data_17950 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17950 _Entry.PDB_ID 2LJN 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 17950 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 GLY N N 2 110.542 110.542 109.691 0.851 17950 2 1 1 . 1 1 2 2 GLY C C 2 173.237 173.237 173.627 -0.390 17950 3 1 1 . 1 1 2 2 GLY CA C 2 44.918 44.918 45.550 -0.632 17950 4 1 1 . 1 1 2 2 GLY H H 2 8.335 8.335 8.439 -0.104 17950 5 1 1 . 1 1 3 3 ALA N N 3 124.917 124.917 123.626 1.291 17950 6 1 1 . 1 1 3 3 ALA HA H 3 4.513 4.513 4.680 -0.167 17950 7 1 1 . 1 1 3 3 ALA CA C 3 50.370 50.370 50.758 -0.388 17950 8 1 1 . 1 1 3 3 ALA CB C 3 18.052 18.052 19.921 -1.869 17950 9 1 1 . 1 1 3 3 ALA H H 3 8.069 8.069 8.071 -0.002 17950 10 1 1 . 1 1 4 4 PRO HA H 4 4.341 4.341 4.390 -0.049 17950 11 1 1 . 1 1 4 4 PRO C C 4 177.068 177.068 175.981 1.087 17950 12 1 1 . 1 1 4 4 PRO CA C 4 63.007 63.007 63.348 -0.341 17950 13 1 1 . 1 1 4 4 PRO CB C 4 32.015 32.015 32.148 -0.133 17950 14 1 1 . 1 1 5 5 LYS N N 5 121.494 121.494 119.714 1.780 17950 15 1 1 . 1 1 5 5 LYS HA H 5 4.180 4.180 4.432 -0.252 17950 16 1 1 . 1 1 5 5 LYS C C 5 176.697 176.697 176.603 0.094 17950 17 1 1 . 1 1 5 5 LYS CA C 5 56.140 56.140 55.594 0.546 17950 18 1 1 . 1 1 5 5 LYS CB C 5 32.871 32.871 32.522 0.349 17950 19 1 1 . 1 1 5 5 LYS H H 5 8.376 8.376 7.685 0.691 17950 20 1 1 . 1 1 6 6 GLN N N 6 121.572 121.572 122.923 -1.351 17950 21 1 1 . 1 1 6 6 GLN HA H 6 4.230 4.230 4.560 -0.330 17950 22 1 1 . 1 1 6 6 GLN C C 6 176.847 176.847 175.231 1.616 17950 23 1 1 . 1 1 6 6 GLN CA C 6 55.634 55.634 55.095 0.539 17950 24 1 1 . 1 1 6 6 GLN CB C 6 29.290 29.290 29.835 -0.545 17950 25 1 1 . 1 1 6 6 GLN H H 6 8.438 8.438 8.525 -0.087 17950 26 1 1 . 1 1 7 7 LYS N N 7 125.757 125.757 118.161 7.596 17950 27 1 1 . 1 1 7 7 LYS HA H 7 4.259 4.259 4.215 0.044 17950 28 1 1 . 1 1 7 7 LYS C C 7 176.770 176.770 175.851 0.919 17950 29 1 1 . 1 1 7 7 LYS CA C 7 56.899 56.899 57.037 -0.138 17950 30 1 1 . 1 1 7 7 LYS CB C 7 32.782 32.782 32.532 0.250 17950 31 1 1 . 1 1 7 7 LYS H H 7 8.500 8.500 8.469 0.031 17950 32 1 1 . 1 1 8 8 TRP N N 8 125.581 125.581 120.088 5.493 17950 33 1 1 . 1 1 8 8 TRP HA H 8 4.504 4.504 4.766 -0.262 17950 34 1 1 . 1 1 8 8 TRP C C 8 177.459 177.459 174.975 2.484 17950 35 1 1 . 1 1 8 8 TRP CA C 8 57.777 57.777 56.062 1.715 17950 36 1 1 . 1 1 8 8 TRP CB C 8 28.836 28.836 31.273 -2.438 17950 37 1 1 . 1 1 8 8 TRP H H 8 8.959 8.959 7.369 1.590 17950 38 1 1 . 1 1 9 9 THR N N 9 115.986 115.986 109.562 6.424 17950 39 1 1 . 1 1 9 9 THR HA H 9 4.759 4.759 4.875 -0.116 17950 40 1 1 . 1 1 9 9 THR CA C 9 59.565 59.565 58.938 0.627 17950 41 1 1 . 1 1 9 9 THR CB C 9 68.786 68.786 70.357 -1.571 17950 42 1 1 . 1 1 9 9 THR H H 9 9.105 9.105 8.300 0.805 17950 43 1 1 . 1 1 10 10 PRO HA H 10 4.369 4.369 4.331 0.038 17950 44 1 1 . 1 1 10 10 PRO C C 10 180.115 180.115 178.694 1.421 17950 45 1 1 . 1 1 10 10 PRO CA C 10 65.387 65.387 65.045 0.342 17950 46 1 1 . 1 1 10 10 PRO CB C 10 31.739 31.739 32.069 -0.330 17950 47 1 1 . 1 1 11 11 GLU N N 11 118.329 118.329 118.992 -0.663 17950 48 1 1 . 1 1 11 11 GLU HA H 11 4.065 4.065 4.029 0.036 17950 49 1 1 . 1 1 11 11 GLU C C 11 180.122 180.122 178.860 1.262 17950 50 1 1 . 1 1 11 11 GLU CA C 11 60.640 60.640 60.545 0.095 17950 51 1 1 . 1 1 11 11 GLU CB C 11 28.680 28.680 29.457 -0.777 17950 52 1 1 . 1 1 11 11 GLU H H 11 9.009 9.009 9.075 -0.066 17950 53 1 1 . 1 1 12 12 GLU N N 12 121.178 121.178 117.991 3.187 17950 54 1 1 . 1 1 12 12 GLU HA H 12 3.857 3.857 3.992 -0.135 17950 55 1 1 . 1 1 12 12 GLU C C 12 179.021 179.021 178.965 0.056 17950 56 1 1 . 1 1 12 12 GLU CA C 12 59.900 59.900 59.055 0.845 17950 57 1 1 . 1 1 12 12 GLU CB C 12 32.276 32.276 29.247 3.029 17950 58 1 1 . 1 1 12 12 GLU H H 12 7.952 7.952 7.947 0.005 17950 59 1 1 . 1 1 13 13 GLU N N 13 118.771 118.771 120.348 -1.577 17950 60 1 1 . 1 1 13 13 GLU HA H 13 3.928 3.928 3.934 -0.006 17950 61 1 1 . 1 1 13 13 GLU C C 13 178.499 178.499 178.934 -0.435 17950 62 1 1 . 1 1 13 13 GLU CA C 13 61.052 61.052 59.282 1.770 17950 63 1 1 . 1 1 13 13 GLU CB C 13 29.552 29.552 29.466 0.086 17950 64 1 1 . 1 1 13 13 GLU H H 13 8.446 8.446 7.467 0.979 17950 65 1 1 . 1 1 14 14 ALA N N 14 120.274 120.274 120.921 -0.647 17950 66 1 1 . 1 1 14 14 ALA HA H 14 4.095 4.095 4.062 0.033 17950 67 1 1 . 1 1 14 14 ALA C C 14 180.719 180.719 179.476 1.243 17950 68 1 1 . 1 1 14 14 ALA CA C 14 55.053 55.053 54.859 0.194 17950 69 1 1 . 1 1 14 14 ALA CB C 14 18.019 18.019 18.153 -0.134 17950 70 1 1 . 1 1 14 14 ALA H H 14 8.434 8.434 8.489 -0.055 17950 71 1 1 . 1 1 15 15 ALA N N 15 122.356 122.356 121.710 0.646 17950 72 1 1 . 1 1 15 15 ALA HA H 15 4.381 4.381 3.599 0.782 17950 73 1 1 . 1 1 15 15 ALA C C 15 178.553 178.553 179.094 -0.541 17950 74 1 1 . 1 1 15 15 ALA CA C 15 54.786 54.786 54.595 0.191 17950 75 1 1 . 1 1 15 15 ALA CB C 15 18.779 18.779 18.058 0.721 17950 76 1 1 . 1 1 15 15 ALA H H 15 7.900 7.900 7.638 0.262 17950 77 1 1 . 1 1 16 16 LEU N N 16 118.626 118.626 119.547 -0.921 17950 78 1 1 . 1 1 16 16 LEU HA H 16 3.921 3.921 3.899 0.022 17950 79 1 1 . 1 1 16 16 LEU C C 16 177.536 177.536 178.593 -1.057 17950 80 1 1 . 1 1 16 16 LEU CA C 16 58.384 58.384 58.167 0.217 17950 81 1 1 . 1 1 16 16 LEU CB C 16 42.189 42.189 42.024 0.165 17950 82 1 1 . 1 1 16 16 LEU H H 16 8.182 8.182 7.668 0.514 17950 83 1 1 . 1 1 17 17 LYS N N 17 117.009 117.009 118.846 -1.837 17950 84 1 1 . 1 1 17 17 LYS HA H 17 3.906 3.906 3.903 0.003 17950 85 1 1 . 1 1 17 17 LYS C C 17 178.796 178.796 178.867 -0.071 17950 86 1 1 . 1 1 17 17 LYS CA C 17 60.496 60.496 59.648 0.848 17950 87 1 1 . 1 1 17 17 LYS CB C 17 32.720 32.720 31.873 0.847 17950 88 1 1 . 1 1 17 17 LYS H H 17 8.029 8.029 7.685 0.344 17950 89 1 1 . 1 1 18 18 ALA N N 18 121.422 121.422 120.846 0.576 17950 90 1 1 . 1 1 18 18 ALA HA H 18 4.021 4.021 4.066 -0.045 17950 91 1 1 . 1 1 18 18 ALA C C 18 180.627 180.627 179.735 0.892 17950 92 1 1 . 1 1 18 18 ALA CA C 18 54.752 54.752 55.037 -0.285 17950 93 1 1 . 1 1 18 18 ALA CB C 18 18.405 18.405 17.945 0.460 17950 94 1 1 . 1 1 18 18 ALA H H 18 8.174 8.174 8.027 0.147 17950 95 1 1 . 1 1 19 19 GLY N N 19 110.862 110.862 106.816 4.046 17950 96 1 1 . 1 1 19 19 GLY C C 19 174.803 174.803 176.120 -1.317 17950 97 1 1 . 1 1 19 19 GLY CA C 19 47.190 47.190 46.933 0.257 17950 98 1 1 . 1 1 19 19 GLY H H 19 8.503 8.503 7.459 1.044 17950 99 1 1 . 1 1 20 20 VAL N N 20 123.677 123.677 122.814 0.863 17950 100 1 1 . 1 1 20 20 VAL HA H 20 3.166 3.166 3.503 -0.337 17950 101 1 1 . 1 1 20 20 VAL C C 20 179.632 179.632 177.476 2.156 17950 102 1 1 . 1 1 20 20 VAL CA C 20 65.603 65.603 65.958 -0.355 17950 103 1 1 . 1 1 20 20 VAL CB C 20 30.946 30.946 31.971 -1.025 17950 104 1 1 . 1 1 20 20 VAL H H 20 8.106 8.106 7.635 0.471 17950 105 1 1 . 1 1 21 21 LEU N N 21 122.348 122.348 118.533 3.815 17950 106 1 1 . 1 1 21 21 LEU HA H 21 3.894 3.894 4.069 -0.175 17950 107 1 1 . 1 1 21 21 LEU C C 21 178.085 178.085 178.736 -0.651 17950 108 1 1 . 1 1 21 21 LEU CA C 21 58.028 58.028 57.412 0.616 17950 109 1 1 . 1 1 21 21 LEU CB C 21 41.401 41.401 42.022 -0.621 17950 110 1 1 . 1 1 21 21 LEU H H 21 7.817 7.817 7.582 0.235 17950 111 1 1 . 1 1 22 22 LYS N N 22 117.663 117.663 117.705 -0.042 17950 112 1 1 . 1 1 22 22 LYS HA H 22 3.837 3.837 4.054 -0.217 17950 113 1 1 . 1 1 22 22 LYS C C 22 177.740 177.740 177.792 -0.052 17950 114 1 1 . 1 1 22 22 LYS CA C 22 59.206 59.206 58.917 0.289 17950 115 1 1 . 1 1 22 22 LYS CB C 22 35.176 35.176 32.546 2.630 17950 116 1 1 . 1 1 22 22 LYS H H 22 7.520 7.520 8.013 -0.493 17950 117 1 1 . 1 1 23 23 HIS N N 23 113.904 113.904 113.837 0.067 17950 118 1 1 . 1 1 23 23 HIS HA H 23 4.625 4.625 4.643 -0.018 17950 119 1 1 . 1 1 23 23 HIS C C 23 176.122 176.122 174.779 1.343 17950 120 1 1 . 1 1 23 23 HIS CA C 23 57.211 57.211 55.983 1.228 17950 121 1 1 . 1 1 23 23 HIS CB C 23 33.414 33.414 33.324 0.090 17950 122 1 1 . 1 1 23 23 HIS H H 23 8.311 8.311 7.760 0.551 17950 123 1 1 . 1 1 24 24 GLY N N 24 110.098 110.098 108.072 2.026 17950 124 1 1 . 1 1 24 24 GLY C C 24 173.041 173.041 172.350 0.691 17950 125 1 1 . 1 1 24 24 GLY CA C 24 43.563 43.563 45.036 -1.473 17950 126 1 1 . 1 1 24 24 GLY H H 24 8.158 8.158 7.454 0.704 17950 127 1 1 . 1 1 25 25 THR N N 25 108.590 108.590 115.580 -6.990 17950 128 1 1 . 1 1 25 25 THR HA H 25 3.123 3.123 3.745 -0.622 17950 129 1 1 . 1 1 25 25 THR C C 25 174.866 174.866 175.942 -1.076 17950 130 1 1 . 1 1 25 25 THR CA C 25 61.992 61.992 63.532 -1.540 17950 131 1 1 . 1 1 25 25 THR CB C 25 69.110 69.110 68.705 0.405 17950 132 1 1 . 1 1 25 25 THR H H 25 7.826 7.826 8.118 -0.292 17950 133 1 1 . 1 1 26 26 GLY N N 26 106.794 106.794 116.099 -9.305 17950 134 1 1 . 1 1 26 26 GLY C C 26 173.988 173.988 174.206 -0.218 17950 135 1 1 . 1 1 26 26 GLY CA C 26 45.639 45.639 44.677 0.962 17950 136 1 1 . 1 1 26 26 GLY H H 26 5.553 5.553 8.299 -2.746 17950 137 1 1 . 1 1 27 27 LYS N N 27 122.617 122.617 121.623 0.994 17950 138 1 1 . 1 1 27 27 LYS HA H 27 4.499 4.499 4.166 0.333 17950 139 1 1 . 1 1 27 27 LYS C C 27 176.586 176.586 176.387 0.199 17950 140 1 1 . 1 1 27 27 LYS CA C 27 53.590 53.590 54.482 -0.892 17950 141 1 1 . 1 1 27 27 LYS CB C 27 30.298 30.298 30.364 -0.066 17950 142 1 1 . 1 1 27 27 LYS H H 27 7.025 7.025 7.552 -0.527 17950 143 1 1 . 1 1 28 28 TRP N N 28 119.816 119.816 120.861 -1.045 17950 144 1 1 . 1 1 28 28 TRP HA H 28 4.130 4.130 4.196 -0.066 17950 145 1 1 . 1 1 28 28 TRP C C 28 178.012 178.012 177.615 0.397 17950 146 1 1 . 1 1 28 28 TRP CA C 28 58.414 58.414 60.965 -2.551 17950 147 1 1 . 1 1 28 28 TRP CB C 28 30.008 30.008 28.088 1.920 17950 148 1 1 . 1 1 28 28 TRP H H 28 6.384 6.384 7.081 -0.697 17950 149 1 1 . 1 1 29 29 ARG N N 29 115.616 115.616 119.209 -3.593 17950 150 1 1 . 1 1 29 29 ARG HA H 29 3.963 3.963 4.102 -0.139 17950 151 1 1 . 1 1 29 29 ARG C C 29 178.821 178.821 178.343 0.478 17950 152 1 1 . 1 1 29 29 ARG CA C 29 59.381 59.381 59.410 -0.029 17950 153 1 1 . 1 1 29 29 ARG CB C 29 29.366 29.366 29.676 -0.310 17950 154 1 1 . 1 1 29 29 ARG H H 29 8.465 8.465 7.945 0.520 17950 155 1 1 . 1 1 30 30 THR N N 30 118.439 118.439 117.412 1.027 17950 156 1 1 . 1 1 30 30 THR HA H 30 3.594 3.594 4.102 -0.508 17950 157 1 1 . 1 1 30 30 THR C C 30 176.351 176.351 176.365 -0.014 17950 158 1 1 . 1 1 30 30 THR CA C 30 66.347 66.347 66.794 -0.448 17950 159 1 1 . 1 1 30 30 THR CB C 30 68.157 68.157 68.572 -0.415 17950 160 1 1 . 1 1 30 30 THR H H 30 7.451 7.451 7.277 0.174 17950 161 1 1 . 1 1 31 31 ILE N N 31 121.530 121.530 121.398 0.132 17950 162 1 1 . 1 1 31 31 ILE HA H 31 3.403 3.403 3.795 -0.392 17950 163 1 1 . 1 1 31 31 ILE C C 31 176.326 176.326 177.177 -0.851 17950 164 1 1 . 1 1 31 31 ILE CA C 31 66.885 66.885 65.461 1.424 17950 165 1 1 . 1 1 31 31 ILE CB C 31 38.320 38.320 37.882 0.438 17950 166 1 1 . 1 1 31 31 ILE H H 31 7.551 7.551 8.450 -0.899 17950 167 1 1 . 1 1 32 32 LEU N N 32 113.721 113.721 118.407 -4.686 17950 168 1 1 . 1 1 32 32 LEU HA H 32 3.871 3.871 4.285 -0.414 17950 169 1 1 . 1 1 32 32 LEU C C 32 177.633 177.633 178.064 -0.431 17950 170 1 1 . 1 1 32 32 LEU CA C 32 56.846 56.846 56.593 0.253 17950 171 1 1 . 1 1 32 32 LEU CB C 32 42.246 42.246 42.787 -0.541 17950 172 1 1 . 1 1 32 32 LEU H H 32 7.317 7.317 8.050 -0.733 17950 173 1 1 . 1 1 33 33 SER N N 33 110.515 110.515 113.602 -3.087 17950 174 1 1 . 1 1 33 33 SER HA H 33 4.442 4.442 4.282 0.160 17950 175 1 1 . 1 1 33 33 SER C C 33 173.479 173.479 174.556 -1.077 17950 176 1 1 . 1 1 33 33 SER CA C 33 58.210 58.210 59.865 -1.655 17950 177 1 1 . 1 1 33 33 SER CB C 33 64.194 64.194 63.272 0.922 17950 178 1 1 . 1 1 33 33 SER H H 33 7.389 7.389 7.595 -0.206 17950 179 1 1 . 1 1 34 34 ASP N N 34 125.920 125.920 122.365 3.555 17950 180 1 1 . 1 1 34 34 ASP HA H 34 4.617 4.617 4.633 -0.017 17950 181 1 1 . 1 1 34 34 ASP C C 34 178.020 178.020 177.253 0.767 17950 182 1 1 . 1 1 34 34 ASP CA C 34 53.652 53.652 54.198 -0.546 17950 183 1 1 . 1 1 34 34 ASP CB C 34 42.056 42.056 41.172 0.884 17950 184 1 1 . 1 1 34 34 ASP H H 34 7.426 7.426 7.958 -0.532 17950 185 1 1 . 1 1 35 35 THR N N 35 122.180 122.180 122.725 -0.545 17950 186 1 1 . 1 1 35 35 THR HA H 35 4.223 4.223 3.915 0.308 17950 187 1 1 . 1 1 35 35 THR C C 35 175.997 175.997 176.057 -0.060 17950 188 1 1 . 1 1 35 35 THR CA C 35 64.686 64.686 65.680 -0.994 17950 189 1 1 . 1 1 35 35 THR CB C 35 68.728 68.728 68.775 -0.047 17950 190 1 1 . 1 1 35 35 THR H H 35 8.689 8.689 8.634 0.055 17950 191 1 1 . 1 1 36 36 GLU N N 36 122.403 122.403 120.404 1.999 17950 192 1 1 . 1 1 36 36 GLU HA H 36 3.698 3.698 3.932 -0.234 17950 193 1 1 . 1 1 36 36 GLU C C 36 177.497 177.497 177.148 0.349 17950 194 1 1 . 1 1 36 36 GLU CA C 36 59.317 59.317 58.617 0.700 17950 195 1 1 . 1 1 36 36 GLU CB C 36 29.107 29.107 29.638 -0.531 17950 196 1 1 . 1 1 36 36 GLU H H 36 8.818 8.818 7.983 0.835 17950 197 1 1 . 1 1 37 37 PHE N N 37 114.348 114.348 114.841 -0.493 17950 198 1 1 . 1 1 37 37 PHE HA H 37 4.857 4.857 4.765 0.092 17950 199 1 1 . 1 1 37 37 PHE C C 37 177.191 177.191 175.008 2.183 17950 200 1 1 . 1 1 37 37 PHE CA C 37 56.463 56.463 56.321 0.143 17950 201 1 1 . 1 1 37 37 PHE CB C 37 41.086 41.086 39.571 1.515 17950 202 1 1 . 1 1 37 37 PHE H H 37 7.477 7.477 7.982 -0.505 17950 203 1 1 . 1 1 38 38 SER N N 38 114.722 114.722 116.386 -1.664 17950 204 1 1 . 1 1 38 38 SER HA H 38 3.822 3.822 4.585 -0.763 17950 205 1 1 . 1 1 38 38 SER C C 38 176.516 176.516 175.627 0.889 17950 206 1 1 . 1 1 38 38 SER CA C 38 61.996 61.996 59.432 2.563 17950 207 1 1 . 1 1 38 38 SER CB C 38 62.761 62.761 64.055 -1.294 17950 208 1 1 . 1 1 38 38 SER H H 38 8.546 8.546 7.742 0.804 17950 209 1 1 . 1 1 39 39 LEU N N 39 121.277 121.277 120.270 1.007 17950 210 1 1 . 1 1 39 39 LEU HA H 39 4.213 4.213 4.172 0.041 17950 211 1 1 . 1 1 39 39 LEU C C 39 179.777 179.777 179.061 0.716 17950 212 1 1 . 1 1 39 39 LEU CA C 39 57.171 57.171 57.539 -0.368 17950 213 1 1 . 1 1 39 39 LEU CB C 39 41.340 41.340 42.349 -1.008 17950 214 1 1 . 1 1 39 39 LEU H H 39 8.115 8.115 7.276 0.839 17950 215 1 1 . 1 1 40 40 ILE N N 40 120.137 120.137 116.703 3.434 17950 216 1 1 . 1 1 40 40 ILE HA H 40 3.701 3.701 4.029 -0.328 17950 217 1 1 . 1 1 40 40 ILE C C 40 178.413 178.413 176.516 1.897 17950 218 1 1 . 1 1 40 40 ILE CA C 40 63.624 63.624 63.215 0.409 17950 219 1 1 . 1 1 40 40 ILE CB C 40 38.778 38.778 38.195 0.583 17950 220 1 1 . 1 1 40 40 ILE H H 40 7.525 7.525 8.086 -0.561 17950 221 1 1 . 1 1 41 41 LEU N N 41 117.023 117.023 117.731 -0.708 17950 222 1 1 . 1 1 41 41 LEU HA H 41 4.406 4.406 4.660 -0.254 17950 223 1 1 . 1 1 41 41 LEU C C 41 176.196 176.196 176.199 -0.003 17950 224 1 1 . 1 1 41 41 LEU CA C 41 54.256 54.256 53.505 0.751 17950 225 1 1 . 1 1 41 41 LEU CB C 41 41.891 41.891 41.135 0.756 17950 226 1 1 . 1 1 41 41 LEU H H 41 7.608 7.608 7.666 -0.058 17950 227 1 1 . 1 1 42 42 LYS N N 42 116.369 116.369 118.451 -2.082 17950 228 1 1 . 1 1 42 42 LYS HA H 42 4.050 4.050 4.226 -0.176 17950 229 1 1 . 1 1 42 42 LYS C C 42 177.139 177.139 177.623 -0.484 17950 230 1 1 . 1 1 42 42 LYS CA C 42 59.111 59.111 57.782 1.329 17950 231 1 1 . 1 1 42 42 LYS CB C 42 32.553 32.553 32.321 0.232 17950 232 1 1 . 1 1 42 42 LYS H H 42 6.645 6.645 7.526 -0.881 17950 233 1 1 . 1 1 43 43 SER N N 43 115.061 115.061 114.275 0.786 17950 234 1 1 . 1 1 43 43 SER HA H 43 4.407 4.407 4.354 0.053 17950 235 1 1 . 1 1 43 43 SER C C 43 173.754 173.754 174.603 -0.849 17950 236 1 1 . 1 1 43 43 SER CA C 43 58.850 58.850 60.144 -1.294 17950 237 1 1 . 1 1 43 43 SER CB C 43 63.117 63.117 63.419 -0.302 17950 238 1 1 . 1 1 43 43 SER H H 43 8.443 8.443 8.431 0.012 17950 239 1 1 . 1 1 44 44 ARG N N 44 119.658 119.658 118.902 0.756 17950 240 1 1 . 1 1 44 44 ARG HA H 44 4.674 4.674 4.562 0.112 17950 241 1 1 . 1 1 44 44 ARG C C 44 174.410 174.410 174.568 -0.158 17950 242 1 1 . 1 1 44 44 ARG CA C 44 52.244 52.244 54.953 -2.709 17950 243 1 1 . 1 1 44 44 ARG CB C 44 31.309 31.309 31.578 -0.269 17950 244 1 1 . 1 1 44 44 ARG H H 44 8.036 8.036 7.961 0.075 17950 245 1 1 . 1 1 45 45 SER N N 45 116.676 116.676 113.093 3.583 17950 246 1 1 . 1 1 45 45 SER HA H 45 4.764 4.764 4.763 0.001 17950 247 1 1 . 1 1 45 45 SER C C 45 175.294 175.294 175.823 -0.529 17950 248 1 1 . 1 1 45 45 SER CA C 45 55.857 55.857 56.087 -0.230 17950 249 1 1 . 1 1 45 45 SER CB C 45 66.828 66.828 65.051 1.777 17950 250 1 1 . 1 1 45 45 SER H H 45 9.180 9.180 8.414 0.766 17950 251 1 1 . 1 1 46 46 ASN N N 46 118.004 118.004 119.996 -1.992 17950 252 1 1 . 1 1 46 46 ASN HA H 46 3.954 3.954 4.519 -0.565 17950 253 1 1 . 1 1 46 46 ASN C C 46 176.356 176.356 177.094 -0.738 17950 254 1 1 . 1 1 46 46 ASN CA C 46 57.734 57.734 55.980 1.754 17950 255 1 1 . 1 1 46 46 ASN CB C 46 36.901 36.901 37.944 -1.043 17950 256 1 1 . 1 1 46 46 ASN H H 46 9.005 9.005 8.836 0.169 17950 257 1 1 . 1 1 47 47 VAL N N 47 119.294 119.294 118.422 0.872 17950 258 1 1 . 1 1 47 47 VAL HA H 47 3.422 3.422 3.570 -0.148 17950 259 1 1 . 1 1 47 47 VAL C C 47 176.899 176.899 177.169 -0.270 17950 260 1 1 . 1 1 47 47 VAL CA C 47 65.439 65.439 65.588 -0.149 17950 261 1 1 . 1 1 47 47 VAL CB C 47 31.863 31.863 31.829 0.034 17950 262 1 1 . 1 1 47 47 VAL H H 47 7.329 7.329 7.954 -0.625 17950 263 1 1 . 1 1 48 48 ASP N N 48 120.297 120.297 119.559 0.738 17950 264 1 1 . 1 1 48 48 ASP HA H 48 4.358 4.358 4.434 -0.076 17950 265 1 1 . 1 1 48 48 ASP C C 48 179.879 179.879 178.341 1.538 17950 266 1 1 . 1 1 48 48 ASP CA C 48 57.162 57.162 57.841 -0.679 17950 267 1 1 . 1 1 48 48 ASP CB C 48 41.040 41.040 40.842 0.198 17950 268 1 1 . 1 1 48 48 ASP H H 48 7.597 7.597 7.727 -0.130 17950 269 1 1 . 1 1 49 49 LEU N N 49 119.624 119.624 120.274 -0.650 17950 270 1 1 . 1 1 49 49 LEU HA H 49 3.824 3.824 4.064 -0.240 17950 271 1 1 . 1 1 49 49 LEU C C 49 176.207 176.207 178.722 -2.515 17950 272 1 1 . 1 1 49 49 LEU CA C 49 59.202 59.202 58.318 0.884 17950 273 1 1 . 1 1 49 49 LEU CB C 49 41.113 41.113 41.691 -0.578 17950 274 1 1 . 1 1 49 49 LEU H H 49 7.835 7.835 7.475 0.360 17950 275 1 1 . 1 1 50 50 LYS N N 50 119.306 119.306 116.716 2.590 17950 276 1 1 . 1 1 50 50 LYS HA H 50 2.427 2.427 4.046 -1.619 17950 277 1 1 . 1 1 50 50 LYS C C 50 178.745 178.745 178.674 0.071 17950 278 1 1 . 1 1 50 50 LYS CA C 50 59.310 59.310 59.246 0.064 17950 279 1 1 . 1 1 50 50 LYS CB C 50 31.906 31.906 31.473 0.433 17950 280 1 1 . 1 1 50 50 LYS H H 50 6.788 6.788 7.692 -0.904 17950 281 1 1 . 1 1 51 51 ASP N N 51 118.721 118.721 120.554 -1.833 17950 282 1 1 . 1 1 51 51 ASP HA H 51 4.167 4.167 4.490 -0.323 17950 283 1 1 . 1 1 51 51 ASP C C 51 178.461 178.461 178.186 0.275 17950 284 1 1 . 1 1 51 51 ASP CA C 51 56.852 56.852 56.645 0.207 17950 285 1 1 . 1 1 51 51 ASP CB C 51 40.475 40.475 40.795 -0.320 17950 286 1 1 . 1 1 51 51 ASP H H 51 8.203 8.203 7.748 0.455 17950 287 1 1 . 1 1 52 52 LYS N N 52 121.009 121.009 120.368 0.641 17950 288 1 1 . 1 1 52 52 LYS HA H 52 3.776 3.776 4.049 -0.273 17950 289 1 1 . 1 1 52 52 LYS C C 52 178.328 178.328 178.790 -0.462 17950 290 1 1 . 1 1 52 52 LYS CA C 52 56.841 56.841 59.706 -2.865 17950 291 1 1 . 1 1 52 52 LYS CB C 52 31.473 31.473 32.347 -0.874 17950 292 1 1 . 1 1 52 52 LYS H H 52 7.842 7.842 8.186 -0.344 17950 293 1 1 . 1 1 53 53 TRP N N 53 119.577 119.577 120.682 -1.105 17950 294 1 1 . 1 1 53 53 TRP HA H 53 4.121 4.121 4.224 -0.103 17950 295 1 1 . 1 1 53 53 TRP C C 53 178.056 178.056 178.147 -0.091 17950 296 1 1 . 1 1 53 53 TRP CA C 53 59.505 59.505 61.020 -1.515 17950 297 1 1 . 1 1 53 53 TRP CB C 53 30.004 30.004 29.650 0.354 17950 298 1 1 . 1 1 53 53 TRP H H 53 8.469 8.469 7.828 0.641 17950 299 1 1 . 1 1 54 54 ARG N N 54 117.607 117.607 119.541 -1.934 17950 300 1 1 . 1 1 54 54 ARG HA H 54 3.721 3.721 4.069 -0.348 17950 301 1 1 . 1 1 54 54 ARG C C 54 177.399 177.399 178.414 -1.015 17950 302 1 1 . 1 1 54 54 ARG CA C 54 59.030 59.030 59.654 -0.625 17950 303 1 1 . 1 1 54 54 ARG CB C 54 29.401 29.401 29.907 -0.506 17950 304 1 1 . 1 1 54 54 ARG H H 54 7.527 7.527 8.017 -0.490 17950 305 1 1 . 1 1 55 55 ASN N N 55 115.552 115.552 117.845 -2.293 17950 306 1 1 . 1 1 55 55 ASN HA H 55 4.387 4.387 4.507 -0.120 17950 307 1 1 . 1 1 55 55 ASN C C 55 176.869 176.869 177.759 -0.890 17950 308 1 1 . 1 1 55 55 ASN CA C 55 55.320 55.320 55.978 -0.658 17950 309 1 1 . 1 1 55 55 ASN CB C 55 39.679 39.679 38.126 1.554 17950 310 1 1 . 1 1 55 55 ASN H H 55 7.242 7.242 7.830 -0.588 17950 311 1 1 . 1 1 56 56 ILE N N 56 117.285 117.285 117.412 -0.127 17950 312 1 1 . 1 1 56 56 ILE HA H 56 3.768 3.768 3.682 0.086 17950 313 1 1 . 1 1 56 56 ILE C C 56 176.781 176.781 176.434 0.347 17950 314 1 1 . 1 1 56 56 ILE CA C 56 62.932 62.932 64.230 -1.298 17950 315 1 1 . 1 1 56 56 ILE CB C 56 38.341 38.341 37.587 0.754 17950 316 1 1 . 1 1 56 56 ILE H H 56 7.760 7.760 7.595 0.165 17950 317 1 1 . 1 1 57 57 SER N N 57 116.184 116.184 114.371 1.813 17950 318 1 1 . 1 1 57 57 SER HA H 57 3.676 3.676 4.069 -0.393 17950 319 1 1 . 1 1 57 57 SER C C 57 174.964 174.964 177.032 -2.068 17950 320 1 1 . 1 1 57 57 SER CA C 57 59.435 59.435 60.616 -1.181 17950 321 1 1 . 1 1 57 57 SER CB C 57 63.062 63.062 63.883 -0.821 17950 322 1 1 . 1 1 57 57 SER H H 57 7.635 7.635 7.242 0.393 17950 323 1 1 . 1 1 58 58 VAL N N 58 119.671 119.671 122.209 -2.538 17950 324 1 1 . 1 1 58 58 VAL HA H 58 3.959 3.959 3.849 0.110 17950 325 1 1 . 1 1 58 58 VAL C C 58 176.787 176.787 177.305 -0.518 17950 326 1 1 . 1 1 58 58 VAL CA C 58 63.249 63.249 65.070 -1.821 17950 327 1 1 . 1 1 58 58 VAL CB C 58 31.964 31.964 31.753 0.211 17950 328 1 1 . 1 1 58 58 VAL H H 58 7.454 7.454 8.306 -0.852 17950 329 1 1 . 1 1 59 59 THR N N 59 114.912 114.912 113.947 0.965 17950 330 1 1 . 1 1 59 59 THR HA H 59 3.924 3.924 4.560 -0.636 17950 331 1 1 . 1 1 59 59 THR C C 59 174.839 174.839 173.365 1.474 17950 332 1 1 . 1 1 59 59 THR CA C 59 62.616 62.616 60.928 1.688 17950 333 1 1 . 1 1 59 59 THR CB C 59 69.358 69.358 67.684 1.674 17950 334 1 1 . 1 1 59 59 THR H H 59 7.681 7.681 7.494 0.187 17950 335 1 1 . 1 1 60 60 ALA N N 60 124.969 124.969 129.706 -4.737 17950 336 1 1 . 1 1 60 60 ALA HA H 60 4.094 4.094 4.427 -0.333 17950 337 1 1 . 1 1 60 60 ALA C C 60 177.636 177.636 177.426 0.210 17950 338 1 1 . 1 1 60 60 ALA CA C 60 52.909 52.909 53.461 -0.552 17950 339 1 1 . 1 1 60 60 ALA CB C 60 18.757 18.757 19.675 -0.918 17950 340 1 1 . 1 1 60 60 ALA H H 60 7.939 7.939 8.271 -0.332 17950 341 1 1 . 1 1 61 61 LEU N N 61 119.572 119.572 114.314 5.258 17950 342 1 1 . 1 1 61 61 LEU HA H 61 4.150 4.150 4.542 -0.392 17950 343 1 1 . 1 1 61 61 LEU C C 61 177.260 177.260 177.180 0.080 17950 344 1 1 . 1 1 61 61 LEU CA C 61 55.183 55.183 54.791 0.392 17950 345 1 1 . 1 1 61 61 LEU CB C 61 41.901 41.901 42.140 -0.239 17950 346 1 1 . 1 1 61 61 LEU H H 61 7.812 7.812 7.744 0.068 17950 347 1 1 . 1 1 62 62 TRP N N 62 120.635 120.635 122.537 -1.902 17950 348 1 1 . 1 1 62 62 TRP HA H 62 4.617 4.617 4.446 0.171 17950 349 1 1 . 1 1 62 62 TRP C C 62 176.752 176.752 177.969 -1.217 17950 350 1 1 . 1 1 62 62 TRP CA C 62 57.262 57.262 59.164 -1.902 17950 351 1 1 . 1 1 62 62 TRP CB C 62 29.579 29.579 29.352 0.227 17950 352 1 1 . 1 1 62 62 TRP H H 62 7.851 7.851 7.793 0.058 17950 353 1 1 . 1 1 63 63 GLY N N 63 110.695 110.695 111.741 -1.046 17950 354 1 1 . 1 1 63 63 GLY C C 63 173.238 173.238 175.173 -1.935 17950 355 1 1 . 1 1 63 63 GLY CA C 63 45.357 45.357 44.587 0.769 17950 356 1 1 . 1 1 63 63 GLY H H 63 8.132 8.132 8.552 -0.420 17950 357 1 2 . 1 1 2 2 GLY N N 2 110.542 110.542 109.263 1.279 17950 358 1 2 . 1 1 2 2 GLY C C 2 173.237 173.237 172.317 0.920 17950 359 1 2 . 1 1 2 2 GLY CA C 2 44.918 44.918 45.274 -0.356 17950 360 1 2 . 1 1 2 2 GLY H H 2 8.335 8.335 8.116 0.219 17950 361 1 2 . 1 1 3 3 ALA N N 3 124.917 124.917 121.995 2.922 17950 362 1 2 . 1 1 3 3 ALA HA H 3 4.513 4.513 4.719 -0.206 17950 363 1 2 . 1 1 3 3 ALA CA C 3 50.370 50.370 51.626 -1.256 17950 364 1 2 . 1 1 3 3 ALA CB C 3 18.052 18.052 19.830 -1.778 17950 365 1 2 . 1 1 3 3 ALA H H 3 8.069 8.069 8.120 -0.051 17950 366 1 2 . 1 1 4 4 PRO HA H 4 4.341 4.341 4.439 -0.098 17950 367 1 2 . 1 1 4 4 PRO C C 4 177.068 177.068 176.681 0.387 17950 368 1 2 . 1 1 4 4 PRO CA C 4 63.007 63.007 63.538 -0.531 17950 369 1 2 . 1 1 4 4 PRO CB C 4 32.015 32.015 32.040 -0.025 17950 370 1 2 . 1 1 5 5 LYS N N 5 121.494 121.494 120.868 0.626 17950 371 1 2 . 1 1 5 5 LYS HA H 5 4.180 4.180 4.329 -0.149 17950 372 1 2 . 1 1 5 5 LYS C C 5 176.697 176.697 176.389 0.308 17950 373 1 2 . 1 1 5 5 LYS CA C 5 56.140 56.140 56.047 0.093 17950 374 1 2 . 1 1 5 5 LYS CB C 5 32.871 32.871 31.488 1.383 17950 375 1 2 . 1 1 5 5 LYS H H 5 8.376 8.376 8.066 0.310 17950 376 1 2 . 1 1 6 6 GLN N N 6 121.572 121.572 122.565 -0.993 17950 377 1 2 . 1 1 6 6 GLN HA H 6 4.230 4.230 4.417 -0.187 17950 378 1 2 . 1 1 6 6 GLN C C 6 176.847 176.847 175.947 0.900 17950 379 1 2 . 1 1 6 6 GLN CA C 6 55.634 55.634 55.632 0.002 17950 380 1 2 . 1 1 6 6 GLN CB C 6 29.290 29.290 30.387 -1.097 17950 381 1 2 . 1 1 6 6 GLN H H 6 8.438 8.438 8.056 0.382 17950 382 1 2 . 1 1 7 7 LYS N N 7 125.757 125.757 121.090 4.667 17950 383 1 2 . 1 1 7 7 LYS HA H 7 4.259 4.259 4.045 0.214 17950 384 1 2 . 1 1 7 7 LYS C C 7 176.770 176.770 175.521 1.249 17950 385 1 2 . 1 1 7 7 LYS CA C 7 56.899 56.899 58.044 -1.145 17950 386 1 2 . 1 1 7 7 LYS CB C 7 32.782 32.782 31.953 0.829 17950 387 1 2 . 1 1 7 7 LYS H H 7 8.500 8.500 8.597 -0.097 17950 388 1 2 . 1 1 8 8 TRP N N 8 125.581 125.581 116.857 8.724 17950 389 1 2 . 1 1 8 8 TRP HA H 8 4.504 4.504 4.877 -0.373 17950 390 1 2 . 1 1 8 8 TRP C C 8 177.459 177.459 176.349 1.110 17950 391 1 2 . 1 1 8 8 TRP CA C 8 57.777 57.777 55.484 2.293 17950 392 1 2 . 1 1 8 8 TRP CB C 8 28.836 28.836 30.482 -1.646 17950 393 1 2 . 1 1 8 8 TRP H H 8 8.959 8.959 7.542 1.417 17950 394 1 2 . 1 1 9 9 THR N N 9 115.986 115.986 110.984 5.002 17950 395 1 2 . 1 1 9 9 THR HA H 9 4.759 4.759 5.018 -0.259 17950 396 1 2 . 1 1 9 9 THR CA C 9 59.565 59.565 58.723 0.842 17950 397 1 2 . 1 1 9 9 THR CB C 9 68.786 68.786 69.361 -0.575 17950 398 1 2 . 1 1 9 9 THR H H 9 9.105 9.105 8.369 0.736 17950 399 1 2 . 1 1 10 10 PRO HA H 10 4.369 4.369 4.615 -0.246 17950 400 1 2 . 1 1 10 10 PRO C C 10 180.115 180.115 178.659 1.456 17950 401 1 2 . 1 1 10 10 PRO CA C 10 65.387 65.387 64.881 0.506 17950 402 1 2 . 1 1 10 10 PRO CB C 10 31.739 31.739 32.203 -0.464 17950 403 1 2 . 1 1 11 11 GLU N N 11 118.329 118.329 119.104 -0.775 17950 404 1 2 . 1 1 11 11 GLU HA H 11 4.065 4.065 4.077 -0.012 17950 405 1 2 . 1 1 11 11 GLU C C 11 180.122 180.122 178.967 1.155 17950 406 1 2 . 1 1 11 11 GLU CA C 11 60.640 60.640 59.833 0.807 17950 407 1 2 . 1 1 11 11 GLU CB C 11 28.680 28.680 29.070 -0.390 17950 408 1 2 . 1 1 11 11 GLU H H 11 9.009 9.009 9.037 -0.028 17950 409 1 2 . 1 1 12 12 GLU N N 12 121.178 121.178 118.784 2.394 17950 410 1 2 . 1 1 12 12 GLU HA H 12 3.857 3.857 3.970 -0.113 17950 411 1 2 . 1 1 12 12 GLU C C 12 179.021 179.021 178.968 0.053 17950 412 1 2 . 1 1 12 12 GLU CA C 12 59.900 59.900 59.414 0.486 17950 413 1 2 . 1 1 12 12 GLU CB C 12 32.276 32.276 29.228 3.048 17950 414 1 2 . 1 1 12 12 GLU H H 12 7.952 7.952 8.020 -0.068 17950 415 1 2 . 1 1 13 13 GLU N N 13 118.771 118.771 120.152 -1.381 17950 416 1 2 . 1 1 13 13 GLU HA H 13 3.928 3.928 3.970 -0.042 17950 417 1 2 . 1 1 13 13 GLU C C 13 178.499 178.499 178.988 -0.489 17950 418 1 2 . 1 1 13 13 GLU CA C 13 61.052 61.052 59.366 1.686 17950 419 1 2 . 1 1 13 13 GLU CB C 13 29.552 29.552 29.501 0.051 17950 420 1 2 . 1 1 13 13 GLU H H 13 8.446 8.446 7.572 0.874 17950 421 1 2 . 1 1 14 14 ALA N N 14 120.274 120.274 121.166 -0.892 17950 422 1 2 . 1 1 14 14 ALA HA H 14 4.095 4.095 4.066 0.029 17950 423 1 2 . 1 1 14 14 ALA C C 14 180.719 180.719 179.661 1.058 17950 424 1 2 . 1 1 14 14 ALA CA C 14 55.053 55.053 54.961 0.092 17950 425 1 2 . 1 1 14 14 ALA CB C 14 18.019 18.019 18.117 -0.098 17950 426 1 2 . 1 1 14 14 ALA H H 14 8.434 8.434 8.121 0.313 17950 427 1 2 . 1 1 15 15 ALA N N 15 122.356 122.356 121.699 0.657 17950 428 1 2 . 1 1 15 15 ALA HA H 15 4.381 4.381 3.848 0.533 17950 429 1 2 . 1 1 15 15 ALA C C 15 178.553 178.553 179.133 -0.580 17950 430 1 2 . 1 1 15 15 ALA CA C 15 54.786 54.786 54.994 -0.208 17950 431 1 2 . 1 1 15 15 ALA CB C 15 18.779 18.779 18.508 0.272 17950 432 1 2 . 1 1 15 15 ALA H H 15 7.900 7.900 7.887 0.013 17950 433 1 2 . 1 1 16 16 LEU N N 16 118.626 118.626 119.574 -0.948 17950 434 1 2 . 1 1 16 16 LEU HA H 16 3.921 3.921 3.951 -0.030 17950 435 1 2 . 1 1 16 16 LEU C C 16 177.536 177.536 178.689 -1.153 17950 436 1 2 . 1 1 16 16 LEU CA C 16 58.384 58.384 58.180 0.204 17950 437 1 2 . 1 1 16 16 LEU CB C 16 42.189 42.189 42.114 0.075 17950 438 1 2 . 1 1 16 16 LEU H H 16 8.182 8.182 8.408 -0.226 17950 439 1 2 . 1 1 17 17 LYS N N 17 117.009 117.009 118.951 -1.942 17950 440 1 2 . 1 1 17 17 LYS HA H 17 3.906 3.906 3.905 0.001 17950 441 1 2 . 1 1 17 17 LYS C C 17 178.796 178.796 178.814 -0.018 17950 442 1 2 . 1 1 17 17 LYS CA C 17 60.496 60.496 59.712 0.783 17950 443 1 2 . 1 1 17 17 LYS CB C 17 32.720 32.720 31.840 0.880 17950 444 1 2 . 1 1 17 17 LYS H H 17 8.029 8.029 8.445 -0.416 17950 445 1 2 . 1 1 18 18 ALA N N 18 121.422 121.422 120.846 0.576 17950 446 1 2 . 1 1 18 18 ALA HA H 18 4.021 4.021 4.016 0.005 17950 447 1 2 . 1 1 18 18 ALA C C 18 180.627 180.627 179.645 0.982 17950 448 1 2 . 1 1 18 18 ALA CA C 18 54.752 54.752 55.038 -0.285 17950 449 1 2 . 1 1 18 18 ALA CB C 18 18.405 18.405 17.919 0.485 17950 450 1 2 . 1 1 18 18 ALA H H 18 8.174 8.174 7.866 0.308 17950 451 1 2 . 1 1 19 19 GLY N N 19 110.862 110.862 106.598 4.264 17950 452 1 2 . 1 1 19 19 GLY C C 19 174.803 174.803 176.161 -1.358 17950 453 1 2 . 1 1 19 19 GLY CA C 19 47.190 47.190 47.050 0.140 17950 454 1 2 . 1 1 19 19 GLY H H 19 8.503 8.503 7.526 0.977 17950 455 1 2 . 1 1 20 20 VAL N N 20 123.677 123.677 122.631 1.046 17950 456 1 2 . 1 1 20 20 VAL HA H 20 3.166 3.166 4.094 -0.928 17950 457 1 2 . 1 1 20 20 VAL C C 20 179.632 179.632 178.092 1.540 17950 458 1 2 . 1 1 20 20 VAL CA C 20 65.603 65.603 65.355 0.248 17950 459 1 2 . 1 1 20 20 VAL CB C 20 30.946 30.946 31.536 -0.590 17950 460 1 2 . 1 1 20 20 VAL H H 20 8.106 8.106 7.681 0.425 17950 461 1 2 . 1 1 21 21 LEU N N 21 122.348 122.348 118.511 3.837 17950 462 1 2 . 1 1 21 21 LEU HA H 21 3.894 3.894 4.092 -0.198 17950 463 1 2 . 1 1 21 21 LEU C C 21 178.085 178.085 178.630 -0.545 17950 464 1 2 . 1 1 21 21 LEU CA C 21 58.028 58.028 57.114 0.914 17950 465 1 2 . 1 1 21 21 LEU CB C 21 41.401 41.401 41.891 -0.490 17950 466 1 2 . 1 1 21 21 LEU H H 21 7.817 7.817 7.667 0.150 17950 467 1 2 . 1 1 22 22 LYS N N 22 117.663 117.663 118.351 -0.688 17950 468 1 2 . 1 1 22 22 LYS HA H 22 3.837 3.837 4.015 -0.178 17950 469 1 2 . 1 1 22 22 LYS C C 22 177.740 177.740 178.526 -0.786 17950 470 1 2 . 1 1 22 22 LYS CA C 22 59.206 59.206 58.666 0.540 17950 471 1 2 . 1 1 22 22 LYS CB C 22 35.176 35.176 32.324 2.852 17950 472 1 2 . 1 1 22 22 LYS H H 22 7.520 7.520 8.076 -0.556 17950 473 1 2 . 1 1 23 23 HIS N N 23 113.904 113.904 113.418 0.486 17950 474 1 2 . 1 1 23 23 HIS HA H 23 4.625 4.625 4.644 -0.019 17950 475 1 2 . 1 1 23 23 HIS C C 23 176.122 176.122 175.621 0.501 17950 476 1 2 . 1 1 23 23 HIS CA C 23 57.211 57.211 57.018 0.193 17950 477 1 2 . 1 1 23 23 HIS CB C 23 33.414 33.414 32.829 0.585 17950 478 1 2 . 1 1 23 23 HIS H H 23 8.311 8.311 7.812 0.499 17950 479 1 2 . 1 1 24 24 GLY N N 24 110.098 110.098 106.415 3.683 17950 480 1 2 . 1 1 24 24 GLY C C 24 173.041 173.041 172.357 0.684 17950 481 1 2 . 1 1 24 24 GLY CA C 24 43.563 43.563 45.094 -1.531 17950 482 1 2 . 1 1 24 24 GLY H H 24 8.158 8.158 7.561 0.597 17950 483 1 2 . 1 1 25 25 THR N N 25 108.590 108.590 111.017 -2.427 17950 484 1 2 . 1 1 25 25 THR HA H 25 3.123 3.123 4.282 -1.159 17950 485 1 2 . 1 1 25 25 THR C C 25 174.866 174.866 175.435 -0.569 17950 486 1 2 . 1 1 25 25 THR CA C 25 61.992 61.992 62.060 -0.068 17950 487 1 2 . 1 1 25 25 THR CB C 25 69.110 69.110 69.772 -0.661 17950 488 1 2 . 1 1 25 25 THR H H 25 7.826 7.826 8.334 -0.508 17950 489 1 2 . 1 1 26 26 GLY N N 26 106.794 106.794 111.243 -4.449 17950 490 1 2 . 1 1 26 26 GLY C C 26 173.988 173.988 174.742 -0.754 17950 491 1 2 . 1 1 26 26 GLY CA C 26 45.639 45.639 45.532 0.107 17950 492 1 2 . 1 1 26 26 GLY H H 26 5.553 5.553 7.979 -2.426 17950 493 1 2 . 1 1 27 27 LYS N N 27 122.617 122.617 120.488 2.129 17950 494 1 2 . 1 1 27 27 LYS HA H 27 4.499 4.499 4.207 0.292 17950 495 1 2 . 1 1 27 27 LYS C C 27 176.586 176.586 176.944 -0.358 17950 496 1 2 . 1 1 27 27 LYS CA C 27 53.590 53.590 54.789 -1.200 17950 497 1 2 . 1 1 27 27 LYS CB C 27 30.298 30.298 30.353 -0.055 17950 498 1 2 . 1 1 27 27 LYS H H 27 7.025 7.025 7.937 -0.912 17950 499 1 2 . 1 1 28 28 TRP N N 28 119.816 119.816 120.496 -0.680 17950 500 1 2 . 1 1 28 28 TRP HA H 28 4.130 4.130 4.265 -0.135 17950 501 1 2 . 1 1 28 28 TRP C C 28 178.012 178.012 177.478 0.534 17950 502 1 2 . 1 1 28 28 TRP CA C 28 58.414 58.414 59.814 -1.400 17950 503 1 2 . 1 1 28 28 TRP CB C 28 30.008 30.008 28.354 1.654 17950 504 1 2 . 1 1 28 28 TRP H H 28 6.384 6.384 7.262 -0.878 17950 505 1 2 . 1 1 29 29 ARG N N 29 115.616 115.616 120.351 -4.735 17950 506 1 2 . 1 1 29 29 ARG HA H 29 3.963 3.963 4.129 -0.166 17950 507 1 2 . 1 1 29 29 ARG C C 29 178.821 178.821 177.957 0.864 17950 508 1 2 . 1 1 29 29 ARG CA C 29 59.381 59.381 58.776 0.605 17950 509 1 2 . 1 1 29 29 ARG CB C 29 29.366 29.366 28.949 0.417 17950 510 1 2 . 1 1 29 29 ARG H H 29 8.465 8.465 7.330 1.135 17950 511 1 2 . 1 1 30 30 THR N N 30 118.439 118.439 116.886 1.553 17950 512 1 2 . 1 1 30 30 THR HA H 30 3.594 3.594 3.899 -0.305 17950 513 1 2 . 1 1 30 30 THR C C 30 176.351 176.351 177.007 -0.656 17950 514 1 2 . 1 1 30 30 THR CA C 30 66.347 66.347 66.783 -0.436 17950 515 1 2 . 1 1 30 30 THR CB C 30 68.157 68.157 68.414 -0.257 17950 516 1 2 . 1 1 30 30 THR H H 30 7.451 7.451 7.639 -0.188 17950 517 1 2 . 1 1 31 31 ILE N N 31 121.530 121.530 120.544 0.986 17950 518 1 2 . 1 1 31 31 ILE HA H 31 3.403 3.403 3.826 -0.423 17950 519 1 2 . 1 1 31 31 ILE C C 31 176.326 176.326 177.282 -0.956 17950 520 1 2 . 1 1 31 31 ILE CA C 31 66.885 66.885 65.249 1.636 17950 521 1 2 . 1 1 31 31 ILE CB C 31 38.320 38.320 37.796 0.524 17950 522 1 2 . 1 1 31 31 ILE H H 31 7.551 7.551 8.293 -0.742 17950 523 1 2 . 1 1 32 32 LEU N N 32 113.721 113.721 118.248 -4.527 17950 524 1 2 . 1 1 32 32 LEU HA H 32 3.871 3.871 4.190 -0.319 17950 525 1 2 . 1 1 32 32 LEU C C 32 177.633 177.633 177.987 -0.354 17950 526 1 2 . 1 1 32 32 LEU CA C 32 56.846 56.846 56.838 0.008 17950 527 1 2 . 1 1 32 32 LEU CB C 32 42.246 42.246 42.291 -0.046 17950 528 1 2 . 1 1 32 32 LEU H H 32 7.317 7.317 7.661 -0.344 17950 529 1 2 . 1 1 33 33 SER N N 33 110.515 110.515 111.946 -1.431 17950 530 1 2 . 1 1 33 33 SER HA H 33 4.442 4.442 4.342 0.100 17950 531 1 2 . 1 1 33 33 SER C C 33 173.479 173.479 174.969 -1.490 17950 532 1 2 . 1 1 33 33 SER CA C 33 58.210 58.210 59.420 -1.210 17950 533 1 2 . 1 1 33 33 SER CB C 33 64.194 64.194 63.887 0.307 17950 534 1 2 . 1 1 33 33 SER H H 33 7.389 7.389 7.649 -0.260 17950 535 1 2 . 1 1 34 34 ASP N N 34 125.920 125.920 122.535 3.385 17950 536 1 2 . 1 1 34 34 ASP HA H 34 4.617 4.617 4.569 0.048 17950 537 1 2 . 1 1 34 34 ASP C C 34 178.020 178.020 177.340 0.680 17950 538 1 2 . 1 1 34 34 ASP CA C 34 53.652 53.652 54.422 -0.770 17950 539 1 2 . 1 1 34 34 ASP CB C 34 42.056 42.056 41.234 0.822 17950 540 1 2 . 1 1 34 34 ASP H H 34 7.426 7.426 7.955 -0.529 17950 541 1 2 . 1 1 35 35 THR N N 35 122.180 122.180 123.301 -1.121 17950 542 1 2 . 1 1 35 35 THR HA H 35 4.223 4.223 3.954 0.269 17950 543 1 2 . 1 1 35 35 THR C C 35 175.997 175.997 175.866 0.131 17950 544 1 2 . 1 1 35 35 THR CA C 35 64.686 64.686 65.174 -0.488 17950 545 1 2 . 1 1 35 35 THR CB C 35 68.728 68.728 68.659 0.069 17950 546 1 2 . 1 1 35 35 THR H H 35 8.689 8.689 8.570 0.119 17950 547 1 2 . 1 1 36 36 GLU N N 36 122.403 122.403 120.309 2.094 17950 548 1 2 . 1 1 36 36 GLU HA H 36 3.698 3.698 3.905 -0.207 17950 549 1 2 . 1 1 36 36 GLU C C 36 177.497 177.497 176.662 0.835 17950 550 1 2 . 1 1 36 36 GLU CA C 36 59.317 59.317 58.067 1.250 17950 551 1 2 . 1 1 36 36 GLU CB C 36 29.107 29.107 29.404 -0.297 17950 552 1 2 . 1 1 36 36 GLU H H 36 8.818 8.818 8.119 0.699 17950 553 1 2 . 1 1 37 37 PHE N N 37 114.348 114.348 115.210 -0.862 17950 554 1 2 . 1 1 37 37 PHE HA H 37 4.857 4.857 4.885 -0.028 17950 555 1 2 . 1 1 37 37 PHE C C 37 177.191 177.191 175.331 1.860 17950 556 1 2 . 1 1 37 37 PHE CA C 37 56.463 56.463 56.043 0.420 17950 557 1 2 . 1 1 37 37 PHE CB C 37 41.086 41.086 39.411 1.675 17950 558 1 2 . 1 1 37 37 PHE H H 37 7.477 7.477 7.753 -0.276 17950 559 1 2 . 1 1 38 38 SER N N 38 114.722 114.722 116.137 -1.415 17950 560 1 2 . 1 1 38 38 SER HA H 38 3.822 3.822 4.428 -0.606 17950 561 1 2 . 1 1 38 38 SER C C 38 176.516 176.516 175.450 1.066 17950 562 1 2 . 1 1 38 38 SER CA C 38 61.996 61.996 60.939 1.057 17950 563 1 2 . 1 1 38 38 SER CB C 38 62.761 62.761 63.697 -0.936 17950 564 1 2 . 1 1 38 38 SER H H 38 8.546 8.546 7.487 1.059 17950 565 1 2 . 1 1 39 39 LEU N N 39 121.277 121.277 120.504 0.773 17950 566 1 2 . 1 1 39 39 LEU HA H 39 4.213 4.213 4.104 0.109 17950 567 1 2 . 1 1 39 39 LEU C C 39 179.777 179.777 179.355 0.422 17950 568 1 2 . 1 1 39 39 LEU CA C 39 57.171 57.171 57.319 -0.148 17950 569 1 2 . 1 1 39 39 LEU CB C 39 41.340 41.340 41.638 -0.298 17950 570 1 2 . 1 1 39 39 LEU H H 39 8.115 8.115 7.632 0.483 17950 571 1 2 . 1 1 40 40 ILE N N 40 120.137 120.137 117.038 3.099 17950 572 1 2 . 1 1 40 40 ILE HA H 40 3.701 3.701 3.944 -0.243 17950 573 1 2 . 1 1 40 40 ILE C C 40 178.413 178.413 176.723 1.690 17950 574 1 2 . 1 1 40 40 ILE CA C 40 63.624 63.624 62.819 0.805 17950 575 1 2 . 1 1 40 40 ILE CB C 40 38.778 38.778 37.079 1.699 17950 576 1 2 . 1 1 40 40 ILE H H 40 7.525 7.525 8.014 -0.489 17950 577 1 2 . 1 1 41 41 LEU N N 41 117.023 117.023 115.235 1.788 17950 578 1 2 . 1 1 41 41 LEU HA H 41 4.406 4.406 4.623 -0.217 17950 579 1 2 . 1 1 41 41 LEU C C 41 176.196 176.196 176.012 0.184 17950 580 1 2 . 1 1 41 41 LEU CA C 41 54.256 54.256 53.244 1.012 17950 581 1 2 . 1 1 41 41 LEU CB C 41 41.891 41.891 41.102 0.788 17950 582 1 2 . 1 1 41 41 LEU H H 41 7.608 7.608 7.569 0.039 17950 583 1 2 . 1 1 42 42 LYS N N 42 116.369 116.369 118.668 -2.299 17950 584 1 2 . 1 1 42 42 LYS HA H 42 4.050 4.050 4.143 -0.093 17950 585 1 2 . 1 1 42 42 LYS C C 42 177.139 177.139 177.622 -0.483 17950 586 1 2 . 1 1 42 42 LYS CA C 42 59.111 59.111 58.290 0.821 17950 587 1 2 . 1 1 42 42 LYS CB C 42 32.553 32.553 32.333 0.220 17950 588 1 2 . 1 1 42 42 LYS H H 42 6.645 6.645 7.252 -0.607 17950 589 1 2 . 1 1 43 43 SER N N 43 115.061 115.061 113.635 1.426 17950 590 1 2 . 1 1 43 43 SER HA H 43 4.407 4.407 4.287 0.120 17950 591 1 2 . 1 1 43 43 SER C C 43 173.754 173.754 174.389 -0.635 17950 592 1 2 . 1 1 43 43 SER CA C 43 58.850 58.850 59.661 -0.811 17950 593 1 2 . 1 1 43 43 SER CB C 43 63.117 63.117 63.396 -0.279 17950 594 1 2 . 1 1 43 43 SER H H 43 8.443 8.443 8.606 -0.163 17950 595 1 2 . 1 1 44 44 ARG N N 44 119.658 119.658 120.008 -0.350 17950 596 1 2 . 1 1 44 44 ARG HA H 44 4.674 4.674 4.553 0.121 17950 597 1 2 . 1 1 44 44 ARG C C 44 174.410 174.410 174.554 -0.144 17950 598 1 2 . 1 1 44 44 ARG CA C 44 52.244 52.244 55.036 -2.792 17950 599 1 2 . 1 1 44 44 ARG CB C 44 31.309 31.309 32.363 -1.054 17950 600 1 2 . 1 1 44 44 ARG H H 44 8.036 8.036 7.796 0.240 17950 601 1 2 . 1 1 45 45 SER N N 45 116.676 116.676 113.590 3.086 17950 602 1 2 . 1 1 45 45 SER HA H 45 4.764 4.764 4.769 -0.005 17950 603 1 2 . 1 1 45 45 SER C C 45 175.294 175.294 175.425 -0.131 17950 604 1 2 . 1 1 45 45 SER CA C 45 55.857 55.857 56.172 -0.315 17950 605 1 2 . 1 1 45 45 SER CB C 45 66.828 66.828 65.642 1.186 17950 606 1 2 . 1 1 45 45 SER H H 45 9.180 9.180 8.229 0.951 17950 607 1 2 . 1 1 46 46 ASN N N 46 118.004 118.004 120.767 -2.763 17950 608 1 2 . 1 1 46 46 ASN HA H 46 3.954 3.954 4.516 -0.562 17950 609 1 2 . 1 1 46 46 ASN C C 46 176.356 176.356 177.023 -0.667 17950 610 1 2 . 1 1 46 46 ASN CA C 46 57.734 57.734 56.196 1.538 17950 611 1 2 . 1 1 46 46 ASN CB C 46 36.901 36.901 37.846 -0.945 17950 612 1 2 . 1 1 46 46 ASN H H 46 9.005 9.005 8.846 0.159 17950 613 1 2 . 1 1 47 47 VAL N N 47 119.294 119.294 119.668 -0.374 17950 614 1 2 . 1 1 47 47 VAL HA H 47 3.422 3.422 3.498 -0.076 17950 615 1 2 . 1 1 47 47 VAL C C 47 176.899 176.899 178.169 -1.270 17950 616 1 2 . 1 1 47 47 VAL CA C 47 65.439 65.439 65.906 -0.467 17950 617 1 2 . 1 1 47 47 VAL CB C 47 31.863 31.863 31.298 0.565 17950 618 1 2 . 1 1 47 47 VAL H H 47 7.329 7.329 7.970 -0.641 17950 619 1 2 . 1 1 48 48 ASP N N 48 120.297 120.297 119.953 0.344 17950 620 1 2 . 1 1 48 48 ASP HA H 48 4.358 4.358 4.486 -0.128 17950 621 1 2 . 1 1 48 48 ASP C C 48 179.879 179.879 178.575 1.304 17950 622 1 2 . 1 1 48 48 ASP CA C 48 57.162 57.162 56.865 0.297 17950 623 1 2 . 1 1 48 48 ASP CB C 48 41.040 41.040 40.480 0.560 17950 624 1 2 . 1 1 48 48 ASP H H 48 7.597 7.597 7.743 -0.146 17950 625 1 2 . 1 1 49 49 LEU N N 49 119.624 119.624 120.278 -0.654 17950 626 1 2 . 1 1 49 49 LEU HA H 49 3.824 3.824 3.998 -0.174 17950 627 1 2 . 1 1 49 49 LEU C C 49 176.207 176.207 178.870 -2.663 17950 628 1 2 . 1 1 49 49 LEU CA C 49 59.202 59.202 58.395 0.807 17950 629 1 2 . 1 1 49 49 LEU CB C 49 41.113 41.113 41.602 -0.489 17950 630 1 2 . 1 1 49 49 LEU H H 49 7.835 7.835 7.611 0.224 17950 631 1 2 . 1 1 50 50 LYS N N 50 119.306 119.306 117.684 1.622 17950 632 1 2 . 1 1 50 50 LYS HA H 50 2.427 2.427 4.042 -1.615 17950 633 1 2 . 1 1 50 50 LYS C C 50 178.745 178.745 178.776 -0.031 17950 634 1 2 . 1 1 50 50 LYS CA C 50 59.310 59.310 59.323 -0.013 17950 635 1 2 . 1 1 50 50 LYS CB C 50 31.906 31.906 31.732 0.174 17950 636 1 2 . 1 1 50 50 LYS H H 50 6.788 6.788 7.915 -1.127 17950 637 1 2 . 1 1 51 51 ASP N N 51 118.721 118.721 120.968 -2.247 17950 638 1 2 . 1 1 51 51 ASP HA H 51 4.167 4.167 4.350 -0.183 17950 639 1 2 . 1 1 51 51 ASP C C 51 178.461 178.461 178.155 0.306 17950 640 1 2 . 1 1 51 51 ASP CA C 51 56.852 56.852 57.183 -0.331 17950 641 1 2 . 1 1 51 51 ASP CB C 51 40.475 40.475 40.699 -0.224 17950 642 1 2 . 1 1 51 51 ASP H H 51 8.203 8.203 7.748 0.455 17950 643 1 2 . 1 1 52 52 LYS N N 52 121.009 121.009 119.541 1.468 17950 644 1 2 . 1 1 52 52 LYS HA H 52 3.776 3.776 3.851 -0.075 17950 645 1 2 . 1 1 52 52 LYS C C 52 178.328 178.328 178.944 -0.616 17950 646 1 2 . 1 1 52 52 LYS CA C 52 56.841 56.841 59.578 -2.737 17950 647 1 2 . 1 1 52 52 LYS CB C 52 31.473 31.473 32.193 -0.720 17950 648 1 2 . 1 1 52 52 LYS H H 52 7.842 7.842 8.094 -0.252 17950 649 1 2 . 1 1 53 53 TRP N N 53 119.577 119.577 120.322 -0.745 17950 650 1 2 . 1 1 53 53 TRP HA H 53 4.121 4.121 4.260 -0.139 17950 651 1 2 . 1 1 53 53 TRP C C 53 178.056 178.056 178.276 -0.220 17950 652 1 2 . 1 1 53 53 TRP CA C 53 59.505 59.505 60.817 -1.312 17950 653 1 2 . 1 1 53 53 TRP CB C 53 30.004 30.004 29.590 0.414 17950 654 1 2 . 1 1 53 53 TRP H H 53 8.469 8.469 7.834 0.635 17950 655 1 2 . 1 1 54 54 ARG N N 54 117.607 117.607 119.158 -1.551 17950 656 1 2 . 1 1 54 54 ARG HA H 54 3.721 3.721 4.049 -0.328 17950 657 1 2 . 1 1 54 54 ARG C C 54 177.399 177.399 178.565 -1.166 17950 658 1 2 . 1 1 54 54 ARG CA C 54 59.030 59.030 59.439 -0.409 17950 659 1 2 . 1 1 54 54 ARG CB C 54 29.401 29.401 29.950 -0.549 17950 660 1 2 . 1 1 54 54 ARG H H 54 7.527 7.527 8.229 -0.702 17950 661 1 2 . 1 1 55 55 ASN N N 55 115.552 115.552 117.874 -2.322 17950 662 1 2 . 1 1 55 55 ASN HA H 55 4.387 4.387 4.567 -0.180 17950 663 1 2 . 1 1 55 55 ASN C C 55 176.869 176.869 177.521 -0.652 17950 664 1 2 . 1 1 55 55 ASN CA C 55 55.320 55.320 56.077 -0.757 17950 665 1 2 . 1 1 55 55 ASN CB C 55 39.679 39.679 38.436 1.243 17950 666 1 2 . 1 1 55 55 ASN H H 55 7.242 7.242 8.285 -1.043 17950 667 1 2 . 1 1 56 56 ILE N N 56 117.285 117.285 117.076 0.209 17950 668 1 2 . 1 1 56 56 ILE HA H 56 3.768 3.768 3.952 -0.184 17950 669 1 2 . 1 1 56 56 ILE C C 56 176.781 176.781 176.078 0.703 17950 670 1 2 . 1 1 56 56 ILE CA C 56 62.932 62.932 63.426 -0.494 17950 671 1 2 . 1 1 56 56 ILE CB C 56 38.341 38.341 38.183 0.158 17950 672 1 2 . 1 1 56 56 ILE H H 56 7.760 7.760 7.418 0.342 17950 673 1 2 . 1 1 57 57 SER N N 57 116.184 116.184 114.250 1.934 17950 674 1 2 . 1 1 57 57 SER HA H 57 3.676 3.676 4.066 -0.390 17950 675 1 2 . 1 1 57 57 SER C C 57 174.964 174.964 176.668 -1.704 17950 676 1 2 . 1 1 57 57 SER CA C 57 59.435 59.435 60.178 -0.743 17950 677 1 2 . 1 1 57 57 SER CB C 57 63.062 63.062 63.682 -0.620 17950 678 1 2 . 1 1 57 57 SER H H 57 7.635 7.635 7.298 0.337 17950 679 1 2 . 1 1 58 58 VAL N N 58 119.671 119.671 122.374 -2.703 17950 680 1 2 . 1 1 58 58 VAL HA H 58 3.959 3.959 3.810 0.149 17950 681 1 2 . 1 1 58 58 VAL C C 58 176.787 176.787 175.525 1.262 17950 682 1 2 . 1 1 58 58 VAL CA C 58 63.249 63.249 65.430 -2.180 17950 683 1 2 . 1 1 58 58 VAL CB C 58 31.964 31.964 32.037 -0.073 17950 684 1 2 . 1 1 58 58 VAL H H 58 7.454 7.454 8.020 -0.566 17950 685 1 2 . 1 1 59 59 THR N N 59 114.912 114.912 107.827 7.085 17950 686 1 2 . 1 1 59 59 THR HA H 59 3.924 3.924 4.490 -0.566 17950 687 1 2 . 1 1 59 59 THR C C 59 174.839 174.839 174.272 0.567 17950 688 1 2 . 1 1 59 59 THR CA C 59 62.616 62.616 61.311 1.305 17950 689 1 2 . 1 1 59 59 THR CB C 59 69.358 69.358 68.778 0.580 17950 690 1 2 . 1 1 59 59 THR H H 59 7.681 7.681 7.572 0.109 17950 691 1 2 . 1 1 60 60 ALA N N 60 124.969 124.969 125.284 -0.315 17950 692 1 2 . 1 1 60 60 ALA HA H 60 4.094 4.094 4.480 -0.386 17950 693 1 2 . 1 1 60 60 ALA C C 60 177.636 177.636 178.127 -0.491 17950 694 1 2 . 1 1 60 60 ALA CA C 60 52.909 52.909 53.981 -1.072 17950 695 1 2 . 1 1 60 60 ALA CB C 60 18.757 18.757 20.121 -1.364 17950 696 1 2 . 1 1 60 60 ALA H H 60 7.939 7.939 8.171 -0.232 17950 697 1 2 . 1 1 61 61 LEU N N 61 119.572 119.572 115.137 4.435 17950 698 1 2 . 1 1 61 61 LEU HA H 61 4.150 4.150 4.598 -0.448 17950 699 1 2 . 1 1 61 61 LEU C C 61 177.260 177.260 177.443 -0.183 17950 700 1 2 . 1 1 61 61 LEU CA C 61 55.183 55.183 54.835 0.348 17950 701 1 2 . 1 1 61 61 LEU CB C 61 41.901 41.901 41.648 0.253 17950 702 1 2 . 1 1 61 61 LEU H H 61 7.812 7.812 7.541 0.271 17950 703 1 2 . 1 1 62 62 TRP N N 62 120.635 120.635 121.167 -0.532 17950 704 1 2 . 1 1 62 62 TRP HA H 62 4.617 4.617 4.510 0.107 17950 705 1 2 . 1 1 62 62 TRP C C 62 176.752 176.752 176.541 0.211 17950 706 1 2 . 1 1 62 62 TRP CA C 62 57.262 57.262 58.001 -0.739 17950 707 1 2 . 1 1 62 62 TRP CB C 62 29.579 29.579 28.281 1.298 17950 708 1 2 . 1 1 62 62 TRP H H 62 7.851 7.851 7.970 -0.119 17950 709 1 2 . 1 1 63 63 GLY N N 63 110.695 110.695 106.989 3.706 17950 710 1 2 . 1 1 63 63 GLY C C 63 173.238 173.238 174.515 -1.277 17950 711 1 2 . 1 1 63 63 GLY CA C 63 45.357 45.357 44.911 0.446 17950 712 1 2 . 1 1 63 63 GLY H H 63 8.132 8.132 7.696 0.436 17950 713 1 3 . 1 1 2 2 GLY N N 2 110.542 110.542 110.471 0.071 17950 714 1 3 . 1 1 2 2 GLY C C 2 173.237 173.237 173.362 -0.125 17950 715 1 3 . 1 1 2 2 GLY CA C 2 44.918 44.918 44.576 0.342 17950 716 1 3 . 1 1 2 2 GLY H H 2 8.335 8.335 8.290 0.045 17950 717 1 3 . 1 1 3 3 ALA N N 3 124.917 124.917 123.050 1.867 17950 718 1 3 . 1 1 3 3 ALA HA H 3 4.513 4.513 4.655 -0.142 17950 719 1 3 . 1 1 3 3 ALA CA C 3 50.370 50.370 51.342 -0.972 17950 720 1 3 . 1 1 3 3 ALA CB C 3 18.052 18.052 20.131 -2.079 17950 721 1 3 . 1 1 3 3 ALA H H 3 8.069 8.069 8.210 -0.141 17950 722 1 3 . 1 1 4 4 PRO HA H 4 4.341 4.341 4.366 -0.025 17950 723 1 3 . 1 1 4 4 PRO C C 4 177.068 177.068 176.668 0.400 17950 724 1 3 . 1 1 4 4 PRO CA C 4 63.007 63.007 63.884 -0.877 17950 725 1 3 . 1 1 4 4 PRO CB C 4 32.015 32.015 32.186 -0.171 17950 726 1 3 . 1 1 5 5 LYS N N 5 121.494 121.494 119.018 2.476 17950 727 1 3 . 1 1 5 5 LYS HA H 5 4.180 4.180 4.596 -0.416 17950 728 1 3 . 1 1 5 5 LYS C C 5 176.697 176.697 176.066 0.631 17950 729 1 3 . 1 1 5 5 LYS CA C 5 56.140 56.140 55.934 0.206 17950 730 1 3 . 1 1 5 5 LYS CB C 5 32.871 32.871 33.048 -0.177 17950 731 1 3 . 1 1 5 5 LYS H H 5 8.376 8.376 7.737 0.639 17950 732 1 3 . 1 1 6 6 GLN N N 6 121.572 121.572 124.435 -2.863 17950 733 1 3 . 1 1 6 6 GLN HA H 6 4.230 4.230 4.258 -0.028 17950 734 1 3 . 1 1 6 6 GLN C C 6 176.847 176.847 175.829 1.018 17950 735 1 3 . 1 1 6 6 GLN CA C 6 55.634 55.634 57.730 -2.096 17950 736 1 3 . 1 1 6 6 GLN CB C 6 29.290 29.290 29.080 0.210 17950 737 1 3 . 1 1 6 6 GLN H H 6 8.438 8.438 8.682 -0.244 17950 738 1 3 . 1 1 7 7 LYS N N 7 125.757 125.757 117.592 8.165 17950 739 1 3 . 1 1 7 7 LYS HA H 7 4.259 4.259 4.259 0.000 17950 740 1 3 . 1 1 7 7 LYS C C 7 176.770 176.770 175.655 1.115 17950 741 1 3 . 1 1 7 7 LYS CA C 7 56.899 56.899 56.335 0.564 17950 742 1 3 . 1 1 7 7 LYS CB C 7 32.782 32.782 32.650 0.132 17950 743 1 3 . 1 1 7 7 LYS H H 7 8.500 8.500 8.139 0.361 17950 744 1 3 . 1 1 8 8 TRP N N 8 125.581 125.581 119.867 5.714 17950 745 1 3 . 1 1 8 8 TRP HA H 8 4.504 4.504 4.797 -0.293 17950 746 1 3 . 1 1 8 8 TRP C C 8 177.459 177.459 175.451 2.008 17950 747 1 3 . 1 1 8 8 TRP CA C 8 57.777 57.777 56.038 1.739 17950 748 1 3 . 1 1 8 8 TRP CB C 8 28.836 28.836 31.262 -2.426 17950 749 1 3 . 1 1 8 8 TRP H H 8 8.959 8.959 7.607 1.352 17950 750 1 3 . 1 1 9 9 THR N N 9 115.986 115.986 110.429 5.557 17950 751 1 3 . 1 1 9 9 THR HA H 9 4.759 4.759 4.964 -0.205 17950 752 1 3 . 1 1 9 9 THR CA C 9 59.565 59.565 59.347 0.218 17950 753 1 3 . 1 1 9 9 THR CB C 9 68.786 68.786 70.786 -2.000 17950 754 1 3 . 1 1 9 9 THR H H 9 9.105 9.105 8.444 0.661 17950 755 1 3 . 1 1 10 10 PRO HA H 10 4.369 4.369 4.913 -0.544 17950 756 1 3 . 1 1 10 10 PRO C C 10 180.115 180.115 178.735 1.380 17950 757 1 3 . 1 1 10 10 PRO CA C 10 65.387 65.387 64.578 0.809 17950 758 1 3 . 1 1 10 10 PRO CB C 10 31.739 31.739 32.213 -0.474 17950 759 1 3 . 1 1 11 11 GLU N N 11 118.329 118.329 118.805 -0.476 17950 760 1 3 . 1 1 11 11 GLU HA H 11 4.065 4.065 4.073 -0.008 17950 761 1 3 . 1 1 11 11 GLU C C 11 180.122 180.122 178.907 1.215 17950 762 1 3 . 1 1 11 11 GLU CA C 11 60.640 60.640 59.977 0.663 17950 763 1 3 . 1 1 11 11 GLU CB C 11 28.680 28.680 29.214 -0.534 17950 764 1 3 . 1 1 11 11 GLU H H 11 9.009 9.009 9.090 -0.081 17950 765 1 3 . 1 1 12 12 GLU N N 12 121.178 121.178 118.439 2.739 17950 766 1 3 . 1 1 12 12 GLU HA H 12 3.857 3.857 4.001 -0.144 17950 767 1 3 . 1 1 12 12 GLU C C 12 179.021 179.021 178.893 0.128 17950 768 1 3 . 1 1 12 12 GLU CA C 12 59.900 59.900 59.310 0.590 17950 769 1 3 . 1 1 12 12 GLU CB C 12 32.276 32.276 29.409 2.867 17950 770 1 3 . 1 1 12 12 GLU H H 12 7.952 7.952 7.806 0.146 17950 771 1 3 . 1 1 13 13 GLU N N 13 118.771 118.771 120.037 -1.266 17950 772 1 3 . 1 1 13 13 GLU HA H 13 3.928 3.928 3.992 -0.064 17950 773 1 3 . 1 1 13 13 GLU C C 13 178.499 178.499 178.938 -0.439 17950 774 1 3 . 1 1 13 13 GLU CA C 13 61.052 61.052 59.251 1.801 17950 775 1 3 . 1 1 13 13 GLU CB C 13 29.552 29.552 29.467 0.085 17950 776 1 3 . 1 1 13 13 GLU H H 13 8.446 8.446 7.619 0.827 17950 777 1 3 . 1 1 14 14 ALA N N 14 120.274 120.274 121.109 -0.835 17950 778 1 3 . 1 1 14 14 ALA HA H 14 4.095 4.095 4.043 0.052 17950 779 1 3 . 1 1 14 14 ALA C C 14 180.719 180.719 179.520 1.199 17950 780 1 3 . 1 1 14 14 ALA CA C 14 55.053 55.053 54.899 0.154 17950 781 1 3 . 1 1 14 14 ALA CB C 14 18.019 18.019 18.114 -0.095 17950 782 1 3 . 1 1 14 14 ALA H H 14 8.434 8.434 8.300 0.134 17950 783 1 3 . 1 1 15 15 ALA N N 15 122.356 122.356 121.584 0.772 17950 784 1 3 . 1 1 15 15 ALA HA H 15 4.381 4.381 2.990 1.391 17950 785 1 3 . 1 1 15 15 ALA C C 15 178.553 178.553 178.788 -0.235 17950 786 1 3 . 1 1 15 15 ALA CA C 15 54.786 54.786 54.360 0.426 17950 787 1 3 . 1 1 15 15 ALA CB C 15 18.779 18.779 18.161 0.618 17950 788 1 3 . 1 1 15 15 ALA H H 15 7.900 7.900 7.797 0.103 17950 789 1 3 . 1 1 16 16 LEU N N 16 118.626 118.626 119.563 -0.937 17950 790 1 3 . 1 1 16 16 LEU HA H 16 3.921 3.921 3.910 0.011 17950 791 1 3 . 1 1 16 16 LEU C C 16 177.536 177.536 178.552 -1.016 17950 792 1 3 . 1 1 16 16 LEU CA C 16 58.384 58.384 58.087 0.297 17950 793 1 3 . 1 1 16 16 LEU CB C 16 42.189 42.189 42.086 0.103 17950 794 1 3 . 1 1 16 16 LEU H H 16 8.182 8.182 7.605 0.577 17950 795 1 3 . 1 1 17 17 LYS N N 17 117.009 117.009 119.081 -2.072 17950 796 1 3 . 1 1 17 17 LYS HA H 17 3.906 3.906 3.943 -0.037 17950 797 1 3 . 1 1 17 17 LYS C C 17 178.796 178.796 178.889 -0.093 17950 798 1 3 . 1 1 17 17 LYS CA C 17 60.496 60.496 59.778 0.718 17950 799 1 3 . 1 1 17 17 LYS CB C 17 32.720 32.720 31.880 0.840 17950 800 1 3 . 1 1 17 17 LYS H H 17 8.029 8.029 8.047 -0.018 17950 801 1 3 . 1 1 18 18 ALA N N 18 121.422 121.422 120.657 0.765 17950 802 1 3 . 1 1 18 18 ALA HA H 18 4.021 4.021 4.117 -0.096 17950 803 1 3 . 1 1 18 18 ALA C C 18 180.627 180.627 179.849 0.778 17950 804 1 3 . 1 1 18 18 ALA CA C 18 54.752 54.752 55.103 -0.351 17950 805 1 3 . 1 1 18 18 ALA CB C 18 18.405 18.405 18.160 0.245 17950 806 1 3 . 1 1 18 18 ALA H H 18 8.174 8.174 7.986 0.188 17950 807 1 3 . 1 1 19 19 GLY N N 19 110.862 110.862 106.944 3.918 17950 808 1 3 . 1 1 19 19 GLY C C 19 174.803 174.803 176.116 -1.313 17950 809 1 3 . 1 1 19 19 GLY CA C 19 47.190 47.190 46.973 0.217 17950 810 1 3 . 1 1 19 19 GLY H H 19 8.503 8.503 7.547 0.956 17950 811 1 3 . 1 1 20 20 VAL N N 20 123.677 123.677 122.839 0.838 17950 812 1 3 . 1 1 20 20 VAL HA H 20 3.166 3.166 3.811 -0.645 17950 813 1 3 . 1 1 20 20 VAL C C 20 179.632 179.632 177.644 1.988 17950 814 1 3 . 1 1 20 20 VAL CA C 20 65.603 65.603 66.329 -0.726 17950 815 1 3 . 1 1 20 20 VAL CB C 20 30.946 30.946 31.996 -1.050 17950 816 1 3 . 1 1 20 20 VAL H H 20 8.106 8.106 7.854 0.252 17950 817 1 3 . 1 1 21 21 LEU N N 21 122.348 122.348 117.835 4.513 17950 818 1 3 . 1 1 21 21 LEU HA H 21 3.894 3.894 4.064 -0.170 17950 819 1 3 . 1 1 21 21 LEU C C 21 178.085 178.085 178.555 -0.470 17950 820 1 3 . 1 1 21 21 LEU CA C 21 58.028 58.028 57.261 0.766 17950 821 1 3 . 1 1 21 21 LEU CB C 21 41.401 41.401 42.105 -0.704 17950 822 1 3 . 1 1 21 21 LEU H H 21 7.817 7.817 7.500 0.317 17950 823 1 3 . 1 1 22 22 LYS N N 22 117.663 117.663 118.150 -0.487 17950 824 1 3 . 1 1 22 22 LYS HA H 22 3.837 3.837 4.032 -0.195 17950 825 1 3 . 1 1 22 22 LYS C C 22 177.740 177.740 178.386 -0.646 17950 826 1 3 . 1 1 22 22 LYS CA C 22 59.206 59.206 58.657 0.549 17950 827 1 3 . 1 1 22 22 LYS CB C 22 35.176 35.176 32.332 2.844 17950 828 1 3 . 1 1 22 22 LYS H H 22 7.520 7.520 7.917 -0.397 17950 829 1 3 . 1 1 23 23 HIS N N 23 113.904 113.904 113.434 0.470 17950 830 1 3 . 1 1 23 23 HIS HA H 23 4.625 4.625 4.636 -0.011 17950 831 1 3 . 1 1 23 23 HIS C C 23 176.122 176.122 175.589 0.533 17950 832 1 3 . 1 1 23 23 HIS CA C 23 57.211 57.211 57.038 0.173 17950 833 1 3 . 1 1 23 23 HIS CB C 23 33.414 33.414 32.966 0.448 17950 834 1 3 . 1 1 23 23 HIS H H 23 8.311 8.311 7.850 0.461 17950 835 1 3 . 1 1 24 24 GLY N N 24 110.098 110.098 106.448 3.650 17950 836 1 3 . 1 1 24 24 GLY C C 24 173.041 173.041 172.730 0.311 17950 837 1 3 . 1 1 24 24 GLY CA C 24 43.563 43.563 45.123 -1.560 17950 838 1 3 . 1 1 24 24 GLY H H 24 8.158 8.158 7.620 0.538 17950 839 1 3 . 1 1 25 25 THR N N 25 108.590 108.590 112.255 -3.665 17950 840 1 3 . 1 1 25 25 THR HA H 25 3.123 3.123 4.089 -0.966 17950 841 1 3 . 1 1 25 25 THR C C 25 174.866 174.866 175.224 -0.358 17950 842 1 3 . 1 1 25 25 THR CA C 25 61.992 61.992 62.053 -0.061 17950 843 1 3 . 1 1 25 25 THR CB C 25 69.110 69.110 69.980 -0.870 17950 844 1 3 . 1 1 25 25 THR H H 25 7.826 7.826 8.261 -0.435 17950 845 1 3 . 1 1 26 26 GLY N N 26 106.794 106.794 109.130 -2.336 17950 846 1 3 . 1 1 26 26 GLY C C 26 173.988 173.988 174.320 -0.332 17950 847 1 3 . 1 1 26 26 GLY CA C 26 45.639 45.639 45.586 0.053 17950 848 1 3 . 1 1 26 26 GLY H H 26 5.553 5.553 7.528 -1.975 17950 849 1 3 . 1 1 27 27 LYS N N 27 122.617 122.617 119.309 3.308 17950 850 1 3 . 1 1 27 27 LYS HA H 27 4.499 4.499 3.998 0.501 17950 851 1 3 . 1 1 27 27 LYS C C 27 176.586 176.586 176.782 -0.196 17950 852 1 3 . 1 1 27 27 LYS CA C 27 53.590 53.590 54.575 -0.985 17950 853 1 3 . 1 1 27 27 LYS CB C 27 30.298 30.298 30.664 -0.366 17950 854 1 3 . 1 1 27 27 LYS H H 27 7.025 7.025 7.567 -0.542 17950 855 1 3 . 1 1 28 28 TRP N N 28 119.816 119.816 120.369 -0.553 17950 856 1 3 . 1 1 28 28 TRP HA H 28 4.130 4.130 4.225 -0.095 17950 857 1 3 . 1 1 28 28 TRP C C 28 178.012 178.012 177.263 0.749 17950 858 1 3 . 1 1 28 28 TRP CA C 28 58.414 58.414 60.483 -2.069 17950 859 1 3 . 1 1 28 28 TRP CB C 28 30.008 30.008 28.136 1.872 17950 860 1 3 . 1 1 28 28 TRP H H 28 6.384 6.384 7.005 -0.621 17950 861 1 3 . 1 1 29 29 ARG N N 29 115.616 115.616 119.818 -4.202 17950 862 1 3 . 1 1 29 29 ARG HA H 29 3.963 3.963 4.054 -0.091 17950 863 1 3 . 1 1 29 29 ARG C C 29 178.821 178.821 178.624 0.197 17950 864 1 3 . 1 1 29 29 ARG CA C 29 59.381 59.381 59.899 -0.518 17950 865 1 3 . 1 1 29 29 ARG CB C 29 29.366 29.366 29.502 -0.136 17950 866 1 3 . 1 1 29 29 ARG H H 29 8.465 8.465 7.814 0.651 17950 867 1 3 . 1 1 30 30 THR N N 30 118.439 118.439 116.469 1.970 17950 868 1 3 . 1 1 30 30 THR HA H 30 3.594 3.594 3.969 -0.375 17950 869 1 3 . 1 1 30 30 THR C C 30 176.351 176.351 176.829 -0.478 17950 870 1 3 . 1 1 30 30 THR CA C 30 66.347 66.347 66.423 -0.076 17950 871 1 3 . 1 1 30 30 THR CB C 30 68.157 68.157 68.480 -0.323 17950 872 1 3 . 1 1 30 30 THR H H 30 7.451 7.451 7.658 -0.207 17950 873 1 3 . 1 1 31 31 ILE N N 31 121.530 121.530 121.875 -0.345 17950 874 1 3 . 1 1 31 31 ILE HA H 31 3.403 3.403 3.813 -0.410 17950 875 1 3 . 1 1 31 31 ILE C C 31 176.326 176.326 177.298 -0.972 17950 876 1 3 . 1 1 31 31 ILE CA C 31 66.885 66.885 65.639 1.246 17950 877 1 3 . 1 1 31 31 ILE CB C 31 38.320 38.320 37.920 0.400 17950 878 1 3 . 1 1 31 31 ILE H H 31 7.551 7.551 8.255 -0.704 17950 879 1 3 . 1 1 32 32 LEU N N 32 113.721 113.721 117.876 -4.155 17950 880 1 3 . 1 1 32 32 LEU HA H 32 3.871 3.871 4.208 -0.337 17950 881 1 3 . 1 1 32 32 LEU C C 32 177.633 177.633 178.526 -0.893 17950 882 1 3 . 1 1 32 32 LEU CA C 32 56.846 56.846 56.887 -0.041 17950 883 1 3 . 1 1 32 32 LEU CB C 32 42.246 42.246 42.733 -0.487 17950 884 1 3 . 1 1 32 32 LEU H H 32 7.317 7.317 8.169 -0.852 17950 885 1 3 . 1 1 33 33 SER N N 33 110.515 110.515 112.960 -2.445 17950 886 1 3 . 1 1 33 33 SER HA H 33 4.442 4.442 4.318 0.124 17950 887 1 3 . 1 1 33 33 SER C C 33 173.479 173.479 174.527 -1.048 17950 888 1 3 . 1 1 33 33 SER CA C 33 58.210 58.210 59.709 -1.499 17950 889 1 3 . 1 1 33 33 SER CB C 33 64.194 64.194 63.692 0.502 17950 890 1 3 . 1 1 33 33 SER H H 33 7.389 7.389 7.806 -0.416 17950 891 1 3 . 1 1 34 34 ASP N N 34 125.920 125.920 122.475 3.445 17950 892 1 3 . 1 1 34 34 ASP HA H 34 4.617 4.617 4.617 0.000 17950 893 1 3 . 1 1 34 34 ASP C C 34 178.020 178.020 177.495 0.525 17950 894 1 3 . 1 1 34 34 ASP CA C 34 53.652 53.652 54.220 -0.568 17950 895 1 3 . 1 1 34 34 ASP CB C 34 42.056 42.056 41.390 0.666 17950 896 1 3 . 1 1 34 34 ASP H H 34 7.426 7.426 7.876 -0.450 17950 897 1 3 . 1 1 35 35 THR N N 35 122.180 122.180 123.107 -0.927 17950 898 1 3 . 1 1 35 35 THR HA H 35 4.223 4.223 3.970 0.253 17950 899 1 3 . 1 1 35 35 THR C C 35 175.997 175.997 175.892 0.105 17950 900 1 3 . 1 1 35 35 THR CA C 35 64.686 64.686 65.975 -1.289 17950 901 1 3 . 1 1 35 35 THR CB C 35 68.728 68.728 68.622 0.106 17950 902 1 3 . 1 1 35 35 THR H H 35 8.689 8.689 8.646 0.043 17950 903 1 3 . 1 1 36 36 GLU N N 36 122.403 122.403 120.561 1.842 17950 904 1 3 . 1 1 36 36 GLU HA H 36 3.698 3.698 3.967 -0.269 17950 905 1 3 . 1 1 36 36 GLU C C 36 177.497 177.497 176.910 0.587 17950 906 1 3 . 1 1 36 36 GLU CA C 36 59.317 59.317 58.348 0.969 17950 907 1 3 . 1 1 36 36 GLU CB C 36 29.107 29.107 29.538 -0.431 17950 908 1 3 . 1 1 36 36 GLU H H 36 8.818 8.818 7.723 1.095 17950 909 1 3 . 1 1 37 37 PHE N N 37 114.348 114.348 115.602 -1.254 17950 910 1 3 . 1 1 37 37 PHE HA H 37 4.857 4.857 4.822 0.035 17950 911 1 3 . 1 1 37 37 PHE C C 37 177.191 177.191 174.803 2.388 17950 912 1 3 . 1 1 37 37 PHE CA C 37 56.463 56.463 56.448 0.015 17950 913 1 3 . 1 1 37 37 PHE CB C 37 41.086 41.086 39.696 1.390 17950 914 1 3 . 1 1 37 37 PHE H H 37 7.477 7.477 8.071 -0.594 17950 915 1 3 . 1 1 38 38 SER N N 38 114.722 114.722 117.146 -2.424 17950 916 1 3 . 1 1 38 38 SER HA H 38 3.822 3.822 4.582 -0.760 17950 917 1 3 . 1 1 38 38 SER C C 38 176.516 176.516 175.852 0.664 17950 918 1 3 . 1 1 38 38 SER CA C 38 61.996 61.996 60.548 1.448 17950 919 1 3 . 1 1 38 38 SER CB C 38 62.761 62.761 63.747 -0.986 17950 920 1 3 . 1 1 38 38 SER H H 38 8.546 8.546 7.660 0.886 17950 921 1 3 . 1 1 39 39 LEU N N 39 121.277 121.277 121.206 0.071 17950 922 1 3 . 1 1 39 39 LEU HA H 39 4.213 4.213 4.091 0.122 17950 923 1 3 . 1 1 39 39 LEU C C 39 179.777 179.777 178.116 1.661 17950 924 1 3 . 1 1 39 39 LEU CA C 39 57.171 57.171 57.804 -0.633 17950 925 1 3 . 1 1 39 39 LEU CB C 39 41.340 41.340 42.212 -0.872 17950 926 1 3 . 1 1 39 39 LEU H H 39 8.115 8.115 7.541 0.574 17950 927 1 3 . 1 1 40 40 ILE N N 40 120.137 120.137 115.765 4.372 17950 928 1 3 . 1 1 40 40 ILE HA H 40 3.701 3.701 4.020 -0.319 17950 929 1 3 . 1 1 40 40 ILE C C 40 178.413 178.413 176.394 2.019 17950 930 1 3 . 1 1 40 40 ILE CA C 40 63.624 63.624 62.914 0.710 17950 931 1 3 . 1 1 40 40 ILE CB C 40 38.778 38.778 38.148 0.630 17950 932 1 3 . 1 1 40 40 ILE H H 40 7.525 7.525 8.042 -0.517 17950 933 1 3 . 1 1 41 41 LEU N N 41 117.023 117.023 116.612 0.411 17950 934 1 3 . 1 1 41 41 LEU HA H 41 4.406 4.406 4.699 -0.293 17950 935 1 3 . 1 1 41 41 LEU C C 41 176.196 176.196 175.972 0.224 17950 936 1 3 . 1 1 41 41 LEU CA C 41 54.256 54.256 53.463 0.793 17950 937 1 3 . 1 1 41 41 LEU CB C 41 41.891 41.891 40.892 0.999 17950 938 1 3 . 1 1 41 41 LEU H H 41 7.608 7.608 7.306 0.302 17950 939 1 3 . 1 1 42 42 LYS N N 42 116.369 116.369 117.420 -1.051 17950 940 1 3 . 1 1 42 42 LYS HA H 42 4.050 4.050 4.299 -0.249 17950 941 1 3 . 1 1 42 42 LYS C C 42 177.139 177.139 177.359 -0.220 17950 942 1 3 . 1 1 42 42 LYS CA C 42 59.111 59.111 57.500 1.611 17950 943 1 3 . 1 1 42 42 LYS CB C 42 32.553 32.553 32.476 0.077 17950 944 1 3 . 1 1 42 42 LYS H H 42 6.645 6.645 7.659 -1.014 17950 945 1 3 . 1 1 43 43 SER N N 43 115.061 115.061 114.891 0.170 17950 946 1 3 . 1 1 43 43 SER HA H 43 4.407 4.407 4.262 0.145 17950 947 1 3 . 1 1 43 43 SER C C 43 173.754 173.754 174.590 -0.836 17950 948 1 3 . 1 1 43 43 SER CA C 43 58.850 58.850 60.235 -1.385 17950 949 1 3 . 1 1 43 43 SER CB C 43 63.117 63.117 63.496 -0.379 17950 950 1 3 . 1 1 43 43 SER H H 43 8.443 8.443 8.568 -0.125 17950 951 1 3 . 1 1 44 44 ARG N N 44 119.658 119.658 119.900 -0.242 17950 952 1 3 . 1 1 44 44 ARG HA H 44 4.674 4.674 4.660 0.014 17950 953 1 3 . 1 1 44 44 ARG C C 44 174.410 174.410 174.595 -0.185 17950 954 1 3 . 1 1 44 44 ARG CA C 44 52.244 52.244 54.164 -1.920 17950 955 1 3 . 1 1 44 44 ARG CB C 44 31.309 31.309 31.756 -0.447 17950 956 1 3 . 1 1 44 44 ARG H H 44 8.036 8.036 7.852 0.184 17950 957 1 3 . 1 1 45 45 SER N N 45 116.676 116.676 113.054 3.622 17950 958 1 3 . 1 1 45 45 SER HA H 45 4.764 4.764 4.741 0.023 17950 959 1 3 . 1 1 45 45 SER C C 45 175.294 175.294 175.463 -0.169 17950 960 1 3 . 1 1 45 45 SER CA C 45 55.857 55.857 55.893 -0.036 17950 961 1 3 . 1 1 45 45 SER CB C 45 66.828 66.828 65.377 1.451 17950 962 1 3 . 1 1 45 45 SER H H 45 9.180 9.180 8.276 0.904 17950 963 1 3 . 1 1 46 46 ASN N N 46 118.004 118.004 120.961 -2.957 17950 964 1 3 . 1 1 46 46 ASN HA H 46 3.954 3.954 4.509 -0.555 17950 965 1 3 . 1 1 46 46 ASN C C 46 176.356 176.356 177.210 -0.854 17950 966 1 3 . 1 1 46 46 ASN CA C 46 57.734 57.734 56.331 1.403 17950 967 1 3 . 1 1 46 46 ASN CB C 46 36.901 36.901 37.698 -0.797 17950 968 1 3 . 1 1 46 46 ASN H H 46 9.005 9.005 8.829 0.176 17950 969 1 3 . 1 1 47 47 VAL N N 47 119.294 119.294 119.914 -0.620 17950 970 1 3 . 1 1 47 47 VAL HA H 47 3.422 3.422 3.585 -0.163 17950 971 1 3 . 1 1 47 47 VAL C C 47 176.899 176.899 177.345 -0.446 17950 972 1 3 . 1 1 47 47 VAL CA C 47 65.439 65.439 65.707 -0.268 17950 973 1 3 . 1 1 47 47 VAL CB C 47 31.863 31.863 31.760 0.103 17950 974 1 3 . 1 1 47 47 VAL H H 47 7.329 7.329 8.002 -0.673 17950 975 1 3 . 1 1 48 48 ASP N N 48 120.297 120.297 119.812 0.485 17950 976 1 3 . 1 1 48 48 ASP HA H 48 4.358 4.358 4.500 -0.142 17950 977 1 3 . 1 1 48 48 ASP C C 48 179.879 179.879 178.688 1.191 17950 978 1 3 . 1 1 48 48 ASP CA C 48 57.162 57.162 57.246 -0.084 17950 979 1 3 . 1 1 48 48 ASP CB C 48 41.040 41.040 40.762 0.278 17950 980 1 3 . 1 1 48 48 ASP H H 48 7.597 7.597 7.846 -0.249 17950 981 1 3 . 1 1 49 49 LEU N N 49 119.624 119.624 120.635 -1.011 17950 982 1 3 . 1 1 49 49 LEU HA H 49 3.824 3.824 4.049 -0.225 17950 983 1 3 . 1 1 49 49 LEU C C 49 176.207 176.207 178.699 -2.492 17950 984 1 3 . 1 1 49 49 LEU CA C 49 59.202 59.202 58.313 0.889 17950 985 1 3 . 1 1 49 49 LEU CB C 49 41.113 41.113 41.679 -0.566 17950 986 1 3 . 1 1 49 49 LEU H H 49 7.835 7.835 7.798 0.037 17950 987 1 3 . 1 1 50 50 LYS N N 50 119.306 119.306 117.716 1.590 17950 988 1 3 . 1 1 50 50 LYS HA H 50 2.427 2.427 4.079 -1.652 17950 989 1 3 . 1 1 50 50 LYS C C 50 178.745 178.745 178.473 0.272 17950 990 1 3 . 1 1 50 50 LYS CA C 50 59.310 59.310 59.386 -0.076 17950 991 1 3 . 1 1 50 50 LYS CB C 50 31.906 31.906 31.375 0.531 17950 992 1 3 . 1 1 50 50 LYS H H 50 6.788 6.788 8.182 -1.394 17950 993 1 3 . 1 1 51 51 ASP N N 51 118.721 118.721 120.791 -2.070 17950 994 1 3 . 1 1 51 51 ASP HA H 51 4.167 4.167 4.332 -0.165 17950 995 1 3 . 1 1 51 51 ASP C C 51 178.461 178.461 178.206 0.255 17950 996 1 3 . 1 1 51 51 ASP CA C 51 56.852 56.852 57.520 -0.668 17950 997 1 3 . 1 1 51 51 ASP CB C 51 40.475 40.475 40.874 -0.399 17950 998 1 3 . 1 1 51 51 ASP H H 51 8.203 8.203 7.783 0.420 17950 999 1 3 . 1 1 52 52 LYS N N 52 121.009 121.009 119.218 1.791 17950 1000 1 3 . 1 1 52 52 LYS HA H 52 3.776 3.776 3.975 -0.199 17950 1001 1 3 . 1 1 52 52 LYS C C 52 178.328 178.328 178.888 -0.560 17950 1002 1 3 . 1 1 52 52 LYS CA C 52 56.841 56.841 59.340 -2.499 17950 1003 1 3 . 1 1 52 52 LYS CB C 52 31.473 31.473 32.128 -0.655 17950 1004 1 3 . 1 1 52 52 LYS H H 52 7.842 7.842 7.959 -0.117 17950 1005 1 3 . 1 1 53 53 TRP N N 53 119.577 119.577 120.869 -1.292 17950 1006 1 3 . 1 1 53 53 TRP HA H 53 4.121 4.121 4.246 -0.125 17950 1007 1 3 . 1 1 53 53 TRP C C 53 178.056 178.056 178.277 -0.221 17950 1008 1 3 . 1 1 53 53 TRP CA C 53 59.505 59.505 60.919 -1.414 17950 1009 1 3 . 1 1 53 53 TRP CB C 53 30.004 30.004 29.587 0.417 17950 1010 1 3 . 1 1 53 53 TRP H H 53 8.469 8.469 7.809 0.660 17950 1011 1 3 . 1 1 54 54 ARG N N 54 117.607 117.607 119.598 -1.991 17950 1012 1 3 . 1 1 54 54 ARG HA H 54 3.721 3.721 3.600 0.121 17950 1013 1 3 . 1 1 54 54 ARG C C 54 177.399 177.399 177.935 -0.536 17950 1014 1 3 . 1 1 54 54 ARG CA C 54 59.030 59.030 59.519 -0.489 17950 1015 1 3 . 1 1 54 54 ARG CB C 54 29.401 29.401 29.897 -0.496 17950 1016 1 3 . 1 1 54 54 ARG H H 54 7.527 7.527 8.356 -0.829 17950 1017 1 3 . 1 1 55 55 ASN N N 55 115.552 115.552 118.121 -2.569 17950 1018 1 3 . 1 1 55 55 ASN HA H 55 4.387 4.387 4.386 0.001 17950 1019 1 3 . 1 1 55 55 ASN C C 55 176.869 176.869 177.915 -1.046 17950 1020 1 3 . 1 1 55 55 ASN CA C 55 55.320 55.320 56.304 -0.984 17950 1021 1 3 . 1 1 55 55 ASN CB C 55 39.679 39.679 38.268 1.411 17950 1022 1 3 . 1 1 55 55 ASN H H 55 7.242 7.242 8.203 -0.961 17950 1023 1 3 . 1 1 56 56 ILE N N 56 117.285 117.285 116.929 0.356 17950 1024 1 3 . 1 1 56 56 ILE HA H 56 3.768 3.768 3.841 -0.073 17950 1025 1 3 . 1 1 56 56 ILE C C 56 176.781 176.781 176.299 0.482 17950 1026 1 3 . 1 1 56 56 ILE CA C 56 62.932 62.932 63.752 -0.820 17950 1027 1 3 . 1 1 56 56 ILE CB C 56 38.341 38.341 38.144 0.197 17950 1028 1 3 . 1 1 56 56 ILE H H 56 7.760 7.760 7.549 0.211 17950 1029 1 3 . 1 1 57 57 SER N N 57 116.184 116.184 113.923 2.261 17950 1030 1 3 . 1 1 57 57 SER HA H 57 3.676 3.676 4.076 -0.400 17950 1031 1 3 . 1 1 57 57 SER C C 57 174.964 174.964 176.407 -1.443 17950 1032 1 3 . 1 1 57 57 SER CA C 57 59.435 59.435 60.625 -1.190 17950 1033 1 3 . 1 1 57 57 SER CB C 57 63.062 63.062 62.509 0.553 17950 1034 1 3 . 1 1 57 57 SER H H 57 7.635 7.635 6.922 0.713 17950 1035 1 3 . 1 1 58 58 VAL N N 58 119.671 119.671 121.521 -1.850 17950 1036 1 3 . 1 1 58 58 VAL HA H 58 3.959 3.959 3.715 0.244 17950 1037 1 3 . 1 1 58 58 VAL C C 58 176.787 176.787 177.305 -0.518 17950 1038 1 3 . 1 1 58 58 VAL CA C 58 63.249 63.249 65.121 -1.872 17950 1039 1 3 . 1 1 58 58 VAL CB C 58 31.964 31.964 31.708 0.256 17950 1040 1 3 . 1 1 58 58 VAL H H 58 7.454 7.454 8.106 -0.652 17950 1041 1 3 . 1 1 59 59 THR N N 59 114.912 114.912 113.199 1.713 17950 1042 1 3 . 1 1 59 59 THR HA H 59 3.924 3.924 4.425 -0.501 17950 1043 1 3 . 1 1 59 59 THR C C 59 174.839 174.839 173.215 1.624 17950 1044 1 3 . 1 1 59 59 THR CA C 59 62.616 62.616 60.595 2.021 17950 1045 1 3 . 1 1 59 59 THR CB C 59 69.358 69.358 67.576 1.782 17950 1046 1 3 . 1 1 59 59 THR H H 59 7.681 7.681 7.590 0.091 17950 1047 1 3 . 1 1 60 60 ALA N N 60 124.969 124.969 127.392 -2.423 17950 1048 1 3 . 1 1 60 60 ALA HA H 60 4.094 4.094 4.562 -0.468 17950 1049 1 3 . 1 1 60 60 ALA C C 60 177.636 177.636 177.941 -0.305 17950 1050 1 3 . 1 1 60 60 ALA CA C 60 52.909 52.909 53.084 -0.175 17950 1051 1 3 . 1 1 60 60 ALA CB C 60 18.757 18.757 19.841 -1.084 17950 1052 1 3 . 1 1 60 60 ALA H H 60 7.939 7.939 7.857 0.082 17950 1053 1 3 . 1 1 61 61 LEU N N 61 119.572 119.572 113.750 5.822 17950 1054 1 3 . 1 1 61 61 LEU HA H 61 4.150 4.150 4.682 -0.532 17950 1055 1 3 . 1 1 61 61 LEU C C 61 177.260 177.260 176.625 0.635 17950 1056 1 3 . 1 1 61 61 LEU CA C 61 55.183 55.183 53.097 2.086 17950 1057 1 3 . 1 1 61 61 LEU CB C 61 41.901 41.901 41.273 0.628 17950 1058 1 3 . 1 1 61 61 LEU H H 61 7.812 7.812 7.695 0.117 17950 1059 1 3 . 1 1 62 62 TRP N N 62 120.635 120.635 122.060 -1.425 17950 1060 1 3 . 1 1 62 62 TRP HA H 62 4.617 4.617 4.418 0.199 17950 1061 1 3 . 1 1 62 62 TRP C C 62 176.752 176.752 176.604 0.148 17950 1062 1 3 . 1 1 62 62 TRP CA C 62 57.262 57.262 57.904 -0.642 17950 1063 1 3 . 1 1 62 62 TRP CB C 62 29.579 29.579 28.820 0.760 17950 1064 1 3 . 1 1 62 62 TRP H H 62 7.851 7.851 7.971 -0.120 17950 1065 1 3 . 1 1 63 63 GLY N N 63 110.695 110.695 113.118 -2.423 17950 1066 1 3 . 1 1 63 63 GLY C C 63 173.238 173.238 175.049 -1.811 17950 1067 1 3 . 1 1 63 63 GLY CA C 63 45.357 45.357 44.712 0.644 17950 1068 1 3 . 1 1 63 63 GLY H H 63 8.132 8.132 8.496 -0.364 17950 1069 1 4 . 1 1 2 2 GLY N N 2 110.542 110.542 110.383 0.159 17950 1070 1 4 . 1 1 2 2 GLY C C 2 173.237 173.237 173.284 -0.047 17950 1071 1 4 . 1 1 2 2 GLY CA C 2 44.918 44.918 45.011 -0.094 17950 1072 1 4 . 1 1 2 2 GLY H H 2 8.335 8.335 9.041 -0.706 17950 1073 1 4 . 1 1 3 3 ALA N N 3 124.917 124.917 122.205 2.712 17950 1074 1 4 . 1 1 3 3 ALA HA H 3 4.513 4.513 4.636 -0.123 17950 1075 1 4 . 1 1 3 3 ALA CA C 3 50.370 50.370 51.199 -0.829 17950 1076 1 4 . 1 1 3 3 ALA CB C 3 18.052 18.052 19.249 -1.197 17950 1077 1 4 . 1 1 3 3 ALA H H 3 8.069 8.069 8.235 -0.166 17950 1078 1 4 . 1 1 4 4 PRO HA H 4 4.341 4.341 4.466 -0.125 17950 1079 1 4 . 1 1 4 4 PRO C C 4 177.068 177.068 176.818 0.250 17950 1080 1 4 . 1 1 4 4 PRO CA C 4 63.007 63.007 62.434 0.572 17950 1081 1 4 . 1 1 4 4 PRO CB C 4 32.015 32.015 32.113 -0.098 17950 1082 1 4 . 1 1 5 5 LYS N N 5 121.494 121.494 116.336 5.158 17950 1083 1 4 . 1 1 5 5 LYS HA H 5 4.180 4.180 4.045 0.135 17950 1084 1 4 . 1 1 5 5 LYS C C 5 176.697 176.697 176.453 0.244 17950 1085 1 4 . 1 1 5 5 LYS CA C 5 56.140 56.140 57.240 -1.100 17950 1086 1 4 . 1 1 5 5 LYS CB C 5 32.871 32.871 30.476 2.395 17950 1087 1 4 . 1 1 5 5 LYS H H 5 8.376 8.376 8.668 -0.292 17950 1088 1 4 . 1 1 6 6 GLN N N 6 121.572 121.572 117.866 3.706 17950 1089 1 4 . 1 1 6 6 GLN HA H 6 4.230 4.230 4.330 -0.100 17950 1090 1 4 . 1 1 6 6 GLN C C 6 176.847 176.847 175.777 1.070 17950 1091 1 4 . 1 1 6 6 GLN CA C 6 55.634 55.634 56.656 -1.022 17950 1092 1 4 . 1 1 6 6 GLN CB C 6 29.290 29.290 29.739 -0.449 17950 1093 1 4 . 1 1 6 6 GLN H H 6 8.438 8.438 8.455 -0.017 17950 1094 1 4 . 1 1 7 7 LYS N N 7 125.757 125.757 119.154 6.603 17950 1095 1 4 . 1 1 7 7 LYS HA H 7 4.259 4.259 4.360 -0.101 17950 1096 1 4 . 1 1 7 7 LYS C C 7 176.770 176.770 175.315 1.455 17950 1097 1 4 . 1 1 7 7 LYS CA C 7 56.899 56.899 55.187 1.712 17950 1098 1 4 . 1 1 7 7 LYS CB C 7 32.782 32.782 32.822 -0.040 17950 1099 1 4 . 1 1 7 7 LYS H H 7 8.500 8.500 7.709 0.791 17950 1100 1 4 . 1 1 8 8 TRP N N 8 125.581 125.581 121.082 4.499 17950 1101 1 4 . 1 1 8 8 TRP HA H 8 4.504 4.504 4.562 -0.058 17950 1102 1 4 . 1 1 8 8 TRP C C 8 177.459 177.459 176.163 1.296 17950 1103 1 4 . 1 1 8 8 TRP CA C 8 57.777 57.777 57.386 0.391 17950 1104 1 4 . 1 1 8 8 TRP CB C 8 28.836 28.836 29.603 -0.767 17950 1105 1 4 . 1 1 8 8 TRP H H 8 8.959 8.959 7.860 1.099 17950 1106 1 4 . 1 1 9 9 THR N N 9 115.986 115.986 110.504 5.482 17950 1107 1 4 . 1 1 9 9 THR HA H 9 4.759 4.759 4.801 -0.042 17950 1108 1 4 . 1 1 9 9 THR CA C 9 59.565 59.565 59.159 0.406 17950 1109 1 4 . 1 1 9 9 THR CB C 9 68.786 68.786 70.504 -1.718 17950 1110 1 4 . 1 1 9 9 THR H H 9 9.105 9.105 8.344 0.761 17950 1111 1 4 . 1 1 10 10 PRO HA H 10 4.369 4.369 4.534 -0.165 17950 1112 1 4 . 1 1 10 10 PRO C C 10 180.115 180.115 178.869 1.246 17950 1113 1 4 . 1 1 10 10 PRO CA C 10 65.387 65.387 65.068 0.319 17950 1114 1 4 . 1 1 10 10 PRO CB C 10 31.739 31.739 32.267 -0.528 17950 1115 1 4 . 1 1 11 11 GLU N N 11 118.329 118.329 118.938 -0.609 17950 1116 1 4 . 1 1 11 11 GLU HA H 11 4.065 4.065 4.034 0.031 17950 1117 1 4 . 1 1 11 11 GLU C C 11 180.122 180.122 178.842 1.280 17950 1118 1 4 . 1 1 11 11 GLU CA C 11 60.640 60.640 60.299 0.341 17950 1119 1 4 . 1 1 11 11 GLU CB C 11 28.680 28.680 29.413 -0.733 17950 1120 1 4 . 1 1 11 11 GLU H H 11 9.009 9.009 9.061 -0.052 17950 1121 1 4 . 1 1 12 12 GLU N N 12 121.178 121.178 118.571 2.607 17950 1122 1 4 . 1 1 12 12 GLU HA H 12 3.857 3.857 4.016 -0.159 17950 1123 1 4 . 1 1 12 12 GLU C C 12 179.021 179.021 178.972 0.049 17950 1124 1 4 . 1 1 12 12 GLU CA C 12 59.900 59.900 59.415 0.485 17950 1125 1 4 . 1 1 12 12 GLU CB C 12 32.276 32.276 29.387 2.889 17950 1126 1 4 . 1 1 12 12 GLU H H 12 7.952 7.952 8.017 -0.065 17950 1127 1 4 . 1 1 13 13 GLU N N 13 118.771 118.771 119.316 -0.545 17950 1128 1 4 . 1 1 13 13 GLU HA H 13 3.928 3.928 4.046 -0.118 17950 1129 1 4 . 1 1 13 13 GLU C C 13 178.499 178.499 178.984 -0.485 17950 1130 1 4 . 1 1 13 13 GLU CA C 13 61.052 61.052 59.322 1.730 17950 1131 1 4 . 1 1 13 13 GLU CB C 13 29.552 29.552 29.472 0.080 17950 1132 1 4 . 1 1 13 13 GLU H H 13 8.446 8.446 7.633 0.813 17950 1133 1 4 . 1 1 14 14 ALA N N 14 120.274 120.274 121.076 -0.802 17950 1134 1 4 . 1 1 14 14 ALA HA H 14 4.095 4.095 4.143 -0.048 17950 1135 1 4 . 1 1 14 14 ALA C C 14 180.719 180.719 179.734 0.985 17950 1136 1 4 . 1 1 14 14 ALA CA C 14 55.053 55.053 54.950 0.103 17950 1137 1 4 . 1 1 14 14 ALA CB C 14 18.019 18.019 18.263 -0.244 17950 1138 1 4 . 1 1 14 14 ALA H H 14 8.434 8.434 8.291 0.143 17950 1139 1 4 . 1 1 15 15 ALA N N 15 122.356 122.356 121.948 0.408 17950 1140 1 4 . 1 1 15 15 ALA HA H 15 4.381 4.381 4.191 0.190 17950 1141 1 4 . 1 1 15 15 ALA C C 15 178.553 178.553 179.306 -0.753 17950 1142 1 4 . 1 1 15 15 ALA CA C 15 54.786 54.786 54.818 -0.032 17950 1143 1 4 . 1 1 15 15 ALA CB C 15 18.779 18.779 18.374 0.405 17950 1144 1 4 . 1 1 15 15 ALA H H 15 7.900 7.900 7.927 -0.027 17950 1145 1 4 . 1 1 16 16 LEU N N 16 118.626 118.626 119.773 -1.147 17950 1146 1 4 . 1 1 16 16 LEU HA H 16 3.921 3.921 3.859 0.062 17950 1147 1 4 . 1 1 16 16 LEU C C 16 177.536 177.536 178.611 -1.075 17950 1148 1 4 . 1 1 16 16 LEU CA C 16 58.384 58.384 58.292 0.092 17950 1149 1 4 . 1 1 16 16 LEU CB C 16 42.189 42.189 42.055 0.134 17950 1150 1 4 . 1 1 16 16 LEU H H 16 8.182 8.182 8.129 0.053 17950 1151 1 4 . 1 1 17 17 LYS N N 17 117.009 117.009 118.598 -1.589 17950 1152 1 4 . 1 1 17 17 LYS HA H 17 3.906 3.906 3.804 0.102 17950 1153 1 4 . 1 1 17 17 LYS C C 17 178.796 178.796 178.731 0.065 17950 1154 1 4 . 1 1 17 17 LYS CA C 17 60.496 60.496 59.525 0.971 17950 1155 1 4 . 1 1 17 17 LYS CB C 17 32.720 32.720 31.872 0.848 17950 1156 1 4 . 1 1 17 17 LYS H H 17 8.029 8.029 7.737 0.292 17950 1157 1 4 . 1 1 18 18 ALA N N 18 121.422 121.422 119.986 1.436 17950 1158 1 4 . 1 1 18 18 ALA HA H 18 4.021 4.021 4.030 -0.009 17950 1159 1 4 . 1 1 18 18 ALA C C 18 180.627 180.627 179.539 1.088 17950 1160 1 4 . 1 1 18 18 ALA CA C 18 54.752 54.752 54.689 0.063 17950 1161 1 4 . 1 1 18 18 ALA CB C 18 18.405 18.405 17.873 0.532 17950 1162 1 4 . 1 1 18 18 ALA H H 18 8.174 8.174 7.804 0.370 17950 1163 1 4 . 1 1 19 19 GLY N N 19 110.862 110.862 106.899 3.963 17950 1164 1 4 . 1 1 19 19 GLY C C 19 174.803 174.803 175.913 -1.110 17950 1165 1 4 . 1 1 19 19 GLY CA C 19 47.190 47.190 46.654 0.536 17950 1166 1 4 . 1 1 19 19 GLY H H 19 8.503 8.503 7.318 1.185 17950 1167 1 4 . 1 1 20 20 VAL N N 20 123.677 123.677 122.812 0.865 17950 1168 1 4 . 1 1 20 20 VAL HA H 20 3.166 3.166 3.490 -0.324 17950 1169 1 4 . 1 1 20 20 VAL C C 20 179.632 179.632 177.480 2.152 17950 1170 1 4 . 1 1 20 20 VAL CA C 20 65.603 65.603 65.899 -0.296 17950 1171 1 4 . 1 1 20 20 VAL CB C 20 30.946 30.946 31.423 -0.477 17950 1172 1 4 . 1 1 20 20 VAL H H 20 8.106 8.106 7.396 0.710 17950 1173 1 4 . 1 1 21 21 LEU N N 21 122.348 122.348 118.382 3.966 17950 1174 1 4 . 1 1 21 21 LEU HA H 21 3.894 3.894 3.939 -0.045 17950 1175 1 4 . 1 1 21 21 LEU C C 21 178.085 178.085 178.433 -0.348 17950 1176 1 4 . 1 1 21 21 LEU CA C 21 58.028 58.028 57.219 0.809 17950 1177 1 4 . 1 1 21 21 LEU CB C 21 41.401 41.401 41.863 -0.462 17950 1178 1 4 . 1 1 21 21 LEU H H 21 7.817 7.817 7.458 0.359 17950 1179 1 4 . 1 1 22 22 LYS N N 22 117.663 117.663 117.951 -0.288 17950 1180 1 4 . 1 1 22 22 LYS HA H 22 3.837 3.837 3.970 -0.133 17950 1181 1 4 . 1 1 22 22 LYS C C 22 177.740 177.740 178.060 -0.320 17950 1182 1 4 . 1 1 22 22 LYS CA C 22 59.206 59.206 58.682 0.524 17950 1183 1 4 . 1 1 22 22 LYS CB C 22 35.176 35.176 32.250 2.926 17950 1184 1 4 . 1 1 22 22 LYS H H 22 7.520 7.520 7.459 0.061 17950 1185 1 4 . 1 1 23 23 HIS N N 23 113.904 113.904 114.412 -0.508 17950 1186 1 4 . 1 1 23 23 HIS HA H 23 4.625 4.625 4.634 -0.009 17950 1187 1 4 . 1 1 23 23 HIS C C 23 176.122 176.122 175.054 1.068 17950 1188 1 4 . 1 1 23 23 HIS CA C 23 57.211 57.211 55.947 1.264 17950 1189 1 4 . 1 1 23 23 HIS CB C 23 33.414 33.414 33.178 0.236 17950 1190 1 4 . 1 1 23 23 HIS H H 23 8.311 8.311 7.593 0.718 17950 1191 1 4 . 1 1 24 24 GLY N N 24 110.098 110.098 108.320 1.778 17950 1192 1 4 . 1 1 24 24 GLY C C 24 173.041 173.041 172.246 0.795 17950 1193 1 4 . 1 1 24 24 GLY CA C 24 43.563 43.563 44.968 -1.405 17950 1194 1 4 . 1 1 24 24 GLY H H 24 8.158 8.158 7.339 0.819 17950 1195 1 4 . 1 1 25 25 THR N N 25 108.590 108.590 115.231 -6.641 17950 1196 1 4 . 1 1 25 25 THR HA H 25 3.123 3.123 3.684 -0.561 17950 1197 1 4 . 1 1 25 25 THR C C 25 174.866 174.866 175.631 -0.765 17950 1198 1 4 . 1 1 25 25 THR CA C 25 61.992 61.992 63.681 -1.689 17950 1199 1 4 . 1 1 25 25 THR CB C 25 69.110 69.110 68.963 0.147 17950 1200 1 4 . 1 1 25 25 THR H H 25 7.826 7.826 8.247 -0.421 17950 1201 1 4 . 1 1 26 26 GLY N N 26 106.794 106.794 115.135 -8.341 17950 1202 1 4 . 1 1 26 26 GLY C C 26 173.988 173.988 174.639 -0.651 17950 1203 1 4 . 1 1 26 26 GLY CA C 26 45.639 45.639 44.963 0.676 17950 1204 1 4 . 1 1 26 26 GLY H H 26 5.553 5.553 8.374 -2.821 17950 1205 1 4 . 1 1 27 27 LYS N N 27 122.617 122.617 121.577 1.040 17950 1206 1 4 . 1 1 27 27 LYS HA H 27 4.499 4.499 4.141 0.358 17950 1207 1 4 . 1 1 27 27 LYS C C 27 176.586 176.586 176.385 0.201 17950 1208 1 4 . 1 1 27 27 LYS CA C 27 53.590 53.590 54.499 -0.909 17950 1209 1 4 . 1 1 27 27 LYS CB C 27 30.298 30.298 30.328 -0.030 17950 1210 1 4 . 1 1 27 27 LYS H H 27 7.025 7.025 7.513 -0.488 17950 1211 1 4 . 1 1 28 28 TRP N N 28 119.816 119.816 121.283 -1.467 17950 1212 1 4 . 1 1 28 28 TRP HA H 28 4.130 4.130 4.207 -0.077 17950 1213 1 4 . 1 1 28 28 TRP C C 28 178.012 178.012 177.742 0.270 17950 1214 1 4 . 1 1 28 28 TRP CA C 28 58.414 58.414 60.938 -2.524 17950 1215 1 4 . 1 1 28 28 TRP CB C 28 30.008 30.008 28.186 1.822 17950 1216 1 4 . 1 1 28 28 TRP H H 28 6.384 6.384 7.114 -0.730 17950 1217 1 4 . 1 1 29 29 ARG N N 29 115.616 115.616 119.015 -3.399 17950 1218 1 4 . 1 1 29 29 ARG HA H 29 3.963 3.963 4.185 -0.222 17950 1219 1 4 . 1 1 29 29 ARG C C 29 178.821 178.821 178.392 0.429 17950 1220 1 4 . 1 1 29 29 ARG CA C 29 59.381 59.381 59.086 0.295 17950 1221 1 4 . 1 1 29 29 ARG CB C 29 29.366 29.366 29.160 0.206 17950 1222 1 4 . 1 1 29 29 ARG H H 29 8.465 8.465 7.968 0.497 17950 1223 1 4 . 1 1 30 30 THR N N 30 118.439 118.439 117.219 1.220 17950 1224 1 4 . 1 1 30 30 THR HA H 30 3.594 3.594 4.054 -0.460 17950 1225 1 4 . 1 1 30 30 THR C C 30 176.351 176.351 176.699 -0.348 17950 1226 1 4 . 1 1 30 30 THR CA C 30 66.347 66.347 66.044 0.303 17950 1227 1 4 . 1 1 30 30 THR CB C 30 68.157 68.157 68.313 -0.156 17950 1228 1 4 . 1 1 30 30 THR H H 30 7.451 7.451 7.068 0.383 17950 1229 1 4 . 1 1 31 31 ILE N N 31 121.530 121.530 121.735 -0.205 17950 1230 1 4 . 1 1 31 31 ILE HA H 31 3.403 3.403 3.704 -0.301 17950 1231 1 4 . 1 1 31 31 ILE C C 31 176.326 176.326 177.401 -1.075 17950 1232 1 4 . 1 1 31 31 ILE CA C 31 66.885 66.885 65.292 1.593 17950 1233 1 4 . 1 1 31 31 ILE CB C 31 38.320 38.320 37.738 0.582 17950 1234 1 4 . 1 1 31 31 ILE H H 31 7.551 7.551 8.472 -0.921 17950 1235 1 4 . 1 1 32 32 LEU N N 32 113.721 113.721 117.852 -4.131 17950 1236 1 4 . 1 1 32 32 LEU HA H 32 3.871 3.871 4.236 -0.365 17950 1237 1 4 . 1 1 32 32 LEU C C 32 177.633 177.633 178.078 -0.445 17950 1238 1 4 . 1 1 32 32 LEU CA C 32 56.846 56.846 56.788 0.058 17950 1239 1 4 . 1 1 32 32 LEU CB C 32 42.246 42.246 42.447 -0.201 17950 1240 1 4 . 1 1 32 32 LEU H H 32 7.317 7.317 7.913 -0.596 17950 1241 1 4 . 1 1 33 33 SER N N 33 110.515 110.515 112.572 -2.057 17950 1242 1 4 . 1 1 33 33 SER HA H 33 4.442 4.442 4.334 0.108 17950 1243 1 4 . 1 1 33 33 SER C C 33 173.479 173.479 175.034 -1.555 17950 1244 1 4 . 1 1 33 33 SER CA C 33 58.210 58.210 59.485 -1.275 17950 1245 1 4 . 1 1 33 33 SER CB C 33 64.194 64.194 63.697 0.497 17950 1246 1 4 . 1 1 33 33 SER H H 33 7.389 7.389 7.510 -0.121 17950 1247 1 4 . 1 1 34 34 ASP N N 34 125.920 125.920 122.786 3.134 17950 1248 1 4 . 1 1 34 34 ASP HA H 34 4.617 4.617 4.641 -0.024 17950 1249 1 4 . 1 1 34 34 ASP C C 34 178.020 178.020 177.534 0.486 17950 1250 1 4 . 1 1 34 34 ASP CA C 34 53.652 53.652 54.382 -0.730 17950 1251 1 4 . 1 1 34 34 ASP CB C 34 42.056 42.056 41.164 0.892 17950 1252 1 4 . 1 1 34 34 ASP H H 34 7.426 7.426 8.052 -0.626 17950 1253 1 4 . 1 1 35 35 THR N N 35 122.180 122.180 123.138 -0.958 17950 1254 1 4 . 1 1 35 35 THR HA H 35 4.223 4.223 3.968 0.255 17950 1255 1 4 . 1 1 35 35 THR C C 35 175.997 175.997 176.220 -0.223 17950 1256 1 4 . 1 1 35 35 THR CA C 35 64.686 64.686 65.750 -1.064 17950 1257 1 4 . 1 1 35 35 THR CB C 35 68.728 68.728 68.724 0.004 17950 1258 1 4 . 1 1 35 35 THR H H 35 8.689 8.689 8.581 0.108 17950 1259 1 4 . 1 1 36 36 GLU N N 36 122.403 122.403 121.319 1.084 17950 1260 1 4 . 1 1 36 36 GLU HA H 36 3.698 3.698 3.947 -0.249 17950 1261 1 4 . 1 1 36 36 GLU C C 36 177.497 177.497 176.885 0.612 17950 1262 1 4 . 1 1 36 36 GLU CA C 36 59.317 59.317 58.749 0.568 17950 1263 1 4 . 1 1 36 36 GLU CB C 36 29.107 29.107 29.662 -0.555 17950 1264 1 4 . 1 1 36 36 GLU H H 36 8.818 8.818 8.429 0.389 17950 1265 1 4 . 1 1 37 37 PHE N N 37 114.348 114.348 114.745 -0.397 17950 1266 1 4 . 1 1 37 37 PHE HA H 37 4.857 4.857 4.889 -0.032 17950 1267 1 4 . 1 1 37 37 PHE C C 37 177.191 177.191 175.169 2.022 17950 1268 1 4 . 1 1 37 37 PHE CA C 37 56.463 56.463 56.823 -0.360 17950 1269 1 4 . 1 1 37 37 PHE CB C 37 41.086 41.086 39.965 1.121 17950 1270 1 4 . 1 1 37 37 PHE H H 37 7.477 7.477 8.010 -0.533 17950 1271 1 4 . 1 1 38 38 SER N N 38 114.722 114.722 116.247 -1.525 17950 1272 1 4 . 1 1 38 38 SER HA H 38 3.822 3.822 4.434 -0.612 17950 1273 1 4 . 1 1 38 38 SER C C 38 176.516 176.516 175.342 1.174 17950 1274 1 4 . 1 1 38 38 SER CA C 38 61.996 61.996 60.996 1.000 17950 1275 1 4 . 1 1 38 38 SER CB C 38 62.761 62.761 63.642 -0.881 17950 1276 1 4 . 1 1 38 38 SER H H 38 8.546 8.546 7.651 0.895 17950 1277 1 4 . 1 1 39 39 LEU N N 39 121.277 121.277 120.399 0.878 17950 1278 1 4 . 1 1 39 39 LEU HA H 39 4.213 4.213 4.108 0.105 17950 1279 1 4 . 1 1 39 39 LEU C C 39 179.777 179.777 179.348 0.429 17950 1280 1 4 . 1 1 39 39 LEU CA C 39 57.171 57.171 57.301 -0.130 17950 1281 1 4 . 1 1 39 39 LEU CB C 39 41.340 41.340 41.625 -0.285 17950 1282 1 4 . 1 1 39 39 LEU H H 39 8.115 8.115 7.541 0.574 17950 1283 1 4 . 1 1 40 40 ILE N N 40 120.137 120.137 115.642 4.495 17950 1284 1 4 . 1 1 40 40 ILE HA H 40 3.701 3.701 3.942 -0.241 17950 1285 1 4 . 1 1 40 40 ILE C C 40 178.413 178.413 176.217 2.196 17950 1286 1 4 . 1 1 40 40 ILE CA C 40 63.624 63.624 62.921 0.703 17950 1287 1 4 . 1 1 40 40 ILE CB C 40 38.778 38.778 37.140 1.638 17950 1288 1 4 . 1 1 40 40 ILE H H 40 7.525 7.525 8.133 -0.608 17950 1289 1 4 . 1 1 41 41 LEU N N 41 117.023 117.023 114.613 2.410 17950 1290 1 4 . 1 1 41 41 LEU HA H 41 4.406 4.406 4.710 -0.304 17950 1291 1 4 . 1 1 41 41 LEU C C 41 176.196 176.196 176.106 0.090 17950 1292 1 4 . 1 1 41 41 LEU CA C 41 54.256 54.256 53.148 1.108 17950 1293 1 4 . 1 1 41 41 LEU CB C 41 41.891 41.891 40.940 0.951 17950 1294 1 4 . 1 1 41 41 LEU H H 41 7.608 7.608 7.517 0.091 17950 1295 1 4 . 1 1 42 42 LYS N N 42 116.369 116.369 119.042 -2.673 17950 1296 1 4 . 1 1 42 42 LYS HA H 42 4.050 4.050 4.157 -0.107 17950 1297 1 4 . 1 1 42 42 LYS C C 42 177.139 177.139 177.701 -0.562 17950 1298 1 4 . 1 1 42 42 LYS CA C 42 59.111 59.111 58.572 0.539 17950 1299 1 4 . 1 1 42 42 LYS CB C 42 32.553 32.553 32.460 0.093 17950 1300 1 4 . 1 1 42 42 LYS H H 42 6.645 6.645 7.223 -0.578 17950 1301 1 4 . 1 1 43 43 SER N N 43 115.061 115.061 113.998 1.063 17950 1302 1 4 . 1 1 43 43 SER HA H 43 4.407 4.407 4.312 0.095 17950 1303 1 4 . 1 1 43 43 SER C C 43 173.754 173.754 174.440 -0.686 17950 1304 1 4 . 1 1 43 43 SER CA C 43 58.850 58.850 59.876 -1.026 17950 1305 1 4 . 1 1 43 43 SER CB C 43 63.117 63.117 63.507 -0.390 17950 1306 1 4 . 1 1 43 43 SER H H 43 8.443 8.443 8.607 -0.164 17950 1307 1 4 . 1 1 44 44 ARG N N 44 119.658 119.658 119.305 0.353 17950 1308 1 4 . 1 1 44 44 ARG HA H 44 4.674 4.674 4.553 0.121 17950 1309 1 4 . 1 1 44 44 ARG C C 44 174.410 174.410 174.518 -0.108 17950 1310 1 4 . 1 1 44 44 ARG CA C 44 52.244 52.244 55.364 -3.120 17950 1311 1 4 . 1 1 44 44 ARG CB C 44 31.309 31.309 32.221 -0.912 17950 1312 1 4 . 1 1 44 44 ARG H H 44 8.036 8.036 7.760 0.276 17950 1313 1 4 . 1 1 45 45 SER N N 45 116.676 116.676 113.704 2.972 17950 1314 1 4 . 1 1 45 45 SER HA H 45 4.764 4.764 4.761 0.003 17950 1315 1 4 . 1 1 45 45 SER C C 45 175.294 175.294 175.788 -0.494 17950 1316 1 4 . 1 1 45 45 SER CA C 45 55.857 55.857 55.787 0.070 17950 1317 1 4 . 1 1 45 45 SER CB C 45 66.828 66.828 65.162 1.666 17950 1318 1 4 . 1 1 45 45 SER H H 45 9.180 9.180 8.370 0.810 17950 1319 1 4 . 1 1 46 46 ASN N N 46 118.004 118.004 119.872 -1.868 17950 1320 1 4 . 1 1 46 46 ASN HA H 46 3.954 3.954 4.498 -0.544 17950 1321 1 4 . 1 1 46 46 ASN C C 46 176.356 176.356 177.037 -0.681 17950 1322 1 4 . 1 1 46 46 ASN CA C 46 57.734 57.734 56.064 1.670 17950 1323 1 4 . 1 1 46 46 ASN CB C 46 36.901 36.901 37.748 -0.847 17950 1324 1 4 . 1 1 46 46 ASN H H 46 9.005 9.005 8.827 0.178 17950 1325 1 4 . 1 1 47 47 VAL N N 47 119.294 119.294 118.311 0.983 17950 1326 1 4 . 1 1 47 47 VAL HA H 47 3.422 3.422 3.516 -0.094 17950 1327 1 4 . 1 1 47 47 VAL C C 47 176.899 176.899 178.080 -1.181 17950 1328 1 4 . 1 1 47 47 VAL CA C 47 65.439 65.439 66.172 -0.733 17950 1329 1 4 . 1 1 47 47 VAL CB C 47 31.863 31.863 31.372 0.491 17950 1330 1 4 . 1 1 47 47 VAL H H 47 7.329 7.329 7.950 -0.621 17950 1331 1 4 . 1 1 48 48 ASP N N 48 120.297 120.297 119.921 0.376 17950 1332 1 4 . 1 1 48 48 ASP HA H 48 4.358 4.358 4.506 -0.148 17950 1333 1 4 . 1 1 48 48 ASP C C 48 179.879 179.879 178.546 1.333 17950 1334 1 4 . 1 1 48 48 ASP CA C 48 57.162 57.162 57.377 -0.215 17950 1335 1 4 . 1 1 48 48 ASP CB C 48 41.040 41.040 40.820 0.220 17950 1336 1 4 . 1 1 48 48 ASP H H 48 7.597 7.597 7.846 -0.249 17950 1337 1 4 . 1 1 49 49 LEU N N 49 119.624 119.624 120.420 -0.796 17950 1338 1 4 . 1 1 49 49 LEU HA H 49 3.824 3.824 4.021 -0.197 17950 1339 1 4 . 1 1 49 49 LEU C C 49 176.207 176.207 178.766 -2.559 17950 1340 1 4 . 1 1 49 49 LEU CA C 49 59.202 59.202 58.420 0.782 17950 1341 1 4 . 1 1 49 49 LEU CB C 49 41.113 41.113 41.574 -0.461 17950 1342 1 4 . 1 1 49 49 LEU H H 49 7.835 7.835 7.629 0.206 17950 1343 1 4 . 1 1 50 50 LYS N N 50 119.306 119.306 117.393 1.913 17950 1344 1 4 . 1 1 50 50 LYS HA H 50 2.427 2.427 4.006 -1.579 17950 1345 1 4 . 1 1 50 50 LYS C C 50 178.745 178.745 178.483 0.262 17950 1346 1 4 . 1 1 50 50 LYS CA C 50 59.310 59.310 59.474 -0.164 17950 1347 1 4 . 1 1 50 50 LYS CB C 50 31.906 31.906 31.574 0.332 17950 1348 1 4 . 1 1 50 50 LYS H H 50 6.788 6.788 7.748 -0.960 17950 1349 1 4 . 1 1 51 51 ASP N N 51 118.721 118.721 120.655 -1.934 17950 1350 1 4 . 1 1 51 51 ASP HA H 51 4.167 4.167 4.358 -0.191 17950 1351 1 4 . 1 1 51 51 ASP C C 51 178.461 178.461 178.375 0.086 17950 1352 1 4 . 1 1 51 51 ASP CA C 51 56.852 56.852 57.044 -0.192 17950 1353 1 4 . 1 1 51 51 ASP CB C 51 40.475 40.475 40.608 -0.133 17950 1354 1 4 . 1 1 51 51 ASP H H 51 8.203 8.203 7.778 0.425 17950 1355 1 4 . 1 1 52 52 LYS N N 52 121.009 121.009 119.507 1.502 17950 1356 1 4 . 1 1 52 52 LYS HA H 52 3.776 3.776 4.029 -0.253 17950 1357 1 4 . 1 1 52 52 LYS C C 52 178.328 178.328 178.840 -0.512 17950 1358 1 4 . 1 1 52 52 LYS CA C 52 56.841 56.841 59.266 -2.425 17950 1359 1 4 . 1 1 52 52 LYS CB C 52 31.473 31.473 32.202 -0.729 17950 1360 1 4 . 1 1 52 52 LYS H H 52 7.842 7.842 8.187 -0.345 17950 1361 1 4 . 1 1 53 53 TRP N N 53 119.577 119.577 120.486 -0.909 17950 1362 1 4 . 1 1 53 53 TRP HA H 53 4.121 4.121 4.255 -0.134 17950 1363 1 4 . 1 1 53 53 TRP C C 53 178.056 178.056 177.823 0.233 17950 1364 1 4 . 1 1 53 53 TRP CA C 53 59.505 59.505 59.694 -0.188 17950 1365 1 4 . 1 1 53 53 TRP CB C 53 30.004 30.004 29.573 0.431 17950 1366 1 4 . 1 1 53 53 TRP H H 53 8.469 8.469 7.871 0.598 17950 1367 1 4 . 1 1 54 54 ARG N N 54 117.607 117.607 119.981 -2.374 17950 1368 1 4 . 1 1 54 54 ARG HA H 54 3.721 3.721 3.602 0.119 17950 1369 1 4 . 1 1 54 54 ARG C C 54 177.399 177.399 177.857 -0.458 17950 1370 1 4 . 1 1 54 54 ARG CA C 54 59.030 59.030 59.506 -0.476 17950 1371 1 4 . 1 1 54 54 ARG CB C 54 29.401 29.401 29.829 -0.428 17950 1372 1 4 . 1 1 54 54 ARG H H 54 7.527 7.527 7.928 -0.401 17950 1373 1 4 . 1 1 55 55 ASN N N 55 115.552 115.552 118.224 -2.672 17950 1374 1 4 . 1 1 55 55 ASN HA H 55 4.387 4.387 4.379 0.008 17950 1375 1 4 . 1 1 55 55 ASN C C 55 176.869 176.869 177.943 -1.074 17950 1376 1 4 . 1 1 55 55 ASN CA C 55 55.320 55.320 56.005 -0.685 17950 1377 1 4 . 1 1 55 55 ASN CB C 55 39.679 39.679 38.100 1.579 17950 1378 1 4 . 1 1 55 55 ASN H H 55 7.242 7.242 8.065 -0.823 17950 1379 1 4 . 1 1 56 56 ILE N N 56 117.285 117.285 117.668 -0.383 17950 1380 1 4 . 1 1 56 56 ILE HA H 56 3.768 3.768 3.860 -0.092 17950 1381 1 4 . 1 1 56 56 ILE C C 56 176.781 176.781 176.086 0.695 17950 1382 1 4 . 1 1 56 56 ILE CA C 56 62.932 62.932 63.572 -0.640 17950 1383 1 4 . 1 1 56 56 ILE CB C 56 38.341 38.341 38.102 0.239 17950 1384 1 4 . 1 1 56 56 ILE H H 56 7.760 7.760 7.556 0.204 17950 1385 1 4 . 1 1 57 57 SER N N 57 116.184 116.184 114.166 2.018 17950 1386 1 4 . 1 1 57 57 SER HA H 57 3.676 3.676 3.998 -0.322 17950 1387 1 4 . 1 1 57 57 SER C C 57 174.964 174.964 176.746 -1.782 17950 1388 1 4 . 1 1 57 57 SER CA C 57 59.435 59.435 60.557 -1.122 17950 1389 1 4 . 1 1 57 57 SER CB C 57 63.062 63.062 62.891 0.171 17950 1390 1 4 . 1 1 57 57 SER H H 57 7.635 7.635 6.889 0.746 17950 1391 1 4 . 1 1 58 58 VAL N N 58 119.671 119.671 120.831 -1.160 17950 1392 1 4 . 1 1 58 58 VAL HA H 58 3.959 3.959 3.712 0.247 17950 1393 1 4 . 1 1 58 58 VAL C C 58 176.787 176.787 177.046 -0.259 17950 1394 1 4 . 1 1 58 58 VAL CA C 58 63.249 63.249 65.209 -1.960 17950 1395 1 4 . 1 1 58 58 VAL CB C 58 31.964 31.964 31.760 0.204 17950 1396 1 4 . 1 1 58 58 VAL H H 58 7.454 7.454 8.170 -0.716 17950 1397 1 4 . 1 1 59 59 THR N N 59 114.912 114.912 113.936 0.976 17950 1398 1 4 . 1 1 59 59 THR HA H 59 3.924 3.924 4.376 -0.452 17950 1399 1 4 . 1 1 59 59 THR C C 59 174.839 174.839 173.183 1.656 17950 1400 1 4 . 1 1 59 59 THR CA C 59 62.616 62.616 61.096 1.520 17950 1401 1 4 . 1 1 59 59 THR CB C 59 69.358 69.358 67.459 1.899 17950 1402 1 4 . 1 1 59 59 THR H H 59 7.681 7.681 7.550 0.131 17950 1403 1 4 . 1 1 60 60 ALA N N 60 124.969 124.969 127.762 -2.793 17950 1404 1 4 . 1 1 60 60 ALA HA H 60 4.094 4.094 4.634 -0.540 17950 1405 1 4 . 1 1 60 60 ALA C C 60 177.636 177.636 177.999 -0.363 17950 1406 1 4 . 1 1 60 60 ALA CA C 60 52.909 52.909 53.116 -0.207 17950 1407 1 4 . 1 1 60 60 ALA CB C 60 18.757 18.757 19.768 -1.011 17950 1408 1 4 . 1 1 60 60 ALA H H 60 7.939 7.939 7.867 0.072 17950 1409 1 4 . 1 1 61 61 LEU N N 61 119.572 119.572 114.733 4.839 17950 1410 1 4 . 1 1 61 61 LEU HA H 61 4.150 4.150 4.725 -0.575 17950 1411 1 4 . 1 1 61 61 LEU C C 61 177.260 177.260 177.974 -0.714 17950 1412 1 4 . 1 1 61 61 LEU CA C 61 55.183 55.183 54.047 1.136 17950 1413 1 4 . 1 1 61 61 LEU CB C 61 41.901 41.901 41.384 0.517 17950 1414 1 4 . 1 1 61 61 LEU H H 61 7.812 7.812 7.898 -0.086 17950 1415 1 4 . 1 1 62 62 TRP N N 62 120.635 120.635 122.277 -1.642 17950 1416 1 4 . 1 1 62 62 TRP HA H 62 4.617 4.617 4.531 0.086 17950 1417 1 4 . 1 1 62 62 TRP C C 62 176.752 176.752 175.815 0.937 17950 1418 1 4 . 1 1 62 62 TRP CA C 62 57.262 57.262 56.994 0.268 17950 1419 1 4 . 1 1 62 62 TRP CB C 62 29.579 29.579 29.306 0.273 17950 1420 1 4 . 1 1 62 62 TRP H H 62 7.851 7.851 8.282 -0.431 17950 1421 1 4 . 1 1 63 63 GLY N N 63 110.695 110.695 109.756 0.939 17950 1422 1 4 . 1 1 63 63 GLY C C 63 173.238 173.238 172.821 0.417 17950 1423 1 4 . 1 1 63 63 GLY CA C 63 45.357 45.357 44.627 0.730 17950 1424 1 4 . 1 1 63 63 GLY H H 63 8.132 8.132 7.403 0.729 17950 1425 1 5 . 1 1 2 2 GLY N N 2 110.542 110.542 110.527 0.015 17950 1426 1 5 . 1 1 2 2 GLY C C 2 173.237 173.237 172.920 0.317 17950 1427 1 5 . 1 1 2 2 GLY CA C 2 44.918 44.918 45.264 -0.346 17950 1428 1 5 . 1 1 2 2 GLY H H 2 8.335 8.335 9.551 -1.216 17950 1429 1 5 . 1 1 3 3 ALA N N 3 124.917 124.917 125.843 -0.926 17950 1430 1 5 . 1 1 3 3 ALA HA H 3 4.513 4.513 5.171 -0.658 17950 1431 1 5 . 1 1 3 3 ALA CA C 3 50.370 50.370 51.544 -1.174 17950 1432 1 5 . 1 1 3 3 ALA CB C 3 18.052 18.052 19.711 -1.659 17950 1433 1 5 . 1 1 3 3 ALA H H 3 8.069 8.069 8.484 -0.415 17950 1434 1 5 . 1 1 4 4 PRO HA H 4 4.341 4.341 4.386 -0.045 17950 1435 1 5 . 1 1 4 4 PRO C C 4 177.068 177.068 176.711 0.357 17950 1436 1 5 . 1 1 4 4 PRO CA C 4 63.007 63.007 63.476 -0.469 17950 1437 1 5 . 1 1 4 4 PRO CB C 4 32.015 32.015 31.861 0.154 17950 1438 1 5 . 1 1 5 5 LYS N N 5 121.494 121.494 117.355 4.139 17950 1439 1 5 . 1 1 5 5 LYS HA H 5 4.180 4.180 4.126 0.054 17950 1440 1 5 . 1 1 5 5 LYS C C 5 176.697 176.697 176.175 0.522 17950 1441 1 5 . 1 1 5 5 LYS CA C 5 56.140 56.140 56.989 -0.849 17950 1442 1 5 . 1 1 5 5 LYS CB C 5 32.871 32.871 30.510 2.361 17950 1443 1 5 . 1 1 5 5 LYS H H 5 8.376 8.376 8.608 -0.232 17950 1444 1 5 . 1 1 6 6 GLN N N 6 121.572 121.572 117.311 4.261 17950 1445 1 5 . 1 1 6 6 GLN HA H 6 4.230 4.230 4.454 -0.224 17950 1446 1 5 . 1 1 6 6 GLN C C 6 176.847 176.847 175.649 1.198 17950 1447 1 5 . 1 1 6 6 GLN CA C 6 55.634 55.634 55.830 -0.196 17950 1448 1 5 . 1 1 6 6 GLN CB C 6 29.290 29.290 28.143 1.147 17950 1449 1 5 . 1 1 6 6 GLN H H 6 8.438 8.438 8.291 0.147 17950 1450 1 5 . 1 1 7 7 LYS N N 7 125.757 125.757 120.856 4.901 17950 1451 1 5 . 1 1 7 7 LYS HA H 7 4.259 4.259 4.322 -0.063 17950 1452 1 5 . 1 1 7 7 LYS C C 7 176.770 176.770 175.019 1.751 17950 1453 1 5 . 1 1 7 7 LYS CA C 7 56.899 56.899 56.024 0.875 17950 1454 1 5 . 1 1 7 7 LYS CB C 7 32.782 32.782 32.515 0.267 17950 1455 1 5 . 1 1 7 7 LYS H H 7 8.500 8.500 8.272 0.228 17950 1456 1 5 . 1 1 8 8 TRP N N 8 125.581 125.581 118.388 7.193 17950 1457 1 5 . 1 1 8 8 TRP HA H 8 4.504 4.504 4.847 -0.343 17950 1458 1 5 . 1 1 8 8 TRP C C 8 177.459 177.459 174.387 3.072 17950 1459 1 5 . 1 1 8 8 TRP CA C 8 57.777 57.777 57.033 0.744 17950 1460 1 5 . 1 1 8 8 TRP CB C 8 28.836 28.836 31.575 -2.739 17950 1461 1 5 . 1 1 8 8 TRP H H 8 8.959 8.959 7.750 1.209 17950 1462 1 5 . 1 1 9 9 THR N N 9 115.986 115.986 112.999 2.987 17950 1463 1 5 . 1 1 9 9 THR HA H 9 4.759 4.759 4.849 -0.090 17950 1464 1 5 . 1 1 9 9 THR CA C 9 59.565 59.565 59.326 0.239 17950 1465 1 5 . 1 1 9 9 THR CB C 9 68.786 68.786 70.371 -1.585 17950 1466 1 5 . 1 1 9 9 THR H H 9 9.105 9.105 8.318 0.787 17950 1467 1 5 . 1 1 10 10 PRO HA H 10 4.369 4.369 4.462 -0.093 17950 1468 1 5 . 1 1 10 10 PRO C C 10 180.115 180.115 178.739 1.376 17950 1469 1 5 . 1 1 10 10 PRO CA C 10 65.387 65.387 64.732 0.655 17950 1470 1 5 . 1 1 10 10 PRO CB C 10 31.739 31.739 32.242 -0.503 17950 1471 1 5 . 1 1 11 11 GLU N N 11 118.329 118.329 119.481 -1.152 17950 1472 1 5 . 1 1 11 11 GLU HA H 11 4.065 4.065 4.062 0.003 17950 1473 1 5 . 1 1 11 11 GLU C C 11 180.122 180.122 178.975 1.147 17950 1474 1 5 . 1 1 11 11 GLU CA C 11 60.640 60.640 60.268 0.372 17950 1475 1 5 . 1 1 11 11 GLU CB C 11 28.680 28.680 29.291 -0.611 17950 1476 1 5 . 1 1 11 11 GLU H H 11 9.009 9.009 8.974 0.035 17950 1477 1 5 . 1 1 12 12 GLU N N 12 121.178 121.178 118.151 3.027 17950 1478 1 5 . 1 1 12 12 GLU HA H 12 3.857 3.857 4.056 -0.199 17950 1479 1 5 . 1 1 12 12 GLU C C 12 179.021 179.021 178.879 0.142 17950 1480 1 5 . 1 1 12 12 GLU CA C 12 59.900 59.900 59.277 0.623 17950 1481 1 5 . 1 1 12 12 GLU CB C 12 32.276 32.276 29.270 3.006 17950 1482 1 5 . 1 1 12 12 GLU H H 12 7.952 7.952 8.575 -0.623 17950 1483 1 5 . 1 1 13 13 GLU N N 13 118.771 118.771 120.561 -1.790 17950 1484 1 5 . 1 1 13 13 GLU HA H 13 3.928 3.928 3.957 -0.029 17950 1485 1 5 . 1 1 13 13 GLU C C 13 178.499 178.499 179.021 -0.522 17950 1486 1 5 . 1 1 13 13 GLU CA C 13 61.052 61.052 59.438 1.614 17950 1487 1 5 . 1 1 13 13 GLU CB C 13 29.552 29.552 29.479 0.073 17950 1488 1 5 . 1 1 13 13 GLU H H 13 8.446 8.446 7.556 0.890 17950 1489 1 5 . 1 1 14 14 ALA N N 14 120.274 120.274 120.824 -0.550 17950 1490 1 5 . 1 1 14 14 ALA HA H 14 4.095 4.095 4.163 -0.068 17950 1491 1 5 . 1 1 14 14 ALA C C 14 180.719 180.719 179.686 1.033 17950 1492 1 5 . 1 1 14 14 ALA CA C 14 55.053 55.053 54.883 0.170 17950 1493 1 5 . 1 1 14 14 ALA CB C 14 18.019 18.019 18.171 -0.152 17950 1494 1 5 . 1 1 14 14 ALA H H 14 8.434 8.434 8.598 -0.164 17950 1495 1 5 . 1 1 15 15 ALA N N 15 122.356 122.356 121.953 0.403 17950 1496 1 5 . 1 1 15 15 ALA HA H 15 4.381 4.381 4.226 0.155 17950 1497 1 5 . 1 1 15 15 ALA C C 15 178.553 178.553 179.190 -0.637 17950 1498 1 5 . 1 1 15 15 ALA CA C 15 54.786 54.786 54.904 -0.118 17950 1499 1 5 . 1 1 15 15 ALA CB C 15 18.779 18.779 18.682 0.097 17950 1500 1 5 . 1 1 15 15 ALA H H 15 7.900 7.900 7.693 0.207 17950 1501 1 5 . 1 1 16 16 LEU N N 16 118.626 118.626 120.169 -1.543 17950 1502 1 5 . 1 1 16 16 LEU HA H 16 3.921 3.921 3.801 0.120 17950 1503 1 5 . 1 1 16 16 LEU C C 16 177.536 177.536 178.400 -0.864 17950 1504 1 5 . 1 1 16 16 LEU CA C 16 58.384 58.384 58.226 0.158 17950 1505 1 5 . 1 1 16 16 LEU CB C 16 42.189 42.189 42.107 0.082 17950 1506 1 5 . 1 1 16 16 LEU H H 16 8.182 8.182 8.405 -0.223 17950 1507 1 5 . 1 1 17 17 LYS N N 17 117.009 117.009 118.718 -1.709 17950 1508 1 5 . 1 1 17 17 LYS HA H 17 3.906 3.906 3.710 0.196 17950 1509 1 5 . 1 1 17 17 LYS C C 17 178.796 178.796 178.667 0.129 17950 1510 1 5 . 1 1 17 17 LYS CA C 17 60.496 60.496 59.551 0.945 17950 1511 1 5 . 1 1 17 17 LYS CB C 17 32.720 32.720 31.771 0.949 17950 1512 1 5 . 1 1 17 17 LYS H H 17 8.029 8.029 8.287 -0.258 17950 1513 1 5 . 1 1 18 18 ALA N N 18 121.422 121.422 120.689 0.733 17950 1514 1 5 . 1 1 18 18 ALA HA H 18 4.021 4.021 4.021 -0.000 17950 1515 1 5 . 1 1 18 18 ALA C C 18 180.627 180.627 179.528 1.099 17950 1516 1 5 . 1 1 18 18 ALA CA C 18 54.752 54.752 54.964 -0.212 17950 1517 1 5 . 1 1 18 18 ALA CB C 18 18.405 18.405 18.125 0.280 17950 1518 1 5 . 1 1 18 18 ALA H H 18 8.174 8.174 7.627 0.547 17950 1519 1 5 . 1 1 19 19 GLY N N 19 110.862 110.862 106.313 4.549 17950 1520 1 5 . 1 1 19 19 GLY C C 19 174.803 174.803 175.930 -1.127 17950 1521 1 5 . 1 1 19 19 GLY CA C 19 47.190 47.190 46.615 0.575 17950 1522 1 5 . 1 1 19 19 GLY H H 19 8.503 8.503 7.362 1.141 17950 1523 1 5 . 1 1 20 20 VAL N N 20 123.677 123.677 122.241 1.436 17950 1524 1 5 . 1 1 20 20 VAL HA H 20 3.166 3.166 3.794 -0.628 17950 1525 1 5 . 1 1 20 20 VAL C C 20 179.632 179.632 177.746 1.886 17950 1526 1 5 . 1 1 20 20 VAL CA C 20 65.603 65.603 65.211 0.392 17950 1527 1 5 . 1 1 20 20 VAL CB C 20 30.946 30.946 31.140 -0.194 17950 1528 1 5 . 1 1 20 20 VAL H H 20 8.106 8.106 7.307 0.799 17950 1529 1 5 . 1 1 21 21 LEU N N 21 122.348 122.348 118.181 4.167 17950 1530 1 5 . 1 1 21 21 LEU HA H 21 3.894 3.894 4.053 -0.159 17950 1531 1 5 . 1 1 21 21 LEU C C 21 178.085 178.085 178.277 -0.192 17950 1532 1 5 . 1 1 21 21 LEU CA C 21 58.028 58.028 56.944 1.084 17950 1533 1 5 . 1 1 21 21 LEU CB C 21 41.401 41.401 42.150 -0.749 17950 1534 1 5 . 1 1 21 21 LEU H H 21 7.817 7.817 7.475 0.342 17950 1535 1 5 . 1 1 22 22 LYS N N 22 117.663 117.663 117.980 -0.317 17950 1536 1 5 . 1 1 22 22 LYS HA H 22 3.837 3.837 4.016 -0.179 17950 1537 1 5 . 1 1 22 22 LYS C C 22 177.740 177.740 178.378 -0.638 17950 1538 1 5 . 1 1 22 22 LYS CA C 22 59.206 59.206 58.836 0.370 17950 1539 1 5 . 1 1 22 22 LYS CB C 22 35.176 35.176 32.308 2.868 17950 1540 1 5 . 1 1 22 22 LYS H H 22 7.520 7.520 7.838 -0.318 17950 1541 1 5 . 1 1 23 23 HIS N N 23 113.904 113.904 113.348 0.556 17950 1542 1 5 . 1 1 23 23 HIS HA H 23 4.625 4.625 4.647 -0.022 17950 1543 1 5 . 1 1 23 23 HIS C C 23 176.122 176.122 175.370 0.752 17950 1544 1 5 . 1 1 23 23 HIS CA C 23 57.211 57.211 56.275 0.936 17950 1545 1 5 . 1 1 23 23 HIS CB C 23 33.414 33.414 32.926 0.488 17950 1546 1 5 . 1 1 23 23 HIS H H 23 8.311 8.311 7.626 0.685 17950 1547 1 5 . 1 1 24 24 GLY N N 24 110.098 110.098 105.693 4.405 17950 1548 1 5 . 1 1 24 24 GLY C C 24 173.041 173.041 172.431 0.610 17950 1549 1 5 . 1 1 24 24 GLY CA C 24 43.563 43.563 45.463 -1.900 17950 1550 1 5 . 1 1 24 24 GLY H H 24 8.158 8.158 7.669 0.489 17950 1551 1 5 . 1 1 25 25 THR N N 25 108.590 108.590 112.975 -4.385 17950 1552 1 5 . 1 1 25 25 THR HA H 25 3.123 3.123 4.252 -1.129 17950 1553 1 5 . 1 1 25 25 THR C C 25 174.866 174.866 174.393 0.473 17950 1554 1 5 . 1 1 25 25 THR CA C 25 61.992 61.992 61.039 0.953 17950 1555 1 5 . 1 1 25 25 THR CB C 25 69.110 69.110 67.592 1.518 17950 1556 1 5 . 1 1 25 25 THR H H 25 7.826 7.826 8.274 -0.448 17950 1557 1 5 . 1 1 26 26 GLY N N 26 106.794 106.794 108.815 -2.021 17950 1558 1 5 . 1 1 26 26 GLY C C 26 173.988 173.988 172.460 1.528 17950 1559 1 5 . 1 1 26 26 GLY CA C 26 45.639 45.639 45.322 0.317 17950 1560 1 5 . 1 1 26 26 GLY H H 26 5.553 5.553 7.372 -1.819 17950 1561 1 5 . 1 1 27 27 LYS N N 27 122.617 122.617 120.798 1.819 17950 1562 1 5 . 1 1 27 27 LYS HA H 27 4.499 4.499 4.541 -0.042 17950 1563 1 5 . 1 1 27 27 LYS C C 27 176.586 176.586 176.178 0.408 17950 1564 1 5 . 1 1 27 27 LYS CA C 27 53.590 53.590 54.713 -1.123 17950 1565 1 5 . 1 1 27 27 LYS CB C 27 30.298 30.298 31.102 -0.804 17950 1566 1 5 . 1 1 27 27 LYS H H 27 7.025 7.025 7.283 -0.258 17950 1567 1 5 . 1 1 28 28 TRP N N 28 119.816 119.816 122.608 -2.792 17950 1568 1 5 . 1 1 28 28 TRP HA H 28 4.130 4.130 4.335 -0.205 17950 1569 1 5 . 1 1 28 28 TRP C C 28 178.012 178.012 177.945 0.067 17950 1570 1 5 . 1 1 28 28 TRP CA C 28 58.414 58.414 61.065 -2.651 17950 1571 1 5 . 1 1 28 28 TRP CB C 28 30.008 30.008 28.828 1.180 17950 1572 1 5 . 1 1 28 28 TRP H H 28 6.384 6.384 7.571 -1.187 17950 1573 1 5 . 1 1 29 29 ARG N N 29 115.616 115.616 118.480 -2.864 17950 1574 1 5 . 1 1 29 29 ARG HA H 29 3.963 3.963 4.105 -0.142 17950 1575 1 5 . 1 1 29 29 ARG C C 29 178.821 178.821 178.058 0.763 17950 1576 1 5 . 1 1 29 29 ARG CA C 29 59.381 59.381 59.988 -0.607 17950 1577 1 5 . 1 1 29 29 ARG CB C 29 29.366 29.366 29.389 -0.023 17950 1578 1 5 . 1 1 29 29 ARG H H 29 8.465 8.465 8.547 -0.082 17950 1579 1 5 . 1 1 30 30 THR N N 30 118.439 118.439 116.900 1.539 17950 1580 1 5 . 1 1 30 30 THR HA H 30 3.594 3.594 3.979 -0.385 17950 1581 1 5 . 1 1 30 30 THR C C 30 176.351 176.351 176.450 -0.099 17950 1582 1 5 . 1 1 30 30 THR CA C 30 66.347 66.347 66.172 0.175 17950 1583 1 5 . 1 1 30 30 THR CB C 30 68.157 68.157 68.346 -0.189 17950 1584 1 5 . 1 1 30 30 THR H H 30 7.451 7.451 7.848 -0.397 17950 1585 1 5 . 1 1 31 31 ILE N N 31 121.530 121.530 121.454 0.076 17950 1586 1 5 . 1 1 31 31 ILE HA H 31 3.403 3.403 3.663 -0.260 17950 1587 1 5 . 1 1 31 31 ILE C C 31 176.326 176.326 177.234 -0.908 17950 1588 1 5 . 1 1 31 31 ILE CA C 31 66.885 66.885 65.065 1.820 17950 1589 1 5 . 1 1 31 31 ILE CB C 31 38.320 38.320 37.768 0.552 17950 1590 1 5 . 1 1 31 31 ILE H H 31 7.551 7.551 7.796 -0.245 17950 1591 1 5 . 1 1 32 32 LEU N N 32 113.721 113.721 118.818 -5.097 17950 1592 1 5 . 1 1 32 32 LEU HA H 32 3.871 3.871 4.198 -0.327 17950 1593 1 5 . 1 1 32 32 LEU C C 32 177.633 177.633 178.033 -0.400 17950 1594 1 5 . 1 1 32 32 LEU CA C 32 56.846 56.846 56.443 0.403 17950 1595 1 5 . 1 1 32 32 LEU CB C 32 42.246 42.246 42.645 -0.400 17950 1596 1 5 . 1 1 32 32 LEU H H 32 7.317 7.317 7.897 -0.580 17950 1597 1 5 . 1 1 33 33 SER N N 33 110.515 110.515 112.555 -2.040 17950 1598 1 5 . 1 1 33 33 SER HA H 33 4.442 4.442 4.277 0.165 17950 1599 1 5 . 1 1 33 33 SER C C 33 173.479 173.479 174.501 -1.022 17950 1600 1 5 . 1 1 33 33 SER CA C 33 58.210 58.210 59.849 -1.639 17950 1601 1 5 . 1 1 33 33 SER CB C 33 64.194 64.194 63.421 0.773 17950 1602 1 5 . 1 1 33 33 SER H H 33 7.389 7.389 7.849 -0.460 17950 1603 1 5 . 1 1 34 34 ASP N N 34 125.920 125.920 122.159 3.761 17950 1604 1 5 . 1 1 34 34 ASP HA H 34 4.617 4.617 4.665 -0.048 17950 1605 1 5 . 1 1 34 34 ASP C C 34 178.020 178.020 177.378 0.642 17950 1606 1 5 . 1 1 34 34 ASP CA C 34 53.652 53.652 54.258 -0.606 17950 1607 1 5 . 1 1 34 34 ASP CB C 34 42.056 42.056 41.519 0.537 17950 1608 1 5 . 1 1 34 34 ASP H H 34 7.426 7.426 8.006 -0.580 17950 1609 1 5 . 1 1 35 35 THR N N 35 122.180 122.180 123.129 -0.949 17950 1610 1 5 . 1 1 35 35 THR HA H 35 4.223 4.223 3.989 0.234 17950 1611 1 5 . 1 1 35 35 THR C C 35 175.997 175.997 175.982 0.015 17950 1612 1 5 . 1 1 35 35 THR CA C 35 64.686 64.686 65.421 -0.735 17950 1613 1 5 . 1 1 35 35 THR CB C 35 68.728 68.728 69.002 -0.274 17950 1614 1 5 . 1 1 35 35 THR H H 35 8.689 8.689 8.718 -0.029 17950 1615 1 5 . 1 1 36 36 GLU N N 36 122.403 122.403 119.734 2.669 17950 1616 1 5 . 1 1 36 36 GLU HA H 36 3.698 3.698 3.856 -0.158 17950 1617 1 5 . 1 1 36 36 GLU C C 36 177.497 177.497 176.896 0.601 17950 1618 1 5 . 1 1 36 36 GLU CA C 36 59.317 59.317 58.426 0.891 17950 1619 1 5 . 1 1 36 36 GLU CB C 36 29.107 29.107 29.606 -0.499 17950 1620 1 5 . 1 1 36 36 GLU H H 36 8.818 8.818 7.870 0.948 17950 1621 1 5 . 1 1 37 37 PHE N N 37 114.348 114.348 114.186 0.162 17950 1622 1 5 . 1 1 37 37 PHE HA H 37 4.857 4.857 4.795 0.062 17950 1623 1 5 . 1 1 37 37 PHE C C 37 177.191 177.191 175.228 1.963 17950 1624 1 5 . 1 1 37 37 PHE CA C 37 56.463 56.463 57.064 -0.601 17950 1625 1 5 . 1 1 37 37 PHE CB C 37 41.086 41.086 39.629 1.457 17950 1626 1 5 . 1 1 37 37 PHE H H 37 7.477 7.477 7.845 -0.368 17950 1627 1 5 . 1 1 38 38 SER N N 38 114.722 114.722 115.970 -1.248 17950 1628 1 5 . 1 1 38 38 SER HA H 38 3.822 3.822 4.553 -0.731 17950 1629 1 5 . 1 1 38 38 SER C C 38 176.516 176.516 175.064 1.452 17950 1630 1 5 . 1 1 38 38 SER CA C 38 61.996 61.996 59.545 2.451 17950 1631 1 5 . 1 1 38 38 SER CB C 38 62.761 62.761 64.086 -1.325 17950 1632 1 5 . 1 1 38 38 SER H H 38 8.546 8.546 7.690 0.856 17950 1633 1 5 . 1 1 39 39 LEU N N 39 121.277 121.277 120.058 1.219 17950 1634 1 5 . 1 1 39 39 LEU HA H 39 4.213 4.213 4.083 0.130 17950 1635 1 5 . 1 1 39 39 LEU C C 39 179.777 179.777 179.420 0.357 17950 1636 1 5 . 1 1 39 39 LEU CA C 39 57.171 57.171 57.896 -0.725 17950 1637 1 5 . 1 1 39 39 LEU CB C 39 41.340 41.340 41.849 -0.509 17950 1638 1 5 . 1 1 39 39 LEU H H 39 8.115 8.115 7.270 0.845 17950 1639 1 5 . 1 1 40 40 ILE N N 40 120.137 120.137 116.510 3.627 17950 1640 1 5 . 1 1 40 40 ILE HA H 40 3.701 3.701 3.940 -0.239 17950 1641 1 5 . 1 1 40 40 ILE C C 40 178.413 178.413 176.713 1.700 17950 1642 1 5 . 1 1 40 40 ILE CA C 40 63.624 63.624 62.997 0.627 17950 1643 1 5 . 1 1 40 40 ILE CB C 40 38.778 38.778 37.240 1.538 17950 1644 1 5 . 1 1 40 40 ILE H H 40 7.525 7.525 8.325 -0.800 17950 1645 1 5 . 1 1 41 41 LEU N N 41 117.023 117.023 117.137 -0.114 17950 1646 1 5 . 1 1 41 41 LEU HA H 41 4.406 4.406 4.652 -0.246 17950 1647 1 5 . 1 1 41 41 LEU C C 41 176.196 176.196 176.138 0.058 17950 1648 1 5 . 1 1 41 41 LEU CA C 41 54.256 54.256 53.386 0.870 17950 1649 1 5 . 1 1 41 41 LEU CB C 41 41.891 41.891 40.980 0.911 17950 1650 1 5 . 1 1 41 41 LEU H H 41 7.608 7.608 7.523 0.085 17950 1651 1 5 . 1 1 42 42 LYS N N 42 116.369 116.369 118.372 -2.003 17950 1652 1 5 . 1 1 42 42 LYS HA H 42 4.050 4.050 4.186 -0.136 17950 1653 1 5 . 1 1 42 42 LYS C C 42 177.139 177.139 177.579 -0.440 17950 1654 1 5 . 1 1 42 42 LYS CA C 42 59.111 59.111 58.162 0.949 17950 1655 1 5 . 1 1 42 42 LYS CB C 42 32.553 32.553 32.376 0.177 17950 1656 1 5 . 1 1 42 42 LYS H H 42 6.645 6.645 7.208 -0.563 17950 1657 1 5 . 1 1 43 43 SER N N 43 115.061 115.061 114.550 0.511 17950 1658 1 5 . 1 1 43 43 SER HA H 43 4.407 4.407 4.342 0.065 17950 1659 1 5 . 1 1 43 43 SER C C 43 173.754 173.754 174.666 -0.912 17950 1660 1 5 . 1 1 43 43 SER CA C 43 58.850 58.850 60.136 -1.286 17950 1661 1 5 . 1 1 43 43 SER CB C 43 63.117 63.117 63.364 -0.247 17950 1662 1 5 . 1 1 43 43 SER H H 43 8.443 8.443 8.507 -0.064 17950 1663 1 5 . 1 1 44 44 ARG N N 44 119.658 119.658 120.089 -0.431 17950 1664 1 5 . 1 1 44 44 ARG HA H 44 4.674 4.674 4.614 0.060 17950 1665 1 5 . 1 1 44 44 ARG C C 44 174.410 174.410 174.661 -0.251 17950 1666 1 5 . 1 1 44 44 ARG CA C 44 52.244 52.244 54.676 -2.432 17950 1667 1 5 . 1 1 44 44 ARG CB C 44 31.309 31.309 31.897 -0.588 17950 1668 1 5 . 1 1 44 44 ARG H H 44 8.036 8.036 8.117 -0.081 17950 1669 1 5 . 1 1 45 45 SER N N 45 116.676 116.676 113.202 3.474 17950 1670 1 5 . 1 1 45 45 SER HA H 45 4.764 4.764 4.684 0.080 17950 1671 1 5 . 1 1 45 45 SER C C 45 175.294 175.294 175.009 0.285 17950 1672 1 5 . 1 1 45 45 SER CA C 45 55.857 55.857 57.266 -1.409 17950 1673 1 5 . 1 1 45 45 SER CB C 45 66.828 66.828 65.752 1.076 17950 1674 1 5 . 1 1 45 45 SER H H 45 9.180 9.180 8.150 1.030 17950 1675 1 5 . 1 1 46 46 ASN N N 46 118.004 118.004 120.146 -2.142 17950 1676 1 5 . 1 1 46 46 ASN HA H 46 3.954 3.954 4.397 -0.443 17950 1677 1 5 . 1 1 46 46 ASN C C 46 176.356 176.356 177.065 -0.709 17950 1678 1 5 . 1 1 46 46 ASN CA C 46 57.734 57.734 56.135 1.599 17950 1679 1 5 . 1 1 46 46 ASN CB C 46 36.901 36.901 37.832 -0.931 17950 1680 1 5 . 1 1 46 46 ASN H H 46 9.005 9.005 8.770 0.235 17950 1681 1 5 . 1 1 47 47 VAL N N 47 119.294 119.294 118.809 0.485 17950 1682 1 5 . 1 1 47 47 VAL HA H 47 3.422 3.422 3.607 -0.185 17950 1683 1 5 . 1 1 47 47 VAL C C 47 176.899 176.899 177.217 -0.318 17950 1684 1 5 . 1 1 47 47 VAL CA C 47 65.439 65.439 65.538 -0.099 17950 1685 1 5 . 1 1 47 47 VAL CB C 47 31.863 31.863 31.707 0.156 17950 1686 1 5 . 1 1 47 47 VAL H H 47 7.329 7.329 7.979 -0.650 17950 1687 1 5 . 1 1 48 48 ASP N N 48 120.297 120.297 120.151 0.146 17950 1688 1 5 . 1 1 48 48 ASP HA H 48 4.358 4.358 4.463 -0.105 17950 1689 1 5 . 1 1 48 48 ASP C C 48 179.879 179.879 178.736 1.143 17950 1690 1 5 . 1 1 48 48 ASP CA C 48 57.162 57.162 57.329 -0.167 17950 1691 1 5 . 1 1 48 48 ASP CB C 48 41.040 41.040 40.511 0.529 17950 1692 1 5 . 1 1 48 48 ASP H H 48 7.597 7.597 7.893 -0.296 17950 1693 1 5 . 1 1 49 49 LEU N N 49 119.624 119.624 119.887 -0.263 17950 1694 1 5 . 1 1 49 49 LEU HA H 49 3.824 3.824 3.998 -0.174 17950 1695 1 5 . 1 1 49 49 LEU C C 49 176.207 176.207 178.794 -2.587 17950 1696 1 5 . 1 1 49 49 LEU CA C 49 59.202 59.202 58.302 0.900 17950 1697 1 5 . 1 1 49 49 LEU CB C 49 41.113 41.113 41.509 -0.396 17950 1698 1 5 . 1 1 49 49 LEU H H 49 7.835 7.835 7.520 0.315 17950 1699 1 5 . 1 1 50 50 LYS N N 50 119.306 119.306 117.140 2.166 17950 1700 1 5 . 1 1 50 50 LYS HA H 50 2.427 2.427 3.403 -0.976 17950 1701 1 5 . 1 1 50 50 LYS C C 50 178.745 178.745 178.332 0.413 17950 1702 1 5 . 1 1 50 50 LYS CA C 50 59.310 59.310 58.594 0.716 17950 1703 1 5 . 1 1 50 50 LYS CB C 50 31.906 31.906 30.978 0.928 17950 1704 1 5 . 1 1 50 50 LYS H H 50 6.788 6.788 7.528 -0.740 17950 1705 1 5 . 1 1 51 51 ASP N N 51 118.721 118.721 121.125 -2.404 17950 1706 1 5 . 1 1 51 51 ASP HA H 51 4.167 4.167 4.292 -0.125 17950 1707 1 5 . 1 1 51 51 ASP C C 51 178.461 178.461 178.375 0.086 17950 1708 1 5 . 1 1 51 51 ASP CA C 51 56.852 56.852 57.496 -0.644 17950 1709 1 5 . 1 1 51 51 ASP CB C 51 40.475 40.475 40.928 -0.453 17950 1710 1 5 . 1 1 51 51 ASP H H 51 8.203 8.203 8.121 0.082 17950 1711 1 5 . 1 1 52 52 LYS N N 52 121.009 121.009 119.619 1.390 17950 1712 1 5 . 1 1 52 52 LYS HA H 52 3.776 3.776 4.081 -0.305 17950 1713 1 5 . 1 1 52 52 LYS C C 52 178.328 178.328 178.718 -0.390 17950 1714 1 5 . 1 1 52 52 LYS CA C 52 56.841 56.841 59.215 -2.374 17950 1715 1 5 . 1 1 52 52 LYS CB C 52 31.473 31.473 32.139 -0.666 17950 1716 1 5 . 1 1 52 52 LYS H H 52 7.842 7.842 8.252 -0.410 17950 1717 1 5 . 1 1 53 53 TRP N N 53 119.577 119.577 120.535 -0.958 17950 1718 1 5 . 1 1 53 53 TRP HA H 53 4.121 4.121 4.282 -0.161 17950 1719 1 5 . 1 1 53 53 TRP C C 53 178.056 178.056 178.186 -0.130 17950 1720 1 5 . 1 1 53 53 TRP CA C 53 59.505 59.505 59.517 -0.012 17950 1721 1 5 . 1 1 53 53 TRP CB C 53 30.004 30.004 29.968 0.036 17950 1722 1 5 . 1 1 53 53 TRP H H 53 8.469 8.469 7.748 0.721 17950 1723 1 5 . 1 1 54 54 ARG N N 54 117.607 117.607 119.671 -2.064 17950 1724 1 5 . 1 1 54 54 ARG HA H 54 3.721 3.721 3.857 -0.136 17950 1725 1 5 . 1 1 54 54 ARG C C 54 177.399 177.399 178.134 -0.735 17950 1726 1 5 . 1 1 54 54 ARG CA C 54 59.030 59.030 59.248 -0.218 17950 1727 1 5 . 1 1 54 54 ARG CB C 54 29.401 29.401 29.964 -0.563 17950 1728 1 5 . 1 1 54 54 ARG H H 54 7.527 7.527 8.287 -0.760 17950 1729 1 5 . 1 1 55 55 ASN N N 55 115.552 115.552 118.100 -2.548 17950 1730 1 5 . 1 1 55 55 ASN HA H 55 4.387 4.387 4.525 -0.138 17950 1731 1 5 . 1 1 55 55 ASN C C 55 176.869 176.869 177.759 -0.890 17950 1732 1 5 . 1 1 55 55 ASN CA C 55 55.320 55.320 55.941 -0.621 17950 1733 1 5 . 1 1 55 55 ASN CB C 55 39.679 39.679 38.712 0.967 17950 1734 1 5 . 1 1 55 55 ASN H H 55 7.242 7.242 7.826 -0.584 17950 1735 1 5 . 1 1 56 56 ILE N N 56 117.285 117.285 118.101 -0.816 17950 1736 1 5 . 1 1 56 56 ILE HA H 56 3.768 3.768 3.886 -0.118 17950 1737 1 5 . 1 1 56 56 ILE C C 56 176.781 176.781 176.061 0.720 17950 1738 1 5 . 1 1 56 56 ILE CA C 56 62.932 62.932 63.595 -0.663 17950 1739 1 5 . 1 1 56 56 ILE CB C 56 38.341 38.341 38.255 0.086 17950 1740 1 5 . 1 1 56 56 ILE H H 56 7.760 7.760 7.547 0.213 17950 1741 1 5 . 1 1 57 57 SER N N 57 116.184 116.184 113.852 2.332 17950 1742 1 5 . 1 1 57 57 SER HA H 57 3.676 3.676 4.124 -0.448 17950 1743 1 5 . 1 1 57 57 SER C C 57 174.964 174.964 176.676 -1.712 17950 1744 1 5 . 1 1 57 57 SER CA C 57 59.435 59.435 60.123 -0.688 17950 1745 1 5 . 1 1 57 57 SER CB C 57 63.062 63.062 63.722 -0.660 17950 1746 1 5 . 1 1 57 57 SER H H 57 7.635 7.635 7.231 0.404 17950 1747 1 5 . 1 1 58 58 VAL N N 58 119.671 119.671 122.813 -3.142 17950 1748 1 5 . 1 1 58 58 VAL HA H 58 3.959 3.959 3.803 0.156 17950 1749 1 5 . 1 1 58 58 VAL C C 58 176.787 176.787 176.371 0.416 17950 1750 1 5 . 1 1 58 58 VAL CA C 58 63.249 63.249 65.114 -1.865 17950 1751 1 5 . 1 1 58 58 VAL CB C 58 31.964 31.964 31.766 0.198 17950 1752 1 5 . 1 1 58 58 VAL H H 58 7.454 7.454 8.186 -0.732 17950 1753 1 5 . 1 1 59 59 THR N N 59 114.912 114.912 110.303 4.609 17950 1754 1 5 . 1 1 59 59 THR HA H 59 3.924 3.924 4.573 -0.649 17950 1755 1 5 . 1 1 59 59 THR C C 59 174.839 174.839 174.927 -0.088 17950 1756 1 5 . 1 1 59 59 THR CA C 59 62.616 62.616 61.766 0.850 17950 1757 1 5 . 1 1 59 59 THR CB C 59 69.358 69.358 68.504 0.854 17950 1758 1 5 . 1 1 59 59 THR H H 59 7.681 7.681 7.490 0.191 17950 1759 1 5 . 1 1 60 60 ALA N N 60 124.969 124.969 125.526 -0.557 17950 1760 1 5 . 1 1 60 60 ALA HA H 60 4.094 4.094 4.500 -0.406 17950 1761 1 5 . 1 1 60 60 ALA C C 60 177.636 177.636 177.961 -0.325 17950 1762 1 5 . 1 1 60 60 ALA CA C 60 52.909 52.909 53.974 -1.065 17950 1763 1 5 . 1 1 60 60 ALA CB C 60 18.757 18.757 19.455 -0.698 17950 1764 1 5 . 1 1 60 60 ALA H H 60 7.939 7.939 7.813 0.126 17950 1765 1 5 . 1 1 61 61 LEU N N 61 119.572 119.572 113.691 5.881 17950 1766 1 5 . 1 1 61 61 LEU HA H 61 4.150 4.150 4.844 -0.694 17950 1767 1 5 . 1 1 61 61 LEU C C 61 177.260 177.260 177.803 -0.543 17950 1768 1 5 . 1 1 61 61 LEU CA C 61 55.183 55.183 53.230 1.953 17950 1769 1 5 . 1 1 61 61 LEU CB C 61 41.901 41.901 41.504 0.397 17950 1770 1 5 . 1 1 61 61 LEU H H 61 7.812 7.812 7.837 -0.025 17950 1771 1 5 . 1 1 62 62 TRP N N 62 120.635 120.635 122.699 -2.064 17950 1772 1 5 . 1 1 62 62 TRP HA H 62 4.617 4.617 4.441 0.176 17950 1773 1 5 . 1 1 62 62 TRP C C 62 176.752 176.752 176.882 -0.130 17950 1774 1 5 . 1 1 62 62 TRP CA C 62 57.262 57.262 58.721 -1.459 17950 1775 1 5 . 1 1 62 62 TRP CB C 62 29.579 29.579 28.489 1.090 17950 1776 1 5 . 1 1 62 62 TRP H H 62 7.851 7.851 8.058 -0.207 17950 1777 1 5 . 1 1 63 63 GLY N N 63 110.695 110.695 106.240 4.455 17950 1778 1 5 . 1 1 63 63 GLY C C 63 173.238 173.238 174.993 -1.755 17950 1779 1 5 . 1 1 63 63 GLY CA C 63 45.357 45.357 44.389 0.968 17950 1780 1 5 . 1 1 63 63 GLY H H 63 8.132 8.132 7.503 0.629 17950 1781 1 6 . 1 1 2 2 GLY N N 2 110.542 110.542 108.469 2.073 17950 1782 1 6 . 1 1 2 2 GLY C C 2 173.237 173.237 172.928 0.309 17950 1783 1 6 . 1 1 2 2 GLY CA C 2 44.918 44.918 44.785 0.133 17950 1784 1 6 . 1 1 2 2 GLY H H 2 8.335 8.335 8.177 0.158 17950 1785 1 6 . 1 1 3 3 ALA N N 3 124.917 124.917 123.714 1.203 17950 1786 1 6 . 1 1 3 3 ALA HA H 3 4.513 4.513 4.599 -0.086 17950 1787 1 6 . 1 1 3 3 ALA CA C 3 50.370 50.370 50.935 -0.565 17950 1788 1 6 . 1 1 3 3 ALA CB C 3 18.052 18.052 19.063 -1.011 17950 1789 1 6 . 1 1 3 3 ALA H H 3 8.069 8.069 8.347 -0.278 17950 1790 1 6 . 1 1 4 4 PRO HA H 4 4.341 4.341 4.323 0.018 17950 1791 1 6 . 1 1 4 4 PRO C C 4 177.068 177.068 176.286 0.782 17950 1792 1 6 . 1 1 4 4 PRO CA C 4 63.007 63.007 63.379 -0.372 17950 1793 1 6 . 1 1 4 4 PRO CB C 4 32.015 32.015 32.075 -0.060 17950 1794 1 6 . 1 1 5 5 LYS N N 5 121.494 121.494 120.810 0.684 17950 1795 1 6 . 1 1 5 5 LYS HA H 5 4.180 4.180 4.302 -0.122 17950 1796 1 6 . 1 1 5 5 LYS C C 5 176.697 176.697 176.238 0.459 17950 1797 1 6 . 1 1 5 5 LYS CA C 5 56.140 56.140 55.959 0.181 17950 1798 1 6 . 1 1 5 5 LYS CB C 5 32.871 32.871 31.242 1.629 17950 1799 1 6 . 1 1 5 5 LYS H H 5 8.376 8.376 8.013 0.363 17950 1800 1 6 . 1 1 6 6 GLN N N 6 121.572 121.572 122.636 -1.064 17950 1801 1 6 . 1 1 6 6 GLN HA H 6 4.230 4.230 4.369 -0.139 17950 1802 1 6 . 1 1 6 6 GLN C C 6 176.847 176.847 175.608 1.239 17950 1803 1 6 . 1 1 6 6 GLN CA C 6 55.634 55.634 55.283 0.351 17950 1804 1 6 . 1 1 6 6 GLN CB C 6 29.290 29.290 30.219 -0.929 17950 1805 1 6 . 1 1 6 6 GLN H H 6 8.438 8.438 7.981 0.457 17950 1806 1 6 . 1 1 7 7 LYS N N 7 125.757 125.757 120.509 5.248 17950 1807 1 6 . 1 1 7 7 LYS HA H 7 4.259 4.259 4.155 0.104 17950 1808 1 6 . 1 1 7 7 LYS C C 7 176.770 176.770 176.352 0.418 17950 1809 1 6 . 1 1 7 7 LYS CA C 7 56.899 56.899 58.136 -1.236 17950 1810 1 6 . 1 1 7 7 LYS CB C 7 32.782 32.782 32.584 0.198 17950 1811 1 6 . 1 1 7 7 LYS H H 7 8.500 8.500 7.967 0.533 17950 1812 1 6 . 1 1 8 8 TRP N N 8 125.581 125.581 117.944 7.637 17950 1813 1 6 . 1 1 8 8 TRP HA H 8 4.504 4.504 4.939 -0.435 17950 1814 1 6 . 1 1 8 8 TRP C C 8 177.459 177.459 175.161 2.298 17950 1815 1 6 . 1 1 8 8 TRP CA C 8 57.777 57.777 55.463 2.314 17950 1816 1 6 . 1 1 8 8 TRP CB C 8 28.836 28.836 31.282 -2.446 17950 1817 1 6 . 1 1 8 8 TRP H H 8 8.959 8.959 7.205 1.754 17950 1818 1 6 . 1 1 9 9 THR N N 9 115.986 115.986 111.848 4.138 17950 1819 1 6 . 1 1 9 9 THR HA H 9 4.759 4.759 4.940 -0.181 17950 1820 1 6 . 1 1 9 9 THR CA C 9 59.565 59.565 58.778 0.787 17950 1821 1 6 . 1 1 9 9 THR CB C 9 68.786 68.786 70.854 -2.068 17950 1822 1 6 . 1 1 9 9 THR H H 9 9.105 9.105 8.563 0.542 17950 1823 1 6 . 1 1 10 10 PRO HA H 10 4.369 4.369 4.528 -0.159 17950 1824 1 6 . 1 1 10 10 PRO C C 10 180.115 180.115 178.737 1.378 17950 1825 1 6 . 1 1 10 10 PRO CA C 10 65.387 65.387 65.144 0.243 17950 1826 1 6 . 1 1 10 10 PRO CB C 10 31.739 31.739 32.059 -0.320 17950 1827 1 6 . 1 1 11 11 GLU N N 11 118.329 118.329 118.782 -0.453 17950 1828 1 6 . 1 1 11 11 GLU HA H 11 4.065 4.065 4.102 -0.037 17950 1829 1 6 . 1 1 11 11 GLU C C 11 180.122 180.122 178.925 1.197 17950 1830 1 6 . 1 1 11 11 GLU CA C 11 60.640 60.640 59.932 0.708 17950 1831 1 6 . 1 1 11 11 GLU CB C 11 28.680 28.680 29.237 -0.557 17950 1832 1 6 . 1 1 11 11 GLU H H 11 9.009 9.009 9.121 -0.112 17950 1833 1 6 . 1 1 12 12 GLU N N 12 121.178 121.178 118.702 2.476 17950 1834 1 6 . 1 1 12 12 GLU HA H 12 3.857 3.857 4.061 -0.204 17950 1835 1 6 . 1 1 12 12 GLU C C 12 179.021 179.021 178.927 0.094 17950 1836 1 6 . 1 1 12 12 GLU CA C 12 59.900 59.900 59.271 0.629 17950 1837 1 6 . 1 1 12 12 GLU CB C 12 32.276 32.276 29.434 2.842 17950 1838 1 6 . 1 1 12 12 GLU H H 12 7.952 7.952 7.748 0.204 17950 1839 1 6 . 1 1 13 13 GLU N N 13 118.771 118.771 119.554 -0.783 17950 1840 1 6 . 1 1 13 13 GLU HA H 13 3.928 3.928 4.044 -0.116 17950 1841 1 6 . 1 1 13 13 GLU C C 13 178.499 178.499 178.952 -0.453 17950 1842 1 6 . 1 1 13 13 GLU CA C 13 61.052 61.052 59.257 1.795 17950 1843 1 6 . 1 1 13 13 GLU CB C 13 29.552 29.552 29.452 0.100 17950 1844 1 6 . 1 1 13 13 GLU H H 13 8.446 8.446 7.599 0.847 17950 1845 1 6 . 1 1 14 14 ALA N N 14 120.274 120.274 120.904 -0.630 17950 1846 1 6 . 1 1 14 14 ALA HA H 14 4.095 4.095 4.104 -0.009 17950 1847 1 6 . 1 1 14 14 ALA C C 14 180.719 180.719 179.687 1.032 17950 1848 1 6 . 1 1 14 14 ALA CA C 14 55.053 55.053 54.923 0.130 17950 1849 1 6 . 1 1 14 14 ALA CB C 14 18.019 18.019 18.216 -0.197 17950 1850 1 6 . 1 1 14 14 ALA H H 14 8.434 8.434 8.498 -0.064 17950 1851 1 6 . 1 1 15 15 ALA N N 15 122.356 122.356 121.541 0.815 17950 1852 1 6 . 1 1 15 15 ALA HA H 15 4.381 4.381 3.714 0.667 17950 1853 1 6 . 1 1 15 15 ALA C C 15 178.553 178.553 178.702 -0.149 17950 1854 1 6 . 1 1 15 15 ALA CA C 15 54.786 54.786 54.385 0.401 17950 1855 1 6 . 1 1 15 15 ALA CB C 15 18.779 18.779 18.569 0.210 17950 1856 1 6 . 1 1 15 15 ALA H H 15 7.900 7.900 7.747 0.153 17950 1857 1 6 . 1 1 16 16 LEU N N 16 118.626 118.626 119.854 -1.228 17950 1858 1 6 . 1 1 16 16 LEU HA H 16 3.921 3.921 3.865 0.056 17950 1859 1 6 . 1 1 16 16 LEU C C 16 177.536 177.536 178.513 -0.977 17950 1860 1 6 . 1 1 16 16 LEU CA C 16 58.384 58.384 58.150 0.234 17950 1861 1 6 . 1 1 16 16 LEU CB C 16 42.189 42.189 42.094 0.095 17950 1862 1 6 . 1 1 16 16 LEU H H 16 8.182 8.182 7.911 0.271 17950 1863 1 6 . 1 1 17 17 LYS N N 17 117.009 117.009 118.884 -1.875 17950 1864 1 6 . 1 1 17 17 LYS HA H 17 3.906 3.906 3.903 0.003 17950 1865 1 6 . 1 1 17 17 LYS C C 17 178.796 178.796 178.816 -0.020 17950 1866 1 6 . 1 1 17 17 LYS CA C 17 60.496 60.496 59.701 0.795 17950 1867 1 6 . 1 1 17 17 LYS CB C 17 32.720 32.720 31.829 0.891 17950 1868 1 6 . 1 1 17 17 LYS H H 17 8.029 8.029 8.130 -0.101 17950 1869 1 6 . 1 1 18 18 ALA N N 18 121.422 121.422 120.681 0.741 17950 1870 1 6 . 1 1 18 18 ALA HA H 18 4.021 4.021 4.102 -0.081 17950 1871 1 6 . 1 1 18 18 ALA C C 18 180.627 180.627 179.795 0.832 17950 1872 1 6 . 1 1 18 18 ALA CA C 18 54.752 54.752 55.029 -0.278 17950 1873 1 6 . 1 1 18 18 ALA CB C 18 18.405 18.405 18.145 0.260 17950 1874 1 6 . 1 1 18 18 ALA H H 18 8.174 8.174 7.595 0.579 17950 1875 1 6 . 1 1 19 19 GLY N N 19 110.862 110.862 106.665 4.197 17950 1876 1 6 . 1 1 19 19 GLY C C 19 174.803 174.803 176.098 -1.295 17950 1877 1 6 . 1 1 19 19 GLY CA C 19 47.190 47.190 46.899 0.291 17950 1878 1 6 . 1 1 19 19 GLY H H 19 8.503 8.503 7.355 1.148 17950 1879 1 6 . 1 1 20 20 VAL N N 20 123.677 123.677 122.864 0.813 17950 1880 1 6 . 1 1 20 20 VAL HA H 20 3.166 3.166 3.932 -0.766 17950 1881 1 6 . 1 1 20 20 VAL C C 20 179.632 179.632 177.735 1.897 17950 1882 1 6 . 1 1 20 20 VAL CA C 20 65.603 65.603 66.292 -0.689 17950 1883 1 6 . 1 1 20 20 VAL CB C 20 30.946 30.946 32.091 -1.145 17950 1884 1 6 . 1 1 20 20 VAL H H 20 8.106 8.106 7.652 0.454 17950 1885 1 6 . 1 1 21 21 LEU N N 21 122.348 122.348 118.049 4.299 17950 1886 1 6 . 1 1 21 21 LEU HA H 21 3.894 3.894 4.096 -0.202 17950 1887 1 6 . 1 1 21 21 LEU C C 21 178.085 178.085 178.511 -0.426 17950 1888 1 6 . 1 1 21 21 LEU CA C 21 58.028 58.028 57.179 0.849 17950 1889 1 6 . 1 1 21 21 LEU CB C 21 41.401 41.401 41.881 -0.480 17950 1890 1 6 . 1 1 21 21 LEU H H 21 7.817 7.817 7.512 0.305 17950 1891 1 6 . 1 1 22 22 LYS N N 22 117.663 117.663 118.553 -0.890 17950 1892 1 6 . 1 1 22 22 LYS HA H 22 3.837 3.837 3.988 -0.151 17950 1893 1 6 . 1 1 22 22 LYS C C 22 177.740 177.740 178.414 -0.674 17950 1894 1 6 . 1 1 22 22 LYS CA C 22 59.206 59.206 58.874 0.332 17950 1895 1 6 . 1 1 22 22 LYS CB C 22 35.176 35.176 32.425 2.751 17950 1896 1 6 . 1 1 22 22 LYS H H 22 7.520 7.520 8.034 -0.514 17950 1897 1 6 . 1 1 23 23 HIS N N 23 113.904 113.904 113.916 -0.012 17950 1898 1 6 . 1 1 23 23 HIS HA H 23 4.625 4.625 4.615 0.010 17950 1899 1 6 . 1 1 23 23 HIS C C 23 176.122 176.122 175.488 0.634 17950 1900 1 6 . 1 1 23 23 HIS CA C 23 57.211 57.211 57.073 0.138 17950 1901 1 6 . 1 1 23 23 HIS CB C 23 33.414 33.414 32.644 0.770 17950 1902 1 6 . 1 1 23 23 HIS H H 23 8.311 8.311 7.739 0.572 17950 1903 1 6 . 1 1 24 24 GLY N N 24 110.098 110.098 105.628 4.470 17950 1904 1 6 . 1 1 24 24 GLY C C 24 173.041 173.041 172.560 0.481 17950 1905 1 6 . 1 1 24 24 GLY CA C 24 43.563 43.563 44.953 -1.390 17950 1906 1 6 . 1 1 24 24 GLY H H 24 8.158 8.158 7.573 0.585 17950 1907 1 6 . 1 1 25 25 THR N N 25 108.590 108.590 111.509 -2.919 17950 1908 1 6 . 1 1 25 25 THR HA H 25 3.123 3.123 4.189 -1.066 17950 1909 1 6 . 1 1 25 25 THR C C 25 174.866 174.866 175.605 -0.739 17950 1910 1 6 . 1 1 25 25 THR CA C 25 61.992 61.992 61.607 0.385 17950 1911 1 6 . 1 1 25 25 THR CB C 25 69.110 69.110 69.840 -0.730 17950 1912 1 6 . 1 1 25 25 THR H H 25 7.826 7.826 8.268 -0.442 17950 1913 1 6 . 1 1 26 26 GLY N N 26 106.794 106.794 109.521 -2.727 17950 1914 1 6 . 1 1 26 26 GLY C C 26 173.988 173.988 174.365 -0.377 17950 1915 1 6 . 1 1 26 26 GLY CA C 26 45.639 45.639 45.508 0.131 17950 1916 1 6 . 1 1 26 26 GLY H H 26 5.553 5.553 7.601 -2.048 17950 1917 1 6 . 1 1 27 27 LYS N N 27 122.617 122.617 119.252 3.365 17950 1918 1 6 . 1 1 27 27 LYS HA H 27 4.499 4.499 3.989 0.510 17950 1919 1 6 . 1 1 27 27 LYS C C 27 176.586 176.586 176.810 -0.224 17950 1920 1 6 . 1 1 27 27 LYS CA C 27 53.590 53.590 54.387 -0.797 17950 1921 1 6 . 1 1 27 27 LYS CB C 27 30.298 30.298 30.384 -0.086 17950 1922 1 6 . 1 1 27 27 LYS H H 27 7.025 7.025 7.725 -0.700 17950 1923 1 6 . 1 1 28 28 TRP N N 28 119.816 119.816 120.367 -0.551 17950 1924 1 6 . 1 1 28 28 TRP HA H 28 4.130 4.130 4.230 -0.100 17950 1925 1 6 . 1 1 28 28 TRP C C 28 178.012 178.012 177.645 0.367 17950 1926 1 6 . 1 1 28 28 TRP CA C 28 58.414 58.414 60.397 -1.983 17950 1927 1 6 . 1 1 28 28 TRP CB C 28 30.008 30.008 28.363 1.645 17950 1928 1 6 . 1 1 28 28 TRP H H 28 6.384 6.384 6.969 -0.585 17950 1929 1 6 . 1 1 29 29 ARG N N 29 115.616 115.616 119.889 -4.273 17950 1930 1 6 . 1 1 29 29 ARG HA H 29 3.963 3.963 4.090 -0.128 17950 1931 1 6 . 1 1 29 29 ARG C C 29 178.821 178.821 177.771 1.050 17950 1932 1 6 . 1 1 29 29 ARG CA C 29 59.381 59.381 59.146 0.235 17950 1933 1 6 . 1 1 29 29 ARG CB C 29 29.366 29.366 29.574 -0.208 17950 1934 1 6 . 1 1 29 29 ARG H H 29 8.465 8.465 7.649 0.816 17950 1935 1 6 . 1 1 30 30 THR N N 30 118.439 118.439 116.826 1.613 17950 1936 1 6 . 1 1 30 30 THR HA H 30 3.594 3.594 3.965 -0.371 17950 1937 1 6 . 1 1 30 30 THR C C 30 176.351 176.351 177.094 -0.743 17950 1938 1 6 . 1 1 30 30 THR CA C 30 66.347 66.347 66.399 -0.052 17950 1939 1 6 . 1 1 30 30 THR CB C 30 68.157 68.157 68.057 0.100 17950 1940 1 6 . 1 1 30 30 THR H H 30 7.451 7.451 7.770 -0.319 17950 1941 1 6 . 1 1 31 31 ILE N N 31 121.530 121.530 120.508 1.022 17950 1942 1 6 . 1 1 31 31 ILE HA H 31 3.403 3.403 3.793 -0.390 17950 1943 1 6 . 1 1 31 31 ILE C C 31 176.326 176.326 177.115 -0.789 17950 1944 1 6 . 1 1 31 31 ILE CA C 31 66.885 66.885 65.272 1.613 17950 1945 1 6 . 1 1 31 31 ILE CB C 31 38.320 38.320 37.800 0.520 17950 1946 1 6 . 1 1 31 31 ILE H H 31 7.551 7.551 8.257 -0.706 17950 1947 1 6 . 1 1 32 32 LEU N N 32 113.721 113.721 118.673 -4.952 17950 1948 1 6 . 1 1 32 32 LEU HA H 32 3.871 3.871 4.188 -0.317 17950 1949 1 6 . 1 1 32 32 LEU C C 32 177.633 177.633 178.606 -0.973 17950 1950 1 6 . 1 1 32 32 LEU CA C 32 56.846 56.846 56.779 0.067 17950 1951 1 6 . 1 1 32 32 LEU CB C 32 42.246 42.246 42.053 0.192 17950 1952 1 6 . 1 1 32 32 LEU H H 32 7.317 7.317 7.604 -0.287 17950 1953 1 6 . 1 1 33 33 SER N N 33 110.515 110.515 112.643 -2.128 17950 1954 1 6 . 1 1 33 33 SER HA H 33 4.442 4.442 4.311 0.131 17950 1955 1 6 . 1 1 33 33 SER C C 33 173.479 173.479 174.249 -0.770 17950 1956 1 6 . 1 1 33 33 SER CA C 33 58.210 58.210 59.999 -1.789 17950 1957 1 6 . 1 1 33 33 SER CB C 33 64.194 64.194 63.643 0.551 17950 1958 1 6 . 1 1 33 33 SER H H 33 7.389 7.389 7.776 -0.387 17950 1959 1 6 . 1 1 34 34 ASP N N 34 125.920 125.920 121.870 4.050 17950 1960 1 6 . 1 1 34 34 ASP HA H 34 4.617 4.617 4.627 -0.010 17950 1961 1 6 . 1 1 34 34 ASP C C 34 178.020 178.020 177.514 0.506 17950 1962 1 6 . 1 1 34 34 ASP CA C 34 53.652 53.652 54.948 -1.296 17950 1963 1 6 . 1 1 34 34 ASP CB C 34 42.056 42.056 42.022 0.034 17950 1964 1 6 . 1 1 34 34 ASP H H 34 7.426 7.426 7.918 -0.492 17950 1965 1 6 . 1 1 35 35 THR N N 35 122.180 122.180 122.724 -0.544 17950 1966 1 6 . 1 1 35 35 THR HA H 35 4.223 4.223 4.033 0.190 17950 1967 1 6 . 1 1 35 35 THR C C 35 175.997 175.997 176.369 -0.372 17950 1968 1 6 . 1 1 35 35 THR CA C 35 64.686 64.686 65.433 -0.747 17950 1969 1 6 . 1 1 35 35 THR CB C 35 68.728 68.728 68.888 -0.161 17950 1970 1 6 . 1 1 35 35 THR H H 35 8.689 8.689 8.483 0.206 17950 1971 1 6 . 1 1 36 36 GLU N N 36 122.403 122.403 121.832 0.571 17950 1972 1 6 . 1 1 36 36 GLU HA H 36 3.698 3.698 3.950 -0.252 17950 1973 1 6 . 1 1 36 36 GLU C C 36 177.497 177.497 176.340 1.157 17950 1974 1 6 . 1 1 36 36 GLU CA C 36 59.317 59.317 58.381 0.936 17950 1975 1 6 . 1 1 36 36 GLU CB C 36 29.107 29.107 29.284 -0.177 17950 1976 1 6 . 1 1 36 36 GLU H H 36 8.818 8.818 8.654 0.164 17950 1977 1 6 . 1 1 37 37 PHE N N 37 114.348 114.348 115.705 -1.357 17950 1978 1 6 . 1 1 37 37 PHE HA H 37 4.857 4.857 4.917 -0.060 17950 1979 1 6 . 1 1 37 37 PHE C C 37 177.191 177.191 175.307 1.884 17950 1980 1 6 . 1 1 37 37 PHE CA C 37 56.463 56.463 56.310 0.153 17950 1981 1 6 . 1 1 37 37 PHE CB C 37 41.086 41.086 39.451 1.635 17950 1982 1 6 . 1 1 37 37 PHE H H 37 7.477 7.477 7.483 -0.006 17950 1983 1 6 . 1 1 38 38 SER N N 38 114.722 114.722 117.050 -2.328 17950 1984 1 6 . 1 1 38 38 SER HA H 38 3.822 3.822 4.587 -0.765 17950 1985 1 6 . 1 1 38 38 SER C C 38 176.516 176.516 175.559 0.957 17950 1986 1 6 . 1 1 38 38 SER CA C 38 61.996 61.996 60.819 1.177 17950 1987 1 6 . 1 1 38 38 SER CB C 38 62.761 62.761 64.088 -1.327 17950 1988 1 6 . 1 1 38 38 SER H H 38 8.546 8.546 7.717 0.829 17950 1989 1 6 . 1 1 39 39 LEU N N 39 121.277 121.277 120.207 1.070 17950 1990 1 6 . 1 1 39 39 LEU HA H 39 4.213 4.213 4.247 -0.034 17950 1991 1 6 . 1 1 39 39 LEU C C 39 179.777 179.777 179.430 0.347 17950 1992 1 6 . 1 1 39 39 LEU CA C 39 57.171 57.171 57.547 -0.376 17950 1993 1 6 . 1 1 39 39 LEU CB C 39 41.340 41.340 42.397 -1.057 17950 1994 1 6 . 1 1 39 39 LEU H H 39 8.115 8.115 7.473 0.642 17950 1995 1 6 . 1 1 40 40 ILE N N 40 120.137 120.137 117.879 2.258 17950 1996 1 6 . 1 1 40 40 ILE HA H 40 3.701 3.701 4.006 -0.305 17950 1997 1 6 . 1 1 40 40 ILE C C 40 178.413 178.413 176.678 1.735 17950 1998 1 6 . 1 1 40 40 ILE CA C 40 63.624 63.624 63.884 -0.260 17950 1999 1 6 . 1 1 40 40 ILE CB C 40 38.778 38.778 38.090 0.688 17950 2000 1 6 . 1 1 40 40 ILE H H 40 7.525 7.525 8.018 -0.493 17950 2001 1 6 . 1 1 41 41 LEU N N 41 117.023 117.023 115.700 1.323 17950 2002 1 6 . 1 1 41 41 LEU HA H 41 4.406 4.406 4.804 -0.398 17950 2003 1 6 . 1 1 41 41 LEU C C 41 176.196 176.196 175.957 0.239 17950 2004 1 6 . 1 1 41 41 LEU CA C 41 54.256 54.256 53.092 1.164 17950 2005 1 6 . 1 1 41 41 LEU CB C 41 41.891 41.891 41.328 0.563 17950 2006 1 6 . 1 1 41 41 LEU H H 41 7.608 7.608 7.600 0.008 17950 2007 1 6 . 1 1 42 42 LYS N N 42 116.369 116.369 118.336 -1.967 17950 2008 1 6 . 1 1 42 42 LYS HA H 42 4.050 4.050 4.153 -0.103 17950 2009 1 6 . 1 1 42 42 LYS C C 42 177.139 177.139 177.439 -0.300 17950 2010 1 6 . 1 1 42 42 LYS CA C 42 59.111 59.111 58.081 1.030 17950 2011 1 6 . 1 1 42 42 LYS CB C 42 32.553 32.553 32.312 0.241 17950 2012 1 6 . 1 1 42 42 LYS H H 42 6.645 6.645 7.354 -0.709 17950 2013 1 6 . 1 1 43 43 SER N N 43 115.061 115.061 113.596 1.465 17950 2014 1 6 . 1 1 43 43 SER HA H 43 4.407 4.407 4.370 0.037 17950 2015 1 6 . 1 1 43 43 SER C C 43 173.754 173.754 174.588 -0.834 17950 2016 1 6 . 1 1 43 43 SER CA C 43 58.850 58.850 59.913 -1.063 17950 2017 1 6 . 1 1 43 43 SER CB C 43 63.117 63.117 63.304 -0.188 17950 2018 1 6 . 1 1 43 43 SER H H 43 8.443 8.443 8.392 0.051 17950 2019 1 6 . 1 1 44 44 ARG N N 44 119.658 119.658 118.693 0.965 17950 2020 1 6 . 1 1 44 44 ARG HA H 44 4.674 4.674 4.586 0.088 17950 2021 1 6 . 1 1 44 44 ARG C C 44 174.410 174.410 174.624 -0.214 17950 2022 1 6 . 1 1 44 44 ARG CA C 44 52.244 52.244 54.538 -2.294 17950 2023 1 6 . 1 1 44 44 ARG CB C 44 31.309 31.309 32.387 -1.078 17950 2024 1 6 . 1 1 44 44 ARG H H 44 8.036 8.036 7.887 0.149 17950 2025 1 6 . 1 1 45 45 SER N N 45 116.676 116.676 114.269 2.407 17950 2026 1 6 . 1 1 45 45 SER HA H 45 4.764 4.764 4.834 -0.070 17950 2027 1 6 . 1 1 45 45 SER C C 45 175.294 175.294 175.370 -0.076 17950 2028 1 6 . 1 1 45 45 SER CA C 45 55.857 55.857 56.962 -1.105 17950 2029 1 6 . 1 1 45 45 SER CB C 45 66.828 66.828 66.183 0.645 17950 2030 1 6 . 1 1 45 45 SER H H 45 9.180 9.180 8.500 0.680 17950 2031 1 6 . 1 1 46 46 ASN N N 46 118.004 118.004 119.848 -1.844 17950 2032 1 6 . 1 1 46 46 ASN HA H 46 3.954 3.954 4.502 -0.548 17950 2033 1 6 . 1 1 46 46 ASN C C 46 176.356 176.356 176.893 -0.537 17950 2034 1 6 . 1 1 46 46 ASN CA C 46 57.734 57.734 56.180 1.554 17950 2035 1 6 . 1 1 46 46 ASN CB C 46 36.901 36.901 37.713 -0.812 17950 2036 1 6 . 1 1 46 46 ASN H H 46 9.005 9.005 8.878 0.127 17950 2037 1 6 . 1 1 47 47 VAL N N 47 119.294 119.294 120.059 -0.765 17950 2038 1 6 . 1 1 47 47 VAL HA H 47 3.422 3.422 3.542 -0.120 17950 2039 1 6 . 1 1 47 47 VAL C C 47 176.899 176.899 178.145 -1.246 17950 2040 1 6 . 1 1 47 47 VAL CA C 47 65.439 65.439 66.396 -0.957 17950 2041 1 6 . 1 1 47 47 VAL CB C 47 31.863 31.863 31.260 0.603 17950 2042 1 6 . 1 1 47 47 VAL H H 47 7.329 7.329 8.045 -0.716 17950 2043 1 6 . 1 1 48 48 ASP N N 48 120.297 120.297 119.662 0.635 17950 2044 1 6 . 1 1 48 48 ASP HA H 48 4.358 4.358 4.453 -0.095 17950 2045 1 6 . 1 1 48 48 ASP C C 48 179.879 179.879 178.880 0.999 17950 2046 1 6 . 1 1 48 48 ASP CA C 48 57.162 57.162 57.651 -0.489 17950 2047 1 6 . 1 1 48 48 ASP CB C 48 41.040 41.040 40.691 0.349 17950 2048 1 6 . 1 1 48 48 ASP H H 48 7.597 7.597 7.834 -0.237 17950 2049 1 6 . 1 1 49 49 LEU N N 49 119.624 119.624 119.732 -0.108 17950 2050 1 6 . 1 1 49 49 LEU HA H 49 3.824 3.824 4.217 -0.393 17950 2051 1 6 . 1 1 49 49 LEU C C 49 176.207 176.207 178.827 -2.620 17950 2052 1 6 . 1 1 49 49 LEU CA C 49 59.202 59.202 57.770 1.432 17950 2053 1 6 . 1 1 49 49 LEU CB C 49 41.113 41.113 41.581 -0.468 17950 2054 1 6 . 1 1 49 49 LEU H H 49 7.835 7.835 7.316 0.519 17950 2055 1 6 . 1 1 50 50 LYS N N 50 119.306 119.306 120.321 -1.015 17950 2056 1 6 . 1 1 50 50 LYS HA H 50 2.427 2.427 4.089 -1.662 17950 2057 1 6 . 1 1 50 50 LYS C C 50 178.745 178.745 178.538 0.207 17950 2058 1 6 . 1 1 50 50 LYS CA C 50 59.310 59.310 59.682 -0.372 17950 2059 1 6 . 1 1 50 50 LYS CB C 50 31.906 31.906 31.965 -0.059 17950 2060 1 6 . 1 1 50 50 LYS H H 50 6.788 6.788 8.095 -1.307 17950 2061 1 6 . 1 1 51 51 ASP N N 51 118.721 118.721 120.152 -1.431 17950 2062 1 6 . 1 1 51 51 ASP HA H 51 4.167 4.167 4.361 -0.194 17950 2063 1 6 . 1 1 51 51 ASP C C 51 178.461 178.461 178.641 -0.180 17950 2064 1 6 . 1 1 51 51 ASP CA C 51 56.852 56.852 57.457 -0.605 17950 2065 1 6 . 1 1 51 51 ASP CB C 51 40.475 40.475 40.664 -0.189 17950 2066 1 6 . 1 1 51 51 ASP H H 51 8.203 8.203 8.425 -0.222 17950 2067 1 6 . 1 1 52 52 LYS N N 52 121.009 121.009 119.122 1.887 17950 2068 1 6 . 1 1 52 52 LYS HA H 52 3.776 3.776 4.026 -0.250 17950 2069 1 6 . 1 1 52 52 LYS C C 52 178.328 178.328 178.980 -0.652 17950 2070 1 6 . 1 1 52 52 LYS CA C 52 56.841 56.841 59.160 -2.318 17950 2071 1 6 . 1 1 52 52 LYS CB C 52 31.473 31.473 32.264 -0.791 17950 2072 1 6 . 1 1 52 52 LYS H H 52 7.842 7.842 7.777 0.065 17950 2073 1 6 . 1 1 53 53 TRP N N 53 119.577 119.577 121.010 -1.433 17950 2074 1 6 . 1 1 53 53 TRP HA H 53 4.121 4.121 4.270 -0.149 17950 2075 1 6 . 1 1 53 53 TRP C C 53 178.056 178.056 178.060 -0.004 17950 2076 1 6 . 1 1 53 53 TRP CA C 53 59.505 59.505 61.047 -1.542 17950 2077 1 6 . 1 1 53 53 TRP CB C 53 30.004 30.004 29.497 0.507 17950 2078 1 6 . 1 1 53 53 TRP H H 53 8.469 8.469 7.853 0.616 17950 2079 1 6 . 1 1 54 54 ARG N N 54 117.607 117.607 120.215 -2.608 17950 2080 1 6 . 1 1 54 54 ARG HA H 54 3.721 3.721 3.755 -0.034 17950 2081 1 6 . 1 1 54 54 ARG C C 54 177.399 177.399 177.997 -0.598 17950 2082 1 6 . 1 1 54 54 ARG CA C 54 59.030 59.030 59.583 -0.553 17950 2083 1 6 . 1 1 54 54 ARG CB C 54 29.401 29.401 29.853 -0.452 17950 2084 1 6 . 1 1 54 54 ARG H H 54 7.527 7.527 8.407 -0.880 17950 2085 1 6 . 1 1 55 55 ASN N N 55 115.552 115.552 118.213 -2.661 17950 2086 1 6 . 1 1 55 55 ASN HA H 55 4.387 4.387 4.407 -0.020 17950 2087 1 6 . 1 1 55 55 ASN C C 55 176.869 176.869 177.901 -1.032 17950 2088 1 6 . 1 1 55 55 ASN CA C 55 55.320 55.320 56.318 -0.998 17950 2089 1 6 . 1 1 55 55 ASN CB C 55 39.679 39.679 38.531 1.148 17950 2090 1 6 . 1 1 55 55 ASN H H 55 7.242 7.242 8.010 -0.768 17950 2091 1 6 . 1 1 56 56 ILE N N 56 117.285 117.285 117.629 -0.344 17950 2092 1 6 . 1 1 56 56 ILE HA H 56 3.768 3.768 3.851 -0.083 17950 2093 1 6 . 1 1 56 56 ILE C C 56 176.781 176.781 175.839 0.942 17950 2094 1 6 . 1 1 56 56 ILE CA C 56 62.932 62.932 63.551 -0.619 17950 2095 1 6 . 1 1 56 56 ILE CB C 56 38.341 38.341 37.983 0.358 17950 2096 1 6 . 1 1 56 56 ILE H H 56 7.760 7.760 7.560 0.200 17950 2097 1 6 . 1 1 57 57 SER N N 57 116.184 116.184 114.476 1.708 17950 2098 1 6 . 1 1 57 57 SER HA H 57 3.676 3.676 4.025 -0.349 17950 2099 1 6 . 1 1 57 57 SER C C 57 174.964 174.964 176.633 -1.669 17950 2100 1 6 . 1 1 57 57 SER CA C 57 59.435 59.435 60.400 -0.965 17950 2101 1 6 . 1 1 57 57 SER CB C 57 63.062 63.062 63.004 0.058 17950 2102 1 6 . 1 1 57 57 SER H H 57 7.635 7.635 6.895 0.740 17950 2103 1 6 . 1 1 58 58 VAL N N 58 119.671 119.671 121.108 -1.437 17950 2104 1 6 . 1 1 58 58 VAL HA H 58 3.959 3.959 3.656 0.303 17950 2105 1 6 . 1 1 58 58 VAL C C 58 176.787 176.787 175.766 1.021 17950 2106 1 6 . 1 1 58 58 VAL CA C 58 63.249 63.249 65.992 -2.743 17950 2107 1 6 . 1 1 58 58 VAL CB C 58 31.964 31.964 32.327 -0.363 17950 2108 1 6 . 1 1 58 58 VAL H H 58 7.454 7.454 8.093 -0.639 17950 2109 1 6 . 1 1 59 59 THR N N 59 114.912 114.912 111.380 3.532 17950 2110 1 6 . 1 1 59 59 THR HA H 59 3.924 3.924 4.517 -0.593 17950 2111 1 6 . 1 1 59 59 THR C C 59 174.839 174.839 173.335 1.504 17950 2112 1 6 . 1 1 59 59 THR CA C 59 62.616 62.616 60.478 2.138 17950 2113 1 6 . 1 1 59 59 THR CB C 59 69.358 69.358 68.468 0.890 17950 2114 1 6 . 1 1 59 59 THR H H 59 7.681 7.681 7.296 0.385 17950 2115 1 6 . 1 1 60 60 ALA N N 60 124.969 124.969 129.074 -4.105 17950 2116 1 6 . 1 1 60 60 ALA HA H 60 4.094 4.094 4.541 -0.447 17950 2117 1 6 . 1 1 60 60 ALA C C 60 177.636 177.636 178.030 -0.394 17950 2118 1 6 . 1 1 60 60 ALA CA C 60 52.909 52.909 53.397 -0.487 17950 2119 1 6 . 1 1 60 60 ALA CB C 60 18.757 18.757 19.518 -0.761 17950 2120 1 6 . 1 1 60 60 ALA H H 60 7.939 7.939 8.093 -0.154 17950 2121 1 6 . 1 1 61 61 LEU N N 61 119.572 119.572 115.148 4.424 17950 2122 1 6 . 1 1 61 61 LEU HA H 61 4.150 4.150 4.491 -0.341 17950 2123 1 6 . 1 1 61 61 LEU C C 61 177.260 177.260 177.078 0.182 17950 2124 1 6 . 1 1 61 61 LEU CA C 61 55.183 55.183 54.921 0.262 17950 2125 1 6 . 1 1 61 61 LEU CB C 61 41.901 41.901 41.953 -0.052 17950 2126 1 6 . 1 1 61 61 LEU H H 61 7.812 7.812 8.083 -0.271 17950 2127 1 6 . 1 1 62 62 TRP N N 62 120.635 120.635 121.452 -0.817 17950 2128 1 6 . 1 1 62 62 TRP HA H 62 4.617 4.617 4.427 0.190 17950 2129 1 6 . 1 1 62 62 TRP C C 62 176.752 176.752 178.289 -1.537 17950 2130 1 6 . 1 1 62 62 TRP CA C 62 57.262 57.262 58.851 -1.589 17950 2131 1 6 . 1 1 62 62 TRP CB C 62 29.579 29.579 29.346 0.233 17950 2132 1 6 . 1 1 62 62 TRP H H 62 7.851 7.851 7.871 -0.020 17950 2133 1 6 . 1 1 63 63 GLY N N 63 110.695 110.695 113.962 -3.267 17950 2134 1 6 . 1 1 63 63 GLY C C 63 173.238 173.238 175.103 -1.865 17950 2135 1 6 . 1 1 63 63 GLY CA C 63 45.357 45.357 45.182 0.175 17950 2136 1 6 . 1 1 63 63 GLY H H 63 8.132 8.132 8.672 -0.540 17950 2137 1 7 . 1 1 2 2 GLY N N 2 110.542 110.542 109.154 1.388 17950 2138 1 7 . 1 1 2 2 GLY C C 2 173.237 173.237 172.564 0.673 17950 2139 1 7 . 1 1 2 2 GLY CA C 2 44.918 44.918 45.327 -0.409 17950 2140 1 7 . 1 1 2 2 GLY H H 2 8.335 8.335 8.714 -0.379 17950 2141 1 7 . 1 1 3 3 ALA N N 3 124.917 124.917 121.814 3.103 17950 2142 1 7 . 1 1 3 3 ALA HA H 3 4.513 4.513 4.613 -0.100 17950 2143 1 7 . 1 1 3 3 ALA CA C 3 50.370 50.370 51.863 -1.493 17950 2144 1 7 . 1 1 3 3 ALA CB C 3 18.052 18.052 20.130 -2.078 17950 2145 1 7 . 1 1 3 3 ALA H H 3 8.069 8.069 8.162 -0.093 17950 2146 1 7 . 1 1 4 4 PRO HA H 4 4.341 4.341 4.557 -0.216 17950 2147 1 7 . 1 1 4 4 PRO C C 4 177.068 177.068 175.680 1.388 17950 2148 1 7 . 1 1 4 4 PRO CA C 4 63.007 63.007 63.185 -0.178 17950 2149 1 7 . 1 1 4 4 PRO CB C 4 32.015 32.015 30.581 1.434 17950 2150 1 7 . 1 1 5 5 LYS N N 5 121.494 121.494 121.081 0.413 17950 2151 1 7 . 1 1 5 5 LYS HA H 5 4.180 4.180 4.367 -0.187 17950 2152 1 7 . 1 1 5 5 LYS C C 5 176.697 176.697 176.984 -0.287 17950 2153 1 7 . 1 1 5 5 LYS CA C 5 56.140 56.140 56.588 -0.448 17950 2154 1 7 . 1 1 5 5 LYS CB C 5 32.871 32.871 33.465 -0.594 17950 2155 1 7 . 1 1 5 5 LYS H H 5 8.376 8.376 8.491 -0.115 17950 2156 1 7 . 1 1 6 6 GLN N N 6 121.572 121.572 120.010 1.562 17950 2157 1 7 . 1 1 6 6 GLN HA H 6 4.230 4.230 4.167 0.063 17950 2158 1 7 . 1 1 6 6 GLN C C 6 176.847 176.847 175.176 1.671 17950 2159 1 7 . 1 1 6 6 GLN CA C 6 55.634 55.634 56.065 -0.431 17950 2160 1 7 . 1 1 6 6 GLN CB C 6 29.290 29.290 29.538 -0.248 17950 2161 1 7 . 1 1 6 6 GLN H H 6 8.438 8.438 8.200 0.238 17950 2162 1 7 . 1 1 7 7 LYS N N 7 125.757 125.757 118.473 7.284 17950 2163 1 7 . 1 1 7 7 LYS HA H 7 4.259 4.259 4.363 -0.104 17950 2164 1 7 . 1 1 7 7 LYS C C 7 176.770 176.770 174.896 1.874 17950 2165 1 7 . 1 1 7 7 LYS CA C 7 56.899 56.899 55.457 1.442 17950 2166 1 7 . 1 1 7 7 LYS CB C 7 32.782 32.782 32.295 0.487 17950 2167 1 7 . 1 1 7 7 LYS H H 7 8.500 8.500 7.633 0.867 17950 2168 1 7 . 1 1 8 8 TRP N N 8 125.581 125.581 119.530 6.051 17950 2169 1 7 . 1 1 8 8 TRP HA H 8 4.504 4.504 4.990 -0.486 17950 2170 1 7 . 1 1 8 8 TRP C C 8 177.459 177.459 175.579 1.880 17950 2171 1 7 . 1 1 8 8 TRP CA C 8 57.777 57.777 55.742 2.035 17950 2172 1 7 . 1 1 8 8 TRP CB C 8 28.836 28.836 31.255 -2.418 17950 2173 1 7 . 1 1 8 8 TRP H H 8 8.959 8.959 7.431 1.528 17950 2174 1 7 . 1 1 9 9 THR N N 9 115.986 115.986 114.163 1.823 17950 2175 1 7 . 1 1 9 9 THR HA H 9 4.759 4.759 5.022 -0.263 17950 2176 1 7 . 1 1 9 9 THR CA C 9 59.565 59.565 59.510 0.055 17950 2177 1 7 . 1 1 9 9 THR CB C 9 68.786 68.786 70.320 -1.534 17950 2178 1 7 . 1 1 9 9 THR H H 9 9.105 9.105 8.466 0.639 17950 2179 1 7 . 1 1 10 10 PRO HA H 10 4.369 4.369 4.435 -0.066 17950 2180 1 7 . 1 1 10 10 PRO C C 10 180.115 180.115 178.715 1.400 17950 2181 1 7 . 1 1 10 10 PRO CA C 10 65.387 65.387 64.814 0.573 17950 2182 1 7 . 1 1 10 10 PRO CB C 10 31.739 31.739 32.092 -0.353 17950 2183 1 7 . 1 1 11 11 GLU N N 11 118.329 118.329 118.861 -0.532 17950 2184 1 7 . 1 1 11 11 GLU HA H 11 4.065 4.065 4.025 0.040 17950 2185 1 7 . 1 1 11 11 GLU C C 11 180.122 180.122 178.833 1.289 17950 2186 1 7 . 1 1 11 11 GLU CA C 11 60.640 60.640 60.159 0.481 17950 2187 1 7 . 1 1 11 11 GLU CB C 11 28.680 28.680 29.419 -0.739 17950 2188 1 7 . 1 1 11 11 GLU H H 11 9.009 9.009 9.048 -0.039 17950 2189 1 7 . 1 1 12 12 GLU N N 12 121.178 121.178 118.297 2.881 17950 2190 1 7 . 1 1 12 12 GLU HA H 12 3.857 3.857 4.050 -0.193 17950 2191 1 7 . 1 1 12 12 GLU C C 12 179.021 179.021 179.137 -0.116 17950 2192 1 7 . 1 1 12 12 GLU CA C 12 59.900 59.900 59.832 0.068 17950 2193 1 7 . 1 1 12 12 GLU CB C 12 32.276 32.276 29.130 3.146 17950 2194 1 7 . 1 1 12 12 GLU H H 12 7.952 7.952 7.941 0.011 17950 2195 1 7 . 1 1 13 13 GLU N N 13 118.771 118.771 119.670 -0.899 17950 2196 1 7 . 1 1 13 13 GLU HA H 13 3.928 3.928 4.091 -0.163 17950 2197 1 7 . 1 1 13 13 GLU C C 13 178.499 178.499 178.757 -0.258 17950 2198 1 7 . 1 1 13 13 GLU CA C 13 61.052 61.052 59.293 1.759 17950 2199 1 7 . 1 1 13 13 GLU CB C 13 29.552 29.552 29.217 0.335 17950 2200 1 7 . 1 1 13 13 GLU H H 13 8.446 8.446 7.571 0.875 17950 2201 1 7 . 1 1 14 14 ALA N N 14 120.274 120.274 121.213 -0.939 17950 2202 1 7 . 1 1 14 14 ALA HA H 14 4.095 4.095 4.073 0.022 17950 2203 1 7 . 1 1 14 14 ALA C C 14 180.719 180.719 179.822 0.897 17950 2204 1 7 . 1 1 14 14 ALA CA C 14 55.053 55.053 54.992 0.061 17950 2205 1 7 . 1 1 14 14 ALA CB C 14 18.019 18.019 18.215 -0.196 17950 2206 1 7 . 1 1 14 14 ALA H H 14 8.434 8.434 8.075 0.359 17950 2207 1 7 . 1 1 15 15 ALA N N 15 122.356 122.356 121.381 0.975 17950 2208 1 7 . 1 1 15 15 ALA HA H 15 4.381 4.381 4.102 0.279 17950 2209 1 7 . 1 1 15 15 ALA C C 15 178.553 178.553 179.066 -0.513 17950 2210 1 7 . 1 1 15 15 ALA CA C 15 54.786 54.786 54.782 0.004 17950 2211 1 7 . 1 1 15 15 ALA CB C 15 18.779 18.779 18.710 0.069 17950 2212 1 7 . 1 1 15 15 ALA H H 15 7.900 7.900 8.072 -0.172 17950 2213 1 7 . 1 1 16 16 LEU N N 16 118.626 118.626 119.878 -1.252 17950 2214 1 7 . 1 1 16 16 LEU HA H 16 3.921 3.921 3.785 0.136 17950 2215 1 7 . 1 1 16 16 LEU C C 16 177.536 177.536 178.520 -0.984 17950 2216 1 7 . 1 1 16 16 LEU CA C 16 58.384 58.384 58.135 0.249 17950 2217 1 7 . 1 1 16 16 LEU CB C 16 42.189 42.189 42.045 0.144 17950 2218 1 7 . 1 1 16 16 LEU H H 16 8.182 8.182 8.165 0.017 17950 2219 1 7 . 1 1 17 17 LYS N N 17 117.009 117.009 118.517 -1.508 17950 2220 1 7 . 1 1 17 17 LYS HA H 17 3.906 3.906 3.706 0.200 17950 2221 1 7 . 1 1 17 17 LYS C C 17 178.796 178.796 178.688 0.108 17950 2222 1 7 . 1 1 17 17 LYS CA C 17 60.496 60.496 59.391 1.105 17950 2223 1 7 . 1 1 17 17 LYS CB C 17 32.720 32.720 31.757 0.963 17950 2224 1 7 . 1 1 17 17 LYS H H 17 8.029 8.029 8.095 -0.066 17950 2225 1 7 . 1 1 18 18 ALA N N 18 121.422 121.422 120.367 1.055 17950 2226 1 7 . 1 1 18 18 ALA HA H 18 4.021 4.021 4.050 -0.029 17950 2227 1 7 . 1 1 18 18 ALA C C 18 180.627 180.627 179.546 1.081 17950 2228 1 7 . 1 1 18 18 ALA CA C 18 54.752 54.752 54.911 -0.159 17950 2229 1 7 . 1 1 18 18 ALA CB C 18 18.405 18.405 18.027 0.378 17950 2230 1 7 . 1 1 18 18 ALA H H 18 8.174 8.174 7.653 0.521 17950 2231 1 7 . 1 1 19 19 GLY N N 19 110.862 110.862 106.600 4.262 17950 2232 1 7 . 1 1 19 19 GLY C C 19 174.803 174.803 175.941 -1.138 17950 2233 1 7 . 1 1 19 19 GLY CA C 19 47.190 47.190 46.409 0.781 17950 2234 1 7 . 1 1 19 19 GLY H H 19 8.503 8.503 6.991 1.512 17950 2235 1 7 . 1 1 20 20 VAL N N 20 123.677 123.677 122.763 0.914 17950 2236 1 7 . 1 1 20 20 VAL HA H 20 3.166 3.166 3.347 -0.181 17950 2237 1 7 . 1 1 20 20 VAL C C 20 179.632 179.632 177.182 2.450 17950 2238 1 7 . 1 1 20 20 VAL CA C 20 65.603 65.603 65.928 -0.325 17950 2239 1 7 . 1 1 20 20 VAL CB C 20 30.946 30.946 31.669 -0.723 17950 2240 1 7 . 1 1 20 20 VAL H H 20 8.106 8.106 7.220 0.886 17950 2241 1 7 . 1 1 21 21 LEU N N 21 122.348 122.348 118.301 4.047 17950 2242 1 7 . 1 1 21 21 LEU HA H 21 3.894 3.894 4.026 -0.132 17950 2243 1 7 . 1 1 21 21 LEU C C 21 178.085 178.085 178.417 -0.332 17950 2244 1 7 . 1 1 21 21 LEU CA C 21 58.028 58.028 57.203 0.825 17950 2245 1 7 . 1 1 21 21 LEU CB C 21 41.401 41.401 41.750 -0.349 17950 2246 1 7 . 1 1 21 21 LEU H H 21 7.817 7.817 7.373 0.444 17950 2247 1 7 . 1 1 22 22 LYS N N 22 117.663 117.663 118.214 -0.551 17950 2248 1 7 . 1 1 22 22 LYS HA H 22 3.837 3.837 3.947 -0.110 17950 2249 1 7 . 1 1 22 22 LYS C C 22 177.740 177.740 178.285 -0.545 17950 2250 1 7 . 1 1 22 22 LYS CA C 22 59.206 59.206 58.614 0.592 17950 2251 1 7 . 1 1 22 22 LYS CB C 22 35.176 35.176 32.340 2.836 17950 2252 1 7 . 1 1 22 22 LYS H H 22 7.520 7.520 7.769 -0.249 17950 2253 1 7 . 1 1 23 23 HIS N N 23 113.904 113.904 113.052 0.852 17950 2254 1 7 . 1 1 23 23 HIS HA H 23 4.625 4.625 4.675 -0.050 17950 2255 1 7 . 1 1 23 23 HIS C C 23 176.122 176.122 175.462 0.660 17950 2256 1 7 . 1 1 23 23 HIS CA C 23 57.211 57.211 56.567 0.644 17950 2257 1 7 . 1 1 23 23 HIS CB C 23 33.414 33.414 33.194 0.220 17950 2258 1 7 . 1 1 23 23 HIS H H 23 8.311 8.311 7.718 0.593 17950 2259 1 7 . 1 1 24 24 GLY N N 24 110.098 110.098 107.623 2.475 17950 2260 1 7 . 1 1 24 24 GLY C C 24 173.041 173.041 172.443 0.598 17950 2261 1 7 . 1 1 24 24 GLY CA C 24 43.563 43.563 44.930 -1.367 17950 2262 1 7 . 1 1 24 24 GLY H H 24 8.158 8.158 7.415 0.743 17950 2263 1 7 . 1 1 25 25 THR N N 25 108.590 108.590 115.174 -6.584 17950 2264 1 7 . 1 1 25 25 THR HA H 25 3.123 3.123 3.577 -0.454 17950 2265 1 7 . 1 1 25 25 THR C C 25 174.866 174.866 175.997 -1.131 17950 2266 1 7 . 1 1 25 25 THR CA C 25 61.992 61.992 63.582 -1.590 17950 2267 1 7 . 1 1 25 25 THR CB C 25 69.110 69.110 69.231 -0.121 17950 2268 1 7 . 1 1 25 25 THR H H 25 7.826 7.826 8.144 -0.318 17950 2269 1 7 . 1 1 26 26 GLY N N 26 106.794 106.794 113.984 -7.190 17950 2270 1 7 . 1 1 26 26 GLY C C 26 173.988 173.988 174.148 -0.160 17950 2271 1 7 . 1 1 26 26 GLY CA C 26 45.639 45.639 44.405 1.234 17950 2272 1 7 . 1 1 26 26 GLY H H 26 5.553 5.553 8.261 -2.708 17950 2273 1 7 . 1 1 27 27 LYS N N 27 122.617 122.617 121.974 0.643 17950 2274 1 7 . 1 1 27 27 LYS HA H 27 4.499 4.499 4.293 0.206 17950 2275 1 7 . 1 1 27 27 LYS C C 27 176.586 176.586 176.258 0.328 17950 2276 1 7 . 1 1 27 27 LYS CA C 27 53.590 53.590 54.922 -1.332 17950 2277 1 7 . 1 1 27 27 LYS CB C 27 30.298 30.298 30.225 0.073 17950 2278 1 7 . 1 1 27 27 LYS H H 27 7.025 7.025 7.390 -0.365 17950 2279 1 7 . 1 1 28 28 TRP N N 28 119.816 119.816 121.994 -2.178 17950 2280 1 7 . 1 1 28 28 TRP HA H 28 4.130 4.130 4.256 -0.126 17950 2281 1 7 . 1 1 28 28 TRP C C 28 178.012 178.012 178.100 -0.088 17950 2282 1 7 . 1 1 28 28 TRP CA C 28 58.414 58.414 61.127 -2.713 17950 2283 1 7 . 1 1 28 28 TRP CB C 28 30.008 30.008 28.648 1.360 17950 2284 1 7 . 1 1 28 28 TRP H H 28 6.384 6.384 7.273 -0.889 17950 2285 1 7 . 1 1 29 29 ARG N N 29 115.616 115.616 119.283 -3.667 17950 2286 1 7 . 1 1 29 29 ARG HA H 29 3.963 3.963 4.078 -0.115 17950 2287 1 7 . 1 1 29 29 ARG C C 29 178.821 178.821 178.270 0.551 17950 2288 1 7 . 1 1 29 29 ARG CA C 29 59.381 59.381 60.213 -0.832 17950 2289 1 7 . 1 1 29 29 ARG CB C 29 29.366 29.366 29.827 -0.461 17950 2290 1 7 . 1 1 29 29 ARG H H 29 8.465 8.465 8.585 -0.120 17950 2291 1 7 . 1 1 30 30 THR N N 30 118.439 118.439 115.939 2.500 17950 2292 1 7 . 1 1 30 30 THR HA H 30 3.594 3.594 4.072 -0.478 17950 2293 1 7 . 1 1 30 30 THR C C 30 176.351 176.351 177.011 -0.660 17950 2294 1 7 . 1 1 30 30 THR CA C 30 66.347 66.347 66.709 -0.362 17950 2295 1 7 . 1 1 30 30 THR CB C 30 68.157 68.157 68.581 -0.424 17950 2296 1 7 . 1 1 30 30 THR H H 30 7.451 7.451 7.963 -0.512 17950 2297 1 7 . 1 1 31 31 ILE N N 31 121.530 121.530 121.718 -0.188 17950 2298 1 7 . 1 1 31 31 ILE HA H 31 3.403 3.403 3.937 -0.534 17950 2299 1 7 . 1 1 31 31 ILE C C 31 176.326 176.326 177.252 -0.926 17950 2300 1 7 . 1 1 31 31 ILE CA C 31 66.885 66.885 65.553 1.332 17950 2301 1 7 . 1 1 31 31 ILE CB C 31 38.320 38.320 37.938 0.382 17950 2302 1 7 . 1 1 31 31 ILE H H 31 7.551 7.551 8.444 -0.893 17950 2303 1 7 . 1 1 32 32 LEU N N 32 113.721 113.721 119.223 -5.502 17950 2304 1 7 . 1 1 32 32 LEU HA H 32 3.871 3.871 4.275 -0.404 17950 2305 1 7 . 1 1 32 32 LEU C C 32 177.633 177.633 177.988 -0.355 17950 2306 1 7 . 1 1 32 32 LEU CA C 32 56.846 56.846 56.328 0.518 17950 2307 1 7 . 1 1 32 32 LEU CB C 32 42.246 42.246 42.477 -0.231 17950 2308 1 7 . 1 1 32 32 LEU H H 32 7.317 7.317 8.297 -0.980 17950 2309 1 7 . 1 1 33 33 SER N N 33 110.515 110.515 112.470 -1.955 17950 2310 1 7 . 1 1 33 33 SER HA H 33 4.442 4.442 4.366 0.076 17950 2311 1 7 . 1 1 33 33 SER C C 33 173.479 173.479 174.232 -0.753 17950 2312 1 7 . 1 1 33 33 SER CA C 33 58.210 58.210 59.852 -1.641 17950 2313 1 7 . 1 1 33 33 SER CB C 33 64.194 64.194 63.806 0.389 17950 2314 1 7 . 1 1 33 33 SER H H 33 7.389 7.389 7.661 -0.272 17950 2315 1 7 . 1 1 34 34 ASP N N 34 125.920 125.920 122.062 3.858 17950 2316 1 7 . 1 1 34 34 ASP HA H 34 4.617 4.617 4.673 -0.056 17950 2317 1 7 . 1 1 34 34 ASP C C 34 178.020 178.020 177.568 0.452 17950 2318 1 7 . 1 1 34 34 ASP CA C 34 53.652 53.652 54.529 -0.877 17950 2319 1 7 . 1 1 34 34 ASP CB C 34 42.056 42.056 41.677 0.379 17950 2320 1 7 . 1 1 34 34 ASP H H 34 7.426 7.426 7.904 -0.478 17950 2321 1 7 . 1 1 35 35 THR N N 35 122.180 122.180 123.035 -0.855 17950 2322 1 7 . 1 1 35 35 THR HA H 35 4.223 4.223 4.006 0.217 17950 2323 1 7 . 1 1 35 35 THR C C 35 175.997 175.997 176.257 -0.260 17950 2324 1 7 . 1 1 35 35 THR CA C 35 64.686 64.686 66.172 -1.486 17950 2325 1 7 . 1 1 35 35 THR CB C 35 68.728 68.728 68.711 0.017 17950 2326 1 7 . 1 1 35 35 THR H H 35 8.689 8.689 8.674 0.015 17950 2327 1 7 . 1 1 36 36 GLU N N 36 122.403 122.403 121.956 0.447 17950 2328 1 7 . 1 1 36 36 GLU HA H 36 3.698 3.698 3.838 -0.140 17950 2329 1 7 . 1 1 36 36 GLU C C 36 177.497 177.497 176.366 1.131 17950 2330 1 7 . 1 1 36 36 GLU CA C 36 59.317 59.317 58.216 1.101 17950 2331 1 7 . 1 1 36 36 GLU CB C 36 29.107 29.107 29.003 0.104 17950 2332 1 7 . 1 1 36 36 GLU H H 36 8.818 8.818 7.911 0.907 17950 2333 1 7 . 1 1 37 37 PHE N N 37 114.348 114.348 113.139 1.209 17950 2334 1 7 . 1 1 37 37 PHE HA H 37 4.857 4.857 4.749 0.108 17950 2335 1 7 . 1 1 37 37 PHE C C 37 177.191 177.191 175.022 2.169 17950 2336 1 7 . 1 1 37 37 PHE CA C 37 56.463 56.463 56.405 0.058 17950 2337 1 7 . 1 1 37 37 PHE CB C 37 41.086 41.086 39.035 2.051 17950 2338 1 7 . 1 1 37 37 PHE H H 37 7.477 7.477 7.791 -0.314 17950 2339 1 7 . 1 1 38 38 SER N N 38 114.722 114.722 117.344 -2.622 17950 2340 1 7 . 1 1 38 38 SER HA H 38 3.822 3.822 4.571 -0.749 17950 2341 1 7 . 1 1 38 38 SER C C 38 176.516 176.516 175.949 0.567 17950 2342 1 7 . 1 1 38 38 SER CA C 38 61.996 61.996 60.315 1.681 17950 2343 1 7 . 1 1 38 38 SER CB C 38 62.761 62.761 63.594 -0.833 17950 2344 1 7 . 1 1 38 38 SER H H 38 8.546 8.546 7.663 0.883 17950 2345 1 7 . 1 1 39 39 LEU N N 39 121.277 121.277 120.995 0.282 17950 2346 1 7 . 1 1 39 39 LEU HA H 39 4.213 4.213 4.133 0.080 17950 2347 1 7 . 1 1 39 39 LEU C C 39 179.777 179.777 179.409 0.368 17950 2348 1 7 . 1 1 39 39 LEU CA C 39 57.171 57.171 58.004 -0.833 17950 2349 1 7 . 1 1 39 39 LEU CB C 39 41.340 41.340 41.917 -0.577 17950 2350 1 7 . 1 1 39 39 LEU H H 39 8.115 8.115 7.636 0.479 17950 2351 1 7 . 1 1 40 40 ILE N N 40 120.137 120.137 116.232 3.905 17950 2352 1 7 . 1 1 40 40 ILE HA H 40 3.701 3.701 3.956 -0.255 17950 2353 1 7 . 1 1 40 40 ILE C C 40 178.413 178.413 176.656 1.757 17950 2354 1 7 . 1 1 40 40 ILE CA C 40 63.624 63.624 62.952 0.672 17950 2355 1 7 . 1 1 40 40 ILE CB C 40 38.778 38.778 37.367 1.411 17950 2356 1 7 . 1 1 40 40 ILE H H 40 7.525 7.525 8.295 -0.770 17950 2357 1 7 . 1 1 41 41 LEU N N 41 117.023 117.023 115.111 1.912 17950 2358 1 7 . 1 1 41 41 LEU HA H 41 4.406 4.406 4.706 -0.300 17950 2359 1 7 . 1 1 41 41 LEU C C 41 176.196 176.196 175.982 0.214 17950 2360 1 7 . 1 1 41 41 LEU CA C 41 54.256 54.256 53.098 1.158 17950 2361 1 7 . 1 1 41 41 LEU CB C 41 41.891 41.891 41.303 0.588 17950 2362 1 7 . 1 1 41 41 LEU H H 41 7.608 7.608 7.207 0.401 17950 2363 1 7 . 1 1 42 42 LYS N N 42 116.369 116.369 118.260 -1.891 17950 2364 1 7 . 1 1 42 42 LYS HA H 42 4.050 4.050 4.241 -0.191 17950 2365 1 7 . 1 1 42 42 LYS C C 42 177.139 177.139 177.286 -0.147 17950 2366 1 7 . 1 1 42 42 LYS CA C 42 59.111 59.111 57.995 1.116 17950 2367 1 7 . 1 1 42 42 LYS CB C 42 32.553 32.553 32.461 0.092 17950 2368 1 7 . 1 1 42 42 LYS H H 42 6.645 6.645 7.300 -0.655 17950 2369 1 7 . 1 1 43 43 SER N N 43 115.061 115.061 114.171 0.890 17950 2370 1 7 . 1 1 43 43 SER HA H 43 4.407 4.407 4.272 0.135 17950 2371 1 7 . 1 1 43 43 SER C C 43 173.754 173.754 174.508 -0.754 17950 2372 1 7 . 1 1 43 43 SER CA C 43 58.850 58.850 60.228 -1.378 17950 2373 1 7 . 1 1 43 43 SER CB C 43 63.117 63.117 63.492 -0.374 17950 2374 1 7 . 1 1 43 43 SER H H 43 8.443 8.443 8.545 -0.102 17950 2375 1 7 . 1 1 44 44 ARG N N 44 119.658 119.658 120.074 -0.416 17950 2376 1 7 . 1 1 44 44 ARG HA H 44 4.674 4.674 4.641 0.033 17950 2377 1 7 . 1 1 44 44 ARG C C 44 174.410 174.410 174.714 -0.304 17950 2378 1 7 . 1 1 44 44 ARG CA C 44 52.244 52.244 54.246 -2.002 17950 2379 1 7 . 1 1 44 44 ARG CB C 44 31.309 31.309 32.040 -0.731 17950 2380 1 7 . 1 1 44 44 ARG H H 44 8.036 8.036 7.881 0.155 17950 2381 1 7 . 1 1 45 45 SER N N 45 116.676 116.676 113.644 3.032 17950 2382 1 7 . 1 1 45 45 SER HA H 45 4.764 4.764 4.755 0.009 17950 2383 1 7 . 1 1 45 45 SER C C 45 175.294 175.294 175.090 0.204 17950 2384 1 7 . 1 1 45 45 SER CA C 45 55.857 55.857 56.590 -0.733 17950 2385 1 7 . 1 1 45 45 SER CB C 45 66.828 66.828 65.842 0.986 17950 2386 1 7 . 1 1 45 45 SER H H 45 9.180 9.180 8.216 0.964 17950 2387 1 7 . 1 1 46 46 ASN N N 46 118.004 118.004 119.745 -1.741 17950 2388 1 7 . 1 1 46 46 ASN HA H 46 3.954 3.954 4.445 -0.491 17950 2389 1 7 . 1 1 46 46 ASN C C 46 176.356 176.356 177.195 -0.839 17950 2390 1 7 . 1 1 46 46 ASN CA C 46 57.734 57.734 56.118 1.616 17950 2391 1 7 . 1 1 46 46 ASN CB C 46 36.901 36.901 37.894 -0.993 17950 2392 1 7 . 1 1 46 46 ASN H H 46 9.005 9.005 8.787 0.218 17950 2393 1 7 . 1 1 47 47 VAL N N 47 119.294 119.294 118.694 0.600 17950 2394 1 7 . 1 1 47 47 VAL HA H 47 3.422 3.422 3.658 -0.236 17950 2395 1 7 . 1 1 47 47 VAL C C 47 176.899 176.899 177.287 -0.388 17950 2396 1 7 . 1 1 47 47 VAL CA C 47 65.439 65.439 65.449 -0.010 17950 2397 1 7 . 1 1 47 47 VAL CB C 47 31.863 31.863 31.773 0.090 17950 2398 1 7 . 1 1 47 47 VAL H H 47 7.329 7.329 7.899 -0.570 17950 2399 1 7 . 1 1 48 48 ASP N N 48 120.297 120.297 120.006 0.291 17950 2400 1 7 . 1 1 48 48 ASP HA H 48 4.358 4.358 4.479 -0.121 17950 2401 1 7 . 1 1 48 48 ASP C C 48 179.879 179.879 178.447 1.432 17950 2402 1 7 . 1 1 48 48 ASP CA C 48 57.162 57.162 57.269 -0.107 17950 2403 1 7 . 1 1 48 48 ASP CB C 48 41.040 41.040 40.930 0.110 17950 2404 1 7 . 1 1 48 48 ASP H H 48 7.597 7.597 7.773 -0.176 17950 2405 1 7 . 1 1 49 49 LEU N N 49 119.624 119.624 119.997 -0.373 17950 2406 1 7 . 1 1 49 49 LEU HA H 49 3.824 3.824 3.981 -0.157 17950 2407 1 7 . 1 1 49 49 LEU C C 49 176.207 176.207 178.553 -2.346 17950 2408 1 7 . 1 1 49 49 LEU CA C 49 59.202 59.202 58.352 0.850 17950 2409 1 7 . 1 1 49 49 LEU CB C 49 41.113 41.113 41.591 -0.478 17950 2410 1 7 . 1 1 49 49 LEU H H 49 7.835 7.835 7.743 0.092 17950 2411 1 7 . 1 1 50 50 LYS N N 50 119.306 119.306 117.212 2.094 17950 2412 1 7 . 1 1 50 50 LYS HA H 50 2.427 2.427 2.938 -0.511 17950 2413 1 7 . 1 1 50 50 LYS C C 50 178.745 178.745 178.352 0.393 17950 2414 1 7 . 1 1 50 50 LYS CA C 50 59.310 59.310 58.352 0.958 17950 2415 1 7 . 1 1 50 50 LYS CB C 50 31.906 31.906 30.747 1.159 17950 2416 1 7 . 1 1 50 50 LYS H H 50 6.788 6.788 7.355 -0.567 17950 2417 1 7 . 1 1 51 51 ASP N N 51 118.721 118.721 120.644 -1.923 17950 2418 1 7 . 1 1 51 51 ASP HA H 51 4.167 4.167 4.300 -0.133 17950 2419 1 7 . 1 1 51 51 ASP C C 51 178.461 178.461 178.424 0.037 17950 2420 1 7 . 1 1 51 51 ASP CA C 51 56.852 56.852 57.235 -0.383 17950 2421 1 7 . 1 1 51 51 ASP CB C 51 40.475 40.475 40.781 -0.306 17950 2422 1 7 . 1 1 51 51 ASP H H 51 8.203 8.203 7.577 0.626 17950 2423 1 7 . 1 1 52 52 LYS N N 52 121.009 121.009 119.186 1.823 17950 2424 1 7 . 1 1 52 52 LYS HA H 52 3.776 3.776 4.035 -0.259 17950 2425 1 7 . 1 1 52 52 LYS C C 52 178.328 178.328 178.721 -0.393 17950 2426 1 7 . 1 1 52 52 LYS CA C 52 56.841 56.841 59.133 -2.292 17950 2427 1 7 . 1 1 52 52 LYS CB C 52 31.473 31.473 32.186 -0.713 17950 2428 1 7 . 1 1 52 52 LYS H H 52 7.842 7.842 8.187 -0.345 17950 2429 1 7 . 1 1 53 53 TRP N N 53 119.577 119.577 120.647 -1.070 17950 2430 1 7 . 1 1 53 53 TRP HA H 53 4.121 4.121 4.298 -0.177 17950 2431 1 7 . 1 1 53 53 TRP C C 53 178.056 178.056 177.847 0.209 17950 2432 1 7 . 1 1 53 53 TRP CA C 53 59.505 59.505 59.626 -0.121 17950 2433 1 7 . 1 1 53 53 TRP CB C 53 30.004 30.004 29.728 0.276 17950 2434 1 7 . 1 1 53 53 TRP H H 53 8.469 8.469 7.830 0.639 17950 2435 1 7 . 1 1 54 54 ARG N N 54 117.607 117.607 119.571 -1.964 17950 2436 1 7 . 1 1 54 54 ARG HA H 54 3.721 3.721 3.729 -0.008 17950 2437 1 7 . 1 1 54 54 ARG C C 54 177.399 177.399 178.141 -0.742 17950 2438 1 7 . 1 1 54 54 ARG CA C 54 59.030 59.030 59.055 -0.025 17950 2439 1 7 . 1 1 54 54 ARG CB C 54 29.401 29.401 29.906 -0.505 17950 2440 1 7 . 1 1 54 54 ARG H H 54 7.527 7.527 7.895 -0.368 17950 2441 1 7 . 1 1 55 55 ASN N N 55 115.552 115.552 118.205 -2.653 17950 2442 1 7 . 1 1 55 55 ASN HA H 55 4.387 4.387 4.458 -0.071 17950 2443 1 7 . 1 1 55 55 ASN C C 55 176.869 176.869 177.493 -0.624 17950 2444 1 7 . 1 1 55 55 ASN CA C 55 55.320 55.320 56.135 -0.815 17950 2445 1 7 . 1 1 55 55 ASN CB C 55 39.679 39.679 38.728 0.951 17950 2446 1 7 . 1 1 55 55 ASN H H 55 7.242 7.242 7.733 -0.491 17950 2447 1 7 . 1 1 56 56 ILE N N 56 117.285 117.285 117.684 -0.399 17950 2448 1 7 . 1 1 56 56 ILE HA H 56 3.768 3.768 3.946 -0.178 17950 2449 1 7 . 1 1 56 56 ILE C C 56 176.781 176.781 175.896 0.885 17950 2450 1 7 . 1 1 56 56 ILE CA C 56 62.932 62.932 63.139 -0.207 17950 2451 1 7 . 1 1 56 56 ILE CB C 56 38.341 38.341 38.343 -0.002 17950 2452 1 7 . 1 1 56 56 ILE H H 56 7.760 7.760 7.649 0.111 17950 2453 1 7 . 1 1 57 57 SER N N 57 116.184 116.184 113.959 2.225 17950 2454 1 7 . 1 1 57 57 SER HA H 57 3.676 3.676 4.073 -0.397 17950 2455 1 7 . 1 1 57 57 SER C C 57 174.964 174.964 176.286 -1.322 17950 2456 1 7 . 1 1 57 57 SER CA C 57 59.435 59.435 59.830 -0.395 17950 2457 1 7 . 1 1 57 57 SER CB C 57 63.062 63.062 63.405 -0.343 17950 2458 1 7 . 1 1 57 57 SER H H 57 7.635 7.635 7.243 0.392 17950 2459 1 7 . 1 1 58 58 VAL N N 58 119.671 119.671 120.028 -0.357 17950 2460 1 7 . 1 1 58 58 VAL HA H 58 3.959 3.959 3.735 0.224 17950 2461 1 7 . 1 1 58 58 VAL C C 58 176.787 176.787 175.787 1.000 17950 2462 1 7 . 1 1 58 58 VAL CA C 58 63.249 63.249 64.820 -1.571 17950 2463 1 7 . 1 1 58 58 VAL CB C 58 31.964 31.964 32.290 -0.326 17950 2464 1 7 . 1 1 58 58 VAL H H 58 7.454 7.454 7.546 -0.092 17950 2465 1 7 . 1 1 59 59 THR N N 59 114.912 114.912 113.582 1.330 17950 2466 1 7 . 1 1 59 59 THR HA H 59 3.924 3.924 4.502 -0.578 17950 2467 1 7 . 1 1 59 59 THR C C 59 174.839 174.839 173.496 1.343 17950 2468 1 7 . 1 1 59 59 THR CA C 59 62.616 62.616 60.410 2.206 17950 2469 1 7 . 1 1 59 59 THR CB C 59 69.358 69.358 68.629 0.729 17950 2470 1 7 . 1 1 59 59 THR H H 59 7.681 7.681 7.720 -0.039 17950 2471 1 7 . 1 1 60 60 ALA N N 60 124.969 124.969 128.041 -3.072 17950 2472 1 7 . 1 1 60 60 ALA HA H 60 4.094 4.094 4.655 -0.561 17950 2473 1 7 . 1 1 60 60 ALA C C 60 177.636 177.636 177.703 -0.067 17950 2474 1 7 . 1 1 60 60 ALA CA C 60 52.909 52.909 52.913 -0.004 17950 2475 1 7 . 1 1 60 60 ALA CB C 60 18.757 18.757 20.359 -1.602 17950 2476 1 7 . 1 1 60 60 ALA H H 60 7.939 7.939 8.098 -0.159 17950 2477 1 7 . 1 1 61 61 LEU N N 61 119.572 119.572 114.558 5.014 17950 2478 1 7 . 1 1 61 61 LEU HA H 61 4.150 4.150 4.748 -0.598 17950 2479 1 7 . 1 1 61 61 LEU C C 61 177.260 177.260 176.672 0.588 17950 2480 1 7 . 1 1 61 61 LEU CA C 61 55.183 55.183 53.285 1.897 17950 2481 1 7 . 1 1 61 61 LEU CB C 61 41.901 41.901 41.651 0.250 17950 2482 1 7 . 1 1 61 61 LEU H H 61 7.812 7.812 7.953 -0.141 17950 2483 1 7 . 1 1 62 62 TRP N N 62 120.635 120.635 121.347 -0.712 17950 2484 1 7 . 1 1 62 62 TRP HA H 62 4.617 4.617 4.439 0.178 17950 2485 1 7 . 1 1 62 62 TRP C C 62 176.752 176.752 176.409 0.343 17950 2486 1 7 . 1 1 62 62 TRP CA C 62 57.262 57.262 57.736 -0.474 17950 2487 1 7 . 1 1 62 62 TRP CB C 62 29.579 29.579 29.401 0.178 17950 2488 1 7 . 1 1 62 62 TRP H H 62 7.851 7.851 7.718 0.133 17950 2489 1 7 . 1 1 63 63 GLY N N 63 110.695 110.695 111.540 -0.845 17950 2490 1 7 . 1 1 63 63 GLY C C 63 173.238 173.238 174.120 -0.882 17950 2491 1 7 . 1 1 63 63 GLY CA C 63 45.357 45.357 44.818 0.539 17950 2492 1 7 . 1 1 63 63 GLY H H 63 8.132 8.132 8.570 -0.438 17950 2493 1 8 . 1 1 2 2 GLY N N 2 110.542 110.542 111.728 -1.186 17950 2494 1 8 . 1 1 2 2 GLY C C 2 173.237 173.237 172.387 0.850 17950 2495 1 8 . 1 1 2 2 GLY CA C 2 44.918 44.918 45.461 -0.542 17950 2496 1 8 . 1 1 2 2 GLY H H 2 8.335 8.335 8.395 -0.060 17950 2497 1 8 . 1 1 3 3 ALA N N 3 124.917 124.917 121.780 3.137 17950 2498 1 8 . 1 1 3 3 ALA HA H 3 4.513 4.513 4.650 -0.137 17950 2499 1 8 . 1 1 3 3 ALA CA C 3 50.370 50.370 51.456 -1.086 17950 2500 1 8 . 1 1 3 3 ALA CB C 3 18.052 18.052 19.972 -1.920 17950 2501 1 8 . 1 1 3 3 ALA H H 3 8.069 8.069 8.184 -0.115 17950 2502 1 8 . 1 1 4 4 PRO HA H 4 4.341 4.341 4.396 -0.055 17950 2503 1 8 . 1 1 4 4 PRO C C 4 177.068 177.068 176.811 0.257 17950 2504 1 8 . 1 1 4 4 PRO CA C 4 63.007 63.007 64.966 -1.959 17950 2505 1 8 . 1 1 4 4 PRO CB C 4 32.015 32.015 32.332 -0.317 17950 2506 1 8 . 1 1 5 5 LYS N N 5 121.494 121.494 116.081 5.413 17950 2507 1 8 . 1 1 5 5 LYS HA H 5 4.180 4.180 4.313 -0.133 17950 2508 1 8 . 1 1 5 5 LYS C C 5 176.697 176.697 177.641 -0.944 17950 2509 1 8 . 1 1 5 5 LYS CA C 5 56.140 56.140 56.544 -0.404 17950 2510 1 8 . 1 1 5 5 LYS CB C 5 32.871 32.871 32.362 0.509 17950 2511 1 8 . 1 1 5 5 LYS H H 5 8.376 8.376 7.592 0.784 17950 2512 1 8 . 1 1 6 6 GLN N N 6 121.572 121.572 119.260 2.312 17950 2513 1 8 . 1 1 6 6 GLN HA H 6 4.230 4.230 3.937 0.293 17950 2514 1 8 . 1 1 6 6 GLN C C 6 176.847 176.847 175.614 1.233 17950 2515 1 8 . 1 1 6 6 GLN CA C 6 55.634 55.634 57.448 -1.814 17950 2516 1 8 . 1 1 6 6 GLN CB C 6 29.290 29.290 28.915 0.376 17950 2517 1 8 . 1 1 6 6 GLN H H 6 8.438 8.438 7.985 0.453 17950 2518 1 8 . 1 1 7 7 LYS N N 7 125.757 125.757 117.412 8.345 17950 2519 1 8 . 1 1 7 7 LYS HA H 7 4.259 4.259 4.146 0.113 17950 2520 1 8 . 1 1 7 7 LYS C C 7 176.770 176.770 175.868 0.902 17950 2521 1 8 . 1 1 7 7 LYS CA C 7 56.899 56.899 54.864 2.035 17950 2522 1 8 . 1 1 7 7 LYS CB C 7 32.782 32.782 33.378 -0.596 17950 2523 1 8 . 1 1 7 7 LYS H H 7 8.500 8.500 7.429 1.071 17950 2524 1 8 . 1 1 8 8 TRP N N 8 125.581 125.581 123.054 2.527 17950 2525 1 8 . 1 1 8 8 TRP HA H 8 4.504 4.504 4.553 -0.049 17950 2526 1 8 . 1 1 8 8 TRP C C 8 177.459 177.459 176.816 0.643 17950 2527 1 8 . 1 1 8 8 TRP CA C 8 57.777 57.777 57.379 0.398 17950 2528 1 8 . 1 1 8 8 TRP CB C 8 28.836 28.836 29.970 -1.134 17950 2529 1 8 . 1 1 8 8 TRP H H 8 8.959 8.959 8.151 0.808 17950 2530 1 8 . 1 1 9 9 THR N N 9 115.986 115.986 110.681 5.305 17950 2531 1 8 . 1 1 9 9 THR HA H 9 4.759 4.759 4.859 -0.100 17950 2532 1 8 . 1 1 9 9 THR CA C 9 59.565 59.565 59.431 0.133 17950 2533 1 8 . 1 1 9 9 THR CB C 9 68.786 68.786 69.767 -0.981 17950 2534 1 8 . 1 1 9 9 THR H H 9 9.105 9.105 8.395 0.710 17950 2535 1 8 . 1 1 10 10 PRO HA H 10 4.369 4.369 4.383 -0.014 17950 2536 1 8 . 1 1 10 10 PRO C C 10 180.115 180.115 178.892 1.223 17950 2537 1 8 . 1 1 10 10 PRO CA C 10 65.387 65.387 65.249 0.138 17950 2538 1 8 . 1 1 10 10 PRO CB C 10 31.739 31.739 32.097 -0.358 17950 2539 1 8 . 1 1 11 11 GLU N N 11 118.329 118.329 118.468 -0.139 17950 2540 1 8 . 1 1 11 11 GLU HA H 11 4.065 4.065 4.067 -0.002 17950 2541 1 8 . 1 1 11 11 GLU C C 11 180.122 180.122 178.896 1.226 17950 2542 1 8 . 1 1 11 11 GLU CA C 11 60.640 60.640 59.967 0.673 17950 2543 1 8 . 1 1 11 11 GLU CB C 11 28.680 28.680 29.238 -0.558 17950 2544 1 8 . 1 1 11 11 GLU H H 11 9.009 9.009 9.095 -0.086 17950 2545 1 8 . 1 1 12 12 GLU N N 12 121.178 121.178 118.497 2.681 17950 2546 1 8 . 1 1 12 12 GLU HA H 12 3.857 3.857 4.053 -0.196 17950 2547 1 8 . 1 1 12 12 GLU C C 12 179.021 179.021 178.846 0.175 17950 2548 1 8 . 1 1 12 12 GLU CA C 12 59.900 59.900 59.714 0.186 17950 2549 1 8 . 1 1 12 12 GLU CB C 12 32.276 32.276 29.337 2.939 17950 2550 1 8 . 1 1 12 12 GLU H H 12 7.952 7.952 7.692 0.260 17950 2551 1 8 . 1 1 13 13 GLU N N 13 118.771 118.771 120.050 -1.279 17950 2552 1 8 . 1 1 13 13 GLU HA H 13 3.928 3.928 3.934 -0.006 17950 2553 1 8 . 1 1 13 13 GLU C C 13 178.499 178.499 178.637 -0.138 17950 2554 1 8 . 1 1 13 13 GLU CA C 13 61.052 61.052 59.256 1.796 17950 2555 1 8 . 1 1 13 13 GLU CB C 13 29.552 29.552 29.277 0.275 17950 2556 1 8 . 1 1 13 13 GLU H H 13 8.446 8.446 7.735 0.711 17950 2557 1 8 . 1 1 14 14 ALA N N 14 120.274 120.274 121.077 -0.803 17950 2558 1 8 . 1 1 14 14 ALA HA H 14 4.095 4.095 4.046 0.049 17950 2559 1 8 . 1 1 14 14 ALA C C 14 180.719 180.719 179.548 1.171 17950 2560 1 8 . 1 1 14 14 ALA CA C 14 55.053 55.053 55.072 -0.019 17950 2561 1 8 . 1 1 14 14 ALA CB C 14 18.019 18.019 18.238 -0.218 17950 2562 1 8 . 1 1 14 14 ALA H H 14 8.434 8.434 7.918 0.516 17950 2563 1 8 . 1 1 15 15 ALA N N 15 122.356 122.356 120.912 1.444 17950 2564 1 8 . 1 1 15 15 ALA HA H 15 4.381 4.381 4.023 0.358 17950 2565 1 8 . 1 1 15 15 ALA C C 15 178.553 178.553 179.176 -0.623 17950 2566 1 8 . 1 1 15 15 ALA CA C 15 54.786 54.786 54.681 0.105 17950 2567 1 8 . 1 1 15 15 ALA CB C 15 18.779 18.779 18.505 0.274 17950 2568 1 8 . 1 1 15 15 ALA H H 15 7.900 7.900 7.819 0.081 17950 2569 1 8 . 1 1 16 16 LEU N N 16 118.626 118.626 119.834 -1.208 17950 2570 1 8 . 1 1 16 16 LEU HA H 16 3.921 3.921 3.723 0.198 17950 2571 1 8 . 1 1 16 16 LEU C C 16 177.536 177.536 178.376 -0.840 17950 2572 1 8 . 1 1 16 16 LEU CA C 16 58.384 58.384 57.989 0.395 17950 2573 1 8 . 1 1 16 16 LEU CB C 16 42.189 42.189 41.600 0.589 17950 2574 1 8 . 1 1 16 16 LEU H H 16 8.182 8.182 8.038 0.144 17950 2575 1 8 . 1 1 17 17 LYS N N 17 117.009 117.009 118.524 -1.515 17950 2576 1 8 . 1 1 17 17 LYS HA H 17 3.906 3.906 3.728 0.178 17950 2577 1 8 . 1 1 17 17 LYS C C 17 178.796 178.796 178.728 0.068 17950 2578 1 8 . 1 1 17 17 LYS CA C 17 60.496 60.496 59.494 1.002 17950 2579 1 8 . 1 1 17 17 LYS CB C 17 32.720 32.720 31.785 0.935 17950 2580 1 8 . 1 1 17 17 LYS H H 17 8.029 8.029 7.593 0.436 17950 2581 1 8 . 1 1 18 18 ALA N N 18 121.422 121.422 120.796 0.626 17950 2582 1 8 . 1 1 18 18 ALA HA H 18 4.021 4.021 4.077 -0.056 17950 2583 1 8 . 1 1 18 18 ALA C C 18 180.627 180.627 179.707 0.920 17950 2584 1 8 . 1 1 18 18 ALA CA C 18 54.752 54.752 55.050 -0.298 17950 2585 1 8 . 1 1 18 18 ALA CB C 18 18.405 18.405 18.051 0.354 17950 2586 1 8 . 1 1 18 18 ALA H H 18 8.174 8.174 7.597 0.577 17950 2587 1 8 . 1 1 19 19 GLY N N 19 110.862 110.862 106.379 4.483 17950 2588 1 8 . 1 1 19 19 GLY C C 19 174.803 174.803 176.223 -1.420 17950 2589 1 8 . 1 1 19 19 GLY CA C 19 47.190 47.190 46.839 0.351 17950 2590 1 8 . 1 1 19 19 GLY H H 19 8.503 8.503 7.336 1.167 17950 2591 1 8 . 1 1 20 20 VAL N N 20 123.677 123.677 122.771 0.906 17950 2592 1 8 . 1 1 20 20 VAL HA H 20 3.166 3.166 3.783 -0.617 17950 2593 1 8 . 1 1 20 20 VAL C C 20 179.632 179.632 177.548 2.084 17950 2594 1 8 . 1 1 20 20 VAL CA C 20 65.603 65.603 65.983 -0.380 17950 2595 1 8 . 1 1 20 20 VAL CB C 20 30.946 30.946 32.028 -1.082 17950 2596 1 8 . 1 1 20 20 VAL H H 20 8.106 8.106 7.539 0.567 17950 2597 1 8 . 1 1 21 21 LEU N N 21 122.348 122.348 118.949 3.399 17950 2598 1 8 . 1 1 21 21 LEU HA H 21 3.894 3.894 4.033 -0.139 17950 2599 1 8 . 1 1 21 21 LEU C C 21 178.085 178.085 178.652 -0.567 17950 2600 1 8 . 1 1 21 21 LEU CA C 21 58.028 58.028 57.551 0.477 17950 2601 1 8 . 1 1 21 21 LEU CB C 21 41.401 41.401 41.984 -0.584 17950 2602 1 8 . 1 1 21 21 LEU H H 21 7.817 7.817 7.908 -0.091 17950 2603 1 8 . 1 1 22 22 LYS N N 22 117.663 117.663 118.268 -0.605 17950 2604 1 8 . 1 1 22 22 LYS HA H 22 3.837 3.837 4.062 -0.225 17950 2605 1 8 . 1 1 22 22 LYS C C 22 177.740 177.740 178.355 -0.615 17950 2606 1 8 . 1 1 22 22 LYS CA C 22 59.206 59.206 58.861 0.345 17950 2607 1 8 . 1 1 22 22 LYS CB C 22 35.176 35.176 32.405 2.771 17950 2608 1 8 . 1 1 22 22 LYS H H 22 7.520 7.520 7.991 -0.471 17950 2609 1 8 . 1 1 23 23 HIS N N 23 113.904 113.904 113.668 0.236 17950 2610 1 8 . 1 1 23 23 HIS HA H 23 4.625 4.625 4.706 -0.081 17950 2611 1 8 . 1 1 23 23 HIS C C 23 176.122 176.122 175.070 1.052 17950 2612 1 8 . 1 1 23 23 HIS CA C 23 57.211 57.211 55.732 1.479 17950 2613 1 8 . 1 1 23 23 HIS CB C 23 33.414 33.414 32.898 0.516 17950 2614 1 8 . 1 1 23 23 HIS H H 23 8.311 8.311 7.724 0.587 17950 2615 1 8 . 1 1 24 24 GLY N N 24 110.098 110.098 107.874 2.224 17950 2616 1 8 . 1 1 24 24 GLY C C 24 173.041 173.041 172.699 0.342 17950 2617 1 8 . 1 1 24 24 GLY CA C 24 43.563 43.563 44.482 -0.919 17950 2618 1 8 . 1 1 24 24 GLY H H 24 8.158 8.158 7.644 0.514 17950 2619 1 8 . 1 1 25 25 THR N N 25 108.590 108.590 116.184 -7.594 17950 2620 1 8 . 1 1 25 25 THR HA H 25 3.123 3.123 4.403 -1.280 17950 2621 1 8 . 1 1 25 25 THR C C 25 174.866 174.866 176.138 -1.272 17950 2622 1 8 . 1 1 25 25 THR CA C 25 61.992 61.992 64.144 -2.151 17950 2623 1 8 . 1 1 25 25 THR CB C 25 69.110 69.110 69.197 -0.087 17950 2624 1 8 . 1 1 25 25 THR H H 25 7.826 7.826 8.344 -0.518 17950 2625 1 8 . 1 1 26 26 GLY N N 26 106.794 106.794 115.737 -8.943 17950 2626 1 8 . 1 1 26 26 GLY C C 26 173.988 173.988 174.705 -0.717 17950 2627 1 8 . 1 1 26 26 GLY CA C 26 45.639 45.639 45.188 0.451 17950 2628 1 8 . 1 1 26 26 GLY H H 26 5.553 5.553 8.916 -3.363 17950 2629 1 8 . 1 1 27 27 LYS N N 27 122.617 122.617 123.887 -1.270 17950 2630 1 8 . 1 1 27 27 LYS HA H 27 4.499 4.499 4.255 0.244 17950 2631 1 8 . 1 1 27 27 LYS C C 27 176.586 176.586 176.447 0.139 17950 2632 1 8 . 1 1 27 27 LYS CA C 27 53.590 53.590 53.680 -0.090 17950 2633 1 8 . 1 1 27 27 LYS CB C 27 30.298 30.298 30.311 -0.013 17950 2634 1 8 . 1 1 27 27 LYS H H 27 7.025 7.025 7.702 -0.677 17950 2635 1 8 . 1 1 28 28 TRP N N 28 119.816 119.816 120.756 -0.940 17950 2636 1 8 . 1 1 28 28 TRP HA H 28 4.130 4.130 3.859 0.271 17950 2637 1 8 . 1 1 28 28 TRP C C 28 178.012 178.012 177.316 0.696 17950 2638 1 8 . 1 1 28 28 TRP CA C 28 58.414 58.414 59.792 -1.378 17950 2639 1 8 . 1 1 28 28 TRP CB C 28 30.008 30.008 28.158 1.850 17950 2640 1 8 . 1 1 28 28 TRP H H 28 6.384 6.384 7.502 -1.118 17950 2641 1 8 . 1 1 29 29 ARG N N 29 115.616 115.616 120.020 -4.404 17950 2642 1 8 . 1 1 29 29 ARG HA H 29 3.963 3.963 4.149 -0.186 17950 2643 1 8 . 1 1 29 29 ARG C C 29 178.821 178.821 177.908 0.913 17950 2644 1 8 . 1 1 29 29 ARG CA C 29 59.381 59.381 59.256 0.125 17950 2645 1 8 . 1 1 29 29 ARG CB C 29 29.366 29.366 28.953 0.413 17950 2646 1 8 . 1 1 29 29 ARG H H 29 8.465 8.465 7.361 1.104 17950 2647 1 8 . 1 1 30 30 THR N N 30 118.439 118.439 116.420 2.019 17950 2648 1 8 . 1 1 30 30 THR HA H 30 3.594 3.594 3.948 -0.354 17950 2649 1 8 . 1 1 30 30 THR C C 30 176.351 176.351 176.954 -0.603 17950 2650 1 8 . 1 1 30 30 THR CA C 30 66.347 66.347 66.208 0.139 17950 2651 1 8 . 1 1 30 30 THR CB C 30 68.157 68.157 68.159 -0.002 17950 2652 1 8 . 1 1 30 30 THR H H 30 7.451 7.451 7.675 -0.224 17950 2653 1 8 . 1 1 31 31 ILE N N 31 121.530 121.530 120.642 0.888 17950 2654 1 8 . 1 1 31 31 ILE HA H 31 3.403 3.403 3.739 -0.336 17950 2655 1 8 . 1 1 31 31 ILE C C 31 176.326 176.326 178.308 -1.982 17950 2656 1 8 . 1 1 31 31 ILE CA C 31 66.885 66.885 65.350 1.535 17950 2657 1 8 . 1 1 31 31 ILE CB C 31 38.320 38.320 37.461 0.859 17950 2658 1 8 . 1 1 31 31 ILE H H 31 7.551 7.551 8.377 -0.826 17950 2659 1 8 . 1 1 32 32 LEU N N 32 113.721 113.721 120.072 -6.351 17950 2660 1 8 . 1 1 32 32 LEU HA H 32 3.871 3.871 4.195 -0.324 17950 2661 1 8 . 1 1 32 32 LEU C C 32 177.633 177.633 178.095 -0.462 17950 2662 1 8 . 1 1 32 32 LEU CA C 32 56.846 56.846 56.506 0.340 17950 2663 1 8 . 1 1 32 32 LEU CB C 32 42.246 42.246 41.867 0.378 17950 2664 1 8 . 1 1 32 32 LEU H H 32 7.317 7.317 7.602 -0.285 17950 2665 1 8 . 1 1 33 33 SER N N 33 110.515 110.515 111.007 -0.492 17950 2666 1 8 . 1 1 33 33 SER HA H 33 4.442 4.442 4.342 0.100 17950 2667 1 8 . 1 1 33 33 SER C C 33 173.479 173.479 173.627 -0.148 17950 2668 1 8 . 1 1 33 33 SER CA C 33 58.210 58.210 59.203 -0.993 17950 2669 1 8 . 1 1 33 33 SER CB C 33 64.194 64.194 63.672 0.522 17950 2670 1 8 . 1 1 33 33 SER H H 33 7.389 7.389 7.745 -0.356 17950 2671 1 8 . 1 1 34 34 ASP N N 34 125.920 125.920 121.246 4.674 17950 2672 1 8 . 1 1 34 34 ASP HA H 34 4.617 4.617 4.701 -0.084 17950 2673 1 8 . 1 1 34 34 ASP C C 34 178.020 178.020 177.286 0.734 17950 2674 1 8 . 1 1 34 34 ASP CA C 34 53.652 53.652 53.419 0.233 17950 2675 1 8 . 1 1 34 34 ASP CB C 34 42.056 42.056 41.756 0.300 17950 2676 1 8 . 1 1 34 34 ASP H H 34 7.426 7.426 7.417 0.009 17950 2677 1 8 . 1 1 35 35 THR N N 35 122.180 122.180 122.420 -0.240 17950 2678 1 8 . 1 1 35 35 THR HA H 35 4.223 4.223 4.012 0.211 17950 2679 1 8 . 1 1 35 35 THR C C 35 175.997 175.997 176.178 -0.181 17950 2680 1 8 . 1 1 35 35 THR CA C 35 64.686 64.686 65.510 -0.824 17950 2681 1 8 . 1 1 35 35 THR CB C 35 68.728 68.728 68.545 0.183 17950 2682 1 8 . 1 1 35 35 THR H H 35 8.689 8.689 8.735 -0.046 17950 2683 1 8 . 1 1 36 36 GLU N N 36 122.403 122.403 121.766 0.637 17950 2684 1 8 . 1 1 36 36 GLU HA H 36 3.698 3.698 3.880 -0.182 17950 2685 1 8 . 1 1 36 36 GLU C C 36 177.497 177.497 176.497 1.000 17950 2686 1 8 . 1 1 36 36 GLU CA C 36 59.317 59.317 58.365 0.952 17950 2687 1 8 . 1 1 36 36 GLU CB C 36 29.107 29.107 29.077 0.030 17950 2688 1 8 . 1 1 36 36 GLU H H 36 8.818 8.818 7.787 1.031 17950 2689 1 8 . 1 1 37 37 PHE N N 37 114.348 114.348 114.595 -0.247 17950 2690 1 8 . 1 1 37 37 PHE HA H 37 4.857 4.857 4.871 -0.014 17950 2691 1 8 . 1 1 37 37 PHE C C 37 177.191 177.191 175.190 2.001 17950 2692 1 8 . 1 1 37 37 PHE CA C 37 56.463 56.463 56.259 0.204 17950 2693 1 8 . 1 1 37 37 PHE CB C 37 41.086 41.086 39.518 1.568 17950 2694 1 8 . 1 1 37 37 PHE H H 37 7.477 7.477 7.570 -0.093 17950 2695 1 8 . 1 1 38 38 SER N N 38 114.722 114.722 116.467 -1.745 17950 2696 1 8 . 1 1 38 38 SER HA H 38 3.822 3.822 4.607 -0.785 17950 2697 1 8 . 1 1 38 38 SER C C 38 176.516 176.516 175.621 0.895 17950 2698 1 8 . 1 1 38 38 SER CA C 38 61.996 61.996 60.300 1.696 17950 2699 1 8 . 1 1 38 38 SER CB C 38 62.761 62.761 64.151 -1.390 17950 2700 1 8 . 1 1 38 38 SER H H 38 8.546 8.546 7.706 0.840 17950 2701 1 8 . 1 1 39 39 LEU N N 39 121.277 121.277 120.248 1.029 17950 2702 1 8 . 1 1 39 39 LEU HA H 39 4.213 4.213 4.184 0.029 17950 2703 1 8 . 1 1 39 39 LEU C C 39 179.777 179.777 179.367 0.410 17950 2704 1 8 . 1 1 39 39 LEU CA C 39 57.171 57.171 57.727 -0.556 17950 2705 1 8 . 1 1 39 39 LEU CB C 39 41.340 41.340 42.424 -1.084 17950 2706 1 8 . 1 1 39 39 LEU H H 39 8.115 8.115 7.356 0.759 17950 2707 1 8 . 1 1 40 40 ILE N N 40 120.137 120.137 117.750 2.387 17950 2708 1 8 . 1 1 40 40 ILE HA H 40 3.701 3.701 3.987 -0.286 17950 2709 1 8 . 1 1 40 40 ILE C C 40 178.413 178.413 176.599 1.814 17950 2710 1 8 . 1 1 40 40 ILE CA C 40 63.624 63.624 63.775 -0.151 17950 2711 1 8 . 1 1 40 40 ILE CB C 40 38.778 38.778 38.103 0.675 17950 2712 1 8 . 1 1 40 40 ILE H H 40 7.525 7.525 7.984 -0.459 17950 2713 1 8 . 1 1 41 41 LEU N N 41 117.023 117.023 116.665 0.358 17950 2714 1 8 . 1 1 41 41 LEU HA H 41 4.406 4.406 4.695 -0.289 17950 2715 1 8 . 1 1 41 41 LEU C C 41 176.196 176.196 175.979 0.217 17950 2716 1 8 . 1 1 41 41 LEU CA C 41 54.256 54.256 53.251 1.005 17950 2717 1 8 . 1 1 41 41 LEU CB C 41 41.891 41.891 40.986 0.905 17950 2718 1 8 . 1 1 41 41 LEU H H 41 7.608 7.608 7.674 -0.066 17950 2719 1 8 . 1 1 42 42 LYS N N 42 116.369 116.369 117.961 -1.592 17950 2720 1 8 . 1 1 42 42 LYS HA H 42 4.050 4.050 4.197 -0.147 17950 2721 1 8 . 1 1 42 42 LYS C C 42 177.139 177.139 177.586 -0.447 17950 2722 1 8 . 1 1 42 42 LYS CA C 42 59.111 59.111 57.992 1.119 17950 2723 1 8 . 1 1 42 42 LYS CB C 42 32.553 32.553 32.308 0.245 17950 2724 1 8 . 1 1 42 42 LYS H H 42 6.645 6.645 7.362 -0.717 17950 2725 1 8 . 1 1 43 43 SER N N 43 115.061 115.061 114.574 0.487 17950 2726 1 8 . 1 1 43 43 SER HA H 43 4.407 4.407 4.299 0.108 17950 2727 1 8 . 1 1 43 43 SER C C 43 173.754 173.754 174.719 -0.965 17950 2728 1 8 . 1 1 43 43 SER CA C 43 58.850 58.850 60.443 -1.593 17950 2729 1 8 . 1 1 43 43 SER CB C 43 63.117 63.117 63.447 -0.330 17950 2730 1 8 . 1 1 43 43 SER H H 43 8.443 8.443 8.516 -0.073 17950 2731 1 8 . 1 1 44 44 ARG N N 44 119.658 119.658 118.940 0.718 17950 2732 1 8 . 1 1 44 44 ARG HA H 44 4.674 4.674 4.531 0.143 17950 2733 1 8 . 1 1 44 44 ARG C C 44 174.410 174.410 174.258 0.152 17950 2734 1 8 . 1 1 44 44 ARG CA C 44 52.244 52.244 55.376 -3.132 17950 2735 1 8 . 1 1 44 44 ARG CB C 44 31.309 31.309 32.025 -0.716 17950 2736 1 8 . 1 1 44 44 ARG H H 44 8.036 8.036 7.863 0.173 17950 2737 1 8 . 1 1 45 45 SER N N 45 116.676 116.676 113.993 2.683 17950 2738 1 8 . 1 1 45 45 SER HA H 45 4.764 4.764 4.723 0.041 17950 2739 1 8 . 1 1 45 45 SER C C 45 175.294 175.294 175.451 -0.157 17950 2740 1 8 . 1 1 45 45 SER CA C 45 55.857 55.857 56.615 -0.758 17950 2741 1 8 . 1 1 45 45 SER CB C 45 66.828 66.828 65.975 0.853 17950 2742 1 8 . 1 1 45 45 SER H H 45 9.180 9.180 8.273 0.907 17950 2743 1 8 . 1 1 46 46 ASN N N 46 118.004 118.004 120.453 -2.449 17950 2744 1 8 . 1 1 46 46 ASN HA H 46 3.954 3.954 4.434 -0.480 17950 2745 1 8 . 1 1 46 46 ASN C C 46 176.356 176.356 177.379 -1.023 17950 2746 1 8 . 1 1 46 46 ASN CA C 46 57.734 57.734 56.643 1.091 17950 2747 1 8 . 1 1 46 46 ASN CB C 46 36.901 36.901 38.431 -1.530 17950 2748 1 8 . 1 1 46 46 ASN H H 46 9.005 9.005 8.765 0.240 17950 2749 1 8 . 1 1 47 47 VAL N N 47 119.294 119.294 118.901 0.393 17950 2750 1 8 . 1 1 47 47 VAL HA H 47 3.422 3.422 3.469 -0.047 17950 2751 1 8 . 1 1 47 47 VAL C C 47 176.899 176.899 177.016 -0.117 17950 2752 1 8 . 1 1 47 47 VAL CA C 47 65.439 65.439 65.476 -0.037 17950 2753 1 8 . 1 1 47 47 VAL CB C 47 31.863 31.863 31.578 0.285 17950 2754 1 8 . 1 1 47 47 VAL H H 47 7.329 7.329 7.940 -0.611 17950 2755 1 8 . 1 1 48 48 ASP N N 48 120.297 120.297 120.039 0.258 17950 2756 1 8 . 1 1 48 48 ASP HA H 48 4.358 4.358 4.444 -0.086 17950 2757 1 8 . 1 1 48 48 ASP C C 48 179.879 179.879 178.706 1.173 17950 2758 1 8 . 1 1 48 48 ASP CA C 48 57.162 57.162 57.533 -0.371 17950 2759 1 8 . 1 1 48 48 ASP CB C 48 41.040 41.040 40.618 0.422 17950 2760 1 8 . 1 1 48 48 ASP H H 48 7.597 7.597 7.854 -0.257 17950 2761 1 8 . 1 1 49 49 LEU N N 49 119.624 119.624 120.338 -0.714 17950 2762 1 8 . 1 1 49 49 LEU HA H 49 3.824 3.824 4.104 -0.280 17950 2763 1 8 . 1 1 49 49 LEU C C 49 176.207 176.207 178.657 -2.450 17950 2764 1 8 . 1 1 49 49 LEU CA C 49 59.202 59.202 58.186 1.016 17950 2765 1 8 . 1 1 49 49 LEU CB C 49 41.113 41.113 41.384 -0.271 17950 2766 1 8 . 1 1 49 49 LEU H H 49 7.835 7.835 7.508 0.327 17950 2767 1 8 . 1 1 50 50 LYS N N 50 119.306 119.306 117.893 1.413 17950 2768 1 8 . 1 1 50 50 LYS HA H 50 2.427 2.427 4.016 -1.589 17950 2769 1 8 . 1 1 50 50 LYS C C 50 178.745 178.745 178.823 -0.078 17950 2770 1 8 . 1 1 50 50 LYS CA C 50 59.310 59.310 59.649 -0.339 17950 2771 1 8 . 1 1 50 50 LYS CB C 50 31.906 31.906 31.654 0.252 17950 2772 1 8 . 1 1 50 50 LYS H H 50 6.788 6.788 7.926 -1.138 17950 2773 1 8 . 1 1 51 51 ASP N N 51 118.721 118.721 120.464 -1.743 17950 2774 1 8 . 1 1 51 51 ASP HA H 51 4.167 4.167 4.432 -0.265 17950 2775 1 8 . 1 1 51 51 ASP C C 51 178.461 178.461 178.453 0.008 17950 2776 1 8 . 1 1 51 51 ASP CA C 51 56.852 56.852 57.498 -0.646 17950 2777 1 8 . 1 1 51 51 ASP CB C 51 40.475 40.475 40.985 -0.510 17950 2778 1 8 . 1 1 51 51 ASP H H 51 8.203 8.203 7.812 0.391 17950 2779 1 8 . 1 1 52 52 LYS N N 52 121.009 121.009 120.167 0.842 17950 2780 1 8 . 1 1 52 52 LYS HA H 52 3.776 3.776 4.022 -0.246 17950 2781 1 8 . 1 1 52 52 LYS C C 52 178.328 178.328 179.331 -1.003 17950 2782 1 8 . 1 1 52 52 LYS CA C 52 56.841 56.841 59.417 -2.576 17950 2783 1 8 . 1 1 52 52 LYS CB C 52 31.473 31.473 32.197 -0.724 17950 2784 1 8 . 1 1 52 52 LYS H H 52 7.842 7.842 8.141 -0.299 17950 2785 1 8 . 1 1 53 53 TRP N N 53 119.577 119.577 119.564 0.013 17950 2786 1 8 . 1 1 53 53 TRP HA H 53 4.121 4.121 4.325 -0.204 17950 2787 1 8 . 1 1 53 53 TRP C C 53 178.056 178.056 178.817 -0.761 17950 2788 1 8 . 1 1 53 53 TRP CA C 53 59.505 59.505 59.808 -0.303 17950 2789 1 8 . 1 1 53 53 TRP CB C 53 30.004 30.004 29.521 0.483 17950 2790 1 8 . 1 1 53 53 TRP H H 53 8.469 8.469 8.742 -0.273 17950 2791 1 8 . 1 1 54 54 ARG N N 54 117.607 117.607 120.220 -2.613 17950 2792 1 8 . 1 1 54 54 ARG HA H 54 3.721 3.721 3.969 -0.248 17950 2793 1 8 . 1 1 54 54 ARG C C 54 177.399 177.399 178.053 -0.654 17950 2794 1 8 . 1 1 54 54 ARG CA C 54 59.030 59.030 59.578 -0.548 17950 2795 1 8 . 1 1 54 54 ARG CB C 54 29.401 29.401 30.272 -0.871 17950 2796 1 8 . 1 1 54 54 ARG H H 54 7.527 7.527 7.933 -0.406 17950 2797 1 8 . 1 1 55 55 ASN N N 55 115.552 115.552 117.791 -2.239 17950 2798 1 8 . 1 1 55 55 ASN HA H 55 4.387 4.387 4.496 -0.109 17950 2799 1 8 . 1 1 55 55 ASN C C 55 176.869 176.869 177.837 -0.968 17950 2800 1 8 . 1 1 55 55 ASN CA C 55 55.320 55.320 56.245 -0.925 17950 2801 1 8 . 1 1 55 55 ASN CB C 55 39.679 39.679 38.407 1.272 17950 2802 1 8 . 1 1 55 55 ASN H H 55 7.242 7.242 8.361 -1.119 17950 2803 1 8 . 1 1 56 56 ILE N N 56 117.285 117.285 117.737 -0.452 17950 2804 1 8 . 1 1 56 56 ILE HA H 56 3.768 3.768 4.097 -0.329 17950 2805 1 8 . 1 1 56 56 ILE C C 56 176.781 176.781 177.081 -0.300 17950 2806 1 8 . 1 1 56 56 ILE CA C 56 62.932 62.932 63.164 -0.232 17950 2807 1 8 . 1 1 56 56 ILE CB C 56 38.341 38.341 38.268 0.073 17950 2808 1 8 . 1 1 56 56 ILE H H 56 7.760 7.760 7.677 0.083 17950 2809 1 8 . 1 1 57 57 SER N N 57 116.184 116.184 114.292 1.892 17950 2810 1 8 . 1 1 57 57 SER HA H 57 3.676 3.676 4.506 -0.830 17950 2811 1 8 . 1 1 57 57 SER C C 57 174.964 174.964 175.251 -0.287 17950 2812 1 8 . 1 1 57 57 SER CA C 57 59.435 59.435 59.147 0.288 17950 2813 1 8 . 1 1 57 57 SER CB C 57 63.062 63.062 63.309 -0.247 17950 2814 1 8 . 1 1 57 57 SER H H 57 7.635 7.635 7.437 0.198 17950 2815 1 8 . 1 1 58 58 VAL N N 58 119.671 119.671 120.326 -0.655 17950 2816 1 8 . 1 1 58 58 VAL HA H 58 3.959 3.959 4.195 -0.236 17950 2817 1 8 . 1 1 58 58 VAL C C 58 176.787 176.787 175.685 1.102 17950 2818 1 8 . 1 1 58 58 VAL CA C 58 63.249 63.249 63.092 0.157 17950 2819 1 8 . 1 1 58 58 VAL CB C 58 31.964 31.964 32.927 -0.963 17950 2820 1 8 . 1 1 58 58 VAL H H 58 7.454 7.454 7.435 0.019 17950 2821 1 8 . 1 1 59 59 THR N N 59 114.912 114.912 116.023 -1.111 17950 2822 1 8 . 1 1 59 59 THR HA H 59 3.924 3.924 4.658 -0.734 17950 2823 1 8 . 1 1 59 59 THR C C 59 174.839 174.839 173.709 1.130 17950 2824 1 8 . 1 1 59 59 THR CA C 59 62.616 62.616 60.683 1.933 17950 2825 1 8 . 1 1 59 59 THR CB C 59 69.358 69.358 68.567 0.791 17950 2826 1 8 . 1 1 59 59 THR H H 59 7.681 7.681 7.907 -0.226 17950 2827 1 8 . 1 1 60 60 ALA N N 60 124.969 124.969 130.280 -5.311 17950 2828 1 8 . 1 1 60 60 ALA HA H 60 4.094 4.094 4.561 -0.467 17950 2829 1 8 . 1 1 60 60 ALA C C 60 177.636 177.636 177.827 -0.191 17950 2830 1 8 . 1 1 60 60 ALA CA C 60 52.909 52.909 53.456 -0.547 17950 2831 1 8 . 1 1 60 60 ALA CB C 60 18.757 18.757 19.149 -0.392 17950 2832 1 8 . 1 1 60 60 ALA H H 60 7.939 7.939 8.619 -0.680 17950 2833 1 8 . 1 1 61 61 LEU N N 61 119.572 119.572 114.147 5.425 17950 2834 1 8 . 1 1 61 61 LEU HA H 61 4.150 4.150 4.585 -0.435 17950 2835 1 8 . 1 1 61 61 LEU C C 61 177.260 177.260 177.158 0.102 17950 2836 1 8 . 1 1 61 61 LEU CA C 61 55.183 55.183 54.849 0.334 17950 2837 1 8 . 1 1 61 61 LEU CB C 61 41.901 41.901 42.048 -0.147 17950 2838 1 8 . 1 1 61 61 LEU H H 61 7.812 7.812 7.563 0.249 17950 2839 1 8 . 1 1 62 62 TRP N N 62 120.635 120.635 121.962 -1.327 17950 2840 1 8 . 1 1 62 62 TRP HA H 62 4.617 4.617 4.407 0.210 17950 2841 1 8 . 1 1 62 62 TRP C C 62 176.752 176.752 177.322 -0.570 17950 2842 1 8 . 1 1 62 62 TRP CA C 62 57.262 57.262 59.520 -2.258 17950 2843 1 8 . 1 1 62 62 TRP CB C 62 29.579 29.579 28.625 0.954 17950 2844 1 8 . 1 1 62 62 TRP H H 62 7.851 7.851 8.036 -0.185 17950 2845 1 8 . 1 1 63 63 GLY N N 63 110.695 110.695 111.514 -0.819 17950 2846 1 8 . 1 1 63 63 GLY C C 63 173.238 173.238 174.828 -1.590 17950 2847 1 8 . 1 1 63 63 GLY CA C 63 45.357 45.357 44.609 0.748 17950 2848 1 8 . 1 1 63 63 GLY H H 63 8.132 8.132 8.340 -0.208 17950 2849 1 9 . 1 1 2 2 GLY N N 2 110.542 110.542 110.303 0.239 17950 2850 1 9 . 1 1 2 2 GLY C C 2 173.237 173.237 172.886 0.351 17950 2851 1 9 . 1 1 2 2 GLY CA C 2 44.918 44.918 44.844 0.074 17950 2852 1 9 . 1 1 2 2 GLY H H 2 8.335 8.335 10.145 -1.810 17950 2853 1 9 . 1 1 3 3 ALA N N 3 124.917 124.917 125.164 -0.247 17950 2854 1 9 . 1 1 3 3 ALA HA H 3 4.513 4.513 5.290 -0.777 17950 2855 1 9 . 1 1 3 3 ALA CA C 3 50.370 50.370 51.814 -1.444 17950 2856 1 9 . 1 1 3 3 ALA CB C 3 18.052 18.052 20.654 -2.602 17950 2857 1 9 . 1 1 3 3 ALA H H 3 8.069 8.069 8.824 -0.755 17950 2858 1 9 . 1 1 4 4 PRO HA H 4 4.341 4.341 4.395 -0.054 17950 2859 1 9 . 1 1 4 4 PRO C C 4 177.068 177.068 176.594 0.474 17950 2860 1 9 . 1 1 4 4 PRO CA C 4 63.007 63.007 63.446 -0.439 17950 2861 1 9 . 1 1 4 4 PRO CB C 4 32.015 32.015 31.849 0.166 17950 2862 1 9 . 1 1 5 5 LYS N N 5 121.494 121.494 118.345 3.149 17950 2863 1 9 . 1 1 5 5 LYS HA H 5 4.180 4.180 3.987 0.193 17950 2864 1 9 . 1 1 5 5 LYS C C 5 176.697 176.697 175.589 1.108 17950 2865 1 9 . 1 1 5 5 LYS CA C 5 56.140 56.140 56.787 -0.647 17950 2866 1 9 . 1 1 5 5 LYS CB C 5 32.871 32.871 30.084 2.787 17950 2867 1 9 . 1 1 5 5 LYS H H 5 8.376 8.376 8.504 -0.128 17950 2868 1 9 . 1 1 6 6 GLN N N 6 121.572 121.572 118.819 2.753 17950 2869 1 9 . 1 1 6 6 GLN HA H 6 4.230 4.230 4.427 -0.197 17950 2870 1 9 . 1 1 6 6 GLN C C 6 176.847 176.847 176.361 0.486 17950 2871 1 9 . 1 1 6 6 GLN CA C 6 55.634 55.634 55.032 0.602 17950 2872 1 9 . 1 1 6 6 GLN CB C 6 29.290 29.290 30.304 -1.014 17950 2873 1 9 . 1 1 6 6 GLN H H 6 8.438 8.438 8.058 0.380 17950 2874 1 9 . 1 1 7 7 LYS N N 7 125.757 125.757 121.198 4.559 17950 2875 1 9 . 1 1 7 7 LYS HA H 7 4.259 4.259 4.018 0.241 17950 2876 1 9 . 1 1 7 7 LYS C C 7 176.770 176.770 176.850 -0.080 17950 2877 1 9 . 1 1 7 7 LYS CA C 7 56.899 56.899 57.541 -0.642 17950 2878 1 9 . 1 1 7 7 LYS CB C 7 32.782 32.782 32.125 0.657 17950 2879 1 9 . 1 1 7 7 LYS H H 7 8.500 8.500 8.299 0.201 17950 2880 1 9 . 1 1 8 8 TRP N N 8 125.581 125.581 117.998 7.583 17950 2881 1 9 . 1 1 8 8 TRP HA H 8 4.504 4.504 4.520 -0.016 17950 2882 1 9 . 1 1 8 8 TRP C C 8 177.459 177.459 176.453 1.006 17950 2883 1 9 . 1 1 8 8 TRP CA C 8 57.777 57.777 56.931 0.846 17950 2884 1 9 . 1 1 8 8 TRP CB C 8 28.836 28.836 29.965 -1.129 17950 2885 1 9 . 1 1 8 8 TRP H H 8 8.959 8.959 7.355 1.604 17950 2886 1 9 . 1 1 9 9 THR N N 9 115.986 115.986 109.113 6.873 17950 2887 1 9 . 1 1 9 9 THR HA H 9 4.759 4.759 4.889 -0.130 17950 2888 1 9 . 1 1 9 9 THR CA C 9 59.565 59.565 59.282 0.283 17950 2889 1 9 . 1 1 9 9 THR CB C 9 68.786 68.786 70.792 -2.006 17950 2890 1 9 . 1 1 9 9 THR H H 9 9.105 9.105 8.341 0.764 17950 2891 1 9 . 1 1 10 10 PRO HA H 10 4.369 4.369 4.550 -0.181 17950 2892 1 9 . 1 1 10 10 PRO C C 10 180.115 180.115 178.773 1.342 17950 2893 1 9 . 1 1 10 10 PRO CA C 10 65.387 65.387 64.740 0.647 17950 2894 1 9 . 1 1 10 10 PRO CB C 10 31.739 31.739 32.207 -0.468 17950 2895 1 9 . 1 1 11 11 GLU N N 11 118.329 118.329 118.746 -0.417 17950 2896 1 9 . 1 1 11 11 GLU HA H 11 4.065 4.065 4.028 0.037 17950 2897 1 9 . 1 1 11 11 GLU C C 11 180.122 180.122 178.855 1.267 17950 2898 1 9 . 1 1 11 11 GLU CA C 11 60.640 60.640 60.194 0.446 17950 2899 1 9 . 1 1 11 11 GLU CB C 11 28.680 28.680 29.398 -0.718 17950 2900 1 9 . 1 1 11 11 GLU H H 11 9.009 9.009 9.077 -0.068 17950 2901 1 9 . 1 1 12 12 GLU N N 12 121.178 121.178 118.459 2.719 17950 2902 1 9 . 1 1 12 12 GLU HA H 12 3.857 3.857 4.043 -0.186 17950 2903 1 9 . 1 1 12 12 GLU C C 12 179.021 179.021 178.932 0.089 17950 2904 1 9 . 1 1 12 12 GLU CA C 12 59.900 59.900 59.314 0.586 17950 2905 1 9 . 1 1 12 12 GLU CB C 12 32.276 32.276 29.319 2.957 17950 2906 1 9 . 1 1 12 12 GLU H H 12 7.952 7.952 7.841 0.111 17950 2907 1 9 . 1 1 13 13 GLU N N 13 118.771 118.771 119.981 -1.210 17950 2908 1 9 . 1 1 13 13 GLU HA H 13 3.928 3.928 3.917 0.011 17950 2909 1 9 . 1 1 13 13 GLU C C 13 178.499 178.499 178.897 -0.398 17950 2910 1 9 . 1 1 13 13 GLU CA C 13 61.052 61.052 59.250 1.802 17950 2911 1 9 . 1 1 13 13 GLU CB C 13 29.552 29.552 29.491 0.060 17950 2912 1 9 . 1 1 13 13 GLU H H 13 8.446 8.446 7.621 0.825 17950 2913 1 9 . 1 1 14 14 ALA N N 14 120.274 120.274 121.077 -0.803 17950 2914 1 9 . 1 1 14 14 ALA HA H 14 4.095 4.095 4.103 -0.008 17950 2915 1 9 . 1 1 14 14 ALA C C 14 180.719 180.719 179.661 1.058 17950 2916 1 9 . 1 1 14 14 ALA CA C 14 55.053 55.053 54.986 0.067 17950 2917 1 9 . 1 1 14 14 ALA CB C 14 18.019 18.019 18.284 -0.265 17950 2918 1 9 . 1 1 14 14 ALA H H 14 8.434 8.434 8.223 0.211 17950 2919 1 9 . 1 1 15 15 ALA N N 15 122.356 122.356 121.191 1.165 17950 2920 1 9 . 1 1 15 15 ALA HA H 15 4.381 4.381 4.159 0.222 17950 2921 1 9 . 1 1 15 15 ALA C C 15 178.553 178.553 179.199 -0.646 17950 2922 1 9 . 1 1 15 15 ALA CA C 15 54.786 54.786 54.749 0.037 17950 2923 1 9 . 1 1 15 15 ALA CB C 15 18.779 18.779 18.677 0.102 17950 2924 1 9 . 1 1 15 15 ALA H H 15 7.900 7.900 8.044 -0.144 17950 2925 1 9 . 1 1 16 16 LEU N N 16 118.626 118.626 120.047 -1.421 17950 2926 1 9 . 1 1 16 16 LEU HA H 16 3.921 3.921 3.795 0.126 17950 2927 1 9 . 1 1 16 16 LEU C C 16 177.536 177.536 178.451 -0.915 17950 2928 1 9 . 1 1 16 16 LEU CA C 16 58.384 58.384 58.152 0.232 17950 2929 1 9 . 1 1 16 16 LEU CB C 16 42.189 42.189 41.665 0.524 17950 2930 1 9 . 1 1 16 16 LEU H H 16 8.182 8.182 8.214 -0.032 17950 2931 1 9 . 1 1 17 17 LYS N N 17 117.009 117.009 118.446 -1.437 17950 2932 1 9 . 1 1 17 17 LYS HA H 17 3.906 3.906 3.798 0.108 17950 2933 1 9 . 1 1 17 17 LYS C C 17 178.796 178.796 178.732 0.064 17950 2934 1 9 . 1 1 17 17 LYS CA C 17 60.496 60.496 59.083 1.413 17950 2935 1 9 . 1 1 17 17 LYS CB C 17 32.720 32.720 31.603 1.117 17950 2936 1 9 . 1 1 17 17 LYS H H 17 8.029 8.029 7.608 0.421 17950 2937 1 9 . 1 1 18 18 ALA N N 18 121.422 121.422 120.898 0.524 17950 2938 1 9 . 1 1 18 18 ALA HA H 18 4.021 4.021 4.055 -0.034 17950 2939 1 9 . 1 1 18 18 ALA C C 18 180.627 180.627 179.682 0.945 17950 2940 1 9 . 1 1 18 18 ALA CA C 18 54.752 54.752 54.963 -0.211 17950 2941 1 9 . 1 1 18 18 ALA CB C 18 18.405 18.405 17.977 0.428 17950 2942 1 9 . 1 1 18 18 ALA H H 18 8.174 8.174 7.605 0.569 17950 2943 1 9 . 1 1 19 19 GLY N N 19 110.862 110.862 106.723 4.139 17950 2944 1 9 . 1 1 19 19 GLY C C 19 174.803 174.803 176.121 -1.318 17950 2945 1 9 . 1 1 19 19 GLY CA C 19 47.190 47.190 46.799 0.391 17950 2946 1 9 . 1 1 19 19 GLY H H 19 8.503 8.503 7.371 1.132 17950 2947 1 9 . 1 1 20 20 VAL N N 20 123.677 123.677 122.963 0.714 17950 2948 1 9 . 1 1 20 20 VAL HA H 20 3.166 3.166 3.676 -0.510 17950 2949 1 9 . 1 1 20 20 VAL C C 20 179.632 179.632 177.555 2.077 17950 2950 1 9 . 1 1 20 20 VAL CA C 20 65.603 65.603 66.056 -0.453 17950 2951 1 9 . 1 1 20 20 VAL CB C 20 30.946 30.946 31.973 -1.027 17950 2952 1 9 . 1 1 20 20 VAL H H 20 8.106 8.106 7.641 0.465 17950 2953 1 9 . 1 1 21 21 LEU N N 21 122.348 122.348 118.465 3.883 17950 2954 1 9 . 1 1 21 21 LEU HA H 21 3.894 3.894 4.054 -0.160 17950 2955 1 9 . 1 1 21 21 LEU C C 21 178.085 178.085 178.699 -0.614 17950 2956 1 9 . 1 1 21 21 LEU CA C 21 58.028 58.028 57.451 0.577 17950 2957 1 9 . 1 1 21 21 LEU CB C 21 41.401 41.401 42.010 -0.608 17950 2958 1 9 . 1 1 21 21 LEU H H 21 7.817 7.817 7.804 0.013 17950 2959 1 9 . 1 1 22 22 LYS N N 22 117.663 117.663 117.794 -0.131 17950 2960 1 9 . 1 1 22 22 LYS HA H 22 3.837 3.837 4.054 -0.217 17950 2961 1 9 . 1 1 22 22 LYS C C 22 177.740 177.740 177.846 -0.106 17950 2962 1 9 . 1 1 22 22 LYS CA C 22 59.206 59.206 58.835 0.371 17950 2963 1 9 . 1 1 22 22 LYS CB C 22 35.176 35.176 32.461 2.715 17950 2964 1 9 . 1 1 22 22 LYS H H 22 7.520 7.520 7.815 -0.295 17950 2965 1 9 . 1 1 23 23 HIS N N 23 113.904 113.904 113.930 -0.026 17950 2966 1 9 . 1 1 23 23 HIS HA H 23 4.625 4.625 4.662 -0.037 17950 2967 1 9 . 1 1 23 23 HIS C C 23 176.122 176.122 174.874 1.248 17950 2968 1 9 . 1 1 23 23 HIS CA C 23 57.211 57.211 55.922 1.289 17950 2969 1 9 . 1 1 23 23 HIS CB C 23 33.414 33.414 33.268 0.146 17950 2970 1 9 . 1 1 23 23 HIS H H 23 8.311 8.311 7.721 0.590 17950 2971 1 9 . 1 1 24 24 GLY N N 24 110.098 110.098 108.017 2.081 17950 2972 1 9 . 1 1 24 24 GLY C C 24 173.041 173.041 172.393 0.648 17950 2973 1 9 . 1 1 24 24 GLY CA C 24 43.563 43.563 44.926 -1.363 17950 2974 1 9 . 1 1 24 24 GLY H H 24 8.158 8.158 7.517 0.641 17950 2975 1 9 . 1 1 25 25 THR N N 25 108.590 108.590 116.846 -8.256 17950 2976 1 9 . 1 1 25 25 THR HA H 25 3.123 3.123 4.214 -1.091 17950 2977 1 9 . 1 1 25 25 THR C C 25 174.866 174.866 175.346 -0.480 17950 2978 1 9 . 1 1 25 25 THR CA C 25 61.992 61.992 64.508 -2.516 17950 2979 1 9 . 1 1 25 25 THR CB C 25 69.110 69.110 69.092 0.018 17950 2980 1 9 . 1 1 25 25 THR H H 25 7.826 7.826 8.447 -0.621 17950 2981 1 9 . 1 1 26 26 GLY N N 26 106.794 106.794 115.367 -8.573 17950 2982 1 9 . 1 1 26 26 GLY C C 26 173.988 173.988 174.122 -0.134 17950 2983 1 9 . 1 1 26 26 GLY CA C 26 45.639 45.639 44.487 1.152 17950 2984 1 9 . 1 1 26 26 GLY H H 26 5.553 5.553 8.414 -2.861 17950 2985 1 9 . 1 1 27 27 LYS N N 27 122.617 122.617 123.033 -0.416 17950 2986 1 9 . 1 1 27 27 LYS HA H 27 4.499 4.499 4.304 0.195 17950 2987 1 9 . 1 1 27 27 LYS C C 27 176.586 176.586 176.030 0.556 17950 2988 1 9 . 1 1 27 27 LYS CA C 27 53.590 53.590 54.639 -1.049 17950 2989 1 9 . 1 1 27 27 LYS CB C 27 30.298 30.298 29.828 0.470 17950 2990 1 9 . 1 1 27 27 LYS H H 27 7.025 7.025 7.519 -0.494 17950 2991 1 9 . 1 1 28 28 TRP N N 28 119.816 119.816 122.852 -3.036 17950 2992 1 9 . 1 1 28 28 TRP HA H 28 4.130 4.130 4.013 0.117 17950 2993 1 9 . 1 1 28 28 TRP C C 28 178.012 178.012 177.735 0.277 17950 2994 1 9 . 1 1 28 28 TRP CA C 28 58.414 58.414 59.603 -1.189 17950 2995 1 9 . 1 1 28 28 TRP CB C 28 30.008 30.008 28.466 1.542 17950 2996 1 9 . 1 1 28 28 TRP H H 28 6.384 6.384 7.341 -0.957 17950 2997 1 9 . 1 1 29 29 ARG N N 29 115.616 115.616 119.199 -3.583 17950 2998 1 9 . 1 1 29 29 ARG HA H 29 3.963 3.963 4.132 -0.169 17950 2999 1 9 . 1 1 29 29 ARG C C 29 178.821 178.821 178.007 0.814 17950 3000 1 9 . 1 1 29 29 ARG CA C 29 59.381 59.381 59.500 -0.119 17950 3001 1 9 . 1 1 29 29 ARG CB C 29 29.366 29.366 29.322 0.044 17950 3002 1 9 . 1 1 29 29 ARG H H 29 8.465 8.465 8.519 -0.054 17950 3003 1 9 . 1 1 30 30 THR N N 30 118.439 118.439 115.973 2.466 17950 3004 1 9 . 1 1 30 30 THR HA H 30 3.594 3.594 4.137 -0.543 17950 3005 1 9 . 1 1 30 30 THR C C 30 176.351 176.351 176.338 0.013 17950 3006 1 9 . 1 1 30 30 THR CA C 30 66.347 66.347 66.720 -0.373 17950 3007 1 9 . 1 1 30 30 THR CB C 30 68.157 68.157 68.632 -0.475 17950 3008 1 9 . 1 1 30 30 THR H H 30 7.451 7.451 7.721 -0.270 17950 3009 1 9 . 1 1 31 31 ILE N N 31 121.530 121.530 121.501 0.029 17950 3010 1 9 . 1 1 31 31 ILE HA H 31 3.403 3.403 3.824 -0.421 17950 3011 1 9 . 1 1 31 31 ILE C C 31 176.326 176.326 177.043 -0.717 17950 3012 1 9 . 1 1 31 31 ILE CA C 31 66.885 66.885 65.385 1.500 17950 3013 1 9 . 1 1 31 31 ILE CB C 31 38.320 38.320 37.701 0.619 17950 3014 1 9 . 1 1 31 31 ILE H H 31 7.551 7.551 8.221 -0.670 17950 3015 1 9 . 1 1 32 32 LEU N N 32 113.721 113.721 117.059 -3.338 17950 3016 1 9 . 1 1 32 32 LEU HA H 32 3.871 3.871 4.239 -0.368 17950 3017 1 9 . 1 1 32 32 LEU C C 32 177.633 177.633 177.643 -0.010 17950 3018 1 9 . 1 1 32 32 LEU CA C 32 56.846 56.846 56.505 0.341 17950 3019 1 9 . 1 1 32 32 LEU CB C 32 42.246 42.246 42.227 0.019 17950 3020 1 9 . 1 1 32 32 LEU H H 32 7.317 7.317 7.817 -0.500 17950 3021 1 9 . 1 1 33 33 SER N N 33 110.515 110.515 112.240 -1.725 17950 3022 1 9 . 1 1 33 33 SER HA H 33 4.442 4.442 4.376 0.066 17950 3023 1 9 . 1 1 33 33 SER C C 33 173.479 173.479 174.770 -1.291 17950 3024 1 9 . 1 1 33 33 SER CA C 33 58.210 58.210 59.319 -1.109 17950 3025 1 9 . 1 1 33 33 SER CB C 33 64.194 64.194 63.677 0.517 17950 3026 1 9 . 1 1 33 33 SER H H 33 7.389 7.389 7.487 -0.098 17950 3027 1 9 . 1 1 34 34 ASP N N 34 125.920 125.920 122.344 3.576 17950 3028 1 9 . 1 1 34 34 ASP HA H 34 4.617 4.617 4.671 -0.054 17950 3029 1 9 . 1 1 34 34 ASP C C 34 178.020 178.020 177.549 0.471 17950 3030 1 9 . 1 1 34 34 ASP CA C 34 53.652 53.652 54.116 -0.464 17950 3031 1 9 . 1 1 34 34 ASP CB C 34 42.056 42.056 41.228 0.827 17950 3032 1 9 . 1 1 34 34 ASP H H 34 7.426 7.426 8.082 -0.656 17950 3033 1 9 . 1 1 35 35 THR N N 35 122.180 122.180 122.726 -0.546 17950 3034 1 9 . 1 1 35 35 THR HA H 35 4.223 4.223 3.992 0.231 17950 3035 1 9 . 1 1 35 35 THR C C 35 175.997 175.997 176.141 -0.144 17950 3036 1 9 . 1 1 35 35 THR CA C 35 64.686 64.686 65.937 -1.251 17950 3037 1 9 . 1 1 35 35 THR CB C 35 68.728 68.728 68.729 -0.001 17950 3038 1 9 . 1 1 35 35 THR H H 35 8.689 8.689 8.583 0.106 17950 3039 1 9 . 1 1 36 36 GLU N N 36 122.403 122.403 120.707 1.696 17950 3040 1 9 . 1 1 36 36 GLU HA H 36 3.698 3.698 3.902 -0.204 17950 3041 1 9 . 1 1 36 36 GLU C C 36 177.497 177.497 176.781 0.716 17950 3042 1 9 . 1 1 36 36 GLU CA C 36 59.317 59.317 58.441 0.876 17950 3043 1 9 . 1 1 36 36 GLU CB C 36 29.107 29.107 29.327 -0.220 17950 3044 1 9 . 1 1 36 36 GLU H H 36 8.818 8.818 7.890 0.928 17950 3045 1 9 . 1 1 37 37 PHE N N 37 114.348 114.348 114.443 -0.095 17950 3046 1 9 . 1 1 37 37 PHE HA H 37 4.857 4.857 4.883 -0.026 17950 3047 1 9 . 1 1 37 37 PHE C C 37 177.191 177.191 175.327 1.864 17950 3048 1 9 . 1 1 37 37 PHE CA C 37 56.463 56.463 57.180 -0.717 17950 3049 1 9 . 1 1 37 37 PHE CB C 37 41.086 41.086 40.091 0.995 17950 3050 1 9 . 1 1 37 37 PHE H H 37 7.477 7.477 7.997 -0.520 17950 3051 1 9 . 1 1 38 38 SER N N 38 114.722 114.722 118.003 -3.281 17950 3052 1 9 . 1 1 38 38 SER HA H 38 3.822 3.822 4.455 -0.633 17950 3053 1 9 . 1 1 38 38 SER C C 38 176.516 176.516 175.648 0.868 17950 3054 1 9 . 1 1 38 38 SER CA C 38 61.996 61.996 60.851 1.145 17950 3055 1 9 . 1 1 38 38 SER CB C 38 62.761 62.761 63.969 -1.208 17950 3056 1 9 . 1 1 38 38 SER H H 38 8.546 8.546 7.665 0.881 17950 3057 1 9 . 1 1 39 39 LEU N N 39 121.277 121.277 121.088 0.189 17950 3058 1 9 . 1 1 39 39 LEU HA H 39 4.213 4.213 4.144 0.069 17950 3059 1 9 . 1 1 39 39 LEU C C 39 179.777 179.777 179.102 0.675 17950 3060 1 9 . 1 1 39 39 LEU CA C 39 57.171 57.171 57.352 -0.181 17950 3061 1 9 . 1 1 39 39 LEU CB C 39 41.340 41.340 42.246 -0.906 17950 3062 1 9 . 1 1 39 39 LEU H H 39 8.115 8.115 7.324 0.791 17950 3063 1 9 . 1 1 40 40 ILE N N 40 120.137 120.137 115.934 4.203 17950 3064 1 9 . 1 1 40 40 ILE HA H 40 3.701 3.701 4.034 -0.333 17950 3065 1 9 . 1 1 40 40 ILE C C 40 178.413 178.413 176.496 1.917 17950 3066 1 9 . 1 1 40 40 ILE CA C 40 63.624 63.624 63.498 0.126 17950 3067 1 9 . 1 1 40 40 ILE CB C 40 38.778 38.778 38.221 0.557 17950 3068 1 9 . 1 1 40 40 ILE H H 40 7.525 7.525 7.972 -0.447 17950 3069 1 9 . 1 1 41 41 LEU N N 41 117.023 117.023 116.650 0.373 17950 3070 1 9 . 1 1 41 41 LEU HA H 41 4.406 4.406 4.683 -0.277 17950 3071 1 9 . 1 1 41 41 LEU C C 41 176.196 176.196 176.049 0.147 17950 3072 1 9 . 1 1 41 41 LEU CA C 41 54.256 54.256 53.515 0.741 17950 3073 1 9 . 1 1 41 41 LEU CB C 41 41.891 41.891 40.816 1.075 17950 3074 1 9 . 1 1 41 41 LEU H H 41 7.608 7.608 7.644 -0.036 17950 3075 1 9 . 1 1 42 42 LYS N N 42 116.369 116.369 117.469 -1.100 17950 3076 1 9 . 1 1 42 42 LYS HA H 42 4.050 4.050 4.208 -0.158 17950 3077 1 9 . 1 1 42 42 LYS C C 42 177.139 177.139 177.550 -0.411 17950 3078 1 9 . 1 1 42 42 LYS CA C 42 59.111 59.111 57.831 1.280 17950 3079 1 9 . 1 1 42 42 LYS CB C 42 32.553 32.553 32.454 0.099 17950 3080 1 9 . 1 1 42 42 LYS H H 42 6.645 6.645 7.494 -0.849 17950 3081 1 9 . 1 1 43 43 SER N N 43 115.061 115.061 114.430 0.631 17950 3082 1 9 . 1 1 43 43 SER HA H 43 4.407 4.407 4.243 0.164 17950 3083 1 9 . 1 1 43 43 SER C C 43 173.754 173.754 174.476 -0.722 17950 3084 1 9 . 1 1 43 43 SER CA C 43 58.850 58.850 59.818 -0.968 17950 3085 1 9 . 1 1 43 43 SER CB C 43 63.117 63.117 63.382 -0.265 17950 3086 1 9 . 1 1 43 43 SER H H 43 8.443 8.443 8.568 -0.125 17950 3087 1 9 . 1 1 44 44 ARG N N 44 119.658 119.658 119.557 0.101 17950 3088 1 9 . 1 1 44 44 ARG HA H 44 4.674 4.674 4.557 0.117 17950 3089 1 9 . 1 1 44 44 ARG C C 44 174.410 174.410 174.490 -0.080 17950 3090 1 9 . 1 1 44 44 ARG CA C 44 52.244 52.244 54.379 -2.135 17950 3091 1 9 . 1 1 44 44 ARG CB C 44 31.309 31.309 32.191 -0.882 17950 3092 1 9 . 1 1 44 44 ARG H H 44 8.036 8.036 7.863 0.173 17950 3093 1 9 . 1 1 45 45 SER N N 45 116.676 116.676 113.595 3.081 17950 3094 1 9 . 1 1 45 45 SER HA H 45 4.764 4.764 4.725 0.039 17950 3095 1 9 . 1 1 45 45 SER C C 45 175.294 175.294 175.554 -0.260 17950 3096 1 9 . 1 1 45 45 SER CA C 45 55.857 55.857 55.670 0.187 17950 3097 1 9 . 1 1 45 45 SER CB C 45 66.828 66.828 65.765 1.063 17950 3098 1 9 . 1 1 45 45 SER H H 45 9.180 9.180 8.290 0.890 17950 3099 1 9 . 1 1 46 46 ASN N N 46 118.004 118.004 120.749 -2.745 17950 3100 1 9 . 1 1 46 46 ASN HA H 46 3.954 3.954 4.364 -0.410 17950 3101 1 9 . 1 1 46 46 ASN C C 46 176.356 176.356 176.849 -0.493 17950 3102 1 9 . 1 1 46 46 ASN CA C 46 57.734 57.734 56.428 1.306 17950 3103 1 9 . 1 1 46 46 ASN CB C 46 36.901 36.901 37.617 -0.716 17950 3104 1 9 . 1 1 46 46 ASN H H 46 9.005 9.005 8.760 0.245 17950 3105 1 9 . 1 1 47 47 VAL N N 47 119.294 119.294 119.852 -0.558 17950 3106 1 9 . 1 1 47 47 VAL HA H 47 3.422 3.422 3.612 -0.190 17950 3107 1 9 . 1 1 47 47 VAL C C 47 176.899 176.899 177.479 -0.580 17950 3108 1 9 . 1 1 47 47 VAL CA C 47 65.439 65.439 65.580 -0.141 17950 3109 1 9 . 1 1 47 47 VAL CB C 47 31.863 31.863 31.220 0.643 17950 3110 1 9 . 1 1 47 47 VAL H H 47 7.329 7.329 8.055 -0.726 17950 3111 1 9 . 1 1 48 48 ASP N N 48 120.297 120.297 120.085 0.212 17950 3112 1 9 . 1 1 48 48 ASP HA H 48 4.358 4.358 4.431 -0.073 17950 3113 1 9 . 1 1 48 48 ASP C C 48 179.879 179.879 178.806 1.073 17950 3114 1 9 . 1 1 48 48 ASP CA C 48 57.162 57.162 57.041 0.121 17950 3115 1 9 . 1 1 48 48 ASP CB C 48 41.040 41.040 40.474 0.566 17950 3116 1 9 . 1 1 48 48 ASP H H 48 7.597 7.597 7.797 -0.200 17950 3117 1 9 . 1 1 49 49 LEU N N 49 119.624 119.624 119.691 -0.067 17950 3118 1 9 . 1 1 49 49 LEU HA H 49 3.824 3.824 3.988 -0.164 17950 3119 1 9 . 1 1 49 49 LEU C C 49 176.207 176.207 178.474 -2.267 17950 3120 1 9 . 1 1 49 49 LEU CA C 49 59.202 59.202 57.952 1.250 17950 3121 1 9 . 1 1 49 49 LEU CB C 49 41.113 41.113 41.258 -0.145 17950 3122 1 9 . 1 1 49 49 LEU H H 49 7.835 7.835 7.529 0.306 17950 3123 1 9 . 1 1 50 50 LYS N N 50 119.306 119.306 117.313 1.993 17950 3124 1 9 . 1 1 50 50 LYS HA H 50 2.427 2.427 2.825 -0.398 17950 3125 1 9 . 1 1 50 50 LYS C C 50 178.745 178.745 178.454 0.291 17950 3126 1 9 . 1 1 50 50 LYS CA C 50 59.310 59.310 58.163 1.147 17950 3127 1 9 . 1 1 50 50 LYS CB C 50 31.906 31.906 30.690 1.216 17950 3128 1 9 . 1 1 50 50 LYS H H 50 6.788 6.788 7.411 -0.623 17950 3129 1 9 . 1 1 51 51 ASP N N 51 118.721 118.721 121.025 -2.304 17950 3130 1 9 . 1 1 51 51 ASP HA H 51 4.167 4.167 4.357 -0.190 17950 3131 1 9 . 1 1 51 51 ASP C C 51 178.461 178.461 178.385 0.076 17950 3132 1 9 . 1 1 51 51 ASP CA C 51 56.852 56.852 57.143 -0.291 17950 3133 1 9 . 1 1 51 51 ASP CB C 51 40.475 40.475 40.802 -0.327 17950 3134 1 9 . 1 1 51 51 ASP H H 51 8.203 8.203 7.549 0.654 17950 3135 1 9 . 1 1 52 52 LYS N N 52 121.009 121.009 120.365 0.644 17950 3136 1 9 . 1 1 52 52 LYS HA H 52 3.776 3.776 4.104 -0.328 17950 3137 1 9 . 1 1 52 52 LYS C C 52 178.328 178.328 179.007 -0.679 17950 3138 1 9 . 1 1 52 52 LYS CA C 52 56.841 56.841 59.466 -2.625 17950 3139 1 9 . 1 1 52 52 LYS CB C 52 31.473 31.473 32.311 -0.838 17950 3140 1 9 . 1 1 52 52 LYS H H 52 7.842 7.842 8.333 -0.491 17950 3141 1 9 . 1 1 53 53 TRP N N 53 119.577 119.577 119.521 0.056 17950 3142 1 9 . 1 1 53 53 TRP HA H 53 4.121 4.121 4.371 -0.250 17950 3143 1 9 . 1 1 53 53 TRP C C 53 178.056 178.056 178.783 -0.727 17950 3144 1 9 . 1 1 53 53 TRP CA C 53 59.505 59.505 60.111 -0.606 17950 3145 1 9 . 1 1 53 53 TRP CB C 53 30.004 30.004 29.735 0.269 17950 3146 1 9 . 1 1 53 53 TRP H H 53 8.469 8.469 8.014 0.455 17950 3147 1 9 . 1 1 54 54 ARG N N 54 117.607 117.607 119.715 -2.108 17950 3148 1 9 . 1 1 54 54 ARG HA H 54 3.721 3.721 4.009 -0.288 17950 3149 1 9 . 1 1 54 54 ARG C C 54 177.399 177.399 177.778 -0.379 17950 3150 1 9 . 1 1 54 54 ARG CA C 54 59.030 59.030 59.550 -0.520 17950 3151 1 9 . 1 1 54 54 ARG CB C 54 29.401 29.401 30.248 -0.847 17950 3152 1 9 . 1 1 54 54 ARG H H 54 7.527 7.527 7.941 -0.414 17950 3153 1 9 . 1 1 55 55 ASN N N 55 115.552 115.552 117.662 -2.110 17950 3154 1 9 . 1 1 55 55 ASN HA H 55 4.387 4.387 4.472 -0.085 17950 3155 1 9 . 1 1 55 55 ASN C C 55 176.869 176.869 177.681 -0.812 17950 3156 1 9 . 1 1 55 55 ASN CA C 55 55.320 55.320 56.080 -0.760 17950 3157 1 9 . 1 1 55 55 ASN CB C 55 39.679 39.679 38.672 1.007 17950 3158 1 9 . 1 1 55 55 ASN H H 55 7.242 7.242 7.951 -0.709 17950 3159 1 9 . 1 1 56 56 ILE N N 56 117.285 117.285 116.055 1.230 17950 3160 1 9 . 1 1 56 56 ILE HA H 56 3.768 3.768 4.029 -0.261 17950 3161 1 9 . 1 1 56 56 ILE C C 56 176.781 176.781 176.570 0.211 17950 3162 1 9 . 1 1 56 56 ILE CA C 56 62.932 62.932 62.812 0.120 17950 3163 1 9 . 1 1 56 56 ILE CB C 56 38.341 38.341 38.354 -0.013 17950 3164 1 9 . 1 1 56 56 ILE H H 56 7.760 7.760 7.653 0.107 17950 3165 1 9 . 1 1 57 57 SER N N 57 116.184 116.184 113.688 2.496 17950 3166 1 9 . 1 1 57 57 SER HA H 57 3.676 3.676 4.520 -0.844 17950 3167 1 9 . 1 1 57 57 SER C C 57 174.964 174.964 175.445 -0.481 17950 3168 1 9 . 1 1 57 57 SER CA C 57 59.435 59.435 58.925 0.510 17950 3169 1 9 . 1 1 57 57 SER CB C 57 63.062 63.062 63.922 -0.860 17950 3170 1 9 . 1 1 57 57 SER H H 57 7.635 7.635 7.699 -0.064 17950 3171 1 9 . 1 1 58 58 VAL N N 58 119.671 119.671 120.231 -0.560 17950 3172 1 9 . 1 1 58 58 VAL HA H 58 3.959 3.959 4.035 -0.076 17950 3173 1 9 . 1 1 58 58 VAL C C 58 176.787 176.787 175.676 1.111 17950 3174 1 9 . 1 1 58 58 VAL CA C 58 63.249 63.249 63.320 -0.071 17950 3175 1 9 . 1 1 58 58 VAL CB C 58 31.964 31.964 32.123 -0.159 17950 3176 1 9 . 1 1 58 58 VAL H H 58 7.454 7.454 7.418 0.036 17950 3177 1 9 . 1 1 59 59 THR N N 59 114.912 114.912 115.047 -0.135 17950 3178 1 9 . 1 1 59 59 THR HA H 59 3.924 3.924 4.508 -0.584 17950 3179 1 9 . 1 1 59 59 THR C C 59 174.839 174.839 173.671 1.168 17950 3180 1 9 . 1 1 59 59 THR CA C 59 62.616 62.616 61.325 1.292 17950 3181 1 9 . 1 1 59 59 THR CB C 59 69.358 69.358 67.964 1.394 17950 3182 1 9 . 1 1 59 59 THR H H 59 7.681 7.681 8.039 -0.358 17950 3183 1 9 . 1 1 60 60 ALA N N 60 124.969 124.969 129.225 -4.256 17950 3184 1 9 . 1 1 60 60 ALA HA H 60 4.094 4.094 4.556 -0.462 17950 3185 1 9 . 1 1 60 60 ALA C C 60 177.636 177.636 177.754 -0.118 17950 3186 1 9 . 1 1 60 60 ALA CA C 60 52.909 52.909 53.300 -0.391 17950 3187 1 9 . 1 1 60 60 ALA CB C 60 18.757 18.757 19.207 -0.450 17950 3188 1 9 . 1 1 60 60 ALA H H 60 7.939 7.939 8.523 -0.584 17950 3189 1 9 . 1 1 61 61 LEU N N 61 119.572 119.572 114.360 5.212 17950 3190 1 9 . 1 1 61 61 LEU HA H 61 4.150 4.150 4.595 -0.445 17950 3191 1 9 . 1 1 61 61 LEU C C 61 177.260 177.260 177.134 0.126 17950 3192 1 9 . 1 1 61 61 LEU CA C 61 55.183 55.183 54.831 0.352 17950 3193 1 9 . 1 1 61 61 LEU CB C 61 41.901 41.901 42.131 -0.230 17950 3194 1 9 . 1 1 61 61 LEU H H 61 7.812 7.812 7.694 0.118 17950 3195 1 9 . 1 1 62 62 TRP N N 62 120.635 120.635 122.394 -1.759 17950 3196 1 9 . 1 1 62 62 TRP HA H 62 4.617 4.617 4.483 0.134 17950 3197 1 9 . 1 1 62 62 TRP C C 62 176.752 176.752 177.171 -0.419 17950 3198 1 9 . 1 1 62 62 TRP CA C 62 57.262 57.262 58.939 -1.677 17950 3199 1 9 . 1 1 62 62 TRP CB C 62 29.579 29.579 28.678 0.901 17950 3200 1 9 . 1 1 62 62 TRP H H 62 7.851 7.851 7.833 0.018 17950 3201 1 9 . 1 1 63 63 GLY N N 63 110.695 110.695 113.316 -2.621 17950 3202 1 9 . 1 1 63 63 GLY C C 63 173.238 173.238 173.785 -0.547 17950 3203 1 9 . 1 1 63 63 GLY CA C 63 45.357 45.357 44.760 0.597 17950 3204 1 9 . 1 1 63 63 GLY H H 63 8.132 8.132 8.326 -0.194 17950 3205 1 10 . 1 1 2 2 GLY N N 2 110.542 110.542 110.740 -0.198 17950 3206 1 10 . 1 1 2 2 GLY C C 2 173.237 173.237 172.730 0.507 17950 3207 1 10 . 1 1 2 2 GLY CA C 2 44.918 44.918 44.656 0.262 17950 3208 1 10 . 1 1 2 2 GLY H H 2 8.335 8.335 8.262 0.073 17950 3209 1 10 . 1 1 3 3 ALA N N 3 124.917 124.917 124.409 0.508 17950 3210 1 10 . 1 1 3 3 ALA HA H 3 4.513 4.513 4.738 -0.225 17950 3211 1 10 . 1 1 3 3 ALA CA C 3 50.370 50.370 50.349 0.021 17950 3212 1 10 . 1 1 3 3 ALA CB C 3 18.052 18.052 20.308 -2.256 17950 3213 1 10 . 1 1 3 3 ALA H H 3 8.069 8.069 8.256 -0.187 17950 3214 1 10 . 1 1 4 4 PRO HA H 4 4.341 4.341 4.426 -0.085 17950 3215 1 10 . 1 1 4 4 PRO C C 4 177.068 177.068 176.693 0.375 17950 3216 1 10 . 1 1 4 4 PRO CA C 4 63.007 63.007 63.551 -0.544 17950 3217 1 10 . 1 1 4 4 PRO CB C 4 32.015 32.015 31.938 0.077 17950 3218 1 10 . 1 1 5 5 LYS N N 5 121.494 121.494 120.723 0.771 17950 3219 1 10 . 1 1 5 5 LYS HA H 5 4.180 4.180 4.386 -0.206 17950 3220 1 10 . 1 1 5 5 LYS C C 5 176.697 176.697 176.487 0.210 17950 3221 1 10 . 1 1 5 5 LYS CA C 5 56.140 56.140 55.891 0.249 17950 3222 1 10 . 1 1 5 5 LYS CB C 5 32.871 32.871 30.931 1.940 17950 3223 1 10 . 1 1 5 5 LYS H H 5 8.376 8.376 8.238 0.138 17950 3224 1 10 . 1 1 6 6 GLN N N 6 121.572 121.572 125.480 -3.908 17950 3225 1 10 . 1 1 6 6 GLN HA H 6 4.230 4.230 4.273 -0.043 17950 3226 1 10 . 1 1 6 6 GLN C C 6 176.847 176.847 175.258 1.589 17950 3227 1 10 . 1 1 6 6 GLN CA C 6 55.634 55.634 55.247 0.387 17950 3228 1 10 . 1 1 6 6 GLN CB C 6 29.290 29.290 28.030 1.260 17950 3229 1 10 . 1 1 6 6 GLN H H 6 8.438 8.438 8.742 -0.304 17950 3230 1 10 . 1 1 7 7 LYS N N 7 125.757 125.757 121.578 4.179 17950 3231 1 10 . 1 1 7 7 LYS HA H 7 4.259 4.259 3.857 0.402 17950 3232 1 10 . 1 1 7 7 LYS C C 7 176.770 176.770 174.523 2.247 17950 3233 1 10 . 1 1 7 7 LYS CA C 7 56.899 56.899 57.131 -0.232 17950 3234 1 10 . 1 1 7 7 LYS CB C 7 32.782 32.782 31.959 0.823 17950 3235 1 10 . 1 1 7 7 LYS H H 7 8.500 8.500 8.437 0.063 17950 3236 1 10 . 1 1 8 8 TRP N N 8 125.581 125.581 117.741 7.840 17950 3237 1 10 . 1 1 8 8 TRP HA H 8 4.504 4.504 4.854 -0.350 17950 3238 1 10 . 1 1 8 8 TRP C C 8 177.459 177.459 176.211 1.248 17950 3239 1 10 . 1 1 8 8 TRP CA C 8 57.777 57.777 55.180 2.597 17950 3240 1 10 . 1 1 8 8 TRP CB C 8 28.836 28.836 31.425 -2.589 17950 3241 1 10 . 1 1 8 8 TRP H H 8 8.959 8.959 7.772 1.187 17950 3242 1 10 . 1 1 9 9 THR N N 9 115.986 115.986 114.335 1.651 17950 3243 1 10 . 1 1 9 9 THR HA H 9 4.759 4.759 4.988 -0.229 17950 3244 1 10 . 1 1 9 9 THR CA C 9 59.565 59.565 58.558 1.007 17950 3245 1 10 . 1 1 9 9 THR CB C 9 68.786 68.786 69.124 -0.338 17950 3246 1 10 . 1 1 9 9 THR H H 9 9.105 9.105 8.666 0.439 17950 3247 1 10 . 1 1 10 10 PRO HA H 10 4.369 4.369 4.457 -0.088 17950 3248 1 10 . 1 1 10 10 PRO C C 10 180.115 180.115 178.790 1.325 17950 3249 1 10 . 1 1 10 10 PRO CA C 10 65.387 65.387 65.058 0.329 17950 3250 1 10 . 1 1 10 10 PRO CB C 10 31.739 31.739 32.183 -0.444 17950 3251 1 10 . 1 1 11 11 GLU N N 11 118.329 118.329 118.948 -0.619 17950 3252 1 10 . 1 1 11 11 GLU HA H 11 4.065 4.065 4.063 0.002 17950 3253 1 10 . 1 1 11 11 GLU C C 11 180.122 180.122 178.884 1.238 17950 3254 1 10 . 1 1 11 11 GLU CA C 11 60.640 60.640 60.100 0.540 17950 3255 1 10 . 1 1 11 11 GLU CB C 11 28.680 28.680 29.220 -0.540 17950 3256 1 10 . 1 1 11 11 GLU H H 11 9.009 9.009 9.077 -0.068 17950 3257 1 10 . 1 1 12 12 GLU N N 12 121.178 121.178 118.562 2.616 17950 3258 1 10 . 1 1 12 12 GLU HA H 12 3.857 3.857 3.944 -0.087 17950 3259 1 10 . 1 1 12 12 GLU C C 12 179.021 179.021 178.870 0.151 17950 3260 1 10 . 1 1 12 12 GLU CA C 12 59.900 59.900 59.644 0.257 17950 3261 1 10 . 1 1 12 12 GLU CB C 12 32.276 32.276 29.361 2.915 17950 3262 1 10 . 1 1 12 12 GLU H H 12 7.952 7.952 7.890 0.062 17950 3263 1 10 . 1 1 13 13 GLU N N 13 118.771 118.771 120.079 -1.308 17950 3264 1 10 . 1 1 13 13 GLU HA H 13 3.928 3.928 3.954 -0.026 17950 3265 1 10 . 1 1 13 13 GLU C C 13 178.499 178.499 178.952 -0.453 17950 3266 1 10 . 1 1 13 13 GLU CA C 13 61.052 61.052 59.345 1.707 17950 3267 1 10 . 1 1 13 13 GLU CB C 13 29.552 29.552 29.417 0.135 17950 3268 1 10 . 1 1 13 13 GLU H H 13 8.446 8.446 7.578 0.868 17950 3269 1 10 . 1 1 14 14 ALA N N 14 120.274 120.274 121.341 -1.067 17950 3270 1 10 . 1 1 14 14 ALA HA H 14 4.095 4.095 4.030 0.065 17950 3271 1 10 . 1 1 14 14 ALA C C 14 180.719 180.719 179.541 1.178 17950 3272 1 10 . 1 1 14 14 ALA CA C 14 55.053 55.053 54.996 0.057 17950 3273 1 10 . 1 1 14 14 ALA CB C 14 18.019 18.019 18.095 -0.076 17950 3274 1 10 . 1 1 14 14 ALA H H 14 8.434 8.434 8.285 0.149 17950 3275 1 10 . 1 1 15 15 ALA N N 15 122.356 122.356 121.700 0.656 17950 3276 1 10 . 1 1 15 15 ALA HA H 15 4.381 4.381 3.527 0.854 17950 3277 1 10 . 1 1 15 15 ALA C C 15 178.553 178.553 179.092 -0.539 17950 3278 1 10 . 1 1 15 15 ALA CA C 15 54.786 54.786 54.874 -0.088 17950 3279 1 10 . 1 1 15 15 ALA CB C 15 18.779 18.779 18.374 0.405 17950 3280 1 10 . 1 1 15 15 ALA H H 15 7.900 7.900 7.876 0.024 17950 3281 1 10 . 1 1 16 16 LEU N N 16 118.626 118.626 119.320 -0.694 17950 3282 1 10 . 1 1 16 16 LEU HA H 16 3.921 3.921 3.881 0.040 17950 3283 1 10 . 1 1 16 16 LEU C C 16 177.536 177.536 178.693 -1.157 17950 3284 1 10 . 1 1 16 16 LEU CA C 16 58.384 58.384 58.068 0.316 17950 3285 1 10 . 1 1 16 16 LEU CB C 16 42.189 42.189 42.090 0.099 17950 3286 1 10 . 1 1 16 16 LEU H H 16 8.182 8.182 8.140 0.042 17950 3287 1 10 . 1 1 17 17 LYS N N 17 117.009 117.009 119.089 -2.080 17950 3288 1 10 . 1 1 17 17 LYS HA H 17 3.906 3.906 3.883 0.023 17950 3289 1 10 . 1 1 17 17 LYS C C 17 178.796 178.796 178.805 -0.009 17950 3290 1 10 . 1 1 17 17 LYS CA C 17 60.496 60.496 59.749 0.747 17950 3291 1 10 . 1 1 17 17 LYS CB C 17 32.720 32.720 31.925 0.795 17950 3292 1 10 . 1 1 17 17 LYS H H 17 8.029 8.029 8.407 -0.378 17950 3293 1 10 . 1 1 18 18 ALA N N 18 121.422 121.422 120.761 0.661 17950 3294 1 10 . 1 1 18 18 ALA HA H 18 4.021 4.021 4.038 -0.017 17950 3295 1 10 . 1 1 18 18 ALA C C 18 180.627 180.627 179.726 0.901 17950 3296 1 10 . 1 1 18 18 ALA CA C 18 54.752 54.752 55.014 -0.263 17950 3297 1 10 . 1 1 18 18 ALA CB C 18 18.405 18.405 18.009 0.396 17950 3298 1 10 . 1 1 18 18 ALA H H 18 8.174 8.174 8.117 0.057 17950 3299 1 10 . 1 1 19 19 GLY N N 19 110.862 110.862 106.583 4.279 17950 3300 1 10 . 1 1 19 19 GLY C C 19 174.803 174.803 176.045 -1.242 17950 3301 1 10 . 1 1 19 19 GLY CA C 19 47.190 47.190 46.830 0.360 17950 3302 1 10 . 1 1 19 19 GLY H H 19 8.503 8.503 7.609 0.894 17950 3303 1 10 . 1 1 20 20 VAL N N 20 123.677 123.677 122.849 0.828 17950 3304 1 10 . 1 1 20 20 VAL HA H 20 3.166 3.166 3.819 -0.653 17950 3305 1 10 . 1 1 20 20 VAL C C 20 179.632 179.632 177.602 2.030 17950 3306 1 10 . 1 1 20 20 VAL CA C 20 65.603 65.603 66.147 -0.544 17950 3307 1 10 . 1 1 20 20 VAL CB C 20 30.946 30.946 31.994 -1.048 17950 3308 1 10 . 1 1 20 20 VAL H H 20 8.106 8.106 7.666 0.440 17950 3309 1 10 . 1 1 21 21 LEU N N 21 122.348 122.348 117.969 4.379 17950 3310 1 10 . 1 1 21 21 LEU HA H 21 3.894 3.894 4.082 -0.188 17950 3311 1 10 . 1 1 21 21 LEU C C 21 178.085 178.085 178.530 -0.445 17950 3312 1 10 . 1 1 21 21 LEU CA C 21 58.028 58.028 57.174 0.854 17950 3313 1 10 . 1 1 21 21 LEU CB C 21 41.401 41.401 41.881 -0.480 17950 3314 1 10 . 1 1 21 21 LEU H H 21 7.817 7.817 7.459 0.358 17950 3315 1 10 . 1 1 22 22 LYS N N 22 117.663 117.663 118.499 -0.836 17950 3316 1 10 . 1 1 22 22 LYS HA H 22 3.837 3.837 4.023 -0.186 17950 3317 1 10 . 1 1 22 22 LYS C C 22 177.740 177.740 178.542 -0.802 17950 3318 1 10 . 1 1 22 22 LYS CA C 22 59.206 59.206 58.772 0.434 17950 3319 1 10 . 1 1 22 22 LYS CB C 22 35.176 35.176 32.460 2.716 17950 3320 1 10 . 1 1 22 22 LYS H H 22 7.520 7.520 8.041 -0.521 17950 3321 1 10 . 1 1 23 23 HIS N N 23 113.904 113.904 114.184 -0.280 17950 3322 1 10 . 1 1 23 23 HIS HA H 23 4.625 4.625 4.627 -0.002 17950 3323 1 10 . 1 1 23 23 HIS C C 23 176.122 176.122 175.415 0.707 17950 3324 1 10 . 1 1 23 23 HIS CA C 23 57.211 57.211 56.725 0.486 17950 3325 1 10 . 1 1 23 23 HIS CB C 23 33.414 33.414 32.184 1.230 17950 3326 1 10 . 1 1 23 23 HIS H H 23 8.311 8.311 7.860 0.451 17950 3327 1 10 . 1 1 24 24 GLY N N 24 110.098 110.098 106.307 3.791 17950 3328 1 10 . 1 1 24 24 GLY C C 24 173.041 173.041 172.481 0.560 17950 3329 1 10 . 1 1 24 24 GLY CA C 24 43.563 43.563 44.851 -1.288 17950 3330 1 10 . 1 1 24 24 GLY H H 24 8.158 8.158 7.534 0.624 17950 3331 1 10 . 1 1 25 25 THR N N 25 108.590 108.590 111.271 -2.681 17950 3332 1 10 . 1 1 25 25 THR HA H 25 3.123 3.123 4.108 -0.985 17950 3333 1 10 . 1 1 25 25 THR C C 25 174.866 174.866 174.923 -0.057 17950 3334 1 10 . 1 1 25 25 THR CA C 25 61.992 61.992 62.116 -0.124 17950 3335 1 10 . 1 1 25 25 THR CB C 25 69.110 69.110 70.083 -0.973 17950 3336 1 10 . 1 1 25 25 THR H H 25 7.826 7.826 8.350 -0.524 17950 3337 1 10 . 1 1 26 26 GLY N N 26 106.794 106.794 109.855 -3.061 17950 3338 1 10 . 1 1 26 26 GLY C C 26 173.988 173.988 174.841 -0.853 17950 3339 1 10 . 1 1 26 26 GLY CA C 26 45.639 45.639 44.582 1.057 17950 3340 1 10 . 1 1 26 26 GLY H H 26 5.553 5.553 7.034 -1.481 17950 3341 1 10 . 1 1 27 27 LYS N N 27 122.617 122.617 121.379 1.238 17950 3342 1 10 . 1 1 27 27 LYS HA H 27 4.499 4.499 4.136 0.363 17950 3343 1 10 . 1 1 27 27 LYS C C 27 176.586 176.586 176.467 0.119 17950 3344 1 10 . 1 1 27 27 LYS CA C 27 53.590 53.590 54.181 -0.591 17950 3345 1 10 . 1 1 27 27 LYS CB C 27 30.298 30.298 29.916 0.382 17950 3346 1 10 . 1 1 27 27 LYS H H 27 7.025 7.025 7.764 -0.739 17950 3347 1 10 . 1 1 28 28 TRP N N 28 119.816 119.816 119.899 -0.083 17950 3348 1 10 . 1 1 28 28 TRP HA H 28 4.130 4.130 4.210 -0.080 17950 3349 1 10 . 1 1 28 28 TRP C C 28 178.012 178.012 177.379 0.633 17950 3350 1 10 . 1 1 28 28 TRP CA C 28 58.414 58.414 59.974 -1.560 17950 3351 1 10 . 1 1 28 28 TRP CB C 28 30.008 30.008 28.322 1.687 17950 3352 1 10 . 1 1 28 28 TRP H H 28 6.384 6.384 7.251 -0.867 17950 3353 1 10 . 1 1 29 29 ARG N N 29 115.616 115.616 120.062 -4.446 17950 3354 1 10 . 1 1 29 29 ARG HA H 29 3.963 3.963 4.029 -0.066 17950 3355 1 10 . 1 1 29 29 ARG C C 29 178.821 178.821 177.795 1.026 17950 3356 1 10 . 1 1 29 29 ARG CA C 29 59.381 59.381 59.282 0.099 17950 3357 1 10 . 1 1 29 29 ARG CB C 29 29.366 29.366 29.624 -0.258 17950 3358 1 10 . 1 1 29 29 ARG H H 29 8.465 8.465 7.293 1.172 17950 3359 1 10 . 1 1 30 30 THR N N 30 118.439 118.439 116.657 1.782 17950 3360 1 10 . 1 1 30 30 THR HA H 30 3.594 3.594 3.822 -0.228 17950 3361 1 10 . 1 1 30 30 THR C C 30 176.351 176.351 176.909 -0.558 17950 3362 1 10 . 1 1 30 30 THR CA C 30 66.347 66.347 66.715 -0.367 17950 3363 1 10 . 1 1 30 30 THR CB C 30 68.157 68.157 68.344 -0.187 17950 3364 1 10 . 1 1 30 30 THR H H 30 7.451 7.451 7.662 -0.211 17950 3365 1 10 . 1 1 31 31 ILE N N 31 121.530 121.530 120.437 1.093 17950 3366 1 10 . 1 1 31 31 ILE HA H 31 3.403 3.403 3.741 -0.338 17950 3367 1 10 . 1 1 31 31 ILE C C 31 176.326 176.326 176.956 -0.630 17950 3368 1 10 . 1 1 31 31 ILE CA C 31 66.885 66.885 65.205 1.680 17950 3369 1 10 . 1 1 31 31 ILE CB C 31 38.320 38.320 37.862 0.458 17950 3370 1 10 . 1 1 31 31 ILE H H 31 7.551 7.551 8.181 -0.630 17950 3371 1 10 . 1 1 32 32 LEU N N 32 113.721 113.721 118.052 -4.331 17950 3372 1 10 . 1 1 32 32 LEU HA H 32 3.871 3.871 4.157 -0.286 17950 3373 1 10 . 1 1 32 32 LEU C C 32 177.633 177.633 177.742 -0.109 17950 3374 1 10 . 1 1 32 32 LEU CA C 32 56.846 56.846 56.814 0.032 17950 3375 1 10 . 1 1 32 32 LEU CB C 32 42.246 42.246 41.878 0.368 17950 3376 1 10 . 1 1 32 32 LEU H H 32 7.317 7.317 7.578 -0.261 17950 3377 1 10 . 1 1 33 33 SER N N 33 110.515 110.515 112.312 -1.797 17950 3378 1 10 . 1 1 33 33 SER HA H 33 4.442 4.442 4.415 0.027 17950 3379 1 10 . 1 1 33 33 SER C C 33 173.479 173.479 174.342 -0.863 17950 3380 1 10 . 1 1 33 33 SER CA C 33 58.210 58.210 59.949 -1.739 17950 3381 1 10 . 1 1 33 33 SER CB C 33 64.194 64.194 63.965 0.229 17950 3382 1 10 . 1 1 33 33 SER H H 33 7.389 7.389 7.697 -0.308 17950 3383 1 10 . 1 1 34 34 ASP N N 34 125.920 125.920 122.384 3.536 17950 3384 1 10 . 1 1 34 34 ASP HA H 34 4.617 4.617 4.508 0.109 17950 3385 1 10 . 1 1 34 34 ASP C C 34 178.020 178.020 177.256 0.764 17950 3386 1 10 . 1 1 34 34 ASP CA C 34 53.652 53.652 53.897 -0.245 17950 3387 1 10 . 1 1 34 34 ASP CB C 34 42.056 42.056 40.653 1.403 17950 3388 1 10 . 1 1 34 34 ASP H H 34 7.426 7.426 7.992 -0.566 17950 3389 1 10 . 1 1 35 35 THR N N 35 122.180 122.180 123.179 -0.999 17950 3390 1 10 . 1 1 35 35 THR HA H 35 4.223 4.223 3.972 0.251 17950 3391 1 10 . 1 1 35 35 THR C C 35 175.997 175.997 175.991 0.006 17950 3392 1 10 . 1 1 35 35 THR CA C 35 64.686 64.686 65.344 -0.658 17950 3393 1 10 . 1 1 35 35 THR CB C 35 68.728 68.728 68.665 0.063 17950 3394 1 10 . 1 1 35 35 THR H H 35 8.689 8.689 8.468 0.221 17950 3395 1 10 . 1 1 36 36 GLU N N 36 122.403 122.403 120.498 1.905 17950 3396 1 10 . 1 1 36 36 GLU HA H 36 3.698 3.698 3.892 -0.194 17950 3397 1 10 . 1 1 36 36 GLU C C 36 177.497 177.497 176.833 0.664 17950 3398 1 10 . 1 1 36 36 GLU CA C 36 59.317 59.317 58.517 0.800 17950 3399 1 10 . 1 1 36 36 GLU CB C 36 29.107 29.107 29.280 -0.173 17950 3400 1 10 . 1 1 36 36 GLU H H 36 8.818 8.818 7.705 1.113 17950 3401 1 10 . 1 1 37 37 PHE N N 37 114.348 114.348 114.642 -0.294 17950 3402 1 10 . 1 1 37 37 PHE HA H 37 4.857 4.857 4.907 -0.050 17950 3403 1 10 . 1 1 37 37 PHE C C 37 177.191 177.191 175.204 1.987 17950 3404 1 10 . 1 1 37 37 PHE CA C 37 56.463 56.463 56.615 -0.152 17950 3405 1 10 . 1 1 37 37 PHE CB C 37 41.086 41.086 39.656 1.430 17950 3406 1 10 . 1 1 37 37 PHE H H 37 7.477 7.477 7.996 -0.519 17950 3407 1 10 . 1 1 38 38 SER N N 38 114.722 114.722 117.481 -2.759 17950 3408 1 10 . 1 1 38 38 SER HA H 38 3.822 3.822 4.436 -0.614 17950 3409 1 10 . 1 1 38 38 SER C C 38 176.516 176.516 175.647 0.869 17950 3410 1 10 . 1 1 38 38 SER CA C 38 61.996 61.996 60.740 1.256 17950 3411 1 10 . 1 1 38 38 SER CB C 38 62.761 62.761 63.870 -1.109 17950 3412 1 10 . 1 1 38 38 SER H H 38 8.546 8.546 7.639 0.907 17950 3413 1 10 . 1 1 39 39 LEU N N 39 121.277 121.277 120.645 0.632 17950 3414 1 10 . 1 1 39 39 LEU HA H 39 4.213 4.213 4.179 0.034 17950 3415 1 10 . 1 1 39 39 LEU C C 39 179.777 179.777 178.879 0.898 17950 3416 1 10 . 1 1 39 39 LEU CA C 39 57.171 57.171 57.019 0.152 17950 3417 1 10 . 1 1 39 39 LEU CB C 39 41.340 41.340 42.192 -0.852 17950 3418 1 10 . 1 1 39 39 LEU H H 39 8.115 8.115 7.475 0.640 17950 3419 1 10 . 1 1 40 40 ILE N N 40 120.137 120.137 116.799 3.338 17950 3420 1 10 . 1 1 40 40 ILE HA H 40 3.701 3.701 4.062 -0.361 17950 3421 1 10 . 1 1 40 40 ILE C C 40 178.413 178.413 176.615 1.798 17950 3422 1 10 . 1 1 40 40 ILE CA C 40 63.624 63.624 63.675 -0.050 17950 3423 1 10 . 1 1 40 40 ILE CB C 40 38.778 38.778 38.234 0.544 17950 3424 1 10 . 1 1 40 40 ILE H H 40 7.525 7.525 7.837 -0.312 17950 3425 1 10 . 1 1 41 41 LEU N N 41 117.023 117.023 116.503 0.520 17950 3426 1 10 . 1 1 41 41 LEU HA H 41 4.406 4.406 4.702 -0.296 17950 3427 1 10 . 1 1 41 41 LEU C C 41 176.196 176.196 175.906 0.290 17950 3428 1 10 . 1 1 41 41 LEU CA C 41 54.256 54.256 53.398 0.858 17950 3429 1 10 . 1 1 41 41 LEU CB C 41 41.891 41.891 41.168 0.723 17950 3430 1 10 . 1 1 41 41 LEU H H 41 7.608 7.608 7.558 0.050 17950 3431 1 10 . 1 1 42 42 LYS N N 42 116.369 116.369 118.278 -1.909 17950 3432 1 10 . 1 1 42 42 LYS HA H 42 4.050 4.050 4.207 -0.158 17950 3433 1 10 . 1 1 42 42 LYS C C 42 177.139 177.139 177.591 -0.452 17950 3434 1 10 . 1 1 42 42 LYS CA C 42 59.111 59.111 57.723 1.388 17950 3435 1 10 . 1 1 42 42 LYS CB C 42 32.553 32.553 32.113 0.440 17950 3436 1 10 . 1 1 42 42 LYS H H 42 6.645 6.645 7.442 -0.797 17950 3437 1 10 . 1 1 43 43 SER N N 43 115.061 115.061 114.343 0.718 17950 3438 1 10 . 1 1 43 43 SER HA H 43 4.407 4.407 4.448 -0.041 17950 3439 1 10 . 1 1 43 43 SER C C 43 173.754 173.754 174.577 -0.823 17950 3440 1 10 . 1 1 43 43 SER CA C 43 58.850 58.850 60.309 -1.459 17950 3441 1 10 . 1 1 43 43 SER CB C 43 63.117 63.117 63.429 -0.312 17950 3442 1 10 . 1 1 43 43 SER H H 43 8.443 8.443 8.476 -0.033 17950 3443 1 10 . 1 1 44 44 ARG N N 44 119.658 119.658 119.325 0.333 17950 3444 1 10 . 1 1 44 44 ARG HA H 44 4.674 4.674 4.558 0.116 17950 3445 1 10 . 1 1 44 44 ARG C C 44 174.410 174.410 174.795 -0.385 17950 3446 1 10 . 1 1 44 44 ARG CA C 44 52.244 52.244 54.856 -2.612 17950 3447 1 10 . 1 1 44 44 ARG CB C 44 31.309 31.309 32.282 -0.973 17950 3448 1 10 . 1 1 44 44 ARG H H 44 8.036 8.036 7.740 0.296 17950 3449 1 10 . 1 1 45 45 SER N N 45 116.676 116.676 113.818 2.858 17950 3450 1 10 . 1 1 45 45 SER HA H 45 4.764 4.764 4.835 -0.071 17950 3451 1 10 . 1 1 45 45 SER C C 45 175.294 175.294 175.475 -0.181 17950 3452 1 10 . 1 1 45 45 SER CA C 45 55.857 55.857 56.788 -0.932 17950 3453 1 10 . 1 1 45 45 SER CB C 45 66.828 66.828 66.119 0.709 17950 3454 1 10 . 1 1 45 45 SER H H 45 9.180 9.180 8.165 1.015 17950 3455 1 10 . 1 1 46 46 ASN N N 46 118.004 118.004 120.375 -2.371 17950 3456 1 10 . 1 1 46 46 ASN HA H 46 3.954 3.954 4.515 -0.561 17950 3457 1 10 . 1 1 46 46 ASN C C 46 176.356 176.356 177.288 -0.932 17950 3458 1 10 . 1 1 46 46 ASN CA C 46 57.734 57.734 55.938 1.796 17950 3459 1 10 . 1 1 46 46 ASN CB C 46 36.901 36.901 37.994 -1.093 17950 3460 1 10 . 1 1 46 46 ASN H H 46 9.005 9.005 8.807 0.198 17950 3461 1 10 . 1 1 47 47 VAL N N 47 119.294 119.294 119.097 0.197 17950 3462 1 10 . 1 1 47 47 VAL HA H 47 3.422 3.422 3.487 -0.065 17950 3463 1 10 . 1 1 47 47 VAL C C 47 176.899 176.899 177.029 -0.130 17950 3464 1 10 . 1 1 47 47 VAL CA C 47 65.439 65.439 65.522 -0.083 17950 3465 1 10 . 1 1 47 47 VAL CB C 47 31.863 31.863 31.558 0.305 17950 3466 1 10 . 1 1 47 47 VAL H H 47 7.329 7.329 8.012 -0.683 17950 3467 1 10 . 1 1 48 48 ASP N N 48 120.297 120.297 120.178 0.119 17950 3468 1 10 . 1 1 48 48 ASP HA H 48 4.358 4.358 4.429 -0.071 17950 3469 1 10 . 1 1 48 48 ASP C C 48 179.879 179.879 178.872 1.007 17950 3470 1 10 . 1 1 48 48 ASP CA C 48 57.162 57.162 57.525 -0.363 17950 3471 1 10 . 1 1 48 48 ASP CB C 48 41.040 41.040 40.732 0.308 17950 3472 1 10 . 1 1 48 48 ASP H H 48 7.597 7.597 7.821 -0.224 17950 3473 1 10 . 1 1 49 49 LEU N N 49 119.624 119.624 120.058 -0.434 17950 3474 1 10 . 1 1 49 49 LEU HA H 49 3.824 3.824 4.163 -0.339 17950 3475 1 10 . 1 1 49 49 LEU C C 49 176.207 176.207 179.084 -2.877 17950 3476 1 10 . 1 1 49 49 LEU CA C 49 59.202 59.202 57.786 1.416 17950 3477 1 10 . 1 1 49 49 LEU CB C 49 41.113 41.113 41.457 -0.344 17950 3478 1 10 . 1 1 49 49 LEU H H 49 7.835 7.835 7.503 0.332 17950 3479 1 10 . 1 1 50 50 LYS N N 50 119.306 119.306 120.174 -0.868 17950 3480 1 10 . 1 1 50 50 LYS HA H 50 2.427 2.427 4.251 -1.824 17950 3481 1 10 . 1 1 50 50 LYS C C 50 178.745 178.745 178.561 0.184 17950 3482 1 10 . 1 1 50 50 LYS CA C 50 59.310 59.310 59.877 -0.567 17950 3483 1 10 . 1 1 50 50 LYS CB C 50 31.906 31.906 32.295 -0.389 17950 3484 1 10 . 1 1 50 50 LYS H H 50 6.788 6.788 8.089 -1.301 17950 3485 1 10 . 1 1 51 51 ASP N N 51 118.721 118.721 120.366 -1.645 17950 3486 1 10 . 1 1 51 51 ASP HA H 51 4.167 4.167 4.364 -0.197 17950 3487 1 10 . 1 1 51 51 ASP C C 51 178.461 178.461 178.635 -0.174 17950 3488 1 10 . 1 1 51 51 ASP CA C 51 56.852 56.852 57.228 -0.376 17950 3489 1 10 . 1 1 51 51 ASP CB C 51 40.475 40.475 40.672 -0.197 17950 3490 1 10 . 1 1 51 51 ASP H H 51 8.203 8.203 8.224 -0.021 17950 3491 1 10 . 1 1 52 52 LYS N N 52 121.009 121.009 119.488 1.521 17950 3492 1 10 . 1 1 52 52 LYS HA H 52 3.776 3.776 3.965 -0.189 17950 3493 1 10 . 1 1 52 52 LYS C C 52 178.328 178.328 178.888 -0.560 17950 3494 1 10 . 1 1 52 52 LYS CA C 52 56.841 56.841 59.425 -2.584 17950 3495 1 10 . 1 1 52 52 LYS CB C 52 31.473 31.473 32.198 -0.725 17950 3496 1 10 . 1 1 52 52 LYS H H 52 7.842 7.842 7.916 -0.074 17950 3497 1 10 . 1 1 53 53 TRP N N 53 119.577 119.577 120.511 -0.934 17950 3498 1 10 . 1 1 53 53 TRP HA H 53 4.121 4.121 4.270 -0.149 17950 3499 1 10 . 1 1 53 53 TRP C C 53 178.056 178.056 178.224 -0.168 17950 3500 1 10 . 1 1 53 53 TRP CA C 53 59.505 59.505 60.692 -1.187 17950 3501 1 10 . 1 1 53 53 TRP CB C 53 30.004 30.004 29.445 0.559 17950 3502 1 10 . 1 1 53 53 TRP H H 53 8.469 8.469 7.758 0.711 17950 3503 1 10 . 1 1 54 54 ARG N N 54 117.607 117.607 118.555 -0.948 17950 3504 1 10 . 1 1 54 54 ARG HA H 54 3.721 3.721 3.473 0.248 17950 3505 1 10 . 1 1 54 54 ARG C C 54 177.399 177.399 177.978 -0.579 17950 3506 1 10 . 1 1 54 54 ARG CA C 54 59.030 59.030 59.262 -0.232 17950 3507 1 10 . 1 1 54 54 ARG CB C 54 29.401 29.401 29.774 -0.373 17950 3508 1 10 . 1 1 54 54 ARG H H 54 7.527 7.527 8.363 -0.836 17950 3509 1 10 . 1 1 55 55 ASN N N 55 115.552 115.552 117.899 -2.347 17950 3510 1 10 . 1 1 55 55 ASN HA H 55 4.387 4.387 4.508 -0.121 17950 3511 1 10 . 1 1 55 55 ASN C C 55 176.869 176.869 177.712 -0.843 17950 3512 1 10 . 1 1 55 55 ASN CA C 55 55.320 55.320 55.717 -0.397 17950 3513 1 10 . 1 1 55 55 ASN CB C 55 39.679 39.679 38.352 1.327 17950 3514 1 10 . 1 1 55 55 ASN H H 55 7.242 7.242 7.806 -0.564 17950 3515 1 10 . 1 1 56 56 ILE N N 56 117.285 117.285 118.686 -1.401 17950 3516 1 10 . 1 1 56 56 ILE HA H 56 3.768 3.768 3.934 -0.166 17950 3517 1 10 . 1 1 56 56 ILE C C 56 176.781 176.781 176.218 0.563 17950 3518 1 10 . 1 1 56 56 ILE CA C 56 62.932 62.932 63.563 -0.631 17950 3519 1 10 . 1 1 56 56 ILE CB C 56 38.341 38.341 38.079 0.262 17950 3520 1 10 . 1 1 56 56 ILE H H 56 7.760 7.760 7.464 0.296 17950 3521 1 10 . 1 1 57 57 SER N N 57 116.184 116.184 114.366 1.818 17950 3522 1 10 . 1 1 57 57 SER HA H 57 3.676 3.676 4.271 -0.595 17950 3523 1 10 . 1 1 57 57 SER C C 57 174.964 174.964 176.715 -1.751 17950 3524 1 10 . 1 1 57 57 SER CA C 57 59.435 59.435 60.596 -1.161 17950 3525 1 10 . 1 1 57 57 SER CB C 57 63.062 63.062 63.955 -0.893 17950 3526 1 10 . 1 1 57 57 SER H H 57 7.635 7.635 7.307 0.328 17950 3527 1 10 . 1 1 58 58 VAL N N 58 119.671 119.671 121.717 -2.046 17950 3528 1 10 . 1 1 58 58 VAL HA H 58 3.959 3.959 3.740 0.219 17950 3529 1 10 . 1 1 58 58 VAL C C 58 176.787 176.787 175.529 1.258 17950 3530 1 10 . 1 1 58 58 VAL CA C 58 63.249 63.249 65.237 -1.988 17950 3531 1 10 . 1 1 58 58 VAL CB C 58 31.964 31.964 32.195 -0.231 17950 3532 1 10 . 1 1 58 58 VAL H H 58 7.454 7.454 8.041 -0.587 17950 3533 1 10 . 1 1 59 59 THR N N 59 114.912 114.912 110.556 4.356 17950 3534 1 10 . 1 1 59 59 THR HA H 59 3.924 3.924 4.422 -0.498 17950 3535 1 10 . 1 1 59 59 THR C C 59 174.839 174.839 174.378 0.461 17950 3536 1 10 . 1 1 59 59 THR CA C 59 62.616 62.616 60.906 1.710 17950 3537 1 10 . 1 1 59 59 THR CB C 59 69.358 69.358 68.262 1.096 17950 3538 1 10 . 1 1 59 59 THR H H 59 7.681 7.681 7.508 0.173 17950 3539 1 10 . 1 1 60 60 ALA N N 60 124.969 124.969 125.117 -0.148 17950 3540 1 10 . 1 1 60 60 ALA HA H 60 4.094 4.094 4.379 -0.285 17950 3541 1 10 . 1 1 60 60 ALA C C 60 177.636 177.636 178.337 -0.701 17950 3542 1 10 . 1 1 60 60 ALA CA C 60 52.909 52.909 53.867 -0.958 17950 3543 1 10 . 1 1 60 60 ALA CB C 60 18.757 18.757 19.690 -0.933 17950 3544 1 10 . 1 1 60 60 ALA H H 60 7.939 7.939 7.984 -0.045 17950 3545 1 10 . 1 1 61 61 LEU N N 61 119.572 119.572 114.881 4.691 17950 3546 1 10 . 1 1 61 61 LEU HA H 61 4.150 4.150 4.250 -0.100 17950 3547 1 10 . 1 1 61 61 LEU C C 61 177.260 177.260 177.130 0.130 17950 3548 1 10 . 1 1 61 61 LEU CA C 61 55.183 55.183 56.069 -0.886 17950 3549 1 10 . 1 1 61 61 LEU CB C 61 41.901 41.901 41.989 -0.088 17950 3550 1 10 . 1 1 61 61 LEU H H 61 7.812 7.812 7.878 -0.066 17950 3551 1 10 . 1 1 62 62 TRP N N 62 120.635 120.635 119.657 0.978 17950 3552 1 10 . 1 1 62 62 TRP HA H 62 4.617 4.617 4.482 0.135 17950 3553 1 10 . 1 1 62 62 TRP C C 62 176.752 176.752 177.482 -0.730 17950 3554 1 10 . 1 1 62 62 TRP CA C 62 57.262 57.262 58.637 -1.375 17950 3555 1 10 . 1 1 62 62 TRP CB C 62 29.579 29.579 29.495 0.084 17950 3556 1 10 . 1 1 62 62 TRP H H 62 7.851 7.851 7.603 0.248 17950 3557 1 10 . 1 1 63 63 GLY N N 63 110.695 110.695 112.054 -1.359 17950 3558 1 10 . 1 1 63 63 GLY C C 63 173.238 173.238 174.565 -1.327 17950 3559 1 10 . 1 1 63 63 GLY CA C 63 45.357 45.357 45.417 -0.060 17950 3560 1 10 . 1 1 63 63 GLY H H 63 8.132 8.132 8.535 -0.403 17950 3561 1 11 . 1 1 2 2 GLY N N 2 110.542 110.542 110.012 0.530 17950 3562 1 11 . 1 1 2 2 GLY C C 2 173.237 173.237 172.680 0.557 17950 3563 1 11 . 1 1 2 2 GLY CA C 2 44.918 44.918 45.650 -0.732 17950 3564 1 11 . 1 1 2 2 GLY H H 2 8.335 8.335 8.475 -0.140 17950 3565 1 11 . 1 1 3 3 ALA N N 3 124.917 124.917 122.936 1.981 17950 3566 1 11 . 1 1 3 3 ALA HA H 3 4.513 4.513 4.634 -0.121 17950 3567 1 11 . 1 1 3 3 ALA CA C 3 50.370 50.370 50.666 -0.297 17950 3568 1 11 . 1 1 3 3 ALA CB C 3 18.052 18.052 19.300 -1.248 17950 3569 1 11 . 1 1 3 3 ALA H H 3 8.069 8.069 8.103 -0.034 17950 3570 1 11 . 1 1 4 4 PRO HA H 4 4.341 4.341 4.304 0.037 17950 3571 1 11 . 1 1 4 4 PRO C C 4 177.068 177.068 176.402 0.666 17950 3572 1 11 . 1 1 4 4 PRO CA C 4 63.007 63.007 63.121 -0.114 17950 3573 1 11 . 1 1 4 4 PRO CB C 4 32.015 32.015 32.019 -0.004 17950 3574 1 11 . 1 1 5 5 LYS N N 5 121.494 121.494 119.950 1.544 17950 3575 1 11 . 1 1 5 5 LYS HA H 5 4.180 4.180 4.228 -0.048 17950 3576 1 11 . 1 1 5 5 LYS C C 5 176.697 176.697 176.216 0.481 17950 3577 1 11 . 1 1 5 5 LYS CA C 5 56.140 56.140 56.294 -0.154 17950 3578 1 11 . 1 1 5 5 LYS CB C 5 32.871 32.871 30.281 2.590 17950 3579 1 11 . 1 1 5 5 LYS H H 5 8.376 8.376 8.257 0.119 17950 3580 1 11 . 1 1 6 6 GLN N N 6 121.572 121.572 123.484 -1.912 17950 3581 1 11 . 1 1 6 6 GLN HA H 6 4.230 4.230 4.331 -0.101 17950 3582 1 11 . 1 1 6 6 GLN C C 6 176.847 176.847 176.787 0.060 17950 3583 1 11 . 1 1 6 6 GLN CA C 6 55.634 55.634 57.678 -2.043 17950 3584 1 11 . 1 1 6 6 GLN CB C 6 29.290 29.290 29.547 -0.257 17950 3585 1 11 . 1 1 6 6 GLN H H 6 8.438 8.438 8.255 0.183 17950 3586 1 11 . 1 1 7 7 LYS N N 7 125.757 125.757 119.696 6.061 17950 3587 1 11 . 1 1 7 7 LYS HA H 7 4.259 4.259 4.444 -0.185 17950 3588 1 11 . 1 1 7 7 LYS C C 7 176.770 176.770 175.250 1.520 17950 3589 1 11 . 1 1 7 7 LYS CA C 7 56.899 56.899 56.605 0.294 17950 3590 1 11 . 1 1 7 7 LYS CB C 7 32.782 32.782 33.971 -1.189 17950 3591 1 11 . 1 1 7 7 LYS H H 7 8.500 8.500 8.359 0.141 17950 3592 1 11 . 1 1 8 8 TRP N N 8 125.581 125.581 118.595 6.986 17950 3593 1 11 . 1 1 8 8 TRP HA H 8 4.504 4.504 5.128 -0.624 17950 3594 1 11 . 1 1 8 8 TRP C C 8 177.459 177.459 175.319 2.140 17950 3595 1 11 . 1 1 8 8 TRP CA C 8 57.777 57.777 55.295 2.482 17950 3596 1 11 . 1 1 8 8 TRP CB C 8 28.836 28.836 30.577 -1.741 17950 3597 1 11 . 1 1 8 8 TRP H H 8 8.959 8.959 7.286 1.673 17950 3598 1 11 . 1 1 9 9 THR N N 9 115.986 115.986 113.335 2.651 17950 3599 1 11 . 1 1 9 9 THR HA H 9 4.759 4.759 4.808 -0.049 17950 3600 1 11 . 1 1 9 9 THR CA C 9 59.565 59.565 59.153 0.412 17950 3601 1 11 . 1 1 9 9 THR CB C 9 68.786 68.786 69.198 -0.412 17950 3602 1 11 . 1 1 9 9 THR H H 9 9.105 9.105 8.524 0.581 17950 3603 1 11 . 1 1 10 10 PRO HA H 10 4.369 4.369 4.623 -0.254 17950 3604 1 11 . 1 1 10 10 PRO C C 10 180.115 180.115 179.114 1.001 17950 3605 1 11 . 1 1 10 10 PRO CA C 10 65.387 65.387 65.424 -0.037 17950 3606 1 11 . 1 1 10 10 PRO CB C 10 31.739 31.739 32.197 -0.458 17950 3607 1 11 . 1 1 11 11 GLU N N 11 118.329 118.329 118.460 -0.131 17950 3608 1 11 . 1 1 11 11 GLU HA H 11 4.065 4.065 4.094 -0.029 17950 3609 1 11 . 1 1 11 11 GLU C C 11 180.122 180.122 179.097 1.025 17950 3610 1 11 . 1 1 11 11 GLU CA C 11 60.640 60.640 60.184 0.456 17950 3611 1 11 . 1 1 11 11 GLU CB C 11 28.680 28.680 29.389 -0.709 17950 3612 1 11 . 1 1 11 11 GLU H H 11 9.009 9.009 9.109 -0.100 17950 3613 1 11 . 1 1 12 12 GLU N N 12 121.178 121.178 118.794 2.384 17950 3614 1 11 . 1 1 12 12 GLU HA H 12 3.857 3.857 4.121 -0.264 17950 3615 1 11 . 1 1 12 12 GLU C C 12 179.021 179.021 178.889 0.132 17950 3616 1 11 . 1 1 12 12 GLU CA C 12 59.900 59.900 59.334 0.566 17950 3617 1 11 . 1 1 12 12 GLU CB C 12 32.276 32.276 29.468 2.808 17950 3618 1 11 . 1 1 12 12 GLU H H 12 7.952 7.952 7.761 0.191 17950 3619 1 11 . 1 1 13 13 GLU N N 13 118.771 118.771 119.701 -0.930 17950 3620 1 11 . 1 1 13 13 GLU HA H 13 3.928 3.928 3.867 0.061 17950 3621 1 11 . 1 1 13 13 GLU C C 13 178.499 178.499 178.826 -0.327 17950 3622 1 11 . 1 1 13 13 GLU CA C 13 61.052 61.052 59.326 1.726 17950 3623 1 11 . 1 1 13 13 GLU CB C 13 29.552 29.552 29.396 0.156 17950 3624 1 11 . 1 1 13 13 GLU H H 13 8.446 8.446 7.532 0.914 17950 3625 1 11 . 1 1 14 14 ALA N N 14 120.274 120.274 121.029 -0.755 17950 3626 1 11 . 1 1 14 14 ALA HA H 14 4.095 4.095 4.042 0.053 17950 3627 1 11 . 1 1 14 14 ALA C C 14 180.719 180.719 179.659 1.060 17950 3628 1 11 . 1 1 14 14 ALA CA C 14 55.053 55.053 55.165 -0.112 17950 3629 1 11 . 1 1 14 14 ALA CB C 14 18.019 18.019 18.257 -0.238 17950 3630 1 11 . 1 1 14 14 ALA H H 14 8.434 8.434 7.980 0.454 17950 3631 1 11 . 1 1 15 15 ALA N N 15 122.356 122.356 120.815 1.541 17950 3632 1 11 . 1 1 15 15 ALA HA H 15 4.381 4.381 4.269 0.112 17950 3633 1 11 . 1 1 15 15 ALA C C 15 178.553 178.553 179.400 -0.847 17950 3634 1 11 . 1 1 15 15 ALA CA C 15 54.786 54.786 54.718 0.068 17950 3635 1 11 . 1 1 15 15 ALA CB C 15 18.779 18.779 18.718 0.061 17950 3636 1 11 . 1 1 15 15 ALA H H 15 7.900 7.900 7.829 0.071 17950 3637 1 11 . 1 1 16 16 LEU N N 16 118.626 118.626 119.945 -1.319 17950 3638 1 11 . 1 1 16 16 LEU HA H 16 3.921 3.921 3.756 0.165 17950 3639 1 11 . 1 1 16 16 LEU C C 16 177.536 177.536 178.429 -0.893 17950 3640 1 11 . 1 1 16 16 LEU CA C 16 58.384 58.384 58.156 0.229 17950 3641 1 11 . 1 1 16 16 LEU CB C 16 42.189 42.189 41.649 0.540 17950 3642 1 11 . 1 1 16 16 LEU H H 16 8.182 8.182 8.118 0.064 17950 3643 1 11 . 1 1 17 17 LYS N N 17 117.009 117.009 118.817 -1.808 17950 3644 1 11 . 1 1 17 17 LYS HA H 17 3.906 3.906 3.743 0.163 17950 3645 1 11 . 1 1 17 17 LYS C C 17 178.796 178.796 178.777 0.019 17950 3646 1 11 . 1 1 17 17 LYS CA C 17 60.496 60.496 59.519 0.977 17950 3647 1 11 . 1 1 17 17 LYS CB C 17 32.720 32.720 31.660 1.060 17950 3648 1 11 . 1 1 17 17 LYS H H 17 8.029 8.029 7.765 0.264 17950 3649 1 11 . 1 1 18 18 ALA N N 18 121.422 121.422 120.301 1.121 17950 3650 1 11 . 1 1 18 18 ALA HA H 18 4.021 4.021 4.125 -0.104 17950 3651 1 11 . 1 1 18 18 ALA C C 18 180.627 180.627 179.838 0.789 17950 3652 1 11 . 1 1 18 18 ALA CA C 18 54.752 54.752 54.967 -0.215 17950 3653 1 11 . 1 1 18 18 ALA CB C 18 18.405 18.405 18.279 0.126 17950 3654 1 11 . 1 1 18 18 ALA H H 18 8.174 8.174 7.695 0.479 17950 3655 1 11 . 1 1 19 19 GLY N N 19 110.862 110.862 106.164 4.698 17950 3656 1 11 . 1 1 19 19 GLY C C 19 174.803 174.803 176.156 -1.353 17950 3657 1 11 . 1 1 19 19 GLY CA C 19 47.190 47.190 46.370 0.820 17950 3658 1 11 . 1 1 19 19 GLY H H 19 8.503 8.503 7.479 1.024 17950 3659 1 11 . 1 1 20 20 VAL N N 20 123.677 123.677 122.420 1.257 17950 3660 1 11 . 1 1 20 20 VAL HA H 20 3.166 3.166 4.385 -1.219 17950 3661 1 11 . 1 1 20 20 VAL C C 20 179.632 179.632 177.525 2.107 17950 3662 1 11 . 1 1 20 20 VAL CA C 20 65.603 65.603 65.415 0.188 17950 3663 1 11 . 1 1 20 20 VAL CB C 20 30.946 30.946 31.735 -0.789 17950 3664 1 11 . 1 1 20 20 VAL H H 20 8.106 8.106 7.952 0.154 17950 3665 1 11 . 1 1 21 21 LEU N N 21 122.348 122.348 118.387 3.961 17950 3666 1 11 . 1 1 21 21 LEU HA H 21 3.894 3.894 4.110 -0.216 17950 3667 1 11 . 1 1 21 21 LEU C C 21 178.085 178.085 178.594 -0.509 17950 3668 1 11 . 1 1 21 21 LEU CA C 21 58.028 58.028 57.139 0.889 17950 3669 1 11 . 1 1 21 21 LEU CB C 21 41.401 41.401 41.933 -0.532 17950 3670 1 11 . 1 1 21 21 LEU H H 21 7.817 7.817 7.793 0.024 17950 3671 1 11 . 1 1 22 22 LYS N N 22 117.663 117.663 118.174 -0.511 17950 3672 1 11 . 1 1 22 22 LYS HA H 22 3.837 3.837 3.959 -0.122 17950 3673 1 11 . 1 1 22 22 LYS C C 22 177.740 177.740 178.363 -0.623 17950 3674 1 11 . 1 1 22 22 LYS CA C 22 59.206 59.206 58.559 0.648 17950 3675 1 11 . 1 1 22 22 LYS CB C 22 35.176 35.176 32.197 2.979 17950 3676 1 11 . 1 1 22 22 LYS H H 22 7.520 7.520 7.872 -0.352 17950 3677 1 11 . 1 1 23 23 HIS N N 23 113.904 113.904 113.659 0.245 17950 3678 1 11 . 1 1 23 23 HIS HA H 23 4.625 4.625 4.703 -0.078 17950 3679 1 11 . 1 1 23 23 HIS C C 23 176.122 176.122 175.745 0.377 17950 3680 1 11 . 1 1 23 23 HIS CA C 23 57.211 57.211 56.839 0.372 17950 3681 1 11 . 1 1 23 23 HIS CB C 23 33.414 33.414 32.673 0.741 17950 3682 1 11 . 1 1 23 23 HIS H H 23 8.311 8.311 7.665 0.646 17950 3683 1 11 . 1 1 24 24 GLY N N 24 110.098 110.098 105.617 4.481 17950 3684 1 11 . 1 1 24 24 GLY C C 24 173.041 173.041 172.804 0.237 17950 3685 1 11 . 1 1 24 24 GLY CA C 24 43.563 43.563 45.298 -1.735 17950 3686 1 11 . 1 1 24 24 GLY H H 24 8.158 8.158 7.705 0.453 17950 3687 1 11 . 1 1 25 25 THR N N 25 108.590 108.590 112.756 -4.166 17950 3688 1 11 . 1 1 25 25 THR HA H 25 3.123 3.123 4.561 -1.438 17950 3689 1 11 . 1 1 25 25 THR C C 25 174.866 174.866 174.236 0.630 17950 3690 1 11 . 1 1 25 25 THR CA C 25 61.992 61.992 61.484 0.508 17950 3691 1 11 . 1 1 25 25 THR CB C 25 69.110 69.110 67.880 1.230 17950 3692 1 11 . 1 1 25 25 THR H H 25 7.826 7.826 8.351 -0.525 17950 3693 1 11 . 1 1 26 26 GLY N N 26 106.794 106.794 108.096 -1.302 17950 3694 1 11 . 1 1 26 26 GLY C C 26 173.988 173.988 173.715 0.273 17950 3695 1 11 . 1 1 26 26 GLY CA C 26 45.639 45.639 45.300 0.339 17950 3696 1 11 . 1 1 26 26 GLY H H 26 5.553 5.553 7.229 -1.675 17950 3697 1 11 . 1 1 27 27 LYS N N 27 122.617 122.617 122.536 0.081 17950 3698 1 11 . 1 1 27 27 LYS HA H 27 4.499 4.499 4.499 -0.000 17950 3699 1 11 . 1 1 27 27 LYS C C 27 176.586 176.586 175.736 0.850 17950 3700 1 11 . 1 1 27 27 LYS CA C 27 53.590 53.590 54.585 -0.995 17950 3701 1 11 . 1 1 27 27 LYS CB C 27 30.298 30.298 30.702 -0.404 17950 3702 1 11 . 1 1 27 27 LYS H H 27 7.025 7.025 7.838 -0.813 17950 3703 1 11 . 1 1 28 28 TRP N N 28 119.816 119.816 122.206 -2.390 17950 3704 1 11 . 1 1 28 28 TRP HA H 28 4.130 4.130 3.983 0.147 17950 3705 1 11 . 1 1 28 28 TRP C C 28 178.012 178.012 177.757 0.255 17950 3706 1 11 . 1 1 28 28 TRP CA C 28 58.414 58.414 59.840 -1.427 17950 3707 1 11 . 1 1 28 28 TRP CB C 28 30.008 30.008 28.726 1.282 17950 3708 1 11 . 1 1 28 28 TRP H H 28 6.384 6.384 7.607 -1.223 17950 3709 1 11 . 1 1 29 29 ARG N N 29 115.616 115.616 118.532 -2.916 17950 3710 1 11 . 1 1 29 29 ARG HA H 29 3.963 3.963 4.077 -0.114 17950 3711 1 11 . 1 1 29 29 ARG C C 29 178.821 178.821 178.034 0.787 17950 3712 1 11 . 1 1 29 29 ARG CA C 29 59.381 59.381 60.098 -0.717 17950 3713 1 11 . 1 1 29 29 ARG CB C 29 29.366 29.366 29.514 -0.148 17950 3714 1 11 . 1 1 29 29 ARG H H 29 8.465 8.465 8.408 0.057 17950 3715 1 11 . 1 1 30 30 THR N N 30 118.439 118.439 116.431 2.008 17950 3716 1 11 . 1 1 30 30 THR HA H 30 3.594 3.594 3.956 -0.362 17950 3717 1 11 . 1 1 30 30 THR C C 30 176.351 176.351 176.323 0.028 17950 3718 1 11 . 1 1 30 30 THR CA C 30 66.347 66.347 65.811 0.536 17950 3719 1 11 . 1 1 30 30 THR CB C 30 68.157 68.157 68.410 -0.253 17950 3720 1 11 . 1 1 30 30 THR H H 30 7.451 7.451 7.732 -0.281 17950 3721 1 11 . 1 1 31 31 ILE N N 31 121.530 121.530 121.483 0.047 17950 3722 1 11 . 1 1 31 31 ILE HA H 31 3.403 3.403 3.917 -0.514 17950 3723 1 11 . 1 1 31 31 ILE C C 31 176.326 176.326 177.421 -1.095 17950 3724 1 11 . 1 1 31 31 ILE CA C 31 66.885 66.885 65.487 1.398 17950 3725 1 11 . 1 1 31 31 ILE CB C 31 38.320 38.320 37.847 0.473 17950 3726 1 11 . 1 1 31 31 ILE H H 31 7.551 7.551 8.317 -0.766 17950 3727 1 11 . 1 1 32 32 LEU N N 32 113.721 113.721 117.686 -3.965 17950 3728 1 11 . 1 1 32 32 LEU HA H 32 3.871 3.871 4.274 -0.403 17950 3729 1 11 . 1 1 32 32 LEU C C 32 177.633 177.633 177.699 -0.066 17950 3730 1 11 . 1 1 32 32 LEU CA C 32 56.846 56.846 56.446 0.400 17950 3731 1 11 . 1 1 32 32 LEU CB C 32 42.246 42.246 42.398 -0.152 17950 3732 1 11 . 1 1 32 32 LEU H H 32 7.317 7.317 7.662 -0.345 17950 3733 1 11 . 1 1 33 33 SER N N 33 110.515 110.515 111.060 -0.545 17950 3734 1 11 . 1 1 33 33 SER HA H 33 4.442 4.442 4.328 0.114 17950 3735 1 11 . 1 1 33 33 SER C C 33 173.479 173.479 174.299 -0.820 17950 3736 1 11 . 1 1 33 33 SER CA C 33 58.210 58.210 59.237 -1.027 17950 3737 1 11 . 1 1 33 33 SER CB C 33 64.194 64.194 63.595 0.599 17950 3738 1 11 . 1 1 33 33 SER H H 33 7.389 7.389 7.231 0.158 17950 3739 1 11 . 1 1 34 34 ASP N N 34 125.920 125.920 121.545 4.375 17950 3740 1 11 . 1 1 34 34 ASP HA H 34 4.617 4.617 4.892 -0.275 17950 3741 1 11 . 1 1 34 34 ASP C C 34 178.020 178.020 177.013 1.007 17950 3742 1 11 . 1 1 34 34 ASP CA C 34 53.652 53.652 52.977 0.675 17950 3743 1 11 . 1 1 34 34 ASP CB C 34 42.056 42.056 42.199 -0.143 17950 3744 1 11 . 1 1 34 34 ASP H H 34 7.426 7.426 7.790 -0.364 17950 3745 1 11 . 1 1 35 35 THR N N 35 122.180 122.180 122.574 -0.394 17950 3746 1 11 . 1 1 35 35 THR HA H 35 4.223 4.223 3.932 0.291 17950 3747 1 11 . 1 1 35 35 THR C C 35 175.997 175.997 175.785 0.212 17950 3748 1 11 . 1 1 35 35 THR CA C 35 64.686 64.686 66.306 -1.620 17950 3749 1 11 . 1 1 35 35 THR CB C 35 68.728 68.728 68.894 -0.166 17950 3750 1 11 . 1 1 35 35 THR H H 35 8.689 8.689 8.736 -0.047 17950 3751 1 11 . 1 1 36 36 GLU N N 36 122.403 122.403 120.642 1.761 17950 3752 1 11 . 1 1 36 36 GLU HA H 36 3.698 3.698 3.840 -0.142 17950 3753 1 11 . 1 1 36 36 GLU C C 36 177.497 177.497 176.649 0.848 17950 3754 1 11 . 1 1 36 36 GLU CA C 36 59.317 59.317 58.328 0.989 17950 3755 1 11 . 1 1 36 36 GLU CB C 36 29.107 29.107 29.231 -0.124 17950 3756 1 11 . 1 1 36 36 GLU H H 36 8.818 8.818 8.311 0.507 17950 3757 1 11 . 1 1 37 37 PHE N N 37 114.348 114.348 113.233 1.115 17950 3758 1 11 . 1 1 37 37 PHE HA H 37 4.857 4.857 4.845 0.012 17950 3759 1 11 . 1 1 37 37 PHE C C 37 177.191 177.191 175.091 2.100 17950 3760 1 11 . 1 1 37 37 PHE CA C 37 56.463 56.463 56.861 -0.398 17950 3761 1 11 . 1 1 37 37 PHE CB C 37 41.086 41.086 40.270 0.816 17950 3762 1 11 . 1 1 37 37 PHE H H 37 7.477 7.477 8.046 -0.569 17950 3763 1 11 . 1 1 38 38 SER N N 38 114.722 114.722 117.256 -2.534 17950 3764 1 11 . 1 1 38 38 SER HA H 38 3.822 3.822 4.514 -0.692 17950 3765 1 11 . 1 1 38 38 SER C C 38 176.516 176.516 176.456 0.060 17950 3766 1 11 . 1 1 38 38 SER CA C 38 61.996 61.996 60.706 1.290 17950 3767 1 11 . 1 1 38 38 SER CB C 38 62.761 62.761 63.766 -1.005 17950 3768 1 11 . 1 1 38 38 SER H H 38 8.546 8.546 7.652 0.894 17950 3769 1 11 . 1 1 39 39 LEU N N 39 121.277 121.277 120.167 1.110 17950 3770 1 11 . 1 1 39 39 LEU HA H 39 4.213 4.213 4.173 0.040 17950 3771 1 11 . 1 1 39 39 LEU C C 39 179.777 179.777 179.246 0.531 17950 3772 1 11 . 1 1 39 39 LEU CA C 39 57.171 57.171 57.832 -0.661 17950 3773 1 11 . 1 1 39 39 LEU CB C 39 41.340 41.340 41.288 0.051 17950 3774 1 11 . 1 1 39 39 LEU H H 39 8.115 8.115 7.706 0.409 17950 3775 1 11 . 1 1 40 40 ILE N N 40 120.137 120.137 117.944 2.193 17950 3776 1 11 . 1 1 40 40 ILE HA H 40 3.701 3.701 4.004 -0.303 17950 3777 1 11 . 1 1 40 40 ILE C C 40 178.413 178.413 176.768 1.645 17950 3778 1 11 . 1 1 40 40 ILE CA C 40 63.624 63.624 63.327 0.297 17950 3779 1 11 . 1 1 40 40 ILE CB C 40 38.778 38.778 37.529 1.250 17950 3780 1 11 . 1 1 40 40 ILE H H 40 7.525 7.525 8.164 -0.639 17950 3781 1 11 . 1 1 41 41 LEU N N 41 117.023 117.023 116.552 0.471 17950 3782 1 11 . 1 1 41 41 LEU HA H 41 4.406 4.406 4.836 -0.430 17950 3783 1 11 . 1 1 41 41 LEU C C 41 176.196 176.196 176.972 -0.776 17950 3784 1 11 . 1 1 41 41 LEU CA C 41 54.256 54.256 53.348 0.908 17950 3785 1 11 . 1 1 41 41 LEU CB C 41 41.891 41.891 41.668 0.223 17950 3786 1 11 . 1 1 41 41 LEU H H 41 7.608 7.608 8.159 -0.551 17950 3787 1 11 . 1 1 42 42 LYS N N 42 116.369 116.369 120.620 -4.251 17950 3788 1 11 . 1 1 42 42 LYS HA H 42 4.050 4.050 4.209 -0.159 17950 3789 1 11 . 1 1 42 42 LYS C C 42 177.139 177.139 177.174 -0.035 17950 3790 1 11 . 1 1 42 42 LYS CA C 42 59.111 59.111 58.453 0.658 17950 3791 1 11 . 1 1 42 42 LYS CB C 42 32.553 32.553 31.967 0.586 17950 3792 1 11 . 1 1 42 42 LYS H H 42 6.645 6.645 7.390 -0.745 17950 3793 1 11 . 1 1 43 43 SER N N 43 115.061 115.061 113.346 1.715 17950 3794 1 11 . 1 1 43 43 SER HA H 43 4.407 4.407 4.381 0.026 17950 3795 1 11 . 1 1 43 43 SER C C 43 173.754 173.754 174.650 -0.896 17950 3796 1 11 . 1 1 43 43 SER CA C 43 58.850 58.850 59.567 -0.717 17950 3797 1 11 . 1 1 43 43 SER CB C 43 63.117 63.117 63.602 -0.485 17950 3798 1 11 . 1 1 43 43 SER H H 43 8.443 8.443 8.582 -0.139 17950 3799 1 11 . 1 1 44 44 ARG N N 44 119.658 119.658 118.718 0.940 17950 3800 1 11 . 1 1 44 44 ARG HA H 44 4.674 4.674 4.732 -0.058 17950 3801 1 11 . 1 1 44 44 ARG C C 44 174.410 174.410 174.224 0.186 17950 3802 1 11 . 1 1 44 44 ARG CA C 44 52.244 52.244 53.793 -1.549 17950 3803 1 11 . 1 1 44 44 ARG CB C 44 31.309 31.309 32.855 -1.546 17950 3804 1 11 . 1 1 44 44 ARG H H 44 8.036 8.036 7.504 0.532 17950 3805 1 11 . 1 1 45 45 SER N N 45 116.676 116.676 114.350 2.326 17950 3806 1 11 . 1 1 45 45 SER HA H 45 4.764 4.764 4.796 -0.032 17950 3807 1 11 . 1 1 45 45 SER C C 45 175.294 175.294 175.453 -0.159 17950 3808 1 11 . 1 1 45 45 SER CA C 45 55.857 55.857 56.724 -0.867 17950 3809 1 11 . 1 1 45 45 SER CB C 45 66.828 66.828 66.246 0.583 17950 3810 1 11 . 1 1 45 45 SER H H 45 9.180 9.180 8.614 0.566 17950 3811 1 11 . 1 1 46 46 ASN N N 46 118.004 118.004 120.253 -2.249 17950 3812 1 11 . 1 1 46 46 ASN HA H 46 3.954 3.954 4.349 -0.395 17950 3813 1 11 . 1 1 46 46 ASN C C 46 176.356 176.356 176.772 -0.416 17950 3814 1 11 . 1 1 46 46 ASN CA C 46 57.734 57.734 56.400 1.334 17950 3815 1 11 . 1 1 46 46 ASN CB C 46 36.901 36.901 37.561 -0.660 17950 3816 1 11 . 1 1 46 46 ASN H H 46 9.005 9.005 8.800 0.205 17950 3817 1 11 . 1 1 47 47 VAL N N 47 119.294 119.294 119.664 -0.370 17950 3818 1 11 . 1 1 47 47 VAL HA H 47 3.422 3.422 3.573 -0.151 17950 3819 1 11 . 1 1 47 47 VAL C C 47 176.899 176.899 178.242 -1.343 17950 3820 1 11 . 1 1 47 47 VAL CA C 47 65.439 65.439 66.137 -0.698 17950 3821 1 11 . 1 1 47 47 VAL CB C 47 31.863 31.863 30.839 1.024 17950 3822 1 11 . 1 1 47 47 VAL H H 47 7.329 7.329 8.022 -0.693 17950 3823 1 11 . 1 1 48 48 ASP N N 48 120.297 120.297 119.862 0.435 17950 3824 1 11 . 1 1 48 48 ASP HA H 48 4.358 4.358 4.476 -0.118 17950 3825 1 11 . 1 1 48 48 ASP C C 48 179.879 179.879 178.957 0.922 17950 3826 1 11 . 1 1 48 48 ASP CA C 48 57.162 57.162 57.124 0.037 17950 3827 1 11 . 1 1 48 48 ASP CB C 48 41.040 41.040 40.954 0.086 17950 3828 1 11 . 1 1 48 48 ASP H H 48 7.597 7.597 7.708 -0.111 17950 3829 1 11 . 1 1 49 49 LEU N N 49 119.624 119.624 119.514 0.110 17950 3830 1 11 . 1 1 49 49 LEU HA H 49 3.824 3.824 3.994 -0.170 17950 3831 1 11 . 1 1 49 49 LEU C C 49 176.207 176.207 178.371 -2.164 17950 3832 1 11 . 1 1 49 49 LEU CA C 49 59.202 59.202 57.952 1.250 17950 3833 1 11 . 1 1 49 49 LEU CB C 49 41.113 41.113 41.045 0.068 17950 3834 1 11 . 1 1 49 49 LEU H H 49 7.835 7.835 7.670 0.165 17950 3835 1 11 . 1 1 50 50 LYS N N 50 119.306 119.306 117.398 1.908 17950 3836 1 11 . 1 1 50 50 LYS HA H 50 2.427 2.427 2.773 -0.346 17950 3837 1 11 . 1 1 50 50 LYS C C 50 178.745 178.745 178.350 0.395 17950 3838 1 11 . 1 1 50 50 LYS CA C 50 59.310 59.310 58.206 1.104 17950 3839 1 11 . 1 1 50 50 LYS CB C 50 31.906 31.906 30.772 1.134 17950 3840 1 11 . 1 1 50 50 LYS H H 50 6.788 6.788 7.476 -0.688 17950 3841 1 11 . 1 1 51 51 ASP N N 51 118.721 118.721 120.148 -1.427 17950 3842 1 11 . 1 1 51 51 ASP HA H 51 4.167 4.167 4.323 -0.156 17950 3843 1 11 . 1 1 51 51 ASP C C 51 178.461 178.461 178.091 0.370 17950 3844 1 11 . 1 1 51 51 ASP CA C 51 56.852 56.852 57.103 -0.251 17950 3845 1 11 . 1 1 51 51 ASP CB C 51 40.475 40.475 40.809 -0.334 17950 3846 1 11 . 1 1 51 51 ASP H H 51 8.203 8.203 7.642 0.561 17950 3847 1 11 . 1 1 52 52 LYS N N 52 121.009 121.009 119.680 1.329 17950 3848 1 11 . 1 1 52 52 LYS HA H 52 3.776 3.776 4.175 -0.399 17950 3849 1 11 . 1 1 52 52 LYS C C 52 178.328 178.328 178.866 -0.538 17950 3850 1 11 . 1 1 52 52 LYS CA C 52 56.841 56.841 59.105 -2.264 17950 3851 1 11 . 1 1 52 52 LYS CB C 52 31.473 31.473 32.507 -1.034 17950 3852 1 11 . 1 1 52 52 LYS H H 52 7.842 7.842 8.180 -0.338 17950 3853 1 11 . 1 1 53 53 TRP N N 53 119.577 119.577 119.928 -0.351 17950 3854 1 11 . 1 1 53 53 TRP HA H 53 4.121 4.121 4.382 -0.261 17950 3855 1 11 . 1 1 53 53 TRP C C 53 178.056 178.056 178.677 -0.621 17950 3856 1 11 . 1 1 53 53 TRP CA C 53 59.505 59.505 60.513 -1.008 17950 3857 1 11 . 1 1 53 53 TRP CB C 53 30.004 30.004 29.658 0.346 17950 3858 1 11 . 1 1 53 53 TRP H H 53 8.469 8.469 8.101 0.368 17950 3859 1 11 . 1 1 54 54 ARG N N 54 117.607 117.607 119.004 -1.397 17950 3860 1 11 . 1 1 54 54 ARG HA H 54 3.721 3.721 4.054 -0.333 17950 3861 1 11 . 1 1 54 54 ARG C C 54 177.399 177.399 178.094 -0.695 17950 3862 1 11 . 1 1 54 54 ARG CA C 54 59.030 59.030 59.615 -0.585 17950 3863 1 11 . 1 1 54 54 ARG CB C 54 29.401 29.401 30.205 -0.804 17950 3864 1 11 . 1 1 54 54 ARG H H 54 7.527 7.527 8.139 -0.612 17950 3865 1 11 . 1 1 55 55 ASN N N 55 115.552 115.552 118.250 -2.698 17950 3866 1 11 . 1 1 55 55 ASN HA H 55 4.387 4.387 4.510 -0.123 17950 3867 1 11 . 1 1 55 55 ASN C C 55 176.869 176.869 177.721 -0.852 17950 3868 1 11 . 1 1 55 55 ASN CA C 55 55.320 55.320 56.023 -0.703 17950 3869 1 11 . 1 1 55 55 ASN CB C 55 39.679 39.679 38.360 1.319 17950 3870 1 11 . 1 1 55 55 ASN H H 55 7.242 7.242 7.803 -0.561 17950 3871 1 11 . 1 1 56 56 ILE N N 56 117.285 117.285 117.011 0.274 17950 3872 1 11 . 1 1 56 56 ILE HA H 56 3.768 3.768 3.900 -0.132 17950 3873 1 11 . 1 1 56 56 ILE C C 56 176.781 176.781 176.178 0.603 17950 3874 1 11 . 1 1 56 56 ILE CA C 56 62.932 62.932 63.101 -0.169 17950 3875 1 11 . 1 1 56 56 ILE CB C 56 38.341 38.341 38.159 0.182 17950 3876 1 11 . 1 1 56 56 ILE H H 56 7.760 7.760 7.812 -0.052 17950 3877 1 11 . 1 1 57 57 SER N N 57 116.184 116.184 114.181 2.003 17950 3878 1 11 . 1 1 57 57 SER HA H 57 3.676 3.676 4.391 -0.715 17950 3879 1 11 . 1 1 57 57 SER C C 57 174.964 174.964 176.269 -1.305 17950 3880 1 11 . 1 1 57 57 SER CA C 57 59.435 59.435 59.944 -0.509 17950 3881 1 11 . 1 1 57 57 SER CB C 57 63.062 63.062 63.927 -0.865 17950 3882 1 11 . 1 1 57 57 SER H H 57 7.635 7.635 7.595 0.040 17950 3883 1 11 . 1 1 58 58 VAL N N 58 119.671 119.671 120.828 -1.157 17950 3884 1 11 . 1 1 58 58 VAL HA H 58 3.959 3.959 3.935 0.024 17950 3885 1 11 . 1 1 58 58 VAL C C 58 176.787 176.787 175.822 0.965 17950 3886 1 11 . 1 1 58 58 VAL CA C 58 63.249 63.249 64.621 -1.372 17950 3887 1 11 . 1 1 58 58 VAL CB C 58 31.964 31.964 32.195 -0.231 17950 3888 1 11 . 1 1 58 58 VAL H H 58 7.454 7.454 7.695 -0.241 17950 3889 1 11 . 1 1 59 59 THR N N 59 114.912 114.912 114.879 0.033 17950 3890 1 11 . 1 1 59 59 THR HA H 59 3.924 3.924 4.594 -0.670 17950 3891 1 11 . 1 1 59 59 THR C C 59 174.839 174.839 173.270 1.569 17950 3892 1 11 . 1 1 59 59 THR CA C 59 62.616 62.616 61.026 1.590 17950 3893 1 11 . 1 1 59 59 THR CB C 59 69.358 69.358 68.425 0.933 17950 3894 1 11 . 1 1 59 59 THR H H 59 7.681 7.681 7.780 -0.099 17950 3895 1 11 . 1 1 60 60 ALA N N 60 124.969 124.969 129.709 -4.740 17950 3896 1 11 . 1 1 60 60 ALA HA H 60 4.094 4.094 4.568 -0.474 17950 3897 1 11 . 1 1 60 60 ALA C C 60 177.636 177.636 177.828 -0.192 17950 3898 1 11 . 1 1 60 60 ALA CA C 60 52.909 52.909 53.341 -0.432 17950 3899 1 11 . 1 1 60 60 ALA CB C 60 18.757 18.757 19.669 -0.912 17950 3900 1 11 . 1 1 60 60 ALA H H 60 7.939 7.939 8.235 -0.296 17950 3901 1 11 . 1 1 61 61 LEU N N 61 119.572 119.572 112.937 6.635 17950 3902 1 11 . 1 1 61 61 LEU HA H 61 4.150 4.150 4.638 -0.488 17950 3903 1 11 . 1 1 61 61 LEU C C 61 177.260 177.260 176.875 0.385 17950 3904 1 11 . 1 1 61 61 LEU CA C 61 55.183 55.183 54.347 0.836 17950 3905 1 11 . 1 1 61 61 LEU CB C 61 41.901 41.901 42.425 -0.524 17950 3906 1 11 . 1 1 61 61 LEU H H 61 7.812 7.812 7.597 0.215 17950 3907 1 11 . 1 1 62 62 TRP N N 62 120.635 120.635 121.200 -0.565 17950 3908 1 11 . 1 1 62 62 TRP HA H 62 4.617 4.617 4.436 0.181 17950 3909 1 11 . 1 1 62 62 TRP C C 62 176.752 176.752 177.248 -0.496 17950 3910 1 11 . 1 1 62 62 TRP CA C 62 57.262 57.262 59.285 -2.023 17950 3911 1 11 . 1 1 62 62 TRP CB C 62 29.579 29.579 29.643 -0.064 17950 3912 1 11 . 1 1 62 62 TRP H H 62 7.851 7.851 7.904 -0.053 17950 3913 1 11 . 1 1 63 63 GLY N N 63 110.695 110.695 112.529 -1.834 17950 3914 1 11 . 1 1 63 63 GLY C C 63 173.238 173.238 174.644 -1.406 17950 3915 1 11 . 1 1 63 63 GLY CA C 63 45.357 45.357 44.861 0.496 17950 3916 1 11 . 1 1 63 63 GLY H H 63 8.132 8.132 8.511 -0.379 17950 3917 1 12 . 1 1 2 2 GLY N N 2 110.542 110.542 112.038 -1.496 17950 3918 1 12 . 1 1 2 2 GLY C C 2 173.237 173.237 172.781 0.456 17950 3919 1 12 . 1 1 2 2 GLY CA C 2 44.918 44.918 44.399 0.519 17950 3920 1 12 . 1 1 2 2 GLY H H 2 8.335 8.335 8.452 -0.117 17950 3921 1 12 . 1 1 3 3 ALA N N 3 124.917 124.917 126.205 -1.288 17950 3922 1 12 . 1 1 3 3 ALA HA H 3 4.513 4.513 4.653 -0.140 17950 3923 1 12 . 1 1 3 3 ALA CA C 3 50.370 50.370 51.549 -1.179 17950 3924 1 12 . 1 1 3 3 ALA CB C 3 18.052 18.052 19.907 -1.855 17950 3925 1 12 . 1 1 3 3 ALA H H 3 8.069 8.069 8.009 0.060 17950 3926 1 12 . 1 1 4 4 PRO HA H 4 4.341 4.341 4.442 -0.101 17950 3927 1 12 . 1 1 4 4 PRO C C 4 177.068 177.068 176.953 0.115 17950 3928 1 12 . 1 1 4 4 PRO CA C 4 63.007 63.007 63.879 -0.872 17950 3929 1 12 . 1 1 4 4 PRO CB C 4 32.015 32.015 32.113 -0.098 17950 3930 1 12 . 1 1 5 5 LYS N N 5 121.494 121.494 119.264 2.230 17950 3931 1 12 . 1 1 5 5 LYS HA H 5 4.180 4.180 4.538 -0.358 17950 3932 1 12 . 1 1 5 5 LYS C C 5 176.697 176.697 175.075 1.622 17950 3933 1 12 . 1 1 5 5 LYS CA C 5 56.140 56.140 55.811 0.329 17950 3934 1 12 . 1 1 5 5 LYS CB C 5 32.871 32.871 34.011 -1.139 17950 3935 1 12 . 1 1 5 5 LYS H H 5 8.376 8.376 7.950 0.426 17950 3936 1 12 . 1 1 6 6 GLN N N 6 121.572 121.572 119.830 1.742 17950 3937 1 12 . 1 1 6 6 GLN HA H 6 4.230 4.230 4.473 -0.243 17950 3938 1 12 . 1 1 6 6 GLN C C 6 176.847 176.847 174.879 1.968 17950 3939 1 12 . 1 1 6 6 GLN CA C 6 55.634 55.634 55.323 0.311 17950 3940 1 12 . 1 1 6 6 GLN CB C 6 29.290 29.290 30.254 -0.964 17950 3941 1 12 . 1 1 6 6 GLN H H 6 8.438 8.438 8.217 0.221 17950 3942 1 12 . 1 1 7 7 LYS N N 7 125.757 125.757 118.791 6.966 17950 3943 1 12 . 1 1 7 7 LYS HA H 7 4.259 4.259 4.365 -0.106 17950 3944 1 12 . 1 1 7 7 LYS C C 7 176.770 176.770 174.873 1.897 17950 3945 1 12 . 1 1 7 7 LYS CA C 7 56.899 56.899 56.317 0.582 17950 3946 1 12 . 1 1 7 7 LYS CB C 7 32.782 32.782 33.255 -0.473 17950 3947 1 12 . 1 1 7 7 LYS H H 7 8.500 8.500 8.518 -0.018 17950 3948 1 12 . 1 1 8 8 TRP N N 8 125.581 125.581 119.508 6.073 17950 3949 1 12 . 1 1 8 8 TRP HA H 8 4.504 4.504 4.997 -0.493 17950 3950 1 12 . 1 1 8 8 TRP C C 8 177.459 177.459 175.382 2.077 17950 3951 1 12 . 1 1 8 8 TRP CA C 8 57.777 57.777 55.677 2.100 17950 3952 1 12 . 1 1 8 8 TRP CB C 8 28.836 28.836 30.594 -1.758 17950 3953 1 12 . 1 1 8 8 TRP H H 8 8.959 8.959 7.719 1.240 17950 3954 1 12 . 1 1 9 9 THR N N 9 115.986 115.986 113.069 2.917 17950 3955 1 12 . 1 1 9 9 THR HA H 9 4.759 4.759 4.868 -0.109 17950 3956 1 12 . 1 1 9 9 THR CA C 9 59.565 59.565 59.315 0.250 17950 3957 1 12 . 1 1 9 9 THR CB C 9 68.786 68.786 70.360 -1.574 17950 3958 1 12 . 1 1 9 9 THR H H 9 9.105 9.105 8.156 0.949 17950 3959 1 12 . 1 1 10 10 PRO HA H 10 4.369 4.369 4.474 -0.105 17950 3960 1 12 . 1 1 10 10 PRO C C 10 180.115 180.115 178.735 1.380 17950 3961 1 12 . 1 1 10 10 PRO CA C 10 65.387 65.387 64.820 0.567 17950 3962 1 12 . 1 1 10 10 PRO CB C 10 31.739 31.739 32.114 -0.375 17950 3963 1 12 . 1 1 11 11 GLU N N 11 118.329 118.329 118.592 -0.263 17950 3964 1 12 . 1 1 11 11 GLU HA H 11 4.065 4.065 4.065 0.000 17950 3965 1 12 . 1 1 11 11 GLU C C 11 180.122 180.122 178.893 1.229 17950 3966 1 12 . 1 1 11 11 GLU CA C 11 60.640 60.640 60.107 0.533 17950 3967 1 12 . 1 1 11 11 GLU CB C 11 28.680 28.680 29.417 -0.737 17950 3968 1 12 . 1 1 11 11 GLU H H 11 9.009 9.009 9.122 -0.113 17950 3969 1 12 . 1 1 12 12 GLU N N 12 121.178 121.178 118.772 2.406 17950 3970 1 12 . 1 1 12 12 GLU HA H 12 3.857 3.857 4.081 -0.224 17950 3971 1 12 . 1 1 12 12 GLU C C 12 179.021 179.021 178.947 0.074 17950 3972 1 12 . 1 1 12 12 GLU CA C 12 59.900 59.900 59.228 0.672 17950 3973 1 12 . 1 1 12 12 GLU CB C 12 32.276 32.276 29.431 2.845 17950 3974 1 12 . 1 1 12 12 GLU H H 12 7.952 7.952 7.765 0.187 17950 3975 1 12 . 1 1 13 13 GLU N N 13 118.771 118.771 120.035 -1.264 17950 3976 1 12 . 1 1 13 13 GLU HA H 13 3.928 3.928 4.030 -0.102 17950 3977 1 12 . 1 1 13 13 GLU C C 13 178.499 178.499 179.013 -0.514 17950 3978 1 12 . 1 1 13 13 GLU CA C 13 61.052 61.052 59.202 1.851 17950 3979 1 12 . 1 1 13 13 GLU CB C 13 29.552 29.552 29.628 -0.076 17950 3980 1 12 . 1 1 13 13 GLU H H 13 8.446 8.446 7.598 0.848 17950 3981 1 12 . 1 1 14 14 ALA N N 14 120.274 120.274 121.282 -1.008 17950 3982 1 12 . 1 1 14 14 ALA HA H 14 4.095 4.095 4.130 -0.035 17950 3983 1 12 . 1 1 14 14 ALA C C 14 180.719 180.719 179.580 1.139 17950 3984 1 12 . 1 1 14 14 ALA CA C 14 55.053 55.053 55.006 0.047 17950 3985 1 12 . 1 1 14 14 ALA CB C 14 18.019 18.019 18.189 -0.170 17950 3986 1 12 . 1 1 14 14 ALA H H 14 8.434 8.434 8.557 -0.123 17950 3987 1 12 . 1 1 15 15 ALA N N 15 122.356 122.356 122.125 0.231 17950 3988 1 12 . 1 1 15 15 ALA HA H 15 4.381 4.381 4.079 0.302 17950 3989 1 12 . 1 1 15 15 ALA C C 15 178.553 178.553 179.456 -0.903 17950 3990 1 12 . 1 1 15 15 ALA CA C 15 54.786 54.786 54.951 -0.165 17950 3991 1 12 . 1 1 15 15 ALA CB C 15 18.779 18.779 18.360 0.419 17950 3992 1 12 . 1 1 15 15 ALA H H 15 7.900 7.900 7.846 0.054 17950 3993 1 12 . 1 1 16 16 LEU N N 16 118.626 118.626 119.323 -0.697 17950 3994 1 12 . 1 1 16 16 LEU HA H 16 3.921 3.921 3.920 0.001 17950 3995 1 12 . 1 1 16 16 LEU C C 16 177.536 177.536 178.758 -1.222 17950 3996 1 12 . 1 1 16 16 LEU CA C 16 58.384 58.384 58.118 0.265 17950 3997 1 12 . 1 1 16 16 LEU CB C 16 42.189 42.189 42.132 0.057 17950 3998 1 12 . 1 1 16 16 LEU H H 16 8.182 8.182 7.898 0.284 17950 3999 1 12 . 1 1 17 17 LYS N N 17 117.009 117.009 118.950 -1.941 17950 4000 1 12 . 1 1 17 17 LYS HA H 17 3.906 3.906 3.925 -0.019 17950 4001 1 12 . 1 1 17 17 LYS C C 17 178.796 178.796 178.858 -0.062 17950 4002 1 12 . 1 1 17 17 LYS CA C 17 60.496 60.496 59.751 0.745 17950 4003 1 12 . 1 1 17 17 LYS CB C 17 32.720 32.720 32.000 0.720 17950 4004 1 12 . 1 1 17 17 LYS H H 17 8.029 8.029 8.022 0.007 17950 4005 1 12 . 1 1 18 18 ALA N N 18 121.422 121.422 120.395 1.027 17950 4006 1 12 . 1 1 18 18 ALA HA H 18 4.021 4.021 4.084 -0.063 17950 4007 1 12 . 1 1 18 18 ALA C C 18 180.627 180.627 179.805 0.822 17950 4008 1 12 . 1 1 18 18 ALA CA C 18 54.752 54.752 54.795 -0.043 17950 4009 1 12 . 1 1 18 18 ALA CB C 18 18.405 18.405 18.034 0.371 17950 4010 1 12 . 1 1 18 18 ALA H H 18 8.174 8.174 8.269 -0.095 17950 4011 1 12 . 1 1 19 19 GLY N N 19 110.862 110.862 105.527 5.335 17950 4012 1 12 . 1 1 19 19 GLY C C 19 174.803 174.803 175.759 -0.956 17950 4013 1 12 . 1 1 19 19 GLY CA C 19 47.190 47.190 46.736 0.454 17950 4014 1 12 . 1 1 19 19 GLY H H 19 8.503 8.503 7.599 0.904 17950 4015 1 12 . 1 1 20 20 VAL N N 20 123.677 123.677 122.434 1.243 17950 4016 1 12 . 1 1 20 20 VAL HA H 20 3.166 3.166 4.046 -0.880 17950 4017 1 12 . 1 1 20 20 VAL C C 20 179.632 179.632 177.326 2.306 17950 4018 1 12 . 1 1 20 20 VAL CA C 20 65.603 65.603 64.787 0.816 17950 4019 1 12 . 1 1 20 20 VAL CB C 20 30.946 30.946 31.754 -0.808 17950 4020 1 12 . 1 1 20 20 VAL H H 20 8.106 8.106 7.386 0.720 17950 4021 1 12 . 1 1 21 21 LEU N N 21 122.348 122.348 118.301 4.047 17950 4022 1 12 . 1 1 21 21 LEU HA H 21 3.894 3.894 4.032 -0.138 17950 4023 1 12 . 1 1 21 21 LEU C C 21 178.085 178.085 178.517 -0.432 17950 4024 1 12 . 1 1 21 21 LEU CA C 21 58.028 58.028 57.182 0.846 17950 4025 1 12 . 1 1 21 21 LEU CB C 21 41.401 41.401 42.027 -0.626 17950 4026 1 12 . 1 1 21 21 LEU H H 21 7.817 7.817 7.589 0.228 17950 4027 1 12 . 1 1 22 22 LYS N N 22 117.663 117.663 117.868 -0.205 17950 4028 1 12 . 1 1 22 22 LYS HA H 22 3.837 3.837 3.997 -0.160 17950 4029 1 12 . 1 1 22 22 LYS C C 22 177.740 177.740 177.983 -0.243 17950 4030 1 12 . 1 1 22 22 LYS CA C 22 59.206 59.206 58.688 0.518 17950 4031 1 12 . 1 1 22 22 LYS CB C 22 35.176 35.176 32.242 2.934 17950 4032 1 12 . 1 1 22 22 LYS H H 22 7.520 7.520 7.512 0.008 17950 4033 1 12 . 1 1 23 23 HIS N N 23 113.904 113.904 114.843 -0.939 17950 4034 1 12 . 1 1 23 23 HIS HA H 23 4.625 4.625 4.553 0.072 17950 4035 1 12 . 1 1 23 23 HIS C C 23 176.122 176.122 175.156 0.966 17950 4036 1 12 . 1 1 23 23 HIS CA C 23 57.211 57.211 56.175 1.036 17950 4037 1 12 . 1 1 23 23 HIS CB C 23 33.414 33.414 32.193 1.221 17950 4038 1 12 . 1 1 23 23 HIS H H 23 8.311 8.311 7.791 0.520 17950 4039 1 12 . 1 1 24 24 GLY N N 24 110.098 110.098 106.022 4.076 17950 4040 1 12 . 1 1 24 24 GLY C C 24 173.041 173.041 172.500 0.541 17950 4041 1 12 . 1 1 24 24 GLY CA C 24 43.563 43.563 44.756 -1.193 17950 4042 1 12 . 1 1 24 24 GLY H H 24 8.158 8.158 7.450 0.708 17950 4043 1 12 . 1 1 25 25 THR N N 25 108.590 108.590 111.647 -3.057 17950 4044 1 12 . 1 1 25 25 THR HA H 25 3.123 3.123 4.090 -0.967 17950 4045 1 12 . 1 1 25 25 THR C C 25 174.866 174.866 175.274 -0.408 17950 4046 1 12 . 1 1 25 25 THR CA C 25 61.992 61.992 61.851 0.141 17950 4047 1 12 . 1 1 25 25 THR CB C 25 69.110 69.110 70.030 -0.920 17950 4048 1 12 . 1 1 25 25 THR H H 25 7.826 7.826 8.262 -0.436 17950 4049 1 12 . 1 1 26 26 GLY N N 26 106.794 106.794 111.105 -4.311 17950 4050 1 12 . 1 1 26 26 GLY C C 26 173.988 173.988 174.790 -0.802 17950 4051 1 12 . 1 1 26 26 GLY CA C 26 45.639 45.639 45.377 0.262 17950 4052 1 12 . 1 1 26 26 GLY H H 26 5.553 5.553 7.561 -2.009 17950 4053 1 12 . 1 1 27 27 LYS N N 27 122.617 122.617 119.897 2.720 17950 4054 1 12 . 1 1 27 27 LYS HA H 27 4.499 4.499 4.197 0.302 17950 4055 1 12 . 1 1 27 27 LYS C C 27 176.586 176.586 177.179 -0.593 17950 4056 1 12 . 1 1 27 27 LYS CA C 27 53.590 53.590 54.956 -1.366 17950 4057 1 12 . 1 1 27 27 LYS CB C 27 30.298 30.298 30.403 -0.105 17950 4058 1 12 . 1 1 27 27 LYS H H 27 7.025 7.025 7.713 -0.688 17950 4059 1 12 . 1 1 28 28 TRP N N 28 119.816 119.816 120.900 -1.084 17950 4060 1 12 . 1 1 28 28 TRP HA H 28 4.130 4.130 4.184 -0.054 17950 4061 1 12 . 1 1 28 28 TRP C C 28 178.012 178.012 177.665 0.347 17950 4062 1 12 . 1 1 28 28 TRP CA C 28 58.414 58.414 60.164 -1.750 17950 4063 1 12 . 1 1 28 28 TRP CB C 28 30.008 30.008 28.006 2.002 17950 4064 1 12 . 1 1 28 28 TRP H H 28 6.384 6.384 7.172 -0.788 17950 4065 1 12 . 1 1 29 29 ARG N N 29 115.616 115.616 120.074 -4.458 17950 4066 1 12 . 1 1 29 29 ARG HA H 29 3.963 3.963 3.975 -0.012 17950 4067 1 12 . 1 1 29 29 ARG C C 29 178.821 178.821 178.189 0.632 17950 4068 1 12 . 1 1 29 29 ARG CA C 29 59.381 59.381 58.979 0.402 17950 4069 1 12 . 1 1 29 29 ARG CB C 29 29.366 29.366 28.466 0.900 17950 4070 1 12 . 1 1 29 29 ARG H H 29 8.465 8.465 7.436 1.029 17950 4071 1 12 . 1 1 30 30 THR N N 30 118.439 118.439 116.519 1.920 17950 4072 1 12 . 1 1 30 30 THR HA H 30 3.594 3.594 4.022 -0.428 17950 4073 1 12 . 1 1 30 30 THR C C 30 176.351 176.351 176.937 -0.586 17950 4074 1 12 . 1 1 30 30 THR CA C 30 66.347 66.347 66.279 0.068 17950 4075 1 12 . 1 1 30 30 THR CB C 30 68.157 68.157 68.314 -0.157 17950 4076 1 12 . 1 1 30 30 THR H H 30 7.451 7.451 7.012 0.439 17950 4077 1 12 . 1 1 31 31 ILE N N 31 121.530 121.530 121.996 -0.466 17950 4078 1 12 . 1 1 31 31 ILE HA H 31 3.403 3.403 3.743 -0.340 17950 4079 1 12 . 1 1 31 31 ILE C C 31 176.326 176.326 177.384 -1.058 17950 4080 1 12 . 1 1 31 31 ILE CA C 31 66.885 66.885 65.349 1.536 17950 4081 1 12 . 1 1 31 31 ILE CB C 31 38.320 38.320 37.690 0.630 17950 4082 1 12 . 1 1 31 31 ILE H H 31 7.551 7.551 8.406 -0.855 17950 4083 1 12 . 1 1 32 32 LEU N N 32 113.721 113.721 118.306 -4.585 17950 4084 1 12 . 1 1 32 32 LEU HA H 32 3.871 3.871 4.187 -0.316 17950 4085 1 12 . 1 1 32 32 LEU C C 32 177.633 177.633 178.180 -0.547 17950 4086 1 12 . 1 1 32 32 LEU CA C 32 56.846 56.846 57.292 -0.446 17950 4087 1 12 . 1 1 32 32 LEU CB C 32 42.246 42.246 41.877 0.369 17950 4088 1 12 . 1 1 32 32 LEU H H 32 7.317 7.317 8.248 -0.931 17950 4089 1 12 . 1 1 33 33 SER N N 33 110.515 110.515 112.296 -1.781 17950 4090 1 12 . 1 1 33 33 SER HA H 33 4.442 4.442 4.347 0.095 17950 4091 1 12 . 1 1 33 33 SER C C 33 173.479 173.479 174.395 -0.916 17950 4092 1 12 . 1 1 33 33 SER CA C 33 58.210 58.210 59.967 -1.756 17950 4093 1 12 . 1 1 33 33 SER CB C 33 64.194 64.194 63.886 0.308 17950 4094 1 12 . 1 1 33 33 SER H H 33 7.389 7.389 7.678 -0.289 17950 4095 1 12 . 1 1 34 34 ASP N N 34 125.920 125.920 122.241 3.679 17950 4096 1 12 . 1 1 34 34 ASP HA H 34 4.617 4.617 4.604 0.013 17950 4097 1 12 . 1 1 34 34 ASP C C 34 178.020 178.020 177.379 0.641 17950 4098 1 12 . 1 1 34 34 ASP CA C 34 53.652 53.652 54.885 -1.233 17950 4099 1 12 . 1 1 34 34 ASP CB C 34 42.056 42.056 41.267 0.790 17950 4100 1 12 . 1 1 34 34 ASP H H 34 7.426 7.426 8.017 -0.591 17950 4101 1 12 . 1 1 35 35 THR N N 35 122.180 122.180 123.100 -0.920 17950 4102 1 12 . 1 1 35 35 THR HA H 35 4.223 4.223 4.050 0.173 17950 4103 1 12 . 1 1 35 35 THR C C 35 175.997 175.997 176.412 -0.415 17950 4104 1 12 . 1 1 35 35 THR CA C 35 64.686 64.686 65.907 -1.222 17950 4105 1 12 . 1 1 35 35 THR CB C 35 68.728 68.728 68.811 -0.083 17950 4106 1 12 . 1 1 35 35 THR H H 35 8.689 8.689 8.615 0.074 17950 4107 1 12 . 1 1 36 36 GLU N N 36 122.403 122.403 121.659 0.744 17950 4108 1 12 . 1 1 36 36 GLU HA H 36 3.698 3.698 3.957 -0.259 17950 4109 1 12 . 1 1 36 36 GLU C C 36 177.497 177.497 176.593 0.904 17950 4110 1 12 . 1 1 36 36 GLU CA C 36 59.317 59.317 58.713 0.604 17950 4111 1 12 . 1 1 36 36 GLU CB C 36 29.107 29.107 29.456 -0.349 17950 4112 1 12 . 1 1 36 36 GLU H H 36 8.818 8.818 7.963 0.855 17950 4113 1 12 . 1 1 37 37 PHE N N 37 114.348 114.348 114.739 -0.391 17950 4114 1 12 . 1 1 37 37 PHE HA H 37 4.857 4.857 4.755 0.102 17950 4115 1 12 . 1 1 37 37 PHE C C 37 177.191 177.191 175.068 2.123 17950 4116 1 12 . 1 1 37 37 PHE CA C 37 56.463 56.463 57.231 -0.768 17950 4117 1 12 . 1 1 37 37 PHE CB C 37 41.086 41.086 39.832 1.254 17950 4118 1 12 . 1 1 37 37 PHE H H 37 7.477 7.477 7.716 -0.239 17950 4119 1 12 . 1 1 38 38 SER N N 38 114.722 114.722 116.249 -1.527 17950 4120 1 12 . 1 1 38 38 SER HA H 38 3.822 3.822 4.537 -0.715 17950 4121 1 12 . 1 1 38 38 SER C C 38 176.516 176.516 175.290 1.226 17950 4122 1 12 . 1 1 38 38 SER CA C 38 61.996 61.996 59.546 2.450 17950 4123 1 12 . 1 1 38 38 SER CB C 38 62.761 62.761 63.890 -1.129 17950 4124 1 12 . 1 1 38 38 SER H H 38 8.546 8.546 7.807 0.739 17950 4125 1 12 . 1 1 39 39 LEU N N 39 121.277 121.277 120.167 1.110 17950 4126 1 12 . 1 1 39 39 LEU HA H 39 4.213 4.213 4.108 0.105 17950 4127 1 12 . 1 1 39 39 LEU C C 39 179.777 179.777 179.342 0.435 17950 4128 1 12 . 1 1 39 39 LEU CA C 39 57.171 57.171 57.596 -0.425 17950 4129 1 12 . 1 1 39 39 LEU CB C 39 41.340 41.340 42.080 -0.740 17950 4130 1 12 . 1 1 39 39 LEU H H 39 8.115 8.115 7.344 0.771 17950 4131 1 12 . 1 1 40 40 ILE N N 40 120.137 120.137 116.748 3.389 17950 4132 1 12 . 1 1 40 40 ILE HA H 40 3.701 3.701 3.944 -0.243 17950 4133 1 12 . 1 1 40 40 ILE C C 40 178.413 178.413 175.845 2.568 17950 4134 1 12 . 1 1 40 40 ILE CA C 40 63.624 63.624 63.154 0.470 17950 4135 1 12 . 1 1 40 40 ILE CB C 40 38.778 38.778 38.174 0.604 17950 4136 1 12 . 1 1 40 40 ILE H H 40 7.525 7.525 7.963 -0.438 17950 4137 1 12 . 1 1 41 41 LEU N N 41 117.023 117.023 116.289 0.734 17950 4138 1 12 . 1 1 41 41 LEU HA H 41 4.406 4.406 4.649 -0.243 17950 4139 1 12 . 1 1 41 41 LEU C C 41 176.196 176.196 176.518 -0.322 17950 4140 1 12 . 1 1 41 41 LEU CA C 41 54.256 54.256 53.400 0.856 17950 4141 1 12 . 1 1 41 41 LEU CB C 41 41.891 41.891 41.231 0.660 17950 4142 1 12 . 1 1 41 41 LEU H H 41 7.608 7.608 7.615 -0.007 17950 4143 1 12 . 1 1 42 42 LYS N N 42 116.369 116.369 118.159 -1.790 17950 4144 1 12 . 1 1 42 42 LYS HA H 42 4.050 4.050 4.126 -0.076 17950 4145 1 12 . 1 1 42 42 LYS C C 42 177.139 177.139 177.705 -0.566 17950 4146 1 12 . 1 1 42 42 LYS CA C 42 59.111 59.111 58.248 0.863 17950 4147 1 12 . 1 1 42 42 LYS CB C 42 32.553 32.553 32.201 0.352 17950 4148 1 12 . 1 1 42 42 LYS H H 42 6.645 6.645 7.328 -0.683 17950 4149 1 12 . 1 1 43 43 SER N N 43 115.061 115.061 113.959 1.102 17950 4150 1 12 . 1 1 43 43 SER HA H 43 4.407 4.407 4.329 0.078 17950 4151 1 12 . 1 1 43 43 SER C C 43 173.754 173.754 174.731 -0.977 17950 4152 1 12 . 1 1 43 43 SER CA C 43 58.850 58.850 60.103 -1.253 17950 4153 1 12 . 1 1 43 43 SER CB C 43 63.117 63.117 63.527 -0.410 17950 4154 1 12 . 1 1 43 43 SER H H 43 8.443 8.443 8.564 -0.121 17950 4155 1 12 . 1 1 44 44 ARG N N 44 119.658 119.658 119.204 0.454 17950 4156 1 12 . 1 1 44 44 ARG HA H 44 4.674 4.674 4.518 0.156 17950 4157 1 12 . 1 1 44 44 ARG C C 44 174.410 174.410 174.521 -0.111 17950 4158 1 12 . 1 1 44 44 ARG CA C 44 52.244 52.244 55.609 -3.365 17950 4159 1 12 . 1 1 44 44 ARG CB C 44 31.309 31.309 32.231 -0.922 17950 4160 1 12 . 1 1 44 44 ARG H H 44 8.036 8.036 7.122 0.914 17950 4161 1 12 . 1 1 45 45 SER N N 45 116.676 116.676 113.868 2.808 17950 4162 1 12 . 1 1 45 45 SER HA H 45 4.764 4.764 4.795 -0.031 17950 4163 1 12 . 1 1 45 45 SER C C 45 175.294 175.294 175.540 -0.246 17950 4164 1 12 . 1 1 45 45 SER CA C 45 55.857 55.857 56.710 -0.853 17950 4165 1 12 . 1 1 45 45 SER CB C 45 66.828 66.828 66.294 0.534 17950 4166 1 12 . 1 1 45 45 SER H H 45 9.180 9.180 8.249 0.930 17950 4167 1 12 . 1 1 46 46 ASN N N 46 118.004 118.004 120.347 -2.343 17950 4168 1 12 . 1 1 46 46 ASN HA H 46 3.954 3.954 4.460 -0.506 17950 4169 1 12 . 1 1 46 46 ASN C C 46 176.356 176.356 176.715 -0.359 17950 4170 1 12 . 1 1 46 46 ASN CA C 46 57.734 57.734 56.243 1.490 17950 4171 1 12 . 1 1 46 46 ASN CB C 46 36.901 36.901 37.481 -0.580 17950 4172 1 12 . 1 1 46 46 ASN H H 46 9.005 9.005 8.787 0.218 17950 4173 1 12 . 1 1 47 47 VAL N N 47 119.294 119.294 119.904 -0.610 17950 4174 1 12 . 1 1 47 47 VAL HA H 47 3.422 3.422 3.515 -0.093 17950 4175 1 12 . 1 1 47 47 VAL C C 47 176.899 176.899 178.234 -1.335 17950 4176 1 12 . 1 1 47 47 VAL CA C 47 65.439 65.439 65.900 -0.461 17950 4177 1 12 . 1 1 47 47 VAL CB C 47 31.863 31.863 30.911 0.952 17950 4178 1 12 . 1 1 47 47 VAL H H 47 7.329 7.329 7.945 -0.616 17950 4179 1 12 . 1 1 48 48 ASP N N 48 120.297 120.297 119.852 0.445 17950 4180 1 12 . 1 1 48 48 ASP HA H 48 4.358 4.358 4.491 -0.133 17950 4181 1 12 . 1 1 48 48 ASP C C 48 179.879 179.879 179.078 0.801 17950 4182 1 12 . 1 1 48 48 ASP CA C 48 57.162 57.162 56.870 0.292 17950 4183 1 12 . 1 1 48 48 ASP CB C 48 41.040 41.040 40.818 0.222 17950 4184 1 12 . 1 1 48 48 ASP H H 48 7.597 7.597 7.730 -0.133 17950 4185 1 12 . 1 1 49 49 LEU N N 49 119.624 119.624 120.686 -1.062 17950 4186 1 12 . 1 1 49 49 LEU HA H 49 3.824 3.824 4.025 -0.201 17950 4187 1 12 . 1 1 49 49 LEU C C 49 176.207 176.207 178.849 -2.642 17950 4188 1 12 . 1 1 49 49 LEU CA C 49 59.202 59.202 58.434 0.769 17950 4189 1 12 . 1 1 49 49 LEU CB C 49 41.113 41.113 41.656 -0.543 17950 4190 1 12 . 1 1 49 49 LEU H H 49 7.835 7.835 8.005 -0.170 17950 4191 1 12 . 1 1 50 50 LYS N N 50 119.306 119.306 117.769 1.537 17950 4192 1 12 . 1 1 50 50 LYS HA H 50 2.427 2.427 4.073 -1.646 17950 4193 1 12 . 1 1 50 50 LYS C C 50 178.745 178.745 178.822 -0.077 17950 4194 1 12 . 1 1 50 50 LYS CA C 50 59.310 59.310 59.432 -0.122 17950 4195 1 12 . 1 1 50 50 LYS CB C 50 31.906 31.906 31.701 0.205 17950 4196 1 12 . 1 1 50 50 LYS H H 50 6.788 6.788 8.123 -1.335 17950 4197 1 12 . 1 1 51 51 ASP N N 51 118.721 118.721 120.677 -1.956 17950 4198 1 12 . 1 1 51 51 ASP HA H 51 4.167 4.167 4.402 -0.235 17950 4199 1 12 . 1 1 51 51 ASP C C 51 178.461 178.461 178.349 0.112 17950 4200 1 12 . 1 1 51 51 ASP CA C 51 56.852 56.852 57.401 -0.549 17950 4201 1 12 . 1 1 51 51 ASP CB C 51 40.475 40.475 40.925 -0.450 17950 4202 1 12 . 1 1 51 51 ASP H H 51 8.203 8.203 7.834 0.369 17950 4203 1 12 . 1 1 52 52 LYS N N 52 121.009 121.009 119.766 1.243 17950 4204 1 12 . 1 1 52 52 LYS HA H 52 3.776 3.776 4.013 -0.237 17950 4205 1 12 . 1 1 52 52 LYS C C 52 178.328 178.328 178.841 -0.513 17950 4206 1 12 . 1 1 52 52 LYS CA C 52 56.841 56.841 59.534 -2.693 17950 4207 1 12 . 1 1 52 52 LYS CB C 52 31.473 31.473 32.263 -0.790 17950 4208 1 12 . 1 1 52 52 LYS H H 52 7.842 7.842 8.247 -0.405 17950 4209 1 12 . 1 1 53 53 TRP N N 53 119.577 119.577 120.778 -1.201 17950 4210 1 12 . 1 1 53 53 TRP HA H 53 4.121 4.121 4.257 -0.136 17950 4211 1 12 . 1 1 53 53 TRP C C 53 178.056 178.056 178.273 -0.217 17950 4212 1 12 . 1 1 53 53 TRP CA C 53 59.505 59.505 60.684 -1.179 17950 4213 1 12 . 1 1 53 53 TRP CB C 53 30.004 30.004 29.555 0.449 17950 4214 1 12 . 1 1 53 53 TRP H H 53 8.469 8.469 7.819 0.650 17950 4215 1 12 . 1 1 54 54 ARG N N 54 117.607 117.607 119.457 -1.850 17950 4216 1 12 . 1 1 54 54 ARG HA H 54 3.721 3.721 3.629 0.092 17950 4217 1 12 . 1 1 54 54 ARG C C 54 177.399 177.399 178.105 -0.706 17950 4218 1 12 . 1 1 54 54 ARG CA C 54 59.030 59.030 59.170 -0.140 17950 4219 1 12 . 1 1 54 54 ARG CB C 54 29.401 29.401 29.682 -0.281 17950 4220 1 12 . 1 1 54 54 ARG H H 54 7.527 7.527 8.096 -0.569 17950 4221 1 12 . 1 1 55 55 ASN N N 55 115.552 115.552 118.029 -2.477 17950 4222 1 12 . 1 1 55 55 ASN HA H 55 4.387 4.387 4.463 -0.076 17950 4223 1 12 . 1 1 55 55 ASN C C 55 176.869 176.869 177.762 -0.893 17950 4224 1 12 . 1 1 55 55 ASN CA C 55 55.320 55.320 55.851 -0.531 17950 4225 1 12 . 1 1 55 55 ASN CB C 55 39.679 39.679 38.313 1.366 17950 4226 1 12 . 1 1 55 55 ASN H H 55 7.242 7.242 8.092 -0.850 17950 4227 1 12 . 1 1 56 56 ILE N N 56 117.285 117.285 116.898 0.387 17950 4228 1 12 . 1 1 56 56 ILE HA H 56 3.768 3.768 3.861 -0.093 17950 4229 1 12 . 1 1 56 56 ILE C C 56 176.781 176.781 176.139 0.642 17950 4230 1 12 . 1 1 56 56 ILE CA C 56 62.932 62.932 63.165 -0.233 17950 4231 1 12 . 1 1 56 56 ILE CB C 56 38.341 38.341 38.187 0.154 17950 4232 1 12 . 1 1 56 56 ILE H H 56 7.760 7.760 7.418 0.342 17950 4233 1 12 . 1 1 57 57 SER N N 57 116.184 116.184 113.867 2.317 17950 4234 1 12 . 1 1 57 57 SER HA H 57 3.676 3.676 4.090 -0.414 17950 4235 1 12 . 1 1 57 57 SER C C 57 174.964 174.964 176.363 -1.399 17950 4236 1 12 . 1 1 57 57 SER CA C 57 59.435 59.435 60.103 -0.668 17950 4237 1 12 . 1 1 57 57 SER CB C 57 63.062 63.062 63.060 0.002 17950 4238 1 12 . 1 1 57 57 SER H H 57 7.635 7.635 7.280 0.355 17950 4239 1 12 . 1 1 58 58 VAL N N 58 119.671 119.671 120.033 -0.362 17950 4240 1 12 . 1 1 58 58 VAL HA H 58 3.959 3.959 3.828 0.131 17950 4241 1 12 . 1 1 58 58 VAL C C 58 176.787 176.787 175.911 0.876 17950 4242 1 12 . 1 1 58 58 VAL CA C 58 63.249 63.249 65.082 -1.833 17950 4243 1 12 . 1 1 58 58 VAL CB C 58 31.964 31.964 31.952 0.012 17950 4244 1 12 . 1 1 58 58 VAL H H 58 7.454 7.454 7.768 -0.314 17950 4245 1 12 . 1 1 59 59 THR N N 59 114.912 114.912 113.880 1.032 17950 4246 1 12 . 1 1 59 59 THR HA H 59 3.924 3.924 4.557 -0.633 17950 4247 1 12 . 1 1 59 59 THR C C 59 174.839 174.839 173.397 1.442 17950 4248 1 12 . 1 1 59 59 THR CA C 59 62.616 62.616 61.287 1.329 17950 4249 1 12 . 1 1 59 59 THR CB C 59 69.358 69.358 67.956 1.402 17950 4250 1 12 . 1 1 59 59 THR H H 59 7.681 7.681 7.612 0.069 17950 4251 1 12 . 1 1 60 60 ALA N N 60 124.969 124.969 129.247 -4.278 17950 4252 1 12 . 1 1 60 60 ALA HA H 60 4.094 4.094 4.541 -0.447 17950 4253 1 12 . 1 1 60 60 ALA C C 60 177.636 177.636 177.747 -0.111 17950 4254 1 12 . 1 1 60 60 ALA CA C 60 52.909 52.909 53.327 -0.418 17950 4255 1 12 . 1 1 60 60 ALA CB C 60 18.757 18.757 19.589 -0.832 17950 4256 1 12 . 1 1 60 60 ALA H H 60 7.939 7.939 8.001 -0.062 17950 4257 1 12 . 1 1 61 61 LEU N N 61 119.572 119.572 114.696 4.876 17950 4258 1 12 . 1 1 61 61 LEU HA H 61 4.150 4.150 4.438 -0.288 17950 4259 1 12 . 1 1 61 61 LEU C C 61 177.260 177.260 178.076 -0.816 17950 4260 1 12 . 1 1 61 61 LEU CA C 61 55.183 55.183 56.602 -1.419 17950 4261 1 12 . 1 1 61 61 LEU CB C 61 41.901 41.901 41.228 0.673 17950 4262 1 12 . 1 1 61 61 LEU H H 61 7.812 7.812 7.975 -0.163 17950 4263 1 12 . 1 1 62 62 TRP N N 62 120.635 120.635 121.828 -1.193 17950 4264 1 12 . 1 1 62 62 TRP HA H 62 4.617 4.617 4.368 0.249 17950 4265 1 12 . 1 1 62 62 TRP C C 62 176.752 176.752 178.524 -1.772 17950 4266 1 12 . 1 1 62 62 TRP CA C 62 57.262 57.262 59.584 -2.321 17950 4267 1 12 . 1 1 62 62 TRP CB C 62 29.579 29.579 28.856 0.723 17950 4268 1 12 . 1 1 62 62 TRP H H 62 7.851 7.851 8.048 -0.197 17950 4269 1 12 . 1 1 63 63 GLY N N 63 110.695 110.695 104.784 5.911 17950 4270 1 12 . 1 1 63 63 GLY C C 63 173.238 173.238 175.137 -1.899 17950 4271 1 12 . 1 1 63 63 GLY CA C 63 45.357 45.357 45.333 0.024 17950 4272 1 12 . 1 1 63 63 GLY H H 63 8.132 8.132 8.505 -0.373 17950 4273 1 13 . 1 1 2 2 GLY N N 2 110.542 110.542 110.549 -0.007 17950 4274 1 13 . 1 1 2 2 GLY C C 2 173.237 173.237 172.174 1.063 17950 4275 1 13 . 1 1 2 2 GLY CA C 2 44.918 44.918 44.972 -0.054 17950 4276 1 13 . 1 1 2 2 GLY H H 2 8.335 8.335 8.730 -0.395 17950 4277 1 13 . 1 1 3 3 ALA N N 3 124.917 124.917 121.681 3.236 17950 4278 1 13 . 1 1 3 3 ALA HA H 3 4.513 4.513 4.721 -0.208 17950 4279 1 13 . 1 1 3 3 ALA CA C 3 50.370 50.370 51.580 -1.210 17950 4280 1 13 . 1 1 3 3 ALA CB C 3 18.052 18.052 19.456 -1.404 17950 4281 1 13 . 1 1 3 3 ALA H H 3 8.069 8.069 8.224 -0.155 17950 4282 1 13 . 1 1 4 4 PRO HA H 4 4.341 4.341 4.393 -0.052 17950 4283 1 13 . 1 1 4 4 PRO C C 4 177.068 177.068 176.743 0.325 17950 4284 1 13 . 1 1 4 4 PRO CA C 4 63.007 63.007 63.542 -0.535 17950 4285 1 13 . 1 1 4 4 PRO CB C 4 32.015 32.015 31.993 0.022 17950 4286 1 13 . 1 1 5 5 LYS N N 5 121.494 121.494 121.017 0.477 17950 4287 1 13 . 1 1 5 5 LYS HA H 5 4.180 4.180 4.284 -0.104 17950 4288 1 13 . 1 1 5 5 LYS C C 5 176.697 176.697 176.317 0.380 17950 4289 1 13 . 1 1 5 5 LYS CA C 5 56.140 56.140 55.941 0.199 17950 4290 1 13 . 1 1 5 5 LYS CB C 5 32.871 32.871 31.105 1.766 17950 4291 1 13 . 1 1 5 5 LYS H H 5 8.376 8.376 8.051 0.325 17950 4292 1 13 . 1 1 6 6 GLN N N 6 121.572 121.572 121.795 -0.223 17950 4293 1 13 . 1 1 6 6 GLN HA H 6 4.230 4.230 4.243 -0.013 17950 4294 1 13 . 1 1 6 6 GLN C C 6 176.847 176.847 174.702 2.145 17950 4295 1 13 . 1 1 6 6 GLN CA C 6 55.634 55.634 55.889 -0.255 17950 4296 1 13 . 1 1 6 6 GLN CB C 6 29.290 29.290 31.279 -1.990 17950 4297 1 13 . 1 1 6 6 GLN H H 6 8.438 8.438 7.996 0.442 17950 4298 1 13 . 1 1 7 7 LYS N N 7 125.757 125.757 120.178 5.579 17950 4299 1 13 . 1 1 7 7 LYS HA H 7 4.259 4.259 4.545 -0.286 17950 4300 1 13 . 1 1 7 7 LYS C C 7 176.770 176.770 175.589 1.181 17950 4301 1 13 . 1 1 7 7 LYS CA C 7 56.899 56.899 56.792 0.107 17950 4302 1 13 . 1 1 7 7 LYS CB C 7 32.782 32.782 34.044 -1.262 17950 4303 1 13 . 1 1 7 7 LYS H H 7 8.500 8.500 8.381 0.119 17950 4304 1 13 . 1 1 8 8 TRP N N 8 125.581 125.581 120.750 4.831 17950 4305 1 13 . 1 1 8 8 TRP HA H 8 4.504 4.504 4.985 -0.481 17950 4306 1 13 . 1 1 8 8 TRP C C 8 177.459 177.459 175.019 2.440 17950 4307 1 13 . 1 1 8 8 TRP CA C 8 57.777 57.777 55.874 1.903 17950 4308 1 13 . 1 1 8 8 TRP CB C 8 28.836 28.836 30.996 -2.160 17950 4309 1 13 . 1 1 8 8 TRP H H 8 8.959 8.959 7.145 1.814 17950 4310 1 13 . 1 1 9 9 THR N N 9 115.986 115.986 112.577 3.409 17950 4311 1 13 . 1 1 9 9 THR HA H 9 4.759 4.759 4.895 -0.136 17950 4312 1 13 . 1 1 9 9 THR CA C 9 59.565 59.565 58.501 1.064 17950 4313 1 13 . 1 1 9 9 THR CB C 9 68.786 68.786 70.003 -1.217 17950 4314 1 13 . 1 1 9 9 THR H H 9 9.105 9.105 8.505 0.600 17950 4315 1 13 . 1 1 10 10 PRO HA H 10 4.369 4.369 4.668 -0.299 17950 4316 1 13 . 1 1 10 10 PRO C C 10 180.115 180.115 178.762 1.353 17950 4317 1 13 . 1 1 10 10 PRO CA C 10 65.387 65.387 64.788 0.599 17950 4318 1 13 . 1 1 10 10 PRO CB C 10 31.739 31.739 32.271 -0.532 17950 4319 1 13 . 1 1 11 11 GLU N N 11 118.329 118.329 118.784 -0.455 17950 4320 1 13 . 1 1 11 11 GLU HA H 11 4.065 4.065 4.104 -0.039 17950 4321 1 13 . 1 1 11 11 GLU C C 11 180.122 180.122 179.026 1.096 17950 4322 1 13 . 1 1 11 11 GLU CA C 11 60.640 60.640 60.505 0.135 17950 4323 1 13 . 1 1 11 11 GLU CB C 11 28.680 28.680 29.377 -0.697 17950 4324 1 13 . 1 1 11 11 GLU H H 11 9.009 9.009 9.137 -0.128 17950 4325 1 13 . 1 1 12 12 GLU N N 12 121.178 121.178 118.529 2.649 17950 4326 1 13 . 1 1 12 12 GLU HA H 12 3.857 3.857 4.093 -0.236 17950 4327 1 13 . 1 1 12 12 GLU C C 12 179.021 179.021 178.995 0.026 17950 4328 1 13 . 1 1 12 12 GLU CA C 12 59.900 59.900 59.337 0.563 17950 4329 1 13 . 1 1 12 12 GLU CB C 12 32.276 32.276 29.526 2.750 17950 4330 1 13 . 1 1 12 12 GLU H H 12 7.952 7.952 7.857 0.095 17950 4331 1 13 . 1 1 13 13 GLU N N 13 118.771 118.771 120.340 -1.569 17950 4332 1 13 . 1 1 13 13 GLU HA H 13 3.928 3.928 4.030 -0.102 17950 4333 1 13 . 1 1 13 13 GLU C C 13 178.499 178.499 178.970 -0.471 17950 4334 1 13 . 1 1 13 13 GLU CA C 13 61.052 61.052 59.361 1.691 17950 4335 1 13 . 1 1 13 13 GLU CB C 13 29.552 29.552 29.488 0.064 17950 4336 1 13 . 1 1 13 13 GLU H H 13 8.446 8.446 7.595 0.851 17950 4337 1 13 . 1 1 14 14 ALA N N 14 120.274 120.274 121.066 -0.792 17950 4338 1 13 . 1 1 14 14 ALA HA H 14 4.095 4.095 4.089 0.006 17950 4339 1 13 . 1 1 14 14 ALA C C 14 180.719 180.719 179.613 1.106 17950 4340 1 13 . 1 1 14 14 ALA CA C 14 55.053 55.053 54.947 0.106 17950 4341 1 13 . 1 1 14 14 ALA CB C 14 18.019 18.019 18.140 -0.121 17950 4342 1 13 . 1 1 14 14 ALA H H 14 8.434 8.434 8.539 -0.105 17950 4343 1 13 . 1 1 15 15 ALA N N 15 122.356 122.356 121.764 0.592 17950 4344 1 13 . 1 1 15 15 ALA HA H 15 4.381 4.381 3.955 0.426 17950 4345 1 13 . 1 1 15 15 ALA C C 15 178.553 178.553 179.345 -0.792 17950 4346 1 13 . 1 1 15 15 ALA CA C 15 54.786 54.786 54.733 0.053 17950 4347 1 13 . 1 1 15 15 ALA CB C 15 18.779 18.779 18.317 0.462 17950 4348 1 13 . 1 1 15 15 ALA H H 15 7.900 7.900 7.697 0.203 17950 4349 1 13 . 1 1 16 16 LEU N N 16 118.626 118.626 120.147 -1.521 17950 4350 1 13 . 1 1 16 16 LEU HA H 16 3.921 3.921 3.943 -0.022 17950 4351 1 13 . 1 1 16 16 LEU C C 16 177.536 177.536 178.612 -1.076 17950 4352 1 13 . 1 1 16 16 LEU CA C 16 58.384 58.384 58.334 0.050 17950 4353 1 13 . 1 1 16 16 LEU CB C 16 42.189 42.189 42.164 0.025 17950 4354 1 13 . 1 1 16 16 LEU H H 16 8.182 8.182 7.899 0.283 17950 4355 1 13 . 1 1 17 17 LYS N N 17 117.009 117.009 118.949 -1.940 17950 4356 1 13 . 1 1 17 17 LYS HA H 17 3.906 3.906 3.962 -0.056 17950 4357 1 13 . 1 1 17 17 LYS C C 17 178.796 178.796 178.927 -0.131 17950 4358 1 13 . 1 1 17 17 LYS CA C 17 60.496 60.496 59.792 0.704 17950 4359 1 13 . 1 1 17 17 LYS CB C 17 32.720 32.720 31.909 0.811 17950 4360 1 13 . 1 1 17 17 LYS H H 17 8.029 8.029 8.179 -0.150 17950 4361 1 13 . 1 1 18 18 ALA N N 18 121.422 121.422 120.669 0.753 17950 4362 1 13 . 1 1 18 18 ALA HA H 18 4.021 4.021 4.066 -0.045 17950 4363 1 13 . 1 1 18 18 ALA C C 18 180.627 180.627 179.706 0.921 17950 4364 1 13 . 1 1 18 18 ALA CA C 18 54.752 54.752 54.950 -0.198 17950 4365 1 13 . 1 1 18 18 ALA CB C 18 18.405 18.405 18.015 0.390 17950 4366 1 13 . 1 1 18 18 ALA H H 18 8.174 8.174 7.946 0.228 17950 4367 1 13 . 1 1 19 19 GLY N N 19 110.862 110.862 106.276 4.586 17950 4368 1 13 . 1 1 19 19 GLY C C 19 174.803 174.803 176.156 -1.353 17950 4369 1 13 . 1 1 19 19 GLY CA C 19 47.190 47.190 46.723 0.467 17950 4370 1 13 . 1 1 19 19 GLY H H 19 8.503 8.503 7.519 0.984 17950 4371 1 13 . 1 1 20 20 VAL N N 20 123.677 123.677 121.935 1.742 17950 4372 1 13 . 1 1 20 20 VAL HA H 20 3.166 3.166 4.019 -0.853 17950 4373 1 13 . 1 1 20 20 VAL C C 20 179.632 179.632 177.135 2.497 17950 4374 1 13 . 1 1 20 20 VAL CA C 20 65.603 65.603 65.873 -0.270 17950 4375 1 13 . 1 1 20 20 VAL CB C 20 30.946 30.946 32.230 -1.284 17950 4376 1 13 . 1 1 20 20 VAL H H 20 8.106 8.106 7.589 0.517 17950 4377 1 13 . 1 1 21 21 LEU N N 21 122.348 122.348 118.307 4.041 17950 4378 1 13 . 1 1 21 21 LEU HA H 21 3.894 3.894 4.130 -0.236 17950 4379 1 13 . 1 1 21 21 LEU C C 21 178.085 178.085 178.527 -0.442 17950 4380 1 13 . 1 1 21 21 LEU CA C 21 58.028 58.028 57.235 0.793 17950 4381 1 13 . 1 1 21 21 LEU CB C 21 41.401 41.401 41.925 -0.524 17950 4382 1 13 . 1 1 21 21 LEU H H 21 7.817 7.817 7.521 0.296 17950 4383 1 13 . 1 1 22 22 LYS N N 22 117.663 117.663 118.082 -0.419 17950 4384 1 13 . 1 1 22 22 LYS HA H 22 3.837 3.837 4.032 -0.195 17950 4385 1 13 . 1 1 22 22 LYS C C 22 177.740 177.740 178.373 -0.633 17950 4386 1 13 . 1 1 22 22 LYS CA C 22 59.206 59.206 58.804 0.402 17950 4387 1 13 . 1 1 22 22 LYS CB C 22 35.176 35.176 32.349 2.828 17950 4388 1 13 . 1 1 22 22 LYS H H 22 7.520 7.520 7.702 -0.182 17950 4389 1 13 . 1 1 23 23 HIS N N 23 113.904 113.904 113.229 0.675 17950 4390 1 13 . 1 1 23 23 HIS HA H 23 4.625 4.625 4.632 -0.007 17950 4391 1 13 . 1 1 23 23 HIS C C 23 176.122 176.122 175.437 0.685 17950 4392 1 13 . 1 1 23 23 HIS CA C 23 57.211 57.211 56.853 0.357 17950 4393 1 13 . 1 1 23 23 HIS CB C 23 33.414 33.414 33.086 0.328 17950 4394 1 13 . 1 1 23 23 HIS H H 23 8.311 8.311 7.745 0.566 17950 4395 1 13 . 1 1 24 24 GLY N N 24 110.098 110.098 105.849 4.249 17950 4396 1 13 . 1 1 24 24 GLY C C 24 173.041 173.041 172.466 0.575 17950 4397 1 13 . 1 1 24 24 GLY CA C 24 43.563 43.563 45.548 -1.985 17950 4398 1 13 . 1 1 24 24 GLY H H 24 8.158 8.158 7.854 0.304 17950 4399 1 13 . 1 1 25 25 THR N N 25 108.590 108.590 111.584 -2.994 17950 4400 1 13 . 1 1 25 25 THR HA H 25 3.123 3.123 4.090 -0.967 17950 4401 1 13 . 1 1 25 25 THR C C 25 174.866 174.866 173.696 1.170 17950 4402 1 13 . 1 1 25 25 THR CA C 25 61.992 61.992 60.825 1.167 17950 4403 1 13 . 1 1 25 25 THR CB C 25 69.110 69.110 68.223 0.887 17950 4404 1 13 . 1 1 25 25 THR H H 25 7.826 7.826 8.194 -0.368 17950 4405 1 13 . 1 1 26 26 GLY N N 26 106.794 106.794 108.051 -1.257 17950 4406 1 13 . 1 1 26 26 GLY C C 26 173.988 173.988 173.672 0.316 17950 4407 1 13 . 1 1 26 26 GLY CA C 26 45.639 45.639 44.380 1.259 17950 4408 1 13 . 1 1 26 26 GLY H H 26 5.553 5.553 7.524 -1.971 17950 4409 1 13 . 1 1 27 27 LYS N N 27 122.617 122.617 120.939 1.678 17950 4410 1 13 . 1 1 27 27 LYS HA H 27 4.499 4.499 4.387 0.112 17950 4411 1 13 . 1 1 27 27 LYS C C 27 176.586 176.586 175.777 0.809 17950 4412 1 13 . 1 1 27 27 LYS CA C 27 53.590 53.590 54.864 -1.274 17950 4413 1 13 . 1 1 27 27 LYS CB C 27 30.298 30.298 31.193 -0.895 17950 4414 1 13 . 1 1 27 27 LYS H H 27 7.025 7.025 7.217 -0.192 17950 4415 1 13 . 1 1 28 28 TRP N N 28 119.816 119.816 123.052 -3.236 17950 4416 1 13 . 1 1 28 28 TRP HA H 28 4.130 4.130 4.311 -0.181 17950 4417 1 13 . 1 1 28 28 TRP C C 28 178.012 178.012 177.944 0.068 17950 4418 1 13 . 1 1 28 28 TRP CA C 28 58.414 58.414 59.691 -1.277 17950 4419 1 13 . 1 1 28 28 TRP CB C 28 30.008 30.008 29.198 0.810 17950 4420 1 13 . 1 1 28 28 TRP H H 28 6.384 6.384 7.611 -1.227 17950 4421 1 13 . 1 1 29 29 ARG N N 29 115.616 115.616 119.246 -3.630 17950 4422 1 13 . 1 1 29 29 ARG HA H 29 3.963 3.963 4.155 -0.192 17950 4423 1 13 . 1 1 29 29 ARG C C 29 178.821 178.821 177.791 1.030 17950 4424 1 13 . 1 1 29 29 ARG CA C 29 59.381 59.381 59.382 -0.001 17950 4425 1 13 . 1 1 29 29 ARG CB C 29 29.366 29.366 29.151 0.215 17950 4426 1 13 . 1 1 29 29 ARG H H 29 8.465 8.465 8.551 -0.086 17950 4427 1 13 . 1 1 30 30 THR N N 30 118.439 118.439 115.758 2.681 17950 4428 1 13 . 1 1 30 30 THR HA H 30 3.594 3.594 4.001 -0.407 17950 4429 1 13 . 1 1 30 30 THR C C 30 176.351 176.351 176.451 -0.100 17950 4430 1 13 . 1 1 30 30 THR CA C 30 66.347 66.347 66.952 -0.605 17950 4431 1 13 . 1 1 30 30 THR CB C 30 68.157 68.157 68.260 -0.103 17950 4432 1 13 . 1 1 30 30 THR H H 30 7.451 7.451 7.917 -0.466 17950 4433 1 13 . 1 1 31 31 ILE N N 31 121.530 121.530 121.105 0.425 17950 4434 1 13 . 1 1 31 31 ILE HA H 31 3.403 3.403 3.869 -0.466 17950 4435 1 13 . 1 1 31 31 ILE C C 31 176.326 176.326 177.094 -0.768 17950 4436 1 13 . 1 1 31 31 ILE CA C 31 66.885 66.885 65.320 1.565 17950 4437 1 13 . 1 1 31 31 ILE CB C 31 38.320 38.320 37.870 0.450 17950 4438 1 13 . 1 1 31 31 ILE H H 31 7.551 7.551 7.714 -0.163 17950 4439 1 13 . 1 1 32 32 LEU N N 32 113.721 113.721 118.312 -4.591 17950 4440 1 13 . 1 1 32 32 LEU HA H 32 3.871 3.871 4.337 -0.466 17950 4441 1 13 . 1 1 32 32 LEU C C 32 177.633 177.633 177.914 -0.281 17950 4442 1 13 . 1 1 32 32 LEU CA C 32 56.846 56.846 56.280 0.566 17950 4443 1 13 . 1 1 32 32 LEU CB C 32 42.246 42.246 42.602 -0.356 17950 4444 1 13 . 1 1 32 32 LEU H H 32 7.317 7.317 7.927 -0.610 17950 4445 1 13 . 1 1 33 33 SER N N 33 110.515 110.515 112.849 -2.334 17950 4446 1 13 . 1 1 33 33 SER HA H 33 4.442 4.442 4.310 0.132 17950 4447 1 13 . 1 1 33 33 SER C C 33 173.479 173.479 174.684 -1.205 17950 4448 1 13 . 1 1 33 33 SER CA C 33 58.210 58.210 59.825 -1.615 17950 4449 1 13 . 1 1 33 33 SER CB C 33 64.194 64.194 63.958 0.236 17950 4450 1 13 . 1 1 33 33 SER H H 33 7.389 7.389 7.727 -0.338 17950 4451 1 13 . 1 1 34 34 ASP N N 34 125.920 125.920 122.603 3.317 17950 4452 1 13 . 1 1 34 34 ASP HA H 34 4.617 4.617 4.605 0.012 17950 4453 1 13 . 1 1 34 34 ASP C C 34 178.020 178.020 177.545 0.475 17950 4454 1 13 . 1 1 34 34 ASP CA C 34 53.652 53.652 54.477 -0.825 17950 4455 1 13 . 1 1 34 34 ASP CB C 34 42.056 42.056 41.250 0.806 17950 4456 1 13 . 1 1 34 34 ASP H H 34 7.426 7.426 8.208 -0.782 17950 4457 1 13 . 1 1 35 35 THR N N 35 122.180 122.180 123.222 -1.042 17950 4458 1 13 . 1 1 35 35 THR HA H 35 4.223 4.223 3.922 0.301 17950 4459 1 13 . 1 1 35 35 THR C C 35 175.997 175.997 176.446 -0.449 17950 4460 1 13 . 1 1 35 35 THR CA C 35 64.686 64.686 66.369 -1.683 17950 4461 1 13 . 1 1 35 35 THR CB C 35 68.728 68.728 68.861 -0.133 17950 4462 1 13 . 1 1 35 35 THR H H 35 8.689 8.689 8.562 0.127 17950 4463 1 13 . 1 1 36 36 GLU N N 36 122.403 122.403 122.022 0.381 17950 4464 1 13 . 1 1 36 36 GLU HA H 36 3.698 3.698 3.868 -0.170 17950 4465 1 13 . 1 1 36 36 GLU C C 36 177.497 177.497 176.498 0.999 17950 4466 1 13 . 1 1 36 36 GLU CA C 36 59.317 59.317 58.635 0.682 17950 4467 1 13 . 1 1 36 36 GLU CB C 36 29.107 29.107 29.246 -0.139 17950 4468 1 13 . 1 1 36 36 GLU H H 36 8.818 8.818 8.034 0.784 17950 4469 1 13 . 1 1 37 37 PHE N N 37 114.348 114.348 114.496 -0.148 17950 4470 1 13 . 1 1 37 37 PHE HA H 37 4.857 4.857 4.824 0.033 17950 4471 1 13 . 1 1 37 37 PHE C C 37 177.191 177.191 174.984 2.207 17950 4472 1 13 . 1 1 37 37 PHE CA C 37 56.463 56.463 56.670 -0.207 17950 4473 1 13 . 1 1 37 37 PHE CB C 37 41.086 41.086 39.448 1.638 17950 4474 1 13 . 1 1 37 37 PHE H H 37 7.477 7.477 7.853 -0.376 17950 4475 1 13 . 1 1 38 38 SER N N 38 114.722 114.722 116.772 -2.050 17950 4476 1 13 . 1 1 38 38 SER HA H 38 3.822 3.822 4.627 -0.805 17950 4477 1 13 . 1 1 38 38 SER C C 38 176.516 176.516 175.599 0.917 17950 4478 1 13 . 1 1 38 38 SER CA C 38 61.996 61.996 60.310 1.686 17950 4479 1 13 . 1 1 38 38 SER CB C 38 62.761 62.761 64.300 -1.540 17950 4480 1 13 . 1 1 38 38 SER H H 38 8.546 8.546 7.972 0.574 17950 4481 1 13 . 1 1 39 39 LEU N N 39 121.277 121.277 120.577 0.700 17950 4482 1 13 . 1 1 39 39 LEU HA H 39 4.213 4.213 4.179 0.034 17950 4483 1 13 . 1 1 39 39 LEU C C 39 179.777 179.777 179.341 0.436 17950 4484 1 13 . 1 1 39 39 LEU CA C 39 57.171 57.171 57.529 -0.358 17950 4485 1 13 . 1 1 39 39 LEU CB C 39 41.340 41.340 42.385 -1.045 17950 4486 1 13 . 1 1 39 39 LEU H H 39 8.115 8.115 7.264 0.851 17950 4487 1 13 . 1 1 40 40 ILE N N 40 120.137 120.137 116.804 3.333 17950 4488 1 13 . 1 1 40 40 ILE HA H 40 3.701 3.701 3.992 -0.291 17950 4489 1 13 . 1 1 40 40 ILE C C 40 178.413 178.413 176.559 1.854 17950 4490 1 13 . 1 1 40 40 ILE CA C 40 63.624 63.624 63.128 0.496 17950 4491 1 13 . 1 1 40 40 ILE CB C 40 38.778 38.778 38.166 0.612 17950 4492 1 13 . 1 1 40 40 ILE H H 40 7.525 7.525 8.094 -0.569 17950 4493 1 13 . 1 1 41 41 LEU N N 41 117.023 117.023 116.157 0.866 17950 4494 1 13 . 1 1 41 41 LEU HA H 41 4.406 4.406 4.736 -0.330 17950 4495 1 13 . 1 1 41 41 LEU C C 41 176.196 176.196 175.935 0.261 17950 4496 1 13 . 1 1 41 41 LEU CA C 41 54.256 54.256 53.239 1.017 17950 4497 1 13 . 1 1 41 41 LEU CB C 41 41.891 41.891 41.022 0.869 17950 4498 1 13 . 1 1 41 41 LEU H H 41 7.608 7.608 7.749 -0.141 17950 4499 1 13 . 1 1 42 42 LYS N N 42 116.369 116.369 117.996 -1.627 17950 4500 1 13 . 1 1 42 42 LYS HA H 42 4.050 4.050 4.256 -0.206 17950 4501 1 13 . 1 1 42 42 LYS C C 42 177.139 177.139 177.463 -0.324 17950 4502 1 13 . 1 1 42 42 LYS CA C 42 59.111 59.111 57.514 1.597 17950 4503 1 13 . 1 1 42 42 LYS CB C 42 32.553 32.553 32.491 0.062 17950 4504 1 13 . 1 1 42 42 LYS H H 42 6.645 6.645 7.457 -0.812 17950 4505 1 13 . 1 1 43 43 SER N N 43 115.061 115.061 114.573 0.488 17950 4506 1 13 . 1 1 43 43 SER HA H 43 4.407 4.407 4.364 0.043 17950 4507 1 13 . 1 1 43 43 SER C C 43 173.754 173.754 174.658 -0.904 17950 4508 1 13 . 1 1 43 43 SER CA C 43 58.850 58.850 60.025 -1.175 17950 4509 1 13 . 1 1 43 43 SER CB C 43 63.117 63.117 63.271 -0.154 17950 4510 1 13 . 1 1 43 43 SER H H 43 8.443 8.443 8.437 0.006 17950 4511 1 13 . 1 1 44 44 ARG N N 44 119.658 119.658 119.186 0.472 17950 4512 1 13 . 1 1 44 44 ARG HA H 44 4.674 4.674 4.598 0.076 17950 4513 1 13 . 1 1 44 44 ARG C C 44 174.410 174.410 174.488 -0.078 17950 4514 1 13 . 1 1 44 44 ARG CA C 44 52.244 52.244 54.750 -2.506 17950 4515 1 13 . 1 1 44 44 ARG CB C 44 31.309 31.309 31.792 -0.483 17950 4516 1 13 . 1 1 44 44 ARG H H 44 8.036 8.036 7.760 0.276 17950 4517 1 13 . 1 1 45 45 SER N N 45 116.676 116.676 112.777 3.899 17950 4518 1 13 . 1 1 45 45 SER HA H 45 4.764 4.764 4.745 0.019 17950 4519 1 13 . 1 1 45 45 SER C C 45 175.294 175.294 175.339 -0.045 17950 4520 1 13 . 1 1 45 45 SER CA C 45 55.857 55.857 56.469 -0.612 17950 4521 1 13 . 1 1 45 45 SER CB C 45 66.828 66.828 65.482 1.346 17950 4522 1 13 . 1 1 45 45 SER H H 45 9.180 9.180 8.386 0.794 17950 4523 1 13 . 1 1 46 46 ASN N N 46 118.004 118.004 120.150 -2.146 17950 4524 1 13 . 1 1 46 46 ASN HA H 46 3.954 3.954 4.479 -0.525 17950 4525 1 13 . 1 1 46 46 ASN C C 46 176.356 176.356 177.054 -0.698 17950 4526 1 13 . 1 1 46 46 ASN CA C 46 57.734 57.734 56.117 1.617 17950 4527 1 13 . 1 1 46 46 ASN CB C 46 36.901 36.901 37.710 -0.809 17950 4528 1 13 . 1 1 46 46 ASN H H 46 9.005 9.005 8.772 0.233 17950 4529 1 13 . 1 1 47 47 VAL N N 47 119.294 119.294 118.921 0.373 17950 4530 1 13 . 1 1 47 47 VAL HA H 47 3.422 3.422 3.717 -0.295 17950 4531 1 13 . 1 1 47 47 VAL C C 47 176.899 176.899 177.282 -0.383 17950 4532 1 13 . 1 1 47 47 VAL CA C 47 65.439 65.439 65.209 0.230 17950 4533 1 13 . 1 1 47 47 VAL CB C 47 31.863 31.863 31.281 0.582 17950 4534 1 13 . 1 1 47 47 VAL H H 47 7.329 7.329 8.112 -0.783 17950 4535 1 13 . 1 1 48 48 ASP N N 48 120.297 120.297 119.911 0.386 17950 4536 1 13 . 1 1 48 48 ASP HA H 48 4.358 4.358 4.407 -0.049 17950 4537 1 13 . 1 1 48 48 ASP C C 48 179.879 179.879 178.742 1.137 17950 4538 1 13 . 1 1 48 48 ASP CA C 48 57.162 57.162 58.006 -0.844 17950 4539 1 13 . 1 1 48 48 ASP CB C 48 41.040 41.040 40.640 0.400 17950 4540 1 13 . 1 1 48 48 ASP H H 48 7.597 7.597 7.717 -0.120 17950 4541 1 13 . 1 1 49 49 LEU N N 49 119.624 119.624 119.689 -0.065 17950 4542 1 13 . 1 1 49 49 LEU HA H 49 3.824 3.824 4.039 -0.215 17950 4543 1 13 . 1 1 49 49 LEU C C 49 176.207 176.207 178.323 -2.116 17950 4544 1 13 . 1 1 49 49 LEU CA C 49 59.202 59.202 57.784 1.418 17950 4545 1 13 . 1 1 49 49 LEU CB C 49 41.113 41.113 41.349 -0.236 17950 4546 1 13 . 1 1 49 49 LEU H H 49 7.835 7.835 7.206 0.629 17950 4547 1 13 . 1 1 50 50 LYS N N 50 119.306 119.306 119.500 -0.194 17950 4548 1 13 . 1 1 50 50 LYS HA H 50 2.427 2.427 2.503 -0.076 17950 4549 1 13 . 1 1 50 50 LYS C C 50 178.745 178.745 178.197 0.548 17950 4550 1 13 . 1 1 50 50 LYS CA C 50 59.310 59.310 59.147 0.163 17950 4551 1 13 . 1 1 50 50 LYS CB C 50 31.906 31.906 31.755 0.151 17950 4552 1 13 . 1 1 50 50 LYS H H 50 6.788 6.788 7.495 -0.707 17950 4553 1 13 . 1 1 51 51 ASP N N 51 118.721 118.721 119.938 -1.217 17950 4554 1 13 . 1 1 51 51 ASP HA H 51 4.167 4.167 4.332 -0.165 17950 4555 1 13 . 1 1 51 51 ASP C C 51 178.461 178.461 178.553 -0.092 17950 4556 1 13 . 1 1 51 51 ASP CA C 51 56.852 56.852 57.469 -0.617 17950 4557 1 13 . 1 1 51 51 ASP CB C 51 40.475 40.475 40.781 -0.306 17950 4558 1 13 . 1 1 51 51 ASP H H 51 8.203 8.203 7.902 0.301 17950 4559 1 13 . 1 1 52 52 LYS N N 52 121.009 121.009 119.773 1.236 17950 4560 1 13 . 1 1 52 52 LYS HA H 52 3.776 3.776 3.988 -0.212 17950 4561 1 13 . 1 1 52 52 LYS C C 52 178.328 178.328 178.595 -0.267 17950 4562 1 13 . 1 1 52 52 LYS CA C 52 56.841 56.841 59.347 -2.506 17950 4563 1 13 . 1 1 52 52 LYS CB C 52 31.473 31.473 32.266 -0.793 17950 4564 1 13 . 1 1 52 52 LYS H H 52 7.842 7.842 7.933 -0.091 17950 4565 1 13 . 1 1 53 53 TRP N N 53 119.577 119.577 120.845 -1.268 17950 4566 1 13 . 1 1 53 53 TRP HA H 53 4.121 4.121 4.186 -0.065 17950 4567 1 13 . 1 1 53 53 TRP C C 53 178.056 178.056 178.096 -0.040 17950 4568 1 13 . 1 1 53 53 TRP CA C 53 59.505 59.505 60.802 -1.297 17950 4569 1 13 . 1 1 53 53 TRP CB C 53 30.004 30.004 29.485 0.519 17950 4570 1 13 . 1 1 53 53 TRP H H 53 8.469 8.469 7.526 0.943 17950 4571 1 13 . 1 1 54 54 ARG N N 54 117.607 117.607 119.566 -1.959 17950 4572 1 13 . 1 1 54 54 ARG HA H 54 3.721 3.721 4.037 -0.316 17950 4573 1 13 . 1 1 54 54 ARG C C 54 177.399 177.399 178.630 -1.231 17950 4574 1 13 . 1 1 54 54 ARG CA C 54 59.030 59.030 59.738 -0.708 17950 4575 1 13 . 1 1 54 54 ARG CB C 54 29.401 29.401 29.846 -0.445 17950 4576 1 13 . 1 1 54 54 ARG H H 54 7.527 7.527 8.265 -0.738 17950 4577 1 13 . 1 1 55 55 ASN N N 55 115.552 115.552 117.269 -1.717 17950 4578 1 13 . 1 1 55 55 ASN HA H 55 4.387 4.387 4.515 -0.128 17950 4579 1 13 . 1 1 55 55 ASN C C 55 176.869 176.869 177.589 -0.720 17950 4580 1 13 . 1 1 55 55 ASN CA C 55 55.320 55.320 55.694 -0.374 17950 4581 1 13 . 1 1 55 55 ASN CB C 55 39.679 39.679 38.233 1.446 17950 4582 1 13 . 1 1 55 55 ASN H H 55 7.242 7.242 7.678 -0.436 17950 4583 1 13 . 1 1 56 56 ILE N N 56 117.285 117.285 119.103 -1.818 17950 4584 1 13 . 1 1 56 56 ILE HA H 56 3.768 3.768 3.718 0.050 17950 4585 1 13 . 1 1 56 56 ILE C C 56 176.781 176.781 177.253 -0.472 17950 4586 1 13 . 1 1 56 56 ILE CA C 56 62.932 62.932 63.992 -1.060 17950 4587 1 13 . 1 1 56 56 ILE CB C 56 38.341 38.341 37.444 0.897 17950 4588 1 13 . 1 1 56 56 ILE H H 56 7.760 7.760 7.516 0.244 17950 4589 1 13 . 1 1 57 57 SER N N 57 116.184 116.184 114.851 1.333 17950 4590 1 13 . 1 1 57 57 SER HA H 57 3.676 3.676 4.049 -0.373 17950 4591 1 13 . 1 1 57 57 SER C C 57 174.964 174.964 176.540 -1.576 17950 4592 1 13 . 1 1 57 57 SER CA C 57 59.435 59.435 60.855 -1.420 17950 4593 1 13 . 1 1 57 57 SER CB C 57 63.062 63.062 63.509 -0.447 17950 4594 1 13 . 1 1 57 57 SER H H 57 7.635 7.635 7.394 0.241 17950 4595 1 13 . 1 1 58 58 VAL N N 58 119.671 119.671 123.209 -3.538 17950 4596 1 13 . 1 1 58 58 VAL HA H 58 3.959 3.959 3.760 0.199 17950 4597 1 13 . 1 1 58 58 VAL C C 58 176.787 176.787 177.497 -0.710 17950 4598 1 13 . 1 1 58 58 VAL CA C 58 63.249 63.249 66.149 -2.900 17950 4599 1 13 . 1 1 58 58 VAL CB C 58 31.964 31.964 32.090 -0.126 17950 4600 1 13 . 1 1 58 58 VAL H H 58 7.454 7.454 7.590 -0.136 17950 4601 1 13 . 1 1 59 59 THR N N 59 114.912 114.912 113.232 1.680 17950 4602 1 13 . 1 1 59 59 THR HA H 59 3.924 3.924 4.513 -0.589 17950 4603 1 13 . 1 1 59 59 THR C C 59 174.839 174.839 173.238 1.601 17950 4604 1 13 . 1 1 59 59 THR CA C 59 62.616 62.616 60.614 2.002 17950 4605 1 13 . 1 1 59 59 THR CB C 59 69.358 69.358 67.680 1.678 17950 4606 1 13 . 1 1 59 59 THR H H 59 7.681 7.681 7.535 0.146 17950 4607 1 13 . 1 1 60 60 ALA N N 60 124.969 124.969 128.361 -3.392 17950 4608 1 13 . 1 1 60 60 ALA HA H 60 4.094 4.094 4.477 -0.383 17950 4609 1 13 . 1 1 60 60 ALA C C 60 177.636 177.636 177.631 0.005 17950 4610 1 13 . 1 1 60 60 ALA CA C 60 52.909 52.909 53.363 -0.454 17950 4611 1 13 . 1 1 60 60 ALA CB C 60 18.757 18.757 19.864 -1.107 17950 4612 1 13 . 1 1 60 60 ALA H H 60 7.939 7.939 7.900 0.039 17950 4613 1 13 . 1 1 61 61 LEU N N 61 119.572 119.572 114.243 5.329 17950 4614 1 13 . 1 1 61 61 LEU HA H 61 4.150 4.150 4.567 -0.417 17950 4615 1 13 . 1 1 61 61 LEU C C 61 177.260 177.260 177.274 -0.014 17950 4616 1 13 . 1 1 61 61 LEU CA C 61 55.183 55.183 55.364 -0.181 17950 4617 1 13 . 1 1 61 61 LEU CB C 61 41.901 41.901 42.251 -0.350 17950 4618 1 13 . 1 1 61 61 LEU H H 61 7.812 7.812 7.641 0.171 17950 4619 1 13 . 1 1 62 62 TRP N N 62 120.635 120.635 122.269 -1.634 17950 4620 1 13 . 1 1 62 62 TRP HA H 62 4.617 4.617 4.422 0.195 17950 4621 1 13 . 1 1 62 62 TRP C C 62 176.752 176.752 177.063 -0.311 17950 4622 1 13 . 1 1 62 62 TRP CA C 62 57.262 57.262 59.078 -1.816 17950 4623 1 13 . 1 1 62 62 TRP CB C 62 29.579 29.579 28.238 1.341 17950 4624 1 13 . 1 1 62 62 TRP H H 62 7.851 7.851 8.025 -0.174 17950 4625 1 13 . 1 1 63 63 GLY N N 63 110.695 110.695 113.980 -3.285 17950 4626 1 13 . 1 1 63 63 GLY C C 63 173.238 173.238 175.093 -1.855 17950 4627 1 13 . 1 1 63 63 GLY CA C 63 45.357 45.357 44.871 0.486 17950 4628 1 13 . 1 1 63 63 GLY H H 63 8.132 8.132 8.327 -0.195 17950 4629 1 14 . 1 1 2 2 GLY N N 2 110.542 110.542 110.203 0.339 17950 4630 1 14 . 1 1 2 2 GLY C C 2 173.237 173.237 172.402 0.835 17950 4631 1 14 . 1 1 2 2 GLY CA C 2 44.918 44.918 45.488 -0.570 17950 4632 1 14 . 1 1 2 2 GLY H H 2 8.335 8.335 8.719 -0.384 17950 4633 1 14 . 1 1 3 3 ALA N N 3 124.917 124.917 125.611 -0.694 17950 4634 1 14 . 1 1 3 3 ALA HA H 3 4.513 4.513 4.775 -0.262 17950 4635 1 14 . 1 1 3 3 ALA CA C 3 50.370 50.370 50.597 -0.227 17950 4636 1 14 . 1 1 3 3 ALA CB C 3 18.052 18.052 19.980 -1.928 17950 4637 1 14 . 1 1 3 3 ALA H H 3 8.069 8.069 7.983 0.086 17950 4638 1 14 . 1 1 4 4 PRO HA H 4 4.341 4.341 4.621 -0.280 17950 4639 1 14 . 1 1 4 4 PRO C C 4 177.068 177.068 176.283 0.785 17950 4640 1 14 . 1 1 4 4 PRO CA C 4 63.007 63.007 62.200 0.807 17950 4641 1 14 . 1 1 4 4 PRO CB C 4 32.015 32.015 32.465 -0.450 17950 4642 1 14 . 1 1 5 5 LYS N N 5 121.494 121.494 115.135 6.359 17950 4643 1 14 . 1 1 5 5 LYS HA H 5 4.180 4.180 4.003 0.177 17950 4644 1 14 . 1 1 5 5 LYS C C 5 176.697 176.697 175.959 0.738 17950 4645 1 14 . 1 1 5 5 LYS CA C 5 56.140 56.140 57.037 -0.897 17950 4646 1 14 . 1 1 5 5 LYS CB C 5 32.871 32.871 30.625 2.246 17950 4647 1 14 . 1 1 5 5 LYS H H 5 8.376 8.376 8.554 -0.178 17950 4648 1 14 . 1 1 6 6 GLN N N 6 121.572 121.572 116.970 4.602 17950 4649 1 14 . 1 1 6 6 GLN HA H 6 4.230 4.230 4.151 0.079 17950 4650 1 14 . 1 1 6 6 GLN C C 6 176.847 176.847 175.841 1.006 17950 4651 1 14 . 1 1 6 6 GLN CA C 6 55.634 55.634 56.863 -1.229 17950 4652 1 14 . 1 1 6 6 GLN CB C 6 29.290 29.290 29.430 -0.140 17950 4653 1 14 . 1 1 6 6 GLN H H 6 8.438 8.438 7.949 0.489 17950 4654 1 14 . 1 1 7 7 LYS N N 7 125.757 125.757 123.256 2.501 17950 4655 1 14 . 1 1 7 7 LYS HA H 7 4.259 4.259 4.284 -0.025 17950 4656 1 14 . 1 1 7 7 LYS C C 7 176.770 176.770 175.184 1.586 17950 4657 1 14 . 1 1 7 7 LYS CA C 7 56.899 56.899 56.501 0.398 17950 4658 1 14 . 1 1 7 7 LYS CB C 7 32.782 32.782 32.390 0.392 17950 4659 1 14 . 1 1 7 7 LYS H H 7 8.500 8.500 8.754 -0.254 17950 4660 1 14 . 1 1 8 8 TRP N N 8 125.581 125.581 120.086 5.495 17950 4661 1 14 . 1 1 8 8 TRP HA H 8 4.504 4.504 4.718 -0.214 17950 4662 1 14 . 1 1 8 8 TRP C C 8 177.459 177.459 176.342 1.117 17950 4663 1 14 . 1 1 8 8 TRP CA C 8 57.777 57.777 57.040 0.737 17950 4664 1 14 . 1 1 8 8 TRP CB C 8 28.836 28.836 29.672 -0.835 17950 4665 1 14 . 1 1 8 8 TRP H H 8 8.959 8.959 7.684 1.275 17950 4666 1 14 . 1 1 9 9 THR N N 9 115.986 115.986 111.288 4.698 17950 4667 1 14 . 1 1 9 9 THR HA H 9 4.759 4.759 4.672 0.087 17950 4668 1 14 . 1 1 9 9 THR CA C 9 59.565 59.565 59.210 0.355 17950 4669 1 14 . 1 1 9 9 THR CB C 9 68.786 68.786 70.581 -1.795 17950 4670 1 14 . 1 1 9 9 THR H H 9 9.105 9.105 8.148 0.957 17950 4671 1 14 . 1 1 10 10 PRO HA H 10 4.369 4.369 4.635 -0.266 17950 4672 1 14 . 1 1 10 10 PRO C C 10 180.115 180.115 178.690 1.425 17950 4673 1 14 . 1 1 10 10 PRO CA C 10 65.387 65.387 64.646 0.741 17950 4674 1 14 . 1 1 10 10 PRO CB C 10 31.739 31.739 32.379 -0.640 17950 4675 1 14 . 1 1 11 11 GLU N N 11 118.329 118.329 119.076 -0.747 17950 4676 1 14 . 1 1 11 11 GLU HA H 11 4.065 4.065 4.034 0.031 17950 4677 1 14 . 1 1 11 11 GLU C C 11 180.122 180.122 178.887 1.235 17950 4678 1 14 . 1 1 11 11 GLU CA C 11 60.640 60.640 60.593 0.047 17950 4679 1 14 . 1 1 11 11 GLU CB C 11 28.680 28.680 29.423 -0.743 17950 4680 1 14 . 1 1 11 11 GLU H H 11 9.009 9.009 9.072 -0.063 17950 4681 1 14 . 1 1 12 12 GLU N N 12 121.178 121.178 118.375 2.803 17950 4682 1 14 . 1 1 12 12 GLU HA H 12 3.857 3.857 4.054 -0.197 17950 4683 1 14 . 1 1 12 12 GLU C C 12 179.021 179.021 179.161 -0.140 17950 4684 1 14 . 1 1 12 12 GLU CA C 12 59.900 59.900 59.246 0.654 17950 4685 1 14 . 1 1 12 12 GLU CB C 12 32.276 32.276 29.363 2.913 17950 4686 1 14 . 1 1 12 12 GLU H H 12 7.952 7.952 8.073 -0.121 17950 4687 1 14 . 1 1 13 13 GLU N N 13 118.771 118.771 120.227 -1.456 17950 4688 1 14 . 1 1 13 13 GLU HA H 13 3.928 3.928 4.003 -0.075 17950 4689 1 14 . 1 1 13 13 GLU C C 13 178.499 178.499 179.018 -0.519 17950 4690 1 14 . 1 1 13 13 GLU CA C 13 61.052 61.052 59.334 1.718 17950 4691 1 14 . 1 1 13 13 GLU CB C 13 29.552 29.552 29.520 0.032 17950 4692 1 14 . 1 1 13 13 GLU H H 13 8.446 8.446 7.572 0.874 17950 4693 1 14 . 1 1 14 14 ALA N N 14 120.274 120.274 121.373 -1.099 17950 4694 1 14 . 1 1 14 14 ALA HA H 14 4.095 4.095 4.160 -0.065 17950 4695 1 14 . 1 1 14 14 ALA C C 14 180.719 180.719 179.520 1.199 17950 4696 1 14 . 1 1 14 14 ALA CA C 14 55.053 55.053 54.935 0.117 17950 4697 1 14 . 1 1 14 14 ALA CB C 14 18.019 18.019 18.200 -0.181 17950 4698 1 14 . 1 1 14 14 ALA H H 14 8.434 8.434 8.487 -0.053 17950 4699 1 14 . 1 1 15 15 ALA N N 15 122.356 122.356 121.856 0.500 17950 4700 1 14 . 1 1 15 15 ALA HA H 15 4.381 4.381 3.947 0.434 17950 4701 1 14 . 1 1 15 15 ALA C C 15 178.553 178.553 179.511 -0.958 17950 4702 1 14 . 1 1 15 15 ALA CA C 15 54.786 54.786 54.855 -0.069 17950 4703 1 14 . 1 1 15 15 ALA CB C 15 18.779 18.779 18.281 0.498 17950 4704 1 14 . 1 1 15 15 ALA H H 15 7.900 7.900 8.042 -0.142 17950 4705 1 14 . 1 1 16 16 LEU N N 16 118.626 118.626 119.935 -1.309 17950 4706 1 14 . 1 1 16 16 LEU HA H 16 3.921 3.921 3.981 -0.060 17950 4707 1 14 . 1 1 16 16 LEU C C 16 177.536 177.536 178.594 -1.058 17950 4708 1 14 . 1 1 16 16 LEU CA C 16 58.384 58.384 58.363 0.021 17950 4709 1 14 . 1 1 16 16 LEU CB C 16 42.189 42.189 42.186 0.003 17950 4710 1 14 . 1 1 16 16 LEU H H 16 8.182 8.182 8.088 0.094 17950 4711 1 14 . 1 1 17 17 LYS N N 17 117.009 117.009 119.155 -2.146 17950 4712 1 14 . 1 1 17 17 LYS HA H 17 3.906 3.906 3.993 -0.087 17950 4713 1 14 . 1 1 17 17 LYS C C 17 178.796 178.796 178.868 -0.072 17950 4714 1 14 . 1 1 17 17 LYS CA C 17 60.496 60.496 59.696 0.800 17950 4715 1 14 . 1 1 17 17 LYS CB C 17 32.720 32.720 31.941 0.779 17950 4716 1 14 . 1 1 17 17 LYS H H 17 8.029 8.029 7.964 0.065 17950 4717 1 14 . 1 1 18 18 ALA N N 18 121.422 121.422 120.840 0.582 17950 4718 1 14 . 1 1 18 18 ALA HA H 18 4.021 4.021 4.005 0.016 17950 4719 1 14 . 1 1 18 18 ALA C C 18 180.627 180.627 179.674 0.953 17950 4720 1 14 . 1 1 18 18 ALA CA C 18 54.752 54.752 55.029 -0.277 17950 4721 1 14 . 1 1 18 18 ALA CB C 18 18.405 18.405 17.861 0.544 17950 4722 1 14 . 1 1 18 18 ALA H H 18 8.174 8.174 8.325 -0.151 17950 4723 1 14 . 1 1 19 19 GLY N N 19 110.862 110.862 106.530 4.332 17950 4724 1 14 . 1 1 19 19 GLY C C 19 174.803 174.803 176.101 -1.298 17950 4725 1 14 . 1 1 19 19 GLY CA C 19 47.190 47.190 46.778 0.412 17950 4726 1 14 . 1 1 19 19 GLY H H 19 8.503 8.503 7.469 1.034 17950 4727 1 14 . 1 1 20 20 VAL N N 20 123.677 123.677 122.637 1.040 17950 4728 1 14 . 1 1 20 20 VAL HA H 20 3.166 3.166 3.713 -0.547 17950 4729 1 14 . 1 1 20 20 VAL C C 20 179.632 179.632 177.354 2.278 17950 4730 1 14 . 1 1 20 20 VAL CA C 20 65.603 65.603 65.688 -0.085 17950 4731 1 14 . 1 1 20 20 VAL CB C 20 30.946 30.946 31.904 -0.958 17950 4732 1 14 . 1 1 20 20 VAL H H 20 8.106 8.106 7.537 0.569 17950 4733 1 14 . 1 1 21 21 LEU N N 21 122.348 122.348 118.541 3.807 17950 4734 1 14 . 1 1 21 21 LEU HA H 21 3.894 3.894 4.061 -0.167 17950 4735 1 14 . 1 1 21 21 LEU C C 21 178.085 178.085 178.633 -0.548 17950 4736 1 14 . 1 1 21 21 LEU CA C 21 58.028 58.028 57.356 0.672 17950 4737 1 14 . 1 1 21 21 LEU CB C 21 41.401 41.401 41.262 0.139 17950 4738 1 14 . 1 1 21 21 LEU H H 21 7.817 7.817 8.055 -0.238 17950 4739 1 14 . 1 1 22 22 LYS N N 22 117.663 117.663 119.278 -1.615 17950 4740 1 14 . 1 1 22 22 LYS HA H 22 3.837 3.837 4.048 -0.211 17950 4741 1 14 . 1 1 22 22 LYS C C 22 177.740 177.740 178.131 -0.391 17950 4742 1 14 . 1 1 22 22 LYS CA C 22 59.206 59.206 58.638 0.568 17950 4743 1 14 . 1 1 22 22 LYS CB C 22 35.176 35.176 32.470 2.706 17950 4744 1 14 . 1 1 22 22 LYS H H 22 7.520 7.520 7.994 -0.474 17950 4745 1 14 . 1 1 23 23 HIS N N 23 113.904 113.904 113.864 0.040 17950 4746 1 14 . 1 1 23 23 HIS HA H 23 4.625 4.625 4.596 0.029 17950 4747 1 14 . 1 1 23 23 HIS C C 23 176.122 176.122 175.354 0.768 17950 4748 1 14 . 1 1 23 23 HIS CA C 23 57.211 57.211 57.324 -0.113 17950 4749 1 14 . 1 1 23 23 HIS CB C 23 33.414 33.414 31.348 2.066 17950 4750 1 14 . 1 1 23 23 HIS H H 23 8.311 8.311 7.796 0.515 17950 4751 1 14 . 1 1 24 24 GLY N N 24 110.098 110.098 104.739 5.359 17950 4752 1 14 . 1 1 24 24 GLY C C 24 173.041 173.041 172.351 0.690 17950 4753 1 14 . 1 1 24 24 GLY CA C 24 43.563 43.563 44.464 -0.901 17950 4754 1 14 . 1 1 24 24 GLY H H 24 8.158 8.158 7.536 0.622 17950 4755 1 14 . 1 1 25 25 THR N N 25 108.590 108.590 111.774 -3.184 17950 4756 1 14 . 1 1 25 25 THR HA H 25 3.123 3.123 3.792 -0.669 17950 4757 1 14 . 1 1 25 25 THR C C 25 174.866 174.866 174.961 -0.095 17950 4758 1 14 . 1 1 25 25 THR CA C 25 61.992 61.992 62.306 -0.314 17950 4759 1 14 . 1 1 25 25 THR CB C 25 69.110 69.110 69.172 -0.062 17950 4760 1 14 . 1 1 25 25 THR H H 25 7.826 7.826 8.251 -0.425 17950 4761 1 14 . 1 1 26 26 GLY N N 26 106.794 106.794 112.789 -5.995 17950 4762 1 14 . 1 1 26 26 GLY C C 26 173.988 173.988 174.264 -0.276 17950 4763 1 14 . 1 1 26 26 GLY CA C 26 45.639 45.639 44.761 0.878 17950 4764 1 14 . 1 1 26 26 GLY H H 26 5.553 5.553 7.617 -2.064 17950 4765 1 14 . 1 1 27 27 LYS N N 27 122.617 122.617 119.603 3.014 17950 4766 1 14 . 1 1 27 27 LYS HA H 27 4.499 4.499 4.228 0.271 17950 4767 1 14 . 1 1 27 27 LYS C C 27 176.586 176.586 176.572 0.014 17950 4768 1 14 . 1 1 27 27 LYS CA C 27 53.590 53.590 54.588 -0.998 17950 4769 1 14 . 1 1 27 27 LYS CB C 27 30.298 30.298 30.180 0.117 17950 4770 1 14 . 1 1 27 27 LYS H H 27 7.025 7.025 6.977 0.048 17950 4771 1 14 . 1 1 28 28 TRP N N 28 119.816 119.816 121.527 -1.711 17950 4772 1 14 . 1 1 28 28 TRP HA H 28 4.130 4.130 4.193 -0.063 17950 4773 1 14 . 1 1 28 28 TRP C C 28 178.012 178.012 177.991 0.021 17950 4774 1 14 . 1 1 28 28 TRP CA C 28 58.414 58.414 59.459 -1.045 17950 4775 1 14 . 1 1 28 28 TRP CB C 28 30.008 30.008 29.051 0.957 17950 4776 1 14 . 1 1 28 28 TRP H H 28 6.384 6.384 6.835 -0.451 17950 4777 1 14 . 1 1 29 29 ARG N N 29 115.616 115.616 119.174 -3.558 17950 4778 1 14 . 1 1 29 29 ARG HA H 29 3.963 3.963 4.079 -0.116 17950 4779 1 14 . 1 1 29 29 ARG C C 29 178.821 178.821 177.893 0.928 17950 4780 1 14 . 1 1 29 29 ARG CA C 29 59.381 59.381 60.043 -0.662 17950 4781 1 14 . 1 1 29 29 ARG CB C 29 29.366 29.366 29.513 -0.147 17950 4782 1 14 . 1 1 29 29 ARG H H 29 8.465 8.465 8.456 0.009 17950 4783 1 14 . 1 1 30 30 THR N N 30 118.439 118.439 115.928 2.511 17950 4784 1 14 . 1 1 30 30 THR HA H 30 3.594 3.594 4.015 -0.421 17950 4785 1 14 . 1 1 30 30 THR C C 30 176.351 176.351 176.575 -0.224 17950 4786 1 14 . 1 1 30 30 THR CA C 30 66.347 66.347 66.339 0.008 17950 4787 1 14 . 1 1 30 30 THR CB C 30 68.157 68.157 68.503 -0.346 17950 4788 1 14 . 1 1 30 30 THR H H 30 7.451 7.451 7.858 -0.407 17950 4789 1 14 . 1 1 31 31 ILE N N 31 121.530 121.530 121.746 -0.216 17950 4790 1 14 . 1 1 31 31 ILE HA H 31 3.403 3.403 3.861 -0.458 17950 4791 1 14 . 1 1 31 31 ILE C C 31 176.326 176.326 177.138 -0.812 17950 4792 1 14 . 1 1 31 31 ILE CA C 31 66.885 66.885 65.647 1.238 17950 4793 1 14 . 1 1 31 31 ILE CB C 31 38.320 38.320 37.963 0.357 17950 4794 1 14 . 1 1 31 31 ILE H H 31 7.551 7.551 8.444 -0.893 17950 4795 1 14 . 1 1 32 32 LEU N N 32 113.721 113.721 117.816 -4.095 17950 4796 1 14 . 1 1 32 32 LEU HA H 32 3.871 3.871 4.306 -0.435 17950 4797 1 14 . 1 1 32 32 LEU C C 32 177.633 177.633 177.651 -0.018 17950 4798 1 14 . 1 1 32 32 LEU CA C 32 56.846 56.846 56.279 0.567 17950 4799 1 14 . 1 1 32 32 LEU CB C 32 42.246 42.246 42.056 0.190 17950 4800 1 14 . 1 1 32 32 LEU H H 32 7.317 7.317 7.752 -0.435 17950 4801 1 14 . 1 1 33 33 SER N N 33 110.515 110.515 111.972 -1.457 17950 4802 1 14 . 1 1 33 33 SER HA H 33 4.442 4.442 4.381 0.061 17950 4803 1 14 . 1 1 33 33 SER C C 33 173.479 173.479 173.752 -0.273 17950 4804 1 14 . 1 1 33 33 SER CA C 33 58.210 58.210 59.934 -1.724 17950 4805 1 14 . 1 1 33 33 SER CB C 33 64.194 64.194 64.129 0.064 17950 4806 1 14 . 1 1 33 33 SER H H 33 7.389 7.389 7.500 -0.111 17950 4807 1 14 . 1 1 34 34 ASP N N 34 125.920 125.920 122.221 3.699 17950 4808 1 14 . 1 1 34 34 ASP HA H 34 4.617 4.617 4.624 -0.007 17950 4809 1 14 . 1 1 34 34 ASP C C 34 178.020 178.020 177.252 0.768 17950 4810 1 14 . 1 1 34 34 ASP CA C 34 53.652 53.652 54.380 -0.728 17950 4811 1 14 . 1 1 34 34 ASP CB C 34 42.056 42.056 41.353 0.703 17950 4812 1 14 . 1 1 34 34 ASP H H 34 7.426 7.426 7.862 -0.436 17950 4813 1 14 . 1 1 35 35 THR N N 35 122.180 122.180 123.182 -1.002 17950 4814 1 14 . 1 1 35 35 THR HA H 35 4.223 4.223 4.020 0.203 17950 4815 1 14 . 1 1 35 35 THR C C 35 175.997 175.997 175.851 0.146 17950 4816 1 14 . 1 1 35 35 THR CA C 35 64.686 64.686 65.331 -0.645 17950 4817 1 14 . 1 1 35 35 THR CB C 35 68.728 68.728 68.691 0.037 17950 4818 1 14 . 1 1 35 35 THR H H 35 8.689 8.689 8.659 0.030 17950 4819 1 14 . 1 1 36 36 GLU N N 36 122.403 122.403 120.304 2.099 17950 4820 1 14 . 1 1 36 36 GLU HA H 36 3.698 3.698 3.862 -0.164 17950 4821 1 14 . 1 1 36 36 GLU C C 36 177.497 177.497 176.456 1.041 17950 4822 1 14 . 1 1 36 36 GLU CA C 36 59.317 59.317 58.075 1.242 17950 4823 1 14 . 1 1 36 36 GLU CB C 36 29.107 29.107 29.537 -0.430 17950 4824 1 14 . 1 1 36 36 GLU H H 36 8.818 8.818 7.979 0.839 17950 4825 1 14 . 1 1 37 37 PHE N N 37 114.348 114.348 115.782 -1.434 17950 4826 1 14 . 1 1 37 37 PHE HA H 37 4.857 4.857 4.900 -0.043 17950 4827 1 14 . 1 1 37 37 PHE C C 37 177.191 177.191 174.880 2.311 17950 4828 1 14 . 1 1 37 37 PHE CA C 37 56.463 56.463 56.545 -0.082 17950 4829 1 14 . 1 1 37 37 PHE CB C 37 41.086 41.086 39.514 1.572 17950 4830 1 14 . 1 1 37 37 PHE H H 37 7.477 7.477 7.703 -0.226 17950 4831 1 14 . 1 1 38 38 SER N N 38 114.722 114.722 116.894 -2.172 17950 4832 1 14 . 1 1 38 38 SER HA H 38 3.822 3.822 4.626 -0.804 17950 4833 1 14 . 1 1 38 38 SER C C 38 176.516 176.516 175.629 0.887 17950 4834 1 14 . 1 1 38 38 SER CA C 38 61.996 61.996 59.594 2.402 17950 4835 1 14 . 1 1 38 38 SER CB C 38 62.761 62.761 64.138 -1.377 17950 4836 1 14 . 1 1 38 38 SER H H 38 8.546 8.546 7.615 0.931 17950 4837 1 14 . 1 1 39 39 LEU N N 39 121.277 121.277 121.547 -0.270 17950 4838 1 14 . 1 1 39 39 LEU HA H 39 4.213 4.213 4.096 0.117 17950 4839 1 14 . 1 1 39 39 LEU C C 39 179.777 179.777 179.153 0.624 17950 4840 1 14 . 1 1 39 39 LEU CA C 39 57.171 57.171 57.714 -0.543 17950 4841 1 14 . 1 1 39 39 LEU CB C 39 41.340 41.340 42.120 -0.780 17950 4842 1 14 . 1 1 39 39 LEU H H 39 8.115 8.115 7.736 0.379 17950 4843 1 14 . 1 1 40 40 ILE N N 40 120.137 120.137 116.411 3.726 17950 4844 1 14 . 1 1 40 40 ILE HA H 40 3.701 3.701 3.963 -0.262 17950 4845 1 14 . 1 1 40 40 ILE C C 40 178.413 178.413 176.120 2.293 17950 4846 1 14 . 1 1 40 40 ILE CA C 40 63.624 63.624 63.145 0.479 17950 4847 1 14 . 1 1 40 40 ILE CB C 40 38.778 38.778 38.181 0.597 17950 4848 1 14 . 1 1 40 40 ILE H H 40 7.525 7.525 7.917 -0.392 17950 4849 1 14 . 1 1 41 41 LEU N N 41 117.023 117.023 117.474 -0.451 17950 4850 1 14 . 1 1 41 41 LEU HA H 41 4.406 4.406 4.620 -0.214 17950 4851 1 14 . 1 1 41 41 LEU C C 41 176.196 176.196 176.270 -0.074 17950 4852 1 14 . 1 1 41 41 LEU CA C 41 54.256 54.256 53.505 0.751 17950 4853 1 14 . 1 1 41 41 LEU CB C 41 41.891 41.891 40.996 0.895 17950 4854 1 14 . 1 1 41 41 LEU H H 41 7.608 7.608 7.260 0.348 17950 4855 1 14 . 1 1 42 42 LYS N N 42 116.369 116.369 118.307 -1.938 17950 4856 1 14 . 1 1 42 42 LYS HA H 42 4.050 4.050 4.296 -0.246 17950 4857 1 14 . 1 1 42 42 LYS C C 42 177.139 177.139 177.363 -0.224 17950 4858 1 14 . 1 1 42 42 LYS CA C 42 59.111 59.111 57.376 1.735 17950 4859 1 14 . 1 1 42 42 LYS CB C 42 32.553 32.553 32.610 -0.057 17950 4860 1 14 . 1 1 42 42 LYS H H 42 6.645 6.645 7.603 -0.958 17950 4861 1 14 . 1 1 43 43 SER N N 43 115.061 115.061 115.331 -0.270 17950 4862 1 14 . 1 1 43 43 SER HA H 43 4.407 4.407 4.283 0.124 17950 4863 1 14 . 1 1 43 43 SER C C 43 173.754 173.754 174.857 -1.103 17950 4864 1 14 . 1 1 43 43 SER CA C 43 58.850 58.850 60.354 -1.504 17950 4865 1 14 . 1 1 43 43 SER CB C 43 63.117 63.117 63.275 -0.158 17950 4866 1 14 . 1 1 43 43 SER H H 43 8.443 8.443 8.543 -0.100 17950 4867 1 14 . 1 1 44 44 ARG N N 44 119.658 119.658 119.577 0.081 17950 4868 1 14 . 1 1 44 44 ARG HA H 44 4.674 4.674 4.449 0.225 17950 4869 1 14 . 1 1 44 44 ARG C C 44 174.410 174.410 174.879 -0.469 17950 4870 1 14 . 1 1 44 44 ARG CA C 44 52.244 52.244 55.116 -2.872 17950 4871 1 14 . 1 1 44 44 ARG CB C 44 31.309 31.309 31.363 -0.054 17950 4872 1 14 . 1 1 44 44 ARG H H 44 8.036 8.036 7.899 0.137 17950 4873 1 14 . 1 1 45 45 SER N N 45 116.676 116.676 113.723 2.953 17950 4874 1 14 . 1 1 45 45 SER HA H 45 4.764 4.764 4.756 0.008 17950 4875 1 14 . 1 1 45 45 SER C C 45 175.294 175.294 175.131 0.163 17950 4876 1 14 . 1 1 45 45 SER CA C 45 55.857 55.857 56.477 -0.620 17950 4877 1 14 . 1 1 45 45 SER CB C 45 66.828 66.828 66.004 0.824 17950 4878 1 14 . 1 1 45 45 SER H H 45 9.180 9.180 8.208 0.972 17950 4879 1 14 . 1 1 46 46 ASN N N 46 118.004 118.004 120.173 -2.169 17950 4880 1 14 . 1 1 46 46 ASN HA H 46 3.954 3.954 4.443 -0.489 17950 4881 1 14 . 1 1 46 46 ASN C C 46 176.356 176.356 177.076 -0.720 17950 4882 1 14 . 1 1 46 46 ASN CA C 46 57.734 57.734 56.370 1.364 17950 4883 1 14 . 1 1 46 46 ASN CB C 46 36.901 36.901 38.180 -1.279 17950 4884 1 14 . 1 1 46 46 ASN H H 46 9.005 9.005 8.785 0.220 17950 4885 1 14 . 1 1 47 47 VAL N N 47 119.294 119.294 119.730 -0.436 17950 4886 1 14 . 1 1 47 47 VAL HA H 47 3.422 3.422 3.749 -0.327 17950 4887 1 14 . 1 1 47 47 VAL C C 47 176.899 176.899 176.824 0.075 17950 4888 1 14 . 1 1 47 47 VAL CA C 47 65.439 65.439 65.170 0.269 17950 4889 1 14 . 1 1 47 47 VAL CB C 47 31.863 31.863 31.269 0.594 17950 4890 1 14 . 1 1 47 47 VAL H H 47 7.329 7.329 8.010 -0.681 17950 4891 1 14 . 1 1 48 48 ASP N N 48 120.297 120.297 120.455 -0.158 17950 4892 1 14 . 1 1 48 48 ASP HA H 48 4.358 4.358 4.359 -0.001 17950 4893 1 14 . 1 1 48 48 ASP C C 48 179.879 179.879 178.654 1.225 17950 4894 1 14 . 1 1 48 48 ASP CA C 48 57.162 57.162 57.537 -0.375 17950 4895 1 14 . 1 1 48 48 ASP CB C 48 41.040 41.040 40.822 0.218 17950 4896 1 14 . 1 1 48 48 ASP H H 48 7.597 7.597 7.721 -0.124 17950 4897 1 14 . 1 1 49 49 LEU N N 49 119.624 119.624 120.111 -0.487 17950 4898 1 14 . 1 1 49 49 LEU HA H 49 3.824 3.824 3.824 -0.000 17950 4899 1 14 . 1 1 49 49 LEU C C 49 176.207 176.207 178.319 -2.112 17950 4900 1 14 . 1 1 49 49 LEU CA C 49 59.202 59.202 58.119 1.083 17950 4901 1 14 . 1 1 49 49 LEU CB C 49 41.113 41.113 41.328 -0.215 17950 4902 1 14 . 1 1 49 49 LEU H H 49 7.835 7.835 7.516 0.319 17950 4903 1 14 . 1 1 50 50 LYS N N 50 119.306 119.306 117.307 1.999 17950 4904 1 14 . 1 1 50 50 LYS HA H 50 2.427 2.427 2.582 -0.155 17950 4905 1 14 . 1 1 50 50 LYS C C 50 178.745 178.745 178.443 0.302 17950 4906 1 14 . 1 1 50 50 LYS CA C 50 59.310 59.310 58.702 0.608 17950 4907 1 14 . 1 1 50 50 LYS CB C 50 31.906 31.906 31.574 0.332 17950 4908 1 14 . 1 1 50 50 LYS H H 50 6.788 6.788 7.360 -0.572 17950 4909 1 14 . 1 1 51 51 ASP N N 51 118.721 118.721 120.559 -1.838 17950 4910 1 14 . 1 1 51 51 ASP HA H 51 4.167 4.167 4.326 -0.159 17950 4911 1 14 . 1 1 51 51 ASP C C 51 178.461 178.461 178.237 0.224 17950 4912 1 14 . 1 1 51 51 ASP CA C 51 56.852 56.852 57.416 -0.564 17950 4913 1 14 . 1 1 51 51 ASP CB C 51 40.475 40.475 40.845 -0.370 17950 4914 1 14 . 1 1 51 51 ASP H H 51 8.203 8.203 7.623 0.580 17950 4915 1 14 . 1 1 52 52 LYS N N 52 121.009 121.009 119.505 1.504 17950 4916 1 14 . 1 1 52 52 LYS HA H 52 3.776 3.776 3.853 -0.077 17950 4917 1 14 . 1 1 52 52 LYS C C 52 178.328 178.328 178.474 -0.146 17950 4918 1 14 . 1 1 52 52 LYS CA C 52 56.841 56.841 59.449 -2.608 17950 4919 1 14 . 1 1 52 52 LYS CB C 52 31.473 31.473 32.020 -0.547 17950 4920 1 14 . 1 1 52 52 LYS H H 52 7.842 7.842 8.114 -0.272 17950 4921 1 14 . 1 1 53 53 TRP N N 53 119.577 119.577 120.363 -0.786 17950 4922 1 14 . 1 1 53 53 TRP HA H 53 4.121 4.121 4.218 -0.097 17950 4923 1 14 . 1 1 53 53 TRP C C 53 178.056 178.056 177.568 0.488 17950 4924 1 14 . 1 1 53 53 TRP CA C 53 59.505 59.505 60.293 -0.788 17950 4925 1 14 . 1 1 53 53 TRP CB C 53 30.004 30.004 29.215 0.789 17950 4926 1 14 . 1 1 53 53 TRP H H 53 8.469 8.469 7.490 0.979 17950 4927 1 14 . 1 1 54 54 ARG N N 54 117.607 117.607 120.286 -2.679 17950 4928 1 14 . 1 1 54 54 ARG HA H 54 3.721 3.721 3.772 -0.051 17950 4929 1 14 . 1 1 54 54 ARG C C 54 177.399 177.399 178.114 -0.715 17950 4930 1 14 . 1 1 54 54 ARG CA C 54 59.030 59.030 59.664 -0.634 17950 4931 1 14 . 1 1 54 54 ARG CB C 54 29.401 29.401 29.823 -0.422 17950 4932 1 14 . 1 1 54 54 ARG H H 54 7.527 7.527 7.633 -0.106 17950 4933 1 14 . 1 1 55 55 ASN N N 55 115.552 115.552 118.257 -2.705 17950 4934 1 14 . 1 1 55 55 ASN HA H 55 4.387 4.387 4.356 0.031 17950 4935 1 14 . 1 1 55 55 ASN C C 55 176.869 176.869 177.675 -0.806 17950 4936 1 14 . 1 1 55 55 ASN CA C 55 55.320 55.320 56.338 -1.018 17950 4937 1 14 . 1 1 55 55 ASN CB C 55 39.679 39.679 38.323 1.356 17950 4938 1 14 . 1 1 55 55 ASN H H 55 7.242 7.242 7.869 -0.627 17950 4939 1 14 . 1 1 56 56 ILE N N 56 117.285 117.285 117.260 0.025 17950 4940 1 14 . 1 1 56 56 ILE HA H 56 3.768 3.768 3.692 0.076 17950 4941 1 14 . 1 1 56 56 ILE C C 56 176.781 176.781 175.910 0.871 17950 4942 1 14 . 1 1 56 56 ILE CA C 56 62.932 62.932 63.761 -0.829 17950 4943 1 14 . 1 1 56 56 ILE CB C 56 38.341 38.341 37.791 0.550 17950 4944 1 14 . 1 1 56 56 ILE H H 56 7.760 7.760 7.423 0.337 17950 4945 1 14 . 1 1 57 57 SER N N 57 116.184 116.184 113.248 2.936 17950 4946 1 14 . 1 1 57 57 SER HA H 57 3.676 3.676 4.064 -0.388 17950 4947 1 14 . 1 1 57 57 SER C C 57 174.964 174.964 175.567 -0.603 17950 4948 1 14 . 1 1 57 57 SER CA C 57 59.435 59.435 60.460 -1.025 17950 4949 1 14 . 1 1 57 57 SER CB C 57 63.062 63.062 63.356 -0.294 17950 4950 1 14 . 1 1 57 57 SER H H 57 7.635 7.635 6.958 0.677 17950 4951 1 14 . 1 1 58 58 VAL N N 58 119.671 119.671 119.946 -0.275 17950 4952 1 14 . 1 1 58 58 VAL HA H 58 3.959 3.959 3.738 0.221 17950 4953 1 14 . 1 1 58 58 VAL C C 58 176.787 176.787 175.747 1.040 17950 4954 1 14 . 1 1 58 58 VAL CA C 58 63.249 63.249 65.183 -1.934 17950 4955 1 14 . 1 1 58 58 VAL CB C 58 31.964 31.964 31.937 0.027 17950 4956 1 14 . 1 1 58 58 VAL H H 58 7.454 7.454 7.984 -0.530 17950 4957 1 14 . 1 1 59 59 THR N N 59 114.912 114.912 112.352 2.560 17950 4958 1 14 . 1 1 59 59 THR HA H 59 3.924 3.924 3.459 0.465 17950 4959 1 14 . 1 1 59 59 THR C C 59 174.839 174.839 172.669 2.170 17950 4960 1 14 . 1 1 59 59 THR CA C 59 62.616 62.616 60.939 1.677 17950 4961 1 14 . 1 1 59 59 THR CB C 59 69.358 69.358 67.626 1.732 17950 4962 1 14 . 1 1 59 59 THR H H 59 7.681 7.681 7.082 0.599 17950 4963 1 14 . 1 1 60 60 ALA N N 60 124.969 124.969 131.393 -6.424 17950 4964 1 14 . 1 1 60 60 ALA HA H 60 4.094 4.094 4.427 -0.333 17950 4965 1 14 . 1 1 60 60 ALA C C 60 177.636 177.636 177.420 0.216 17950 4966 1 14 . 1 1 60 60 ALA CA C 60 52.909 52.909 53.133 -0.224 17950 4967 1 14 . 1 1 60 60 ALA CB C 60 18.757 18.757 19.800 -1.043 17950 4968 1 14 . 1 1 60 60 ALA H H 60 7.939 7.939 8.525 -0.586 17950 4969 1 14 . 1 1 61 61 LEU N N 61 119.572 119.572 116.433 3.139 17950 4970 1 14 . 1 1 61 61 LEU HA H 61 4.150 4.150 4.764 -0.614 17950 4971 1 14 . 1 1 61 61 LEU C C 61 177.260 177.260 176.392 0.868 17950 4972 1 14 . 1 1 61 61 LEU CA C 61 55.183 55.183 53.821 1.362 17950 4973 1 14 . 1 1 61 61 LEU CB C 61 41.901 41.901 41.049 0.852 17950 4974 1 14 . 1 1 61 61 LEU H H 61 7.812 7.812 7.978 -0.166 17950 4975 1 14 . 1 1 62 62 TRP N N 62 120.635 120.635 121.865 -1.230 17950 4976 1 14 . 1 1 62 62 TRP HA H 62 4.617 4.617 4.609 0.008 17950 4977 1 14 . 1 1 62 62 TRP C C 62 176.752 176.752 178.251 -1.499 17950 4978 1 14 . 1 1 62 62 TRP CA C 62 57.262 57.262 58.443 -1.181 17950 4979 1 14 . 1 1 62 62 TRP CB C 62 29.579 29.579 29.719 -0.140 17950 4980 1 14 . 1 1 62 62 TRP H H 62 7.851 7.851 7.664 0.187 17950 4981 1 14 . 1 1 63 63 GLY N N 63 110.695 110.695 110.079 0.616 17950 4982 1 14 . 1 1 63 63 GLY C C 63 173.238 173.238 173.994 -0.756 17950 4983 1 14 . 1 1 63 63 GLY CA C 63 45.357 45.357 45.273 0.084 17950 4984 1 14 . 1 1 63 63 GLY H H 63 8.132 8.132 8.604 -0.472 17950 4985 1 15 . 1 1 2 2 GLY N N 2 110.542 110.542 108.816 1.726 17950 4986 1 15 . 1 1 2 2 GLY C C 2 173.237 173.237 173.555 -0.318 17950 4987 1 15 . 1 1 2 2 GLY CA C 2 44.918 44.918 44.769 0.149 17950 4988 1 15 . 1 1 2 2 GLY H H 2 8.335 8.335 8.450 -0.115 17950 4989 1 15 . 1 1 3 3 ALA N N 3 124.917 124.917 122.682 2.235 17950 4990 1 15 . 1 1 3 3 ALA HA H 3 4.513 4.513 4.625 -0.112 17950 4991 1 15 . 1 1 3 3 ALA CA C 3 50.370 50.370 50.943 -0.573 17950 4992 1 15 . 1 1 3 3 ALA CB C 3 18.052 18.052 19.754 -1.702 17950 4993 1 15 . 1 1 3 3 ALA H H 3 8.069 8.069 8.361 -0.292 17950 4994 1 15 . 1 1 4 4 PRO HA H 4 4.341 4.341 4.395 -0.054 17950 4995 1 15 . 1 1 4 4 PRO C C 4 177.068 177.068 176.289 0.779 17950 4996 1 15 . 1 1 4 4 PRO CA C 4 63.007 63.007 63.637 -0.630 17950 4997 1 15 . 1 1 4 4 PRO CB C 4 32.015 32.015 32.283 -0.268 17950 4998 1 15 . 1 1 5 5 LYS N N 5 121.494 121.494 119.164 2.330 17950 4999 1 15 . 1 1 5 5 LYS HA H 5 4.180 4.180 4.547 -0.367 17950 5000 1 15 . 1 1 5 5 LYS C C 5 176.697 176.697 175.234 1.463 17950 5001 1 15 . 1 1 5 5 LYS CA C 5 56.140 56.140 55.907 0.233 17950 5002 1 15 . 1 1 5 5 LYS CB C 5 32.871 32.871 33.605 -0.734 17950 5003 1 15 . 1 1 5 5 LYS H H 5 8.376 8.376 7.963 0.413 17950 5004 1 15 . 1 1 6 6 GLN N N 6 121.572 121.572 121.950 -0.378 17950 5005 1 15 . 1 1 6 6 GLN HA H 6 4.230 4.230 4.456 -0.226 17950 5006 1 15 . 1 1 6 6 GLN C C 6 176.847 176.847 175.086 1.761 17950 5007 1 15 . 1 1 6 6 GLN CA C 6 55.634 55.634 55.141 0.493 17950 5008 1 15 . 1 1 6 6 GLN CB C 6 29.290 29.290 30.638 -1.348 17950 5009 1 15 . 1 1 6 6 GLN H H 6 8.438 8.438 8.234 0.204 17950 5010 1 15 . 1 1 7 7 LYS N N 7 125.757 125.757 118.886 6.871 17950 5011 1 15 . 1 1 7 7 LYS HA H 7 4.259 4.259 4.223 0.036 17950 5012 1 15 . 1 1 7 7 LYS C C 7 176.770 176.770 175.685 1.085 17950 5013 1 15 . 1 1 7 7 LYS CA C 7 56.899 56.899 56.914 -0.015 17950 5014 1 15 . 1 1 7 7 LYS CB C 7 32.782 32.782 32.542 0.240 17950 5015 1 15 . 1 1 7 7 LYS H H 7 8.500 8.500 8.493 0.007 17950 5016 1 15 . 1 1 8 8 TRP N N 8 125.581 125.581 120.518 5.063 17950 5017 1 15 . 1 1 8 8 TRP HA H 8 4.504 4.504 4.637 -0.133 17950 5018 1 15 . 1 1 8 8 TRP C C 8 177.459 177.459 175.903 1.556 17950 5019 1 15 . 1 1 8 8 TRP CA C 8 57.777 57.777 56.329 1.448 17950 5020 1 15 . 1 1 8 8 TRP CB C 8 28.836 28.836 31.291 -2.455 17950 5021 1 15 . 1 1 8 8 TRP H H 8 8.959 8.959 7.432 1.527 17950 5022 1 15 . 1 1 9 9 THR N N 9 115.986 115.986 110.281 5.705 17950 5023 1 15 . 1 1 9 9 THR HA H 9 4.759 4.759 4.932 -0.173 17950 5024 1 15 . 1 1 9 9 THR CA C 9 59.565 59.565 58.531 1.034 17950 5025 1 15 . 1 1 9 9 THR CB C 9 68.786 68.786 69.819 -1.033 17950 5026 1 15 . 1 1 9 9 THR H H 9 9.105 9.105 8.437 0.668 17950 5027 1 15 . 1 1 10 10 PRO HA H 10 4.369 4.369 4.574 -0.205 17950 5028 1 15 . 1 1 10 10 PRO C C 10 180.115 180.115 178.830 1.285 17950 5029 1 15 . 1 1 10 10 PRO CA C 10 65.387 65.387 64.882 0.505 17950 5030 1 15 . 1 1 10 10 PRO CB C 10 31.739 31.739 32.384 -0.645 17950 5031 1 15 . 1 1 11 11 GLU N N 11 118.329 118.329 118.466 -0.137 17950 5032 1 15 . 1 1 11 11 GLU HA H 11 4.065 4.065 4.056 0.009 17950 5033 1 15 . 1 1 11 11 GLU C C 11 180.122 180.122 178.923 1.199 17950 5034 1 15 . 1 1 11 11 GLU CA C 11 60.640 60.640 60.101 0.539 17950 5035 1 15 . 1 1 11 11 GLU CB C 11 28.680 28.680 29.412 -0.732 17950 5036 1 15 . 1 1 11 11 GLU H H 11 9.009 9.009 9.085 -0.076 17950 5037 1 15 . 1 1 12 12 GLU N N 12 121.178 121.178 118.530 2.648 17950 5038 1 15 . 1 1 12 12 GLU HA H 12 3.857 3.857 4.035 -0.178 17950 5039 1 15 . 1 1 12 12 GLU C C 12 179.021 179.021 178.782 0.239 17950 5040 1 15 . 1 1 12 12 GLU CA C 12 59.900 59.900 59.095 0.805 17950 5041 1 15 . 1 1 12 12 GLU CB C 12 32.276 32.276 29.428 2.848 17950 5042 1 15 . 1 1 12 12 GLU H H 12 7.952 7.952 7.709 0.243 17950 5043 1 15 . 1 1 13 13 GLU N N 13 118.771 118.771 120.266 -1.495 17950 5044 1 15 . 1 1 13 13 GLU HA H 13 3.928 3.928 3.860 0.068 17950 5045 1 15 . 1 1 13 13 GLU C C 13 178.499 178.499 178.829 -0.330 17950 5046 1 15 . 1 1 13 13 GLU CA C 13 61.052 61.052 59.285 1.767 17950 5047 1 15 . 1 1 13 13 GLU CB C 13 29.552 29.552 29.487 0.065 17950 5048 1 15 . 1 1 13 13 GLU H H 13 8.446 8.446 7.491 0.955 17950 5049 1 15 . 1 1 14 14 ALA N N 14 120.274 120.274 120.860 -0.586 17950 5050 1 15 . 1 1 14 14 ALA HA H 14 4.095 4.095 4.050 0.045 17950 5051 1 15 . 1 1 14 14 ALA C C 14 180.719 180.719 179.419 1.300 17950 5052 1 15 . 1 1 14 14 ALA CA C 14 55.053 55.053 54.980 0.073 17950 5053 1 15 . 1 1 14 14 ALA CB C 14 18.019 18.019 18.232 -0.213 17950 5054 1 15 . 1 1 14 14 ALA H H 14 8.434 8.434 8.213 0.221 17950 5055 1 15 . 1 1 15 15 ALA N N 15 122.356 122.356 120.983 1.373 17950 5056 1 15 . 1 1 15 15 ALA HA H 15 4.381 4.381 3.534 0.847 17950 5057 1 15 . 1 1 15 15 ALA C C 15 178.553 178.553 179.217 -0.664 17950 5058 1 15 . 1 1 15 15 ALA CA C 15 54.786 54.786 54.249 0.536 17950 5059 1 15 . 1 1 15 15 ALA CB C 15 18.779 18.779 18.183 0.596 17950 5060 1 15 . 1 1 15 15 ALA H H 15 7.900 7.900 7.646 0.254 17950 5061 1 15 . 1 1 16 16 LEU N N 16 118.626 118.626 119.824 -1.198 17950 5062 1 15 . 1 1 16 16 LEU HA H 16 3.921 3.921 3.730 0.191 17950 5063 1 15 . 1 1 16 16 LEU C C 16 177.536 177.536 178.443 -0.907 17950 5064 1 15 . 1 1 16 16 LEU CA C 16 58.384 58.384 58.037 0.347 17950 5065 1 15 . 1 1 16 16 LEU CB C 16 42.189 42.189 41.640 0.549 17950 5066 1 15 . 1 1 16 16 LEU H H 16 8.182 8.182 8.045 0.137 17950 5067 1 15 . 1 1 17 17 LYS N N 17 117.009 117.009 118.534 -1.525 17950 5068 1 15 . 1 1 17 17 LYS HA H 17 3.906 3.906 3.756 0.150 17950 5069 1 15 . 1 1 17 17 LYS C C 17 178.796 178.796 178.692 0.104 17950 5070 1 15 . 1 1 17 17 LYS CA C 17 60.496 60.496 59.452 1.044 17950 5071 1 15 . 1 1 17 17 LYS CB C 17 32.720 32.720 31.756 0.964 17950 5072 1 15 . 1 1 17 17 LYS H H 17 8.029 8.029 7.589 0.440 17950 5073 1 15 . 1 1 18 18 ALA N N 18 121.422 121.422 120.751 0.671 17950 5074 1 15 . 1 1 18 18 ALA HA H 18 4.021 4.021 4.058 -0.037 17950 5075 1 15 . 1 1 18 18 ALA C C 18 180.627 180.627 179.836 0.791 17950 5076 1 15 . 1 1 18 18 ALA CA C 18 54.752 54.752 54.976 -0.224 17950 5077 1 15 . 1 1 18 18 ALA CB C 18 18.405 18.405 17.766 0.639 17950 5078 1 15 . 1 1 18 18 ALA H H 18 8.174 8.174 7.524 0.650 17950 5079 1 15 . 1 1 19 19 GLY N N 19 110.862 110.862 106.636 4.226 17950 5080 1 15 . 1 1 19 19 GLY C C 19 174.803 174.803 176.255 -1.452 17950 5081 1 15 . 1 1 19 19 GLY CA C 19 47.190 47.190 46.978 0.212 17950 5082 1 15 . 1 1 19 19 GLY H H 19 8.503 8.503 7.496 1.007 17950 5083 1 15 . 1 1 20 20 VAL N N 20 123.677 123.677 122.898 0.779 17950 5084 1 15 . 1 1 20 20 VAL HA H 20 3.166 3.166 3.724 -0.558 17950 5085 1 15 . 1 1 20 20 VAL C C 20 179.632 179.632 177.527 2.105 17950 5086 1 15 . 1 1 20 20 VAL CA C 20 65.603 65.603 66.028 -0.425 17950 5087 1 15 . 1 1 20 20 VAL CB C 20 30.946 30.946 32.020 -1.074 17950 5088 1 15 . 1 1 20 20 VAL H H 20 8.106 8.106 7.585 0.521 17950 5089 1 15 . 1 1 21 21 LEU N N 21 122.348 122.348 118.881 3.467 17950 5090 1 15 . 1 1 21 21 LEU HA H 21 3.894 3.894 4.024 -0.130 17950 5091 1 15 . 1 1 21 21 LEU C C 21 178.085 178.085 178.653 -0.568 17950 5092 1 15 . 1 1 21 21 LEU CA C 21 58.028 58.028 57.446 0.582 17950 5093 1 15 . 1 1 21 21 LEU CB C 21 41.401 41.401 42.010 -0.609 17950 5094 1 15 . 1 1 21 21 LEU H H 21 7.817 7.817 8.037 -0.220 17950 5095 1 15 . 1 1 22 22 LYS N N 22 117.663 117.663 118.211 -0.548 17950 5096 1 15 . 1 1 22 22 LYS HA H 22 3.837 3.837 4.092 -0.255 17950 5097 1 15 . 1 1 22 22 LYS C C 22 177.740 177.740 178.277 -0.537 17950 5098 1 15 . 1 1 22 22 LYS CA C 22 59.206 59.206 58.771 0.435 17950 5099 1 15 . 1 1 22 22 LYS CB C 22 35.176 35.176 32.424 2.752 17950 5100 1 15 . 1 1 22 22 LYS H H 22 7.520 7.520 7.926 -0.406 17950 5101 1 15 . 1 1 23 23 HIS N N 23 113.904 113.904 113.133 0.771 17950 5102 1 15 . 1 1 23 23 HIS HA H 23 4.625 4.625 4.667 -0.042 17950 5103 1 15 . 1 1 23 23 HIS C C 23 176.122 176.122 175.239 0.883 17950 5104 1 15 . 1 1 23 23 HIS CA C 23 57.211 57.211 56.496 0.715 17950 5105 1 15 . 1 1 23 23 HIS CB C 23 33.414 33.414 33.220 0.194 17950 5106 1 15 . 1 1 23 23 HIS H H 23 8.311 8.311 7.758 0.553 17950 5107 1 15 . 1 1 24 24 GLY N N 24 110.098 110.098 108.091 2.007 17950 5108 1 15 . 1 1 24 24 GLY C C 24 173.041 173.041 172.725 0.316 17950 5109 1 15 . 1 1 24 24 GLY CA C 24 43.563 43.563 44.827 -1.264 17950 5110 1 15 . 1 1 24 24 GLY H H 24 8.158 8.158 7.499 0.659 17950 5111 1 15 . 1 1 25 25 THR N N 25 108.590 108.590 115.647 -7.057 17950 5112 1 15 . 1 1 25 25 THR HA H 25 3.123 3.123 4.364 -1.241 17950 5113 1 15 . 1 1 25 25 THR C C 25 174.866 174.866 176.223 -1.357 17950 5114 1 15 . 1 1 25 25 THR CA C 25 61.992 61.992 63.703 -1.711 17950 5115 1 15 . 1 1 25 25 THR CB C 25 69.110 69.110 69.475 -0.365 17950 5116 1 15 . 1 1 25 25 THR H H 25 7.826 7.826 8.280 -0.454 17950 5117 1 15 . 1 1 26 26 GLY N N 26 106.794 106.794 114.768 -7.974 17950 5118 1 15 . 1 1 26 26 GLY C C 26 173.988 173.988 174.739 -0.751 17950 5119 1 15 . 1 1 26 26 GLY CA C 26 45.639 45.639 45.546 0.093 17950 5120 1 15 . 1 1 26 26 GLY H H 26 5.553 5.553 8.796 -3.243 17950 5121 1 15 . 1 1 27 27 LYS N N 27 122.617 122.617 123.041 -0.424 17950 5122 1 15 . 1 1 27 27 LYS HA H 27 4.499 4.499 3.994 0.505 17950 5123 1 15 . 1 1 27 27 LYS C C 27 176.586 176.586 176.244 0.342 17950 5124 1 15 . 1 1 27 27 LYS CA C 27 53.590 53.590 53.818 -0.228 17950 5125 1 15 . 1 1 27 27 LYS CB C 27 30.298 30.298 30.381 -0.083 17950 5126 1 15 . 1 1 27 27 LYS H H 27 7.025 7.025 7.568 -0.543 17950 5127 1 15 . 1 1 28 28 TRP N N 28 119.816 119.816 120.551 -0.735 17950 5128 1 15 . 1 1 28 28 TRP HA H 28 4.130 4.130 3.847 0.283 17950 5129 1 15 . 1 1 28 28 TRP C C 28 178.012 178.012 177.443 0.569 17950 5130 1 15 . 1 1 28 28 TRP CA C 28 58.414 58.414 60.199 -1.785 17950 5131 1 15 . 1 1 28 28 TRP CB C 28 30.008 30.008 28.127 1.881 17950 5132 1 15 . 1 1 28 28 TRP H H 28 6.384 6.384 7.217 -0.833 17950 5133 1 15 . 1 1 29 29 ARG N N 29 115.616 115.616 119.787 -4.171 17950 5134 1 15 . 1 1 29 29 ARG HA H 29 3.963 3.963 4.149 -0.186 17950 5135 1 15 . 1 1 29 29 ARG C C 29 178.821 178.821 178.122 0.699 17950 5136 1 15 . 1 1 29 29 ARG CA C 29 59.381 59.381 59.594 -0.213 17950 5137 1 15 . 1 1 29 29 ARG CB C 29 29.366 29.366 29.739 -0.373 17950 5138 1 15 . 1 1 29 29 ARG H H 29 8.465 8.465 7.688 0.777 17950 5139 1 15 . 1 1 30 30 THR N N 30 118.439 118.439 116.575 1.864 17950 5140 1 15 . 1 1 30 30 THR HA H 30 3.594 3.594 3.922 -0.328 17950 5141 1 15 . 1 1 30 30 THR C C 30 176.351 176.351 176.854 -0.503 17950 5142 1 15 . 1 1 30 30 THR CA C 30 66.347 66.347 65.935 0.412 17950 5143 1 15 . 1 1 30 30 THR CB C 30 68.157 68.157 68.004 0.153 17950 5144 1 15 . 1 1 30 30 THR H H 30 7.451 7.451 7.718 -0.267 17950 5145 1 15 . 1 1 31 31 ILE N N 31 121.530 121.530 120.513 1.017 17950 5146 1 15 . 1 1 31 31 ILE HA H 31 3.403 3.403 3.748 -0.345 17950 5147 1 15 . 1 1 31 31 ILE C C 31 176.326 176.326 178.042 -1.716 17950 5148 1 15 . 1 1 31 31 ILE CA C 31 66.885 66.885 65.308 1.577 17950 5149 1 15 . 1 1 31 31 ILE CB C 31 38.320 38.320 37.537 0.783 17950 5150 1 15 . 1 1 31 31 ILE H H 31 7.551 7.551 8.205 -0.654 17950 5151 1 15 . 1 1 32 32 LEU N N 32 113.721 113.721 119.876 -6.155 17950 5152 1 15 . 1 1 32 32 LEU HA H 32 3.871 3.871 4.092 -0.221 17950 5153 1 15 . 1 1 32 32 LEU C C 32 177.633 177.633 177.929 -0.296 17950 5154 1 15 . 1 1 32 32 LEU CA C 32 56.846 56.846 56.802 0.044 17950 5155 1 15 . 1 1 32 32 LEU CB C 32 42.246 42.246 42.060 0.186 17950 5156 1 15 . 1 1 32 32 LEU H H 32 7.317 7.317 7.652 -0.335 17950 5157 1 15 . 1 1 33 33 SER N N 33 110.515 110.515 112.225 -1.710 17950 5158 1 15 . 1 1 33 33 SER HA H 33 4.442 4.442 4.257 0.185 17950 5159 1 15 . 1 1 33 33 SER C C 33 173.479 173.479 174.358 -0.879 17950 5160 1 15 . 1 1 33 33 SER CA C 33 58.210 58.210 60.030 -1.820 17950 5161 1 15 . 1 1 33 33 SER CB C 33 64.194 64.194 63.544 0.650 17950 5162 1 15 . 1 1 33 33 SER H H 33 7.389 7.389 7.728 -0.339 17950 5163 1 15 . 1 1 34 34 ASP N N 34 125.920 125.920 122.097 3.823 17950 5164 1 15 . 1 1 34 34 ASP HA H 34 4.617 4.617 4.648 -0.031 17950 5165 1 15 . 1 1 34 34 ASP C C 34 178.020 178.020 177.261 0.759 17950 5166 1 15 . 1 1 34 34 ASP CA C 34 53.652 53.652 53.906 -0.254 17950 5167 1 15 . 1 1 34 34 ASP CB C 34 42.056 42.056 41.100 0.956 17950 5168 1 15 . 1 1 34 34 ASP H H 34 7.426 7.426 7.778 -0.352 17950 5169 1 15 . 1 1 35 35 THR N N 35 122.180 122.180 122.973 -0.793 17950 5170 1 15 . 1 1 35 35 THR HA H 35 4.223 4.223 3.961 0.262 17950 5171 1 15 . 1 1 35 35 THR C C 35 175.997 175.997 175.941 0.056 17950 5172 1 15 . 1 1 35 35 THR CA C 35 64.686 64.686 65.833 -1.147 17950 5173 1 15 . 1 1 35 35 THR CB C 35 68.728 68.728 68.734 -0.006 17950 5174 1 15 . 1 1 35 35 THR H H 35 8.689 8.689 8.500 0.189 17950 5175 1 15 . 1 1 36 36 GLU N N 36 122.403 122.403 120.748 1.655 17950 5176 1 15 . 1 1 36 36 GLU HA H 36 3.698 3.698 3.882 -0.184 17950 5177 1 15 . 1 1 36 36 GLU C C 36 177.497 177.497 176.885 0.612 17950 5178 1 15 . 1 1 36 36 GLU CA C 36 59.317 59.317 58.574 0.744 17950 5179 1 15 . 1 1 36 36 GLU CB C 36 29.107 29.107 29.541 -0.434 17950 5180 1 15 . 1 1 36 36 GLU H H 36 8.818 8.818 7.832 0.986 17950 5181 1 15 . 1 1 37 37 PHE N N 37 114.348 114.348 114.860 -0.512 17950 5182 1 15 . 1 1 37 37 PHE HA H 37 4.857 4.857 4.814 0.043 17950 5183 1 15 . 1 1 37 37 PHE C C 37 177.191 177.191 174.842 2.349 17950 5184 1 15 . 1 1 37 37 PHE CA C 37 56.463 56.463 56.733 -0.270 17950 5185 1 15 . 1 1 37 37 PHE CB C 37 41.086 41.086 39.693 1.393 17950 5186 1 15 . 1 1 37 37 PHE H H 37 7.477 7.477 7.921 -0.444 17950 5187 1 15 . 1 1 38 38 SER N N 38 114.722 114.722 117.065 -2.343 17950 5188 1 15 . 1 1 38 38 SER HA H 38 3.822 3.822 4.516 -0.694 17950 5189 1 15 . 1 1 38 38 SER C C 38 176.516 176.516 175.630 0.886 17950 5190 1 15 . 1 1 38 38 SER CA C 38 61.996 61.996 59.711 2.285 17950 5191 1 15 . 1 1 38 38 SER CB C 38 62.761 62.761 63.602 -0.841 17950 5192 1 15 . 1 1 38 38 SER H H 38 8.546 8.546 7.614 0.932 17950 5193 1 15 . 1 1 39 39 LEU N N 39 121.277 121.277 120.286 0.991 17950 5194 1 15 . 1 1 39 39 LEU HA H 39 4.213 4.213 4.132 0.081 17950 5195 1 15 . 1 1 39 39 LEU C C 39 179.777 179.777 178.260 1.517 17950 5196 1 15 . 1 1 39 39 LEU CA C 39 57.171 57.171 57.346 -0.175 17950 5197 1 15 . 1 1 39 39 LEU CB C 39 41.340 41.340 42.359 -1.019 17950 5198 1 15 . 1 1 39 39 LEU H H 39 8.115 8.115 7.367 0.748 17950 5199 1 15 . 1 1 40 40 ILE N N 40 120.137 120.137 115.185 4.952 17950 5200 1 15 . 1 1 40 40 ILE HA H 40 3.701 3.701 4.044 -0.343 17950 5201 1 15 . 1 1 40 40 ILE C C 40 178.413 178.413 176.549 1.864 17950 5202 1 15 . 1 1 40 40 ILE CA C 40 63.624 63.624 63.208 0.416 17950 5203 1 15 . 1 1 40 40 ILE CB C 40 38.778 38.778 38.199 0.579 17950 5204 1 15 . 1 1 40 40 ILE H H 40 7.525 7.525 8.038 -0.513 17950 5205 1 15 . 1 1 41 41 LEU N N 41 117.023 117.023 116.622 0.401 17950 5206 1 15 . 1 1 41 41 LEU HA H 41 4.406 4.406 4.715 -0.309 17950 5207 1 15 . 1 1 41 41 LEU C C 41 176.196 176.196 176.124 0.072 17950 5208 1 15 . 1 1 41 41 LEU CA C 41 54.256 54.256 53.337 0.919 17950 5209 1 15 . 1 1 41 41 LEU CB C 41 41.891 41.891 40.877 1.014 17950 5210 1 15 . 1 1 41 41 LEU H H 41 7.608 7.608 7.753 -0.145 17950 5211 1 15 . 1 1 42 42 LYS N N 42 116.369 116.369 117.727 -1.358 17950 5212 1 15 . 1 1 42 42 LYS HA H 42 4.050 4.050 4.244 -0.194 17950 5213 1 15 . 1 1 42 42 LYS C C 42 177.139 177.139 177.460 -0.321 17950 5214 1 15 . 1 1 42 42 LYS CA C 42 59.111 59.111 57.521 1.590 17950 5215 1 15 . 1 1 42 42 LYS CB C 42 32.553 32.553 32.478 0.075 17950 5216 1 15 . 1 1 42 42 LYS H H 42 6.645 6.645 7.434 -0.789 17950 5217 1 15 . 1 1 43 43 SER N N 43 115.061 115.061 113.788 1.273 17950 5218 1 15 . 1 1 43 43 SER HA H 43 4.407 4.407 4.459 -0.052 17950 5219 1 15 . 1 1 43 43 SER C C 43 173.754 173.754 174.436 -0.682 17950 5220 1 15 . 1 1 43 43 SER CA C 43 58.850 58.850 58.566 0.284 17950 5221 1 15 . 1 1 43 43 SER CB C 43 63.117 63.117 63.096 0.021 17950 5222 1 15 . 1 1 43 43 SER H H 43 8.443 8.443 8.554 -0.111 17950 5223 1 15 . 1 1 44 44 ARG N N 44 119.658 119.658 118.822 0.836 17950 5224 1 15 . 1 1 44 44 ARG HA H 44 4.674 4.674 4.611 0.063 17950 5225 1 15 . 1 1 44 44 ARG C C 44 174.410 174.410 174.716 -0.306 17950 5226 1 15 . 1 1 44 44 ARG CA C 44 52.244 52.244 54.918 -2.674 17950 5227 1 15 . 1 1 44 44 ARG CB C 44 31.309 31.309 33.184 -1.875 17950 5228 1 15 . 1 1 44 44 ARG H H 44 8.036 8.036 7.215 0.821 17950 5229 1 15 . 1 1 45 45 SER N N 45 116.676 116.676 114.505 2.171 17950 5230 1 15 . 1 1 45 45 SER HA H 45 4.764 4.764 4.801 -0.037 17950 5231 1 15 . 1 1 45 45 SER C C 45 175.294 175.294 175.398 -0.104 17950 5232 1 15 . 1 1 45 45 SER CA C 45 55.857 55.857 56.763 -0.906 17950 5233 1 15 . 1 1 45 45 SER CB C 45 66.828 66.828 65.945 0.883 17950 5234 1 15 . 1 1 45 45 SER H H 45 9.180 9.180 8.548 0.632 17950 5235 1 15 . 1 1 46 46 ASN N N 46 118.004 118.004 120.343 -2.339 17950 5236 1 15 . 1 1 46 46 ASN HA H 46 3.954 3.954 4.389 -0.435 17950 5237 1 15 . 1 1 46 46 ASN C C 46 176.356 176.356 176.840 -0.484 17950 5238 1 15 . 1 1 46 46 ASN CA C 46 57.734 57.734 56.360 1.374 17950 5239 1 15 . 1 1 46 46 ASN CB C 46 36.901 36.901 37.814 -0.913 17950 5240 1 15 . 1 1 46 46 ASN H H 46 9.005 9.005 8.805 0.200 17950 5241 1 15 . 1 1 47 47 VAL N N 47 119.294 119.294 119.848 -0.554 17950 5242 1 15 . 1 1 47 47 VAL HA H 47 3.422 3.422 3.621 -0.199 17950 5243 1 15 . 1 1 47 47 VAL C C 47 176.899 176.899 177.416 -0.517 17950 5244 1 15 . 1 1 47 47 VAL CA C 47 65.439 65.439 65.653 -0.214 17950 5245 1 15 . 1 1 47 47 VAL CB C 47 31.863 31.863 31.215 0.648 17950 5246 1 15 . 1 1 47 47 VAL H H 47 7.329 7.329 8.082 -0.753 17950 5247 1 15 . 1 1 48 48 ASP N N 48 120.297 120.297 120.216 0.081 17950 5248 1 15 . 1 1 48 48 ASP HA H 48 4.358 4.358 4.503 -0.145 17950 5249 1 15 . 1 1 48 48 ASP C C 48 179.879 179.879 178.910 0.969 17950 5250 1 15 . 1 1 48 48 ASP CA C 48 57.162 57.162 57.795 -0.633 17950 5251 1 15 . 1 1 48 48 ASP CB C 48 41.040 41.040 40.700 0.341 17950 5252 1 15 . 1 1 48 48 ASP H H 48 7.597 7.597 7.786 -0.189 17950 5253 1 15 . 1 1 49 49 LEU N N 49 119.624 119.624 119.897 -0.273 17950 5254 1 15 . 1 1 49 49 LEU HA H 49 3.824 3.824 4.202 -0.378 17950 5255 1 15 . 1 1 49 49 LEU C C 49 176.207 176.207 178.708 -2.501 17950 5256 1 15 . 1 1 49 49 LEU CA C 49 59.202 59.202 57.787 1.415 17950 5257 1 15 . 1 1 49 49 LEU CB C 49 41.113 41.113 41.375 -0.262 17950 5258 1 15 . 1 1 49 49 LEU H H 49 7.835 7.835 7.488 0.347 17950 5259 1 15 . 1 1 50 50 LYS N N 50 119.306 119.306 120.108 -0.802 17950 5260 1 15 . 1 1 50 50 LYS HA H 50 2.427 2.427 4.032 -1.605 17950 5261 1 15 . 1 1 50 50 LYS C C 50 178.745 178.745 178.582 0.163 17950 5262 1 15 . 1 1 50 50 LYS CA C 50 59.310 59.310 59.739 -0.429 17950 5263 1 15 . 1 1 50 50 LYS CB C 50 31.906 31.906 32.018 -0.112 17950 5264 1 15 . 1 1 50 50 LYS H H 50 6.788 6.788 8.037 -1.249 17950 5265 1 15 . 1 1 51 51 ASP N N 51 118.721 118.721 120.327 -1.606 17950 5266 1 15 . 1 1 51 51 ASP HA H 51 4.167 4.167 4.410 -0.243 17950 5267 1 15 . 1 1 51 51 ASP C C 51 178.461 178.461 178.561 -0.100 17950 5268 1 15 . 1 1 51 51 ASP CA C 51 56.852 56.852 57.468 -0.616 17950 5269 1 15 . 1 1 51 51 ASP CB C 51 40.475 40.475 40.813 -0.338 17950 5270 1 15 . 1 1 51 51 ASP H H 51 8.203 8.203 8.002 0.201 17950 5271 1 15 . 1 1 52 52 LYS N N 52 121.009 121.009 119.717 1.292 17950 5272 1 15 . 1 1 52 52 LYS HA H 52 3.776 3.776 4.009 -0.233 17950 5273 1 15 . 1 1 52 52 LYS C C 52 178.328 178.328 179.278 -0.950 17950 5274 1 15 . 1 1 52 52 LYS CA C 52 56.841 56.841 59.650 -2.809 17950 5275 1 15 . 1 1 52 52 LYS CB C 52 31.473 31.473 32.246 -0.773 17950 5276 1 15 . 1 1 52 52 LYS H H 52 7.842 7.842 8.090 -0.248 17950 5277 1 15 . 1 1 53 53 TRP N N 53 119.577 119.577 119.687 -0.110 17950 5278 1 15 . 1 1 53 53 TRP HA H 53 4.121 4.121 4.331 -0.210 17950 5279 1 15 . 1 1 53 53 TRP C C 53 178.056 178.056 178.837 -0.781 17950 5280 1 15 . 1 1 53 53 TRP CA C 53 59.505 59.505 59.719 -0.214 17950 5281 1 15 . 1 1 53 53 TRP CB C 53 30.004 30.004 29.559 0.445 17950 5282 1 15 . 1 1 53 53 TRP H H 53 8.469 8.469 8.072 0.397 17950 5283 1 15 . 1 1 54 54 ARG N N 54 117.607 117.607 119.900 -2.293 17950 5284 1 15 . 1 1 54 54 ARG HA H 54 3.721 3.721 3.929 -0.208 17950 5285 1 15 . 1 1 54 54 ARG C C 54 177.399 177.399 178.117 -0.718 17950 5286 1 15 . 1 1 54 54 ARG CA C 54 59.030 59.030 59.661 -0.631 17950 5287 1 15 . 1 1 54 54 ARG CB C 54 29.401 29.401 30.242 -0.841 17950 5288 1 15 . 1 1 54 54 ARG H H 54 7.527 7.527 8.076 -0.549 17950 5289 1 15 . 1 1 55 55 ASN N N 55 115.552 115.552 117.017 -1.465 17950 5290 1 15 . 1 1 55 55 ASN HA H 55 4.387 4.387 4.520 -0.133 17950 5291 1 15 . 1 1 55 55 ASN C C 55 176.869 176.869 177.814 -0.945 17950 5292 1 15 . 1 1 55 55 ASN CA C 55 55.320 55.320 55.909 -0.589 17950 5293 1 15 . 1 1 55 55 ASN CB C 55 39.679 39.679 38.383 1.296 17950 5294 1 15 . 1 1 55 55 ASN H H 55 7.242 7.242 8.362 -1.120 17950 5295 1 15 . 1 1 56 56 ILE N N 56 117.285 117.285 117.336 -0.051 17950 5296 1 15 . 1 1 56 56 ILE HA H 56 3.768 3.768 4.095 -0.327 17950 5297 1 15 . 1 1 56 56 ILE C C 56 176.781 176.781 176.932 -0.151 17950 5298 1 15 . 1 1 56 56 ILE CA C 56 62.932 62.932 63.091 -0.159 17950 5299 1 15 . 1 1 56 56 ILE CB C 56 38.341 38.341 38.168 0.173 17950 5300 1 15 . 1 1 56 56 ILE H H 56 7.760 7.760 7.683 0.077 17950 5301 1 15 . 1 1 57 57 SER N N 57 116.184 116.184 114.242 1.942 17950 5302 1 15 . 1 1 57 57 SER HA H 57 3.676 3.676 4.533 -0.857 17950 5303 1 15 . 1 1 57 57 SER C C 57 174.964 174.964 175.160 -0.196 17950 5304 1 15 . 1 1 57 57 SER CA C 57 59.435 59.435 59.294 0.141 17950 5305 1 15 . 1 1 57 57 SER CB C 57 63.062 63.062 63.471 -0.409 17950 5306 1 15 . 1 1 57 57 SER H H 57 7.635 7.635 7.427 0.208 17950 5307 1 15 . 1 1 58 58 VAL N N 58 119.671 119.671 120.342 -0.671 17950 5308 1 15 . 1 1 58 58 VAL HA H 58 3.959 3.959 4.143 -0.184 17950 5309 1 15 . 1 1 58 58 VAL C C 58 176.787 176.787 175.811 0.976 17950 5310 1 15 . 1 1 58 58 VAL CA C 58 63.249 63.249 63.045 0.204 17950 5311 1 15 . 1 1 58 58 VAL CB C 58 31.964 31.964 32.775 -0.811 17950 5312 1 15 . 1 1 58 58 VAL H H 58 7.454 7.454 7.424 0.030 17950 5313 1 15 . 1 1 59 59 THR N N 59 114.912 114.912 115.407 -0.495 17950 5314 1 15 . 1 1 59 59 THR HA H 59 3.924 3.924 4.602 -0.678 17950 5315 1 15 . 1 1 59 59 THR C C 59 174.839 174.839 173.952 0.887 17950 5316 1 15 . 1 1 59 59 THR CA C 59 62.616 62.616 60.925 1.690 17950 5317 1 15 . 1 1 59 59 THR CB C 59 69.358 69.358 68.213 1.145 17950 5318 1 15 . 1 1 59 59 THR H H 59 7.681 7.681 8.045 -0.364 17950 5319 1 15 . 1 1 60 60 ALA N N 60 124.969 124.969 128.172 -3.203 17950 5320 1 15 . 1 1 60 60 ALA HA H 60 4.094 4.094 4.618 -0.524 17950 5321 1 15 . 1 1 60 60 ALA C C 60 177.636 177.636 177.165 0.471 17950 5322 1 15 . 1 1 60 60 ALA CA C 60 52.909 52.909 53.292 -0.383 17950 5323 1 15 . 1 1 60 60 ALA CB C 60 18.757 18.757 19.560 -0.803 17950 5324 1 15 . 1 1 60 60 ALA H H 60 7.939 7.939 8.288 -0.349 17950 5325 1 15 . 1 1 61 61 LEU N N 61 119.572 119.572 113.299 6.273 17950 5326 1 15 . 1 1 61 61 LEU HA H 61 4.150 4.150 4.637 -0.487 17950 5327 1 15 . 1 1 61 61 LEU C C 61 177.260 177.260 176.660 0.600 17950 5328 1 15 . 1 1 61 61 LEU CA C 61 55.183 55.183 54.516 0.667 17950 5329 1 15 . 1 1 61 61 LEU CB C 61 41.901 41.901 42.495 -0.594 17950 5330 1 15 . 1 1 61 61 LEU H H 61 7.812 7.812 7.721 0.091 17950 5331 1 15 . 1 1 62 62 TRP N N 62 120.635 120.635 121.435 -0.800 17950 5332 1 15 . 1 1 62 62 TRP HA H 62 4.617 4.617 4.481 0.136 17950 5333 1 15 . 1 1 62 62 TRP C C 62 176.752 176.752 176.840 -0.088 17950 5334 1 15 . 1 1 62 62 TRP CA C 62 57.262 57.262 58.656 -1.394 17950 5335 1 15 . 1 1 62 62 TRP CB C 62 29.579 29.579 27.926 1.653 17950 5336 1 15 . 1 1 62 62 TRP H H 62 7.851 7.851 7.898 -0.047 17950 5337 1 15 . 1 1 63 63 GLY N N 63 110.695 110.695 111.902 -1.207 17950 5338 1 15 . 1 1 63 63 GLY C C 63 173.238 173.238 174.499 -1.261 17950 5339 1 15 . 1 1 63 63 GLY CA C 63 45.357 45.357 44.646 0.711 17950 5340 1 15 . 1 1 63 63 GLY H H 63 8.132 8.132 8.045 0.087 17950 5341 1 16 . 1 1 2 2 GLY N N 2 110.542 110.542 109.536 1.006 17950 5342 1 16 . 1 1 2 2 GLY C C 2 173.237 173.237 172.313 0.924 17950 5343 1 16 . 1 1 2 2 GLY CA C 2 44.918 44.918 45.143 -0.225 17950 5344 1 16 . 1 1 2 2 GLY H H 2 8.335 8.335 8.762 -0.427 17950 5345 1 16 . 1 1 3 3 ALA N N 3 124.917 124.917 125.053 -0.136 17950 5346 1 16 . 1 1 3 3 ALA HA H 3 4.513 4.513 5.280 -0.767 17950 5347 1 16 . 1 1 3 3 ALA CA C 3 50.370 50.370 51.282 -0.912 17950 5348 1 16 . 1 1 3 3 ALA CB C 3 18.052 18.052 20.587 -2.535 17950 5349 1 16 . 1 1 3 3 ALA H H 3 8.069 8.069 8.675 -0.606 17950 5350 1 16 . 1 1 4 4 PRO HA H 4 4.341 4.341 4.321 0.020 17950 5351 1 16 . 1 1 4 4 PRO C C 4 177.068 177.068 176.723 0.345 17950 5352 1 16 . 1 1 4 4 PRO CA C 4 63.007 63.007 63.294 -0.287 17950 5353 1 16 . 1 1 4 4 PRO CB C 4 32.015 32.015 32.083 -0.068 17950 5354 1 16 . 1 1 5 5 LYS N N 5 121.494 121.494 116.114 5.380 17950 5355 1 16 . 1 1 5 5 LYS HA H 5 4.180 4.180 3.980 0.200 17950 5356 1 16 . 1 1 5 5 LYS C C 5 176.697 176.697 176.103 0.594 17950 5357 1 16 . 1 1 5 5 LYS CA C 5 56.140 56.140 57.078 -0.938 17950 5358 1 16 . 1 1 5 5 LYS CB C 5 32.871 32.871 29.495 3.376 17950 5359 1 16 . 1 1 5 5 LYS H H 5 8.376 8.376 8.592 -0.216 17950 5360 1 16 . 1 1 6 6 GLN N N 6 121.572 121.572 118.119 3.453 17950 5361 1 16 . 1 1 6 6 GLN HA H 6 4.230 4.230 4.283 -0.053 17950 5362 1 16 . 1 1 6 6 GLN C C 6 176.847 176.847 176.741 0.106 17950 5363 1 16 . 1 1 6 6 GLN CA C 6 55.634 55.634 56.999 -1.365 17950 5364 1 16 . 1 1 6 6 GLN CB C 6 29.290 29.290 29.781 -0.491 17950 5365 1 16 . 1 1 6 6 GLN H H 6 8.438 8.438 8.428 0.010 17950 5366 1 16 . 1 1 7 7 LYS N N 7 125.757 125.757 117.495 8.262 17950 5367 1 16 . 1 1 7 7 LYS HA H 7 4.259 4.259 4.297 -0.038 17950 5368 1 16 . 1 1 7 7 LYS C C 7 176.770 176.770 175.665 1.105 17950 5369 1 16 . 1 1 7 7 LYS CA C 7 56.899 56.899 56.475 0.424 17950 5370 1 16 . 1 1 7 7 LYS CB C 7 32.782 32.782 33.855 -1.073 17950 5371 1 16 . 1 1 7 7 LYS H H 7 8.500 8.500 7.904 0.596 17950 5372 1 16 . 1 1 8 8 TRP N N 8 125.581 125.581 119.054 6.527 17950 5373 1 16 . 1 1 8 8 TRP HA H 8 4.504 4.504 4.787 -0.283 17950 5374 1 16 . 1 1 8 8 TRP C C 8 177.459 177.459 173.866 3.593 17950 5375 1 16 . 1 1 8 8 TRP CA C 8 57.777 57.777 56.530 1.247 17950 5376 1 16 . 1 1 8 8 TRP CB C 8 28.836 28.836 29.820 -0.984 17950 5377 1 16 . 1 1 8 8 TRP H H 8 8.959 8.959 7.091 1.868 17950 5378 1 16 . 1 1 9 9 THR N N 9 115.986 115.986 112.153 3.833 17950 5379 1 16 . 1 1 9 9 THR HA H 9 4.759 4.759 4.967 -0.208 17950 5380 1 16 . 1 1 9 9 THR CA C 9 59.565 59.565 58.923 0.642 17950 5381 1 16 . 1 1 9 9 THR CB C 9 68.786 68.786 70.487 -1.701 17950 5382 1 16 . 1 1 9 9 THR H H 9 9.105 9.105 8.423 0.682 17950 5383 1 16 . 1 1 10 10 PRO HA H 10 4.369 4.369 4.399 -0.030 17950 5384 1 16 . 1 1 10 10 PRO C C 10 180.115 180.115 178.608 1.507 17950 5385 1 16 . 1 1 10 10 PRO CA C 10 65.387 65.387 65.057 0.330 17950 5386 1 16 . 1 1 10 10 PRO CB C 10 31.739 31.739 32.048 -0.309 17950 5387 1 16 . 1 1 11 11 GLU N N 11 118.329 118.329 118.712 -0.383 17950 5388 1 16 . 1 1 11 11 GLU HA H 11 4.065 4.065 4.087 -0.022 17950 5389 1 16 . 1 1 11 11 GLU C C 11 180.122 180.122 178.898 1.224 17950 5390 1 16 . 1 1 11 11 GLU CA C 11 60.640 60.640 59.967 0.673 17950 5391 1 16 . 1 1 11 11 GLU CB C 11 28.680 28.680 29.245 -0.565 17950 5392 1 16 . 1 1 11 11 GLU H H 11 9.009 9.009 9.105 -0.096 17950 5393 1 16 . 1 1 12 12 GLU N N 12 121.178 121.178 118.710 2.468 17950 5394 1 16 . 1 1 12 12 GLU HA H 12 3.857 3.857 4.021 -0.164 17950 5395 1 16 . 1 1 12 12 GLU C C 12 179.021 179.021 178.842 0.179 17950 5396 1 16 . 1 1 12 12 GLU CA C 12 59.900 59.900 59.328 0.572 17950 5397 1 16 . 1 1 12 12 GLU CB C 12 32.276 32.276 29.426 2.850 17950 5398 1 16 . 1 1 12 12 GLU H H 12 7.952 7.952 7.769 0.183 17950 5399 1 16 . 1 1 13 13 GLU N N 13 118.771 118.771 120.059 -1.288 17950 5400 1 16 . 1 1 13 13 GLU HA H 13 3.928 3.928 3.957 -0.029 17950 5401 1 16 . 1 1 13 13 GLU C C 13 178.499 178.499 178.927 -0.428 17950 5402 1 16 . 1 1 13 13 GLU CA C 13 61.052 61.052 59.342 1.710 17950 5403 1 16 . 1 1 13 13 GLU CB C 13 29.552 29.552 29.436 0.116 17950 5404 1 16 . 1 1 13 13 GLU H H 13 8.446 8.446 7.606 0.840 17950 5405 1 16 . 1 1 14 14 ALA N N 14 120.274 120.274 120.953 -0.679 17950 5406 1 16 . 1 1 14 14 ALA HA H 14 4.095 4.095 4.078 0.017 17950 5407 1 16 . 1 1 14 14 ALA C C 14 180.719 180.719 179.566 1.153 17950 5408 1 16 . 1 1 14 14 ALA CA C 14 55.053 55.053 54.867 0.186 17950 5409 1 16 . 1 1 14 14 ALA CB C 14 18.019 18.019 18.127 -0.108 17950 5410 1 16 . 1 1 14 14 ALA H H 14 8.434 8.434 8.173 0.261 17950 5411 1 16 . 1 1 15 15 ALA N N 15 122.356 122.356 121.881 0.475 17950 5412 1 16 . 1 1 15 15 ALA HA H 15 4.381 4.381 3.838 0.543 17950 5413 1 16 . 1 1 15 15 ALA C C 15 178.553 178.553 179.330 -0.777 17950 5414 1 16 . 1 1 15 15 ALA CA C 15 54.786 54.786 54.671 0.115 17950 5415 1 16 . 1 1 15 15 ALA CB C 15 18.779 18.779 18.261 0.518 17950 5416 1 16 . 1 1 15 15 ALA H H 15 7.900 7.900 7.788 0.112 17950 5417 1 16 . 1 1 16 16 LEU N N 16 118.626 118.626 120.140 -1.514 17950 5418 1 16 . 1 1 16 16 LEU HA H 16 3.921 3.921 3.900 0.021 17950 5419 1 16 . 1 1 16 16 LEU C C 16 177.536 177.536 178.555 -1.019 17950 5420 1 16 . 1 1 16 16 LEU CA C 16 58.384 58.384 58.364 0.021 17950 5421 1 16 . 1 1 16 16 LEU CB C 16 42.189 42.189 42.125 0.064 17950 5422 1 16 . 1 1 16 16 LEU H H 16 8.182 8.182 8.008 0.174 17950 5423 1 16 . 1 1 17 17 LYS N N 17 117.009 117.009 118.933 -1.924 17950 5424 1 16 . 1 1 17 17 LYS HA H 17 3.906 3.906 3.891 0.015 17950 5425 1 16 . 1 1 17 17 LYS C C 17 178.796 178.796 178.840 -0.044 17950 5426 1 16 . 1 1 17 17 LYS CA C 17 60.496 60.496 59.629 0.867 17950 5427 1 16 . 1 1 17 17 LYS CB C 17 32.720 32.720 31.838 0.882 17950 5428 1 16 . 1 1 17 17 LYS H H 17 8.029 8.029 8.012 0.017 17950 5429 1 16 . 1 1 18 18 ALA N N 18 121.422 121.422 120.627 0.795 17950 5430 1 16 . 1 1 18 18 ALA HA H 18 4.021 4.021 4.049 -0.028 17950 5431 1 16 . 1 1 18 18 ALA C C 18 180.627 180.627 179.750 0.877 17950 5432 1 16 . 1 1 18 18 ALA CA C 18 54.752 54.752 54.876 -0.124 17950 5433 1 16 . 1 1 18 18 ALA CB C 18 18.405 18.405 17.941 0.464 17950 5434 1 16 . 1 1 18 18 ALA H H 18 8.174 8.174 7.983 0.191 17950 5435 1 16 . 1 1 19 19 GLY N N 19 110.862 110.862 106.792 4.070 17950 5436 1 16 . 1 1 19 19 GLY C C 19 174.803 174.803 176.246 -1.443 17950 5437 1 16 . 1 1 19 19 GLY CA C 19 47.190 47.190 46.862 0.327 17950 5438 1 16 . 1 1 19 19 GLY H H 19 8.503 8.503 7.426 1.077 17950 5439 1 16 . 1 1 20 20 VAL N N 20 123.677 123.677 122.922 0.755 17950 5440 1 16 . 1 1 20 20 VAL HA H 20 3.166 3.166 4.037 -0.871 17950 5441 1 16 . 1 1 20 20 VAL C C 20 179.632 179.632 178.353 1.279 17950 5442 1 16 . 1 1 20 20 VAL CA C 20 65.603 65.603 66.508 -0.905 17950 5443 1 16 . 1 1 20 20 VAL CB C 20 30.946 30.946 31.779 -0.833 17950 5444 1 16 . 1 1 20 20 VAL H H 20 8.106 8.106 7.704 0.402 17950 5445 1 16 . 1 1 21 21 LEU N N 21 122.348 122.348 118.165 4.183 17950 5446 1 16 . 1 1 21 21 LEU HA H 21 3.894 3.894 4.124 -0.230 17950 5447 1 16 . 1 1 21 21 LEU C C 21 178.085 178.085 178.429 -0.344 17950 5448 1 16 . 1 1 21 21 LEU CA C 21 58.028 58.028 56.991 1.037 17950 5449 1 16 . 1 1 21 21 LEU CB C 21 41.401 41.401 42.175 -0.774 17950 5450 1 16 . 1 1 21 21 LEU H H 21 7.817 7.817 7.684 0.133 17950 5451 1 16 . 1 1 22 22 LYS N N 22 117.663 117.663 117.602 0.061 17950 5452 1 16 . 1 1 22 22 LYS HA H 22 3.837 3.837 4.033 -0.196 17950 5453 1 16 . 1 1 22 22 LYS C C 22 177.740 177.740 177.864 -0.124 17950 5454 1 16 . 1 1 22 22 LYS CA C 22 59.206 59.206 58.785 0.421 17950 5455 1 16 . 1 1 22 22 LYS CB C 22 35.176 35.176 32.448 2.728 17950 5456 1 16 . 1 1 22 22 LYS H H 22 7.520 7.520 7.780 -0.260 17950 5457 1 16 . 1 1 23 23 HIS N N 23 113.904 113.904 114.500 -0.596 17950 5458 1 16 . 1 1 23 23 HIS HA H 23 4.625 4.625 4.683 -0.058 17950 5459 1 16 . 1 1 23 23 HIS C C 23 176.122 176.122 175.219 0.903 17950 5460 1 16 . 1 1 23 23 HIS CA C 23 57.211 57.211 56.031 1.180 17950 5461 1 16 . 1 1 23 23 HIS CB C 23 33.414 33.414 33.674 -0.260 17950 5462 1 16 . 1 1 23 23 HIS H H 23 8.311 8.311 7.684 0.627 17950 5463 1 16 . 1 1 24 24 GLY N N 24 110.098 110.098 106.826 3.272 17950 5464 1 16 . 1 1 24 24 GLY C C 24 173.041 173.041 172.622 0.419 17950 5465 1 16 . 1 1 24 24 GLY CA C 24 43.563 43.563 45.265 -1.702 17950 5466 1 16 . 1 1 24 24 GLY H H 24 8.158 8.158 7.694 0.464 17950 5467 1 16 . 1 1 25 25 THR N N 25 108.590 108.590 112.526 -3.936 17950 5468 1 16 . 1 1 25 25 THR HA H 25 3.123 3.123 4.401 -1.278 17950 5469 1 16 . 1 1 25 25 THR C C 25 174.866 174.866 173.898 0.968 17950 5470 1 16 . 1 1 25 25 THR CA C 25 61.992 61.992 61.539 0.453 17950 5471 1 16 . 1 1 25 25 THR CB C 25 69.110 69.110 68.303 0.807 17950 5472 1 16 . 1 1 25 25 THR H H 25 7.826 7.826 8.285 -0.459 17950 5473 1 16 . 1 1 26 26 GLY N N 26 106.794 106.794 108.246 -1.452 17950 5474 1 16 . 1 1 26 26 GLY C C 26 173.988 173.988 173.394 0.594 17950 5475 1 16 . 1 1 26 26 GLY CA C 26 45.639 45.639 44.744 0.895 17950 5476 1 16 . 1 1 26 26 GLY H H 26 5.553 5.553 7.161 -1.608 17950 5477 1 16 . 1 1 27 27 LYS N N 27 122.617 122.617 121.964 0.653 17950 5478 1 16 . 1 1 27 27 LYS HA H 27 4.499 4.499 4.415 0.084 17950 5479 1 16 . 1 1 27 27 LYS C C 27 176.586 176.586 175.757 0.829 17950 5480 1 16 . 1 1 27 27 LYS CA C 27 53.590 53.590 54.666 -1.076 17950 5481 1 16 . 1 1 27 27 LYS CB C 27 30.298 30.298 30.848 -0.550 17950 5482 1 16 . 1 1 27 27 LYS H H 27 7.025 7.025 7.326 -0.301 17950 5483 1 16 . 1 1 28 28 TRP N N 28 119.816 119.816 122.552 -2.736 17950 5484 1 16 . 1 1 28 28 TRP HA H 28 4.130 4.130 4.363 -0.233 17950 5485 1 16 . 1 1 28 28 TRP C C 28 178.012 178.012 177.663 0.349 17950 5486 1 16 . 1 1 28 28 TRP CA C 28 58.414 58.414 60.327 -1.913 17950 5487 1 16 . 1 1 28 28 TRP CB C 28 30.008 30.008 28.967 1.041 17950 5488 1 16 . 1 1 28 28 TRP H H 28 6.384 6.384 7.648 -1.264 17950 5489 1 16 . 1 1 29 29 ARG N N 29 115.616 115.616 119.444 -3.828 17950 5490 1 16 . 1 1 29 29 ARG HA H 29 3.963 3.963 4.169 -0.206 17950 5491 1 16 . 1 1 29 29 ARG C C 29 178.821 178.821 177.955 0.866 17950 5492 1 16 . 1 1 29 29 ARG CA C 29 59.381 59.381 59.344 0.037 17950 5493 1 16 . 1 1 29 29 ARG CB C 29 29.366 29.366 29.132 0.234 17950 5494 1 16 . 1 1 29 29 ARG H H 29 8.465 8.465 8.519 -0.054 17950 5495 1 16 . 1 1 30 30 THR N N 30 118.439 118.439 115.725 2.714 17950 5496 1 16 . 1 1 30 30 THR HA H 30 3.594 3.594 4.103 -0.509 17950 5497 1 16 . 1 1 30 30 THR C C 30 176.351 176.351 176.559 -0.208 17950 5498 1 16 . 1 1 30 30 THR CA C 30 66.347 66.347 67.069 -0.722 17950 5499 1 16 . 1 1 30 30 THR CB C 30 68.157 68.157 68.459 -0.302 17950 5500 1 16 . 1 1 30 30 THR H H 30 7.451 7.451 7.967 -0.516 17950 5501 1 16 . 1 1 31 31 ILE N N 31 121.530 121.530 121.232 0.298 17950 5502 1 16 . 1 1 31 31 ILE HA H 31 3.403 3.403 3.827 -0.424 17950 5503 1 16 . 1 1 31 31 ILE C C 31 176.326 176.326 177.163 -0.837 17950 5504 1 16 . 1 1 31 31 ILE CA C 31 66.885 66.885 65.313 1.572 17950 5505 1 16 . 1 1 31 31 ILE CB C 31 38.320 38.320 37.967 0.353 17950 5506 1 16 . 1 1 31 31 ILE H H 31 7.551 7.551 7.748 -0.197 17950 5507 1 16 . 1 1 32 32 LEU N N 32 113.721 113.721 117.666 -3.945 17950 5508 1 16 . 1 1 32 32 LEU HA H 32 3.871 3.871 4.225 -0.354 17950 5509 1 16 . 1 1 32 32 LEU C C 32 177.633 177.633 177.803 -0.170 17950 5510 1 16 . 1 1 32 32 LEU CA C 32 56.846 56.846 56.851 -0.005 17950 5511 1 16 . 1 1 32 32 LEU CB C 32 42.246 42.246 42.550 -0.304 17950 5512 1 16 . 1 1 32 32 LEU H H 32 7.317 7.317 7.872 -0.555 17950 5513 1 16 . 1 1 33 33 SER N N 33 110.515 110.515 112.324 -1.809 17950 5514 1 16 . 1 1 33 33 SER HA H 33 4.442 4.442 4.348 0.095 17950 5515 1 16 . 1 1 33 33 SER C C 33 173.479 173.479 174.416 -0.937 17950 5516 1 16 . 1 1 33 33 SER CA C 33 58.210 58.210 59.461 -1.251 17950 5517 1 16 . 1 1 33 33 SER CB C 33 64.194 64.194 63.967 0.227 17950 5518 1 16 . 1 1 33 33 SER H H 33 7.389 7.389 7.754 -0.365 17950 5519 1 16 . 1 1 34 34 ASP N N 34 125.920 125.920 122.758 3.162 17950 5520 1 16 . 1 1 34 34 ASP HA H 34 4.617 4.617 4.653 -0.036 17950 5521 1 16 . 1 1 34 34 ASP C C 34 178.020 178.020 177.315 0.705 17950 5522 1 16 . 1 1 34 34 ASP CA C 34 53.652 53.652 54.264 -0.612 17950 5523 1 16 . 1 1 34 34 ASP CB C 34 42.056 42.056 41.001 1.055 17950 5524 1 16 . 1 1 34 34 ASP H H 34 7.426 7.426 8.173 -0.747 17950 5525 1 16 . 1 1 35 35 THR N N 35 122.180 122.180 123.048 -0.868 17950 5526 1 16 . 1 1 35 35 THR HA H 35 4.223 4.223 3.948 0.275 17950 5527 1 16 . 1 1 35 35 THR C C 35 175.997 175.997 176.474 -0.477 17950 5528 1 16 . 1 1 35 35 THR CA C 35 64.686 64.686 66.258 -1.572 17950 5529 1 16 . 1 1 35 35 THR CB C 35 68.728 68.728 68.880 -0.152 17950 5530 1 16 . 1 1 35 35 THR H H 35 8.689 8.689 8.536 0.153 17950 5531 1 16 . 1 1 36 36 GLU N N 36 122.403 122.403 122.063 0.340 17950 5532 1 16 . 1 1 36 36 GLU HA H 36 3.698 3.698 3.898 -0.200 17950 5533 1 16 . 1 1 36 36 GLU C C 36 177.497 177.497 176.625 0.872 17950 5534 1 16 . 1 1 36 36 GLU CA C 36 59.317 59.317 58.766 0.551 17950 5535 1 16 . 1 1 36 36 GLU CB C 36 29.107 29.107 29.436 -0.329 17950 5536 1 16 . 1 1 36 36 GLU H H 36 8.818 8.818 8.004 0.814 17950 5537 1 16 . 1 1 37 37 PHE N N 37 114.348 114.348 114.967 -0.619 17950 5538 1 16 . 1 1 37 37 PHE HA H 37 4.857 4.857 4.814 0.043 17950 5539 1 16 . 1 1 37 37 PHE C C 37 177.191 177.191 174.872 2.319 17950 5540 1 16 . 1 1 37 37 PHE CA C 37 56.463 56.463 56.669 -0.206 17950 5541 1 16 . 1 1 37 37 PHE CB C 37 41.086 41.086 39.696 1.390 17950 5542 1 16 . 1 1 37 37 PHE H H 37 7.477 7.477 7.966 -0.489 17950 5543 1 16 . 1 1 38 38 SER N N 38 114.722 114.722 116.635 -1.913 17950 5544 1 16 . 1 1 38 38 SER HA H 38 3.822 3.822 4.641 -0.819 17950 5545 1 16 . 1 1 38 38 SER C C 38 176.516 176.516 175.505 1.011 17950 5546 1 16 . 1 1 38 38 SER CA C 38 61.996 61.996 59.887 2.109 17950 5547 1 16 . 1 1 38 38 SER CB C 38 62.761 62.761 64.056 -1.295 17950 5548 1 16 . 1 1 38 38 SER H H 38 8.546 8.546 7.817 0.729 17950 5549 1 16 . 1 1 39 39 LEU N N 39 121.277 121.277 120.716 0.561 17950 5550 1 16 . 1 1 39 39 LEU HA H 39 4.213 4.213 4.193 0.020 17950 5551 1 16 . 1 1 39 39 LEU C C 39 179.777 179.777 179.000 0.777 17950 5552 1 16 . 1 1 39 39 LEU CA C 39 57.171 57.171 57.510 -0.339 17950 5553 1 16 . 1 1 39 39 LEU CB C 39 41.340 41.340 42.423 -1.083 17950 5554 1 16 . 1 1 39 39 LEU H H 39 8.115 8.115 7.295 0.820 17950 5555 1 16 . 1 1 40 40 ILE N N 40 120.137 120.137 117.415 2.722 17950 5556 1 16 . 1 1 40 40 ILE HA H 40 3.701 3.701 4.036 -0.335 17950 5557 1 16 . 1 1 40 40 ILE C C 40 178.413 178.413 176.706 1.707 17950 5558 1 16 . 1 1 40 40 ILE CA C 40 63.624 63.624 63.758 -0.134 17950 5559 1 16 . 1 1 40 40 ILE CB C 40 38.778 38.778 38.157 0.621 17950 5560 1 16 . 1 1 40 40 ILE H H 40 7.525 7.525 7.951 -0.426 17950 5561 1 16 . 1 1 41 41 LEU N N 41 117.023 117.023 115.687 1.336 17950 5562 1 16 . 1 1 41 41 LEU HA H 41 4.406 4.406 4.779 -0.373 17950 5563 1 16 . 1 1 41 41 LEU C C 41 176.196 176.196 177.050 -0.854 17950 5564 1 16 . 1 1 41 41 LEU CA C 41 54.256 54.256 53.520 0.737 17950 5565 1 16 . 1 1 41 41 LEU CB C 41 41.891 41.891 41.190 0.701 17950 5566 1 16 . 1 1 41 41 LEU H H 41 7.608 7.608 7.886 -0.278 17950 5567 1 16 . 1 1 42 42 LYS N N 42 116.369 116.369 119.502 -3.133 17950 5568 1 16 . 1 1 42 42 LYS HA H 42 4.050 4.050 4.198 -0.148 17950 5569 1 16 . 1 1 42 42 LYS C C 42 177.139 177.139 177.500 -0.361 17950 5570 1 16 . 1 1 42 42 LYS CA C 42 59.111 59.111 58.349 0.762 17950 5571 1 16 . 1 1 42 42 LYS CB C 42 32.553 32.553 31.942 0.611 17950 5572 1 16 . 1 1 42 42 LYS H H 42 6.645 6.645 7.562 -0.917 17950 5573 1 16 . 1 1 43 43 SER N N 43 115.061 115.061 113.608 1.453 17950 5574 1 16 . 1 1 43 43 SER HA H 43 4.407 4.407 4.319 0.088 17950 5575 1 16 . 1 1 43 43 SER C C 43 173.754 173.754 174.559 -0.805 17950 5576 1 16 . 1 1 43 43 SER CA C 43 58.850 58.850 59.646 -0.796 17950 5577 1 16 . 1 1 43 43 SER CB C 43 63.117 63.117 63.539 -0.422 17950 5578 1 16 . 1 1 43 43 SER H H 43 8.443 8.443 8.510 -0.067 17950 5579 1 16 . 1 1 44 44 ARG N N 44 119.658 119.658 119.571 0.087 17950 5580 1 16 . 1 1 44 44 ARG HA H 44 4.674 4.674 4.617 0.057 17950 5581 1 16 . 1 1 44 44 ARG C C 44 174.410 174.410 174.567 -0.157 17950 5582 1 16 . 1 1 44 44 ARG CA C 44 52.244 52.244 53.849 -1.605 17950 5583 1 16 . 1 1 44 44 ARG CB C 44 31.309 31.309 32.133 -0.824 17950 5584 1 16 . 1 1 44 44 ARG H H 44 8.036 8.036 7.303 0.733 17950 5585 1 16 . 1 1 45 45 SER N N 45 116.676 116.676 113.814 2.862 17950 5586 1 16 . 1 1 45 45 SER HA H 45 4.764 4.764 4.693 0.071 17950 5587 1 16 . 1 1 45 45 SER C C 45 175.294 175.294 175.019 0.275 17950 5588 1 16 . 1 1 45 45 SER CA C 45 55.857 55.857 57.116 -1.259 17950 5589 1 16 . 1 1 45 45 SER CB C 45 66.828 66.828 65.501 1.327 17950 5590 1 16 . 1 1 45 45 SER H H 45 9.180 9.180 8.236 0.944 17950 5591 1 16 . 1 1 46 46 ASN N N 46 118.004 118.004 120.601 -2.597 17950 5592 1 16 . 1 1 46 46 ASN HA H 46 3.954 3.954 4.454 -0.500 17950 5593 1 16 . 1 1 46 46 ASN C C 46 176.356 176.356 177.129 -0.773 17950 5594 1 16 . 1 1 46 46 ASN CA C 46 57.734 57.734 56.143 1.591 17950 5595 1 16 . 1 1 46 46 ASN CB C 46 36.901 36.901 37.931 -1.030 17950 5596 1 16 . 1 1 46 46 ASN H H 46 9.005 9.005 8.855 0.150 17950 5597 1 16 . 1 1 47 47 VAL N N 47 119.294 119.294 119.369 -0.075 17950 5598 1 16 . 1 1 47 47 VAL HA H 47 3.422 3.422 3.645 -0.223 17950 5599 1 16 . 1 1 47 47 VAL C C 47 176.899 176.899 177.259 -0.360 17950 5600 1 16 . 1 1 47 47 VAL CA C 47 65.439 65.439 65.750 -0.311 17950 5601 1 16 . 1 1 47 47 VAL CB C 47 31.863 31.863 31.874 -0.011 17950 5602 1 16 . 1 1 47 47 VAL H H 47 7.329 7.329 7.908 -0.579 17950 5603 1 16 . 1 1 48 48 ASP N N 48 120.297 120.297 120.090 0.207 17950 5604 1 16 . 1 1 48 48 ASP HA H 48 4.358 4.358 4.458 -0.100 17950 5605 1 16 . 1 1 48 48 ASP C C 48 179.879 179.879 178.430 1.449 17950 5606 1 16 . 1 1 48 48 ASP CA C 48 57.162 57.162 57.301 -0.140 17950 5607 1 16 . 1 1 48 48 ASP CB C 48 41.040 41.040 40.826 0.214 17950 5608 1 16 . 1 1 48 48 ASP H H 48 7.597 7.597 7.739 -0.142 17950 5609 1 16 . 1 1 49 49 LEU N N 49 119.624 119.624 119.878 -0.254 17950 5610 1 16 . 1 1 49 49 LEU HA H 49 3.824 3.824 4.090 -0.266 17950 5611 1 16 . 1 1 49 49 LEU C C 49 176.207 176.207 178.611 -2.404 17950 5612 1 16 . 1 1 49 49 LEU CA C 49 59.202 59.202 57.906 1.296 17950 5613 1 16 . 1 1 49 49 LEU CB C 49 41.113 41.113 41.484 -0.371 17950 5614 1 16 . 1 1 49 49 LEU H H 49 7.835 7.835 7.498 0.337 17950 5615 1 16 . 1 1 50 50 LYS N N 50 119.306 119.306 119.507 -0.201 17950 5616 1 16 . 1 1 50 50 LYS HA H 50 2.427 2.427 2.244 0.183 17950 5617 1 16 . 1 1 50 50 LYS C C 50 178.745 178.745 178.280 0.465 17950 5618 1 16 . 1 1 50 50 LYS CA C 50 59.310 59.310 58.786 0.524 17950 5619 1 16 . 1 1 50 50 LYS CB C 50 31.906 31.906 31.244 0.662 17950 5620 1 16 . 1 1 50 50 LYS H H 50 6.788 6.788 7.472 -0.684 17950 5621 1 16 . 1 1 51 51 ASP N N 51 118.721 118.721 120.086 -1.365 17950 5622 1 16 . 1 1 51 51 ASP HA H 51 4.167 4.167 4.344 -0.177 17950 5623 1 16 . 1 1 51 51 ASP C C 51 178.461 178.461 178.497 -0.036 17950 5624 1 16 . 1 1 51 51 ASP CA C 51 56.852 56.852 57.136 -0.284 17950 5625 1 16 . 1 1 51 51 ASP CB C 51 40.475 40.475 40.697 -0.222 17950 5626 1 16 . 1 1 51 51 ASP H H 51 8.203 8.203 7.593 0.610 17950 5627 1 16 . 1 1 52 52 LYS N N 52 121.009 121.009 119.204 1.805 17950 5628 1 16 . 1 1 52 52 LYS HA H 52 3.776 3.776 3.949 -0.173 17950 5629 1 16 . 1 1 52 52 LYS C C 52 178.328 178.328 179.003 -0.675 17950 5630 1 16 . 1 1 52 52 LYS CA C 52 56.841 56.841 59.337 -2.496 17950 5631 1 16 . 1 1 52 52 LYS CB C 52 31.473 31.473 32.181 -0.709 17950 5632 1 16 . 1 1 52 52 LYS H H 52 7.842 7.842 8.188 -0.346 17950 5633 1 16 . 1 1 53 53 TRP N N 53 119.577 119.577 120.039 -0.462 17950 5634 1 16 . 1 1 53 53 TRP HA H 53 4.121 4.121 4.332 -0.211 17950 5635 1 16 . 1 1 53 53 TRP C C 53 178.056 178.056 177.909 0.147 17950 5636 1 16 . 1 1 53 53 TRP CA C 53 59.505 59.505 60.757 -1.252 17950 5637 1 16 . 1 1 53 53 TRP CB C 53 30.004 30.004 29.741 0.263 17950 5638 1 16 . 1 1 53 53 TRP H H 53 8.469 8.469 7.769 0.700 17950 5639 1 16 . 1 1 54 54 ARG N N 54 117.607 117.607 119.442 -1.835 17950 5640 1 16 . 1 1 54 54 ARG HA H 54 3.721 3.721 3.886 -0.165 17950 5641 1 16 . 1 1 54 54 ARG C C 54 177.399 177.399 178.245 -0.846 17950 5642 1 16 . 1 1 54 54 ARG CA C 54 59.030 59.030 59.720 -0.690 17950 5643 1 16 . 1 1 54 54 ARG CB C 54 29.401 29.401 29.848 -0.447 17950 5644 1 16 . 1 1 54 54 ARG H H 54 7.527 7.527 7.501 0.026 17950 5645 1 16 . 1 1 55 55 ASN N N 55 115.552 115.552 118.213 -2.661 17950 5646 1 16 . 1 1 55 55 ASN HA H 55 4.387 4.387 4.438 -0.051 17950 5647 1 16 . 1 1 55 55 ASN C C 55 176.869 176.869 177.949 -1.080 17950 5648 1 16 . 1 1 55 55 ASN CA C 55 55.320 55.320 56.037 -0.717 17950 5649 1 16 . 1 1 55 55 ASN CB C 55 39.679 39.679 38.084 1.595 17950 5650 1 16 . 1 1 55 55 ASN H H 55 7.242 7.242 8.049 -0.807 17950 5651 1 16 . 1 1 56 56 ILE N N 56 117.285 117.285 119.063 -1.778 17950 5652 1 16 . 1 1 56 56 ILE HA H 56 3.768 3.768 3.869 -0.101 17950 5653 1 16 . 1 1 56 56 ILE C C 56 176.781 176.781 177.410 -0.629 17950 5654 1 16 . 1 1 56 56 ILE CA C 56 62.932 62.932 64.024 -1.092 17950 5655 1 16 . 1 1 56 56 ILE CB C 56 38.341 38.341 37.754 0.587 17950 5656 1 16 . 1 1 56 56 ILE H H 56 7.760 7.760 7.649 0.111 17950 5657 1 16 . 1 1 57 57 SER N N 57 116.184 116.184 115.198 0.986 17950 5658 1 16 . 1 1 57 57 SER HA H 57 3.676 3.676 4.059 -0.383 17950 5659 1 16 . 1 1 57 57 SER C C 57 174.964 174.964 176.469 -1.505 17950 5660 1 16 . 1 1 57 57 SER CA C 57 59.435 59.435 60.987 -1.552 17950 5661 1 16 . 1 1 57 57 SER CB C 57 63.062 63.062 62.941 0.121 17950 5662 1 16 . 1 1 57 57 SER H H 57 7.635 7.635 7.083 0.552 17950 5663 1 16 . 1 1 58 58 VAL N N 58 119.671 119.671 121.603 -1.932 17950 5664 1 16 . 1 1 58 58 VAL HA H 58 3.959 3.959 3.788 0.171 17950 5665 1 16 . 1 1 58 58 VAL C C 58 176.787 176.787 177.107 -0.320 17950 5666 1 16 . 1 1 58 58 VAL CA C 58 63.249 63.249 65.781 -2.532 17950 5667 1 16 . 1 1 58 58 VAL CB C 58 31.964 31.964 32.400 -0.436 17950 5668 1 16 . 1 1 58 58 VAL H H 58 7.454 7.454 8.159 -0.705 17950 5669 1 16 . 1 1 59 59 THR N N 59 114.912 114.912 112.802 2.110 17950 5670 1 16 . 1 1 59 59 THR HA H 59 3.924 3.924 4.528 -0.604 17950 5671 1 16 . 1 1 59 59 THR C C 59 174.839 174.839 173.357 1.482 17950 5672 1 16 . 1 1 59 59 THR CA C 59 62.616 62.616 60.036 2.580 17950 5673 1 16 . 1 1 59 59 THR CB C 59 69.358 69.358 68.074 1.284 17950 5674 1 16 . 1 1 59 59 THR H H 59 7.681 7.681 7.538 0.143 17950 5675 1 16 . 1 1 60 60 ALA N N 60 124.969 124.969 128.411 -3.442 17950 5676 1 16 . 1 1 60 60 ALA HA H 60 4.094 4.094 4.593 -0.499 17950 5677 1 16 . 1 1 60 60 ALA C C 60 177.636 177.636 177.361 0.275 17950 5678 1 16 . 1 1 60 60 ALA CA C 60 52.909 52.909 53.445 -0.536 17950 5679 1 16 . 1 1 60 60 ALA CB C 60 18.757 18.757 19.653 -0.896 17950 5680 1 16 . 1 1 60 60 ALA H H 60 7.939 7.939 8.076 -0.137 17950 5681 1 16 . 1 1 61 61 LEU N N 61 119.572 119.572 114.044 5.528 17950 5682 1 16 . 1 1 61 61 LEU HA H 61 4.150 4.150 4.599 -0.449 17950 5683 1 16 . 1 1 61 61 LEU C C 61 177.260 177.260 177.392 -0.132 17950 5684 1 16 . 1 1 61 61 LEU CA C 61 55.183 55.183 54.930 0.253 17950 5685 1 16 . 1 1 61 61 LEU CB C 61 41.901 41.901 42.316 -0.414 17950 5686 1 16 . 1 1 61 61 LEU H H 61 7.812 7.812 7.674 0.138 17950 5687 1 16 . 1 1 62 62 TRP N N 62 120.635 120.635 121.991 -1.356 17950 5688 1 16 . 1 1 62 62 TRP HA H 62 4.617 4.617 4.530 0.087 17950 5689 1 16 . 1 1 62 62 TRP C C 62 176.752 176.752 177.503 -0.751 17950 5690 1 16 . 1 1 62 62 TRP CA C 62 57.262 57.262 58.971 -1.709 17950 5691 1 16 . 1 1 62 62 TRP CB C 62 29.579 29.579 29.571 0.008 17950 5692 1 16 . 1 1 62 62 TRP H H 62 7.851 7.851 8.038 -0.187 17950 5693 1 16 . 1 1 63 63 GLY N N 63 110.695 110.695 112.473 -1.778 17950 5694 1 16 . 1 1 63 63 GLY C C 63 173.238 173.238 174.538 -1.300 17950 5695 1 16 . 1 1 63 63 GLY CA C 63 45.357 45.357 44.873 0.484 17950 5696 1 16 . 1 1 63 63 GLY H H 63 8.132 8.132 8.644 -0.512 17950 5697 1 17 . 1 1 2 2 GLY N N 2 110.542 110.542 110.081 0.461 17950 5698 1 17 . 1 1 2 2 GLY C C 2 173.237 173.237 172.177 1.060 17950 5699 1 17 . 1 1 2 2 GLY CA C 2 44.918 44.918 45.018 -0.100 17950 5700 1 17 . 1 1 2 2 GLY H H 2 8.335 8.335 9.392 -1.057 17950 5701 1 17 . 1 1 3 3 ALA N N 3 124.917 124.917 122.059 2.858 17950 5702 1 17 . 1 1 3 3 ALA HA H 3 4.513 4.513 5.236 -0.723 17950 5703 1 17 . 1 1 3 3 ALA CA C 3 50.370 50.370 51.953 -1.583 17950 5704 1 17 . 1 1 3 3 ALA CB C 3 18.052 18.052 20.434 -2.382 17950 5705 1 17 . 1 1 3 3 ALA H H 3 8.069 8.069 8.786 -0.717 17950 5706 1 17 . 1 1 4 4 PRO HA H 4 4.341 4.341 4.379 -0.038 17950 5707 1 17 . 1 1 4 4 PRO C C 4 177.068 177.068 176.815 0.253 17950 5708 1 17 . 1 1 4 4 PRO CA C 4 63.007 63.007 63.493 -0.486 17950 5709 1 17 . 1 1 4 4 PRO CB C 4 32.015 32.015 31.890 0.125 17950 5710 1 17 . 1 1 5 5 LYS N N 5 121.494 121.494 115.974 5.520 17950 5711 1 17 . 1 1 5 5 LYS HA H 5 4.180 4.180 4.014 0.166 17950 5712 1 17 . 1 1 5 5 LYS C C 5 176.697 176.697 176.378 0.319 17950 5713 1 17 . 1 1 5 5 LYS CA C 5 56.140 56.140 57.099 -0.959 17950 5714 1 17 . 1 1 5 5 LYS CB C 5 32.871 32.871 29.962 2.909 17950 5715 1 17 . 1 1 5 5 LYS H H 5 8.376 8.376 8.505 -0.129 17950 5716 1 17 . 1 1 6 6 GLN N N 6 121.572 121.572 116.025 5.547 17950 5717 1 17 . 1 1 6 6 GLN HA H 6 4.230 4.230 4.013 0.216 17950 5718 1 17 . 1 1 6 6 GLN C C 6 176.847 176.847 176.233 0.614 17950 5719 1 17 . 1 1 6 6 GLN CA C 6 55.634 55.634 57.134 -1.500 17950 5720 1 17 . 1 1 6 6 GLN CB C 6 29.290 29.290 28.770 0.520 17950 5721 1 17 . 1 1 6 6 GLN H H 6 8.438 8.438 8.160 0.278 17950 5722 1 17 . 1 1 7 7 LYS N N 7 125.757 125.757 121.532 4.225 17950 5723 1 17 . 1 1 7 7 LYS HA H 7 4.259 4.259 3.942 0.317 17950 5724 1 17 . 1 1 7 7 LYS C C 7 176.770 176.770 176.493 0.277 17950 5725 1 17 . 1 1 7 7 LYS CA C 7 56.899 56.899 55.819 1.080 17950 5726 1 17 . 1 1 7 7 LYS CB C 7 32.782 32.782 32.571 0.211 17950 5727 1 17 . 1 1 7 7 LYS H H 7 8.500 8.500 7.634 0.866 17950 5728 1 17 . 1 1 8 8 TRP N N 8 125.581 125.581 118.146 7.435 17950 5729 1 17 . 1 1 8 8 TRP HA H 8 4.504 4.504 4.638 -0.134 17950 5730 1 17 . 1 1 8 8 TRP C C 8 177.459 177.459 176.567 0.892 17950 5731 1 17 . 1 1 8 8 TRP CA C 8 57.777 57.777 57.252 0.525 17950 5732 1 17 . 1 1 8 8 TRP CB C 8 28.836 28.836 29.883 -1.047 17950 5733 1 17 . 1 1 8 8 TRP H H 8 8.959 8.959 7.871 1.088 17950 5734 1 17 . 1 1 9 9 THR N N 9 115.986 115.986 108.763 7.223 17950 5735 1 17 . 1 1 9 9 THR HA H 9 4.759 4.759 4.927 -0.168 17950 5736 1 17 . 1 1 9 9 THR CA C 9 59.565 59.565 59.070 0.495 17950 5737 1 17 . 1 1 9 9 THR CB C 9 68.786 68.786 70.904 -2.118 17950 5738 1 17 . 1 1 9 9 THR H H 9 9.105 9.105 8.232 0.873 17950 5739 1 17 . 1 1 10 10 PRO HA H 10 4.369 4.369 4.535 -0.166 17950 5740 1 17 . 1 1 10 10 PRO C C 10 180.115 180.115 178.729 1.386 17950 5741 1 17 . 1 1 10 10 PRO CA C 10 65.387 65.387 64.754 0.632 17950 5742 1 17 . 1 1 10 10 PRO CB C 10 31.739 31.739 32.179 -0.440 17950 5743 1 17 . 1 1 11 11 GLU N N 11 118.329 118.329 118.856 -0.527 17950 5744 1 17 . 1 1 11 11 GLU HA H 11 4.065 4.065 4.074 -0.009 17950 5745 1 17 . 1 1 11 11 GLU C C 11 180.122 180.122 178.970 1.152 17950 5746 1 17 . 1 1 11 11 GLU CA C 11 60.640 60.640 60.407 0.233 17950 5747 1 17 . 1 1 11 11 GLU CB C 11 28.680 28.680 29.357 -0.677 17950 5748 1 17 . 1 1 11 11 GLU H H 11 9.009 9.009 9.075 -0.066 17950 5749 1 17 . 1 1 12 12 GLU N N 12 121.178 121.178 118.322 2.856 17950 5750 1 17 . 1 1 12 12 GLU HA H 12 3.857 3.857 4.050 -0.193 17950 5751 1 17 . 1 1 12 12 GLU C C 12 179.021 179.021 178.999 0.022 17950 5752 1 17 . 1 1 12 12 GLU CA C 12 59.900 59.900 59.278 0.622 17950 5753 1 17 . 1 1 12 12 GLU CB C 12 32.276 32.276 29.442 2.834 17950 5754 1 17 . 1 1 12 12 GLU H H 12 7.952 7.952 7.879 0.073 17950 5755 1 17 . 1 1 13 13 GLU N N 13 118.771 118.771 120.206 -1.435 17950 5756 1 17 . 1 1 13 13 GLU HA H 13 3.928 3.928 4.003 -0.075 17950 5757 1 17 . 1 1 13 13 GLU C C 13 178.499 178.499 178.939 -0.440 17950 5758 1 17 . 1 1 13 13 GLU CA C 13 61.052 61.052 59.291 1.761 17950 5759 1 17 . 1 1 13 13 GLU CB C 13 29.552 29.552 29.520 0.031 17950 5760 1 17 . 1 1 13 13 GLU H H 13 8.446 8.446 7.527 0.919 17950 5761 1 17 . 1 1 14 14 ALA N N 14 120.274 120.274 121.026 -0.752 17950 5762 1 17 . 1 1 14 14 ALA HA H 14 4.095 4.095 4.074 0.021 17950 5763 1 17 . 1 1 14 14 ALA C C 14 180.719 180.719 179.490 1.229 17950 5764 1 17 . 1 1 14 14 ALA CA C 14 55.053 55.053 54.882 0.171 17950 5765 1 17 . 1 1 14 14 ALA CB C 14 18.019 18.019 18.128 -0.109 17950 5766 1 17 . 1 1 14 14 ALA H H 14 8.434 8.434 8.528 -0.094 17950 5767 1 17 . 1 1 15 15 ALA N N 15 122.356 122.356 121.764 0.592 17950 5768 1 17 . 1 1 15 15 ALA HA H 15 4.381 4.381 3.490 0.891 17950 5769 1 17 . 1 1 15 15 ALA C C 15 178.553 178.553 178.934 -0.381 17950 5770 1 17 . 1 1 15 15 ALA CA C 15 54.786 54.786 54.577 0.209 17950 5771 1 17 . 1 1 15 15 ALA CB C 15 18.779 18.779 18.337 0.442 17950 5772 1 17 . 1 1 15 15 ALA H H 15 7.900 7.900 7.641 0.259 17950 5773 1 17 . 1 1 16 16 LEU N N 16 118.626 118.626 120.099 -1.473 17950 5774 1 17 . 1 1 16 16 LEU HA H 16 3.921 3.921 3.865 0.056 17950 5775 1 17 . 1 1 16 16 LEU C C 16 177.536 177.536 178.380 -0.844 17950 5776 1 17 . 1 1 16 16 LEU CA C 16 58.384 58.384 58.304 0.080 17950 5777 1 17 . 1 1 16 16 LEU CB C 16 42.189 42.189 42.111 0.078 17950 5778 1 17 . 1 1 16 16 LEU H H 16 8.182 8.182 7.575 0.607 17950 5779 1 17 . 1 1 17 17 LYS N N 17 117.009 117.009 119.067 -2.058 17950 5780 1 17 . 1 1 17 17 LYS HA H 17 3.906 3.906 3.901 0.005 17950 5781 1 17 . 1 1 17 17 LYS C C 17 178.796 178.796 178.861 -0.065 17950 5782 1 17 . 1 1 17 17 LYS CA C 17 60.496 60.496 59.711 0.785 17950 5783 1 17 . 1 1 17 17 LYS CB C 17 32.720 32.720 31.850 0.870 17950 5784 1 17 . 1 1 17 17 LYS H H 17 8.029 8.029 7.929 0.100 17950 5785 1 17 . 1 1 18 18 ALA N N 18 121.422 121.422 120.573 0.849 17950 5786 1 17 . 1 1 18 18 ALA HA H 18 4.021 4.021 4.101 -0.080 17950 5787 1 17 . 1 1 18 18 ALA C C 18 180.627 180.627 179.848 0.779 17950 5788 1 17 . 1 1 18 18 ALA CA C 18 54.752 54.752 54.947 -0.195 17950 5789 1 17 . 1 1 18 18 ALA CB C 18 18.405 18.405 18.086 0.319 17950 5790 1 17 . 1 1 18 18 ALA H H 18 8.174 8.174 7.966 0.208 17950 5791 1 17 . 1 1 19 19 GLY N N 19 110.862 110.862 106.991 3.871 17950 5792 1 17 . 1 1 19 19 GLY C C 19 174.803 174.803 176.179 -1.376 17950 5793 1 17 . 1 1 19 19 GLY CA C 19 47.190 47.190 46.939 0.251 17950 5794 1 17 . 1 1 19 19 GLY H H 19 8.503 8.503 7.370 1.133 17950 5795 1 17 . 1 1 20 20 VAL N N 20 123.677 123.677 122.725 0.952 17950 5796 1 17 . 1 1 20 20 VAL HA H 20 3.166 3.166 3.972 -0.806 17950 5797 1 17 . 1 1 20 20 VAL C C 20 179.632 179.632 177.543 2.089 17950 5798 1 17 . 1 1 20 20 VAL CA C 20 65.603 65.603 66.540 -0.937 17950 5799 1 17 . 1 1 20 20 VAL CB C 20 30.946 30.946 31.818 -0.872 17950 5800 1 17 . 1 1 20 20 VAL H H 20 8.106 8.106 7.808 0.298 17950 5801 1 17 . 1 1 21 21 LEU N N 21 122.348 122.348 117.881 4.467 17950 5802 1 17 . 1 1 21 21 LEU HA H 21 3.894 3.894 4.121 -0.227 17950 5803 1 17 . 1 1 21 21 LEU C C 21 178.085 178.085 178.712 -0.627 17950 5804 1 17 . 1 1 21 21 LEU CA C 21 58.028 58.028 57.271 0.757 17950 5805 1 17 . 1 1 21 21 LEU CB C 21 41.401 41.401 42.129 -0.728 17950 5806 1 17 . 1 1 21 21 LEU H H 21 7.817 7.817 7.615 0.202 17950 5807 1 17 . 1 1 22 22 LYS N N 22 117.663 117.663 117.920 -0.257 17950 5808 1 17 . 1 1 22 22 LYS HA H 22 3.837 3.837 4.047 -0.210 17950 5809 1 17 . 1 1 22 22 LYS C C 22 177.740 177.740 178.197 -0.457 17950 5810 1 17 . 1 1 22 22 LYS CA C 22 59.206 59.206 58.800 0.406 17950 5811 1 17 . 1 1 22 22 LYS CB C 22 35.176 35.176 32.423 2.753 17950 5812 1 17 . 1 1 22 22 LYS H H 22 7.520 7.520 7.765 -0.245 17950 5813 1 17 . 1 1 23 23 HIS N N 23 113.904 113.904 114.847 -0.943 17950 5814 1 17 . 1 1 23 23 HIS HA H 23 4.625 4.625 4.690 -0.065 17950 5815 1 17 . 1 1 23 23 HIS C C 23 176.122 176.122 175.244 0.878 17950 5816 1 17 . 1 1 23 23 HIS CA C 23 57.211 57.211 55.710 1.501 17950 5817 1 17 . 1 1 23 23 HIS CB C 23 33.414 33.414 33.204 0.210 17950 5818 1 17 . 1 1 23 23 HIS H H 23 8.311 8.311 7.784 0.527 17950 5819 1 17 . 1 1 24 24 GLY N N 24 110.098 110.098 106.450 3.648 17950 5820 1 17 . 1 1 24 24 GLY C C 24 173.041 173.041 172.113 0.928 17950 5821 1 17 . 1 1 24 24 GLY CA C 24 43.563 43.563 45.193 -1.630 17950 5822 1 17 . 1 1 24 24 GLY H H 24 8.158 8.158 7.601 0.557 17950 5823 1 17 . 1 1 25 25 THR N N 25 108.590 108.590 111.116 -2.526 17950 5824 1 17 . 1 1 25 25 THR HA H 25 3.123 3.123 4.425 -1.302 17950 5825 1 17 . 1 1 25 25 THR C C 25 174.866 174.866 175.565 -0.699 17950 5826 1 17 . 1 1 25 25 THR CA C 25 61.992 61.992 61.747 0.245 17950 5827 1 17 . 1 1 25 25 THR CB C 25 69.110 69.110 69.741 -0.631 17950 5828 1 17 . 1 1 25 25 THR H H 25 7.826 7.826 8.119 -0.293 17950 5829 1 17 . 1 1 26 26 GLY N N 26 106.794 106.794 110.203 -3.409 17950 5830 1 17 . 1 1 26 26 GLY C C 26 173.988 173.988 173.902 0.086 17950 5831 1 17 . 1 1 26 26 GLY CA C 26 45.639 45.639 44.314 1.325 17950 5832 1 17 . 1 1 26 26 GLY H H 26 5.553 5.553 7.875 -2.322 17950 5833 1 17 . 1 1 27 27 LYS N N 27 122.617 122.617 121.801 0.816 17950 5834 1 17 . 1 1 27 27 LYS HA H 27 4.499 4.499 3.985 0.514 17950 5835 1 17 . 1 1 27 27 LYS C C 27 176.586 176.586 176.444 0.142 17950 5836 1 17 . 1 1 27 27 LYS CA C 27 53.590 53.590 55.254 -1.664 17950 5837 1 17 . 1 1 27 27 LYS CB C 27 30.298 30.298 29.643 0.655 17950 5838 1 17 . 1 1 27 27 LYS H H 27 7.025 7.025 7.232 -0.207 17950 5839 1 17 . 1 1 28 28 TRP N N 28 119.816 119.816 122.362 -2.546 17950 5840 1 17 . 1 1 28 28 TRP HA H 28 4.130 4.130 4.337 -0.207 17950 5841 1 17 . 1 1 28 28 TRP C C 28 178.012 178.012 177.922 0.090 17950 5842 1 17 . 1 1 28 28 TRP CA C 28 58.414 58.414 59.964 -1.550 17950 5843 1 17 . 1 1 28 28 TRP CB C 28 30.008 30.008 28.518 1.490 17950 5844 1 17 . 1 1 28 28 TRP H H 28 6.384 6.384 7.935 -1.551 17950 5845 1 17 . 1 1 29 29 ARG N N 29 115.616 115.616 118.243 -2.627 17950 5846 1 17 . 1 1 29 29 ARG HA H 29 3.963 3.963 4.097 -0.134 17950 5847 1 17 . 1 1 29 29 ARG C C 29 178.821 178.821 178.298 0.523 17950 5848 1 17 . 1 1 29 29 ARG CA C 29 59.381 59.381 59.883 -0.502 17950 5849 1 17 . 1 1 29 29 ARG CB C 29 29.366 29.366 29.797 -0.431 17950 5850 1 17 . 1 1 29 29 ARG H H 29 8.465 8.465 8.537 -0.072 17950 5851 1 17 . 1 1 30 30 THR N N 30 118.439 118.439 116.832 1.607 17950 5852 1 17 . 1 1 30 30 THR HA H 30 3.594 3.594 4.067 -0.473 17950 5853 1 17 . 1 1 30 30 THR C C 30 176.351 176.351 176.865 -0.514 17950 5854 1 17 . 1 1 30 30 THR CA C 30 66.347 66.347 66.151 0.196 17950 5855 1 17 . 1 1 30 30 THR CB C 30 68.157 68.157 68.617 -0.460 17950 5856 1 17 . 1 1 30 30 THR H H 30 7.451 7.451 7.753 -0.302 17950 5857 1 17 . 1 1 31 31 ILE N N 31 121.530 121.530 121.203 0.327 17950 5858 1 17 . 1 1 31 31 ILE HA H 31 3.403 3.403 3.909 -0.506 17950 5859 1 17 . 1 1 31 31 ILE C C 31 176.326 176.326 177.334 -1.008 17950 5860 1 17 . 1 1 31 31 ILE CA C 31 66.885 66.885 65.221 1.664 17950 5861 1 17 . 1 1 31 31 ILE CB C 31 38.320 38.320 37.873 0.447 17950 5862 1 17 . 1 1 31 31 ILE H H 31 7.551 7.551 8.103 -0.552 17950 5863 1 17 . 1 1 32 32 LEU N N 32 113.721 113.721 118.276 -4.555 17950 5864 1 17 . 1 1 32 32 LEU HA H 32 3.871 3.871 4.274 -0.403 17950 5865 1 17 . 1 1 32 32 LEU C C 32 177.633 177.633 178.157 -0.524 17950 5866 1 17 . 1 1 32 32 LEU CA C 32 56.846 56.846 56.504 0.342 17950 5867 1 17 . 1 1 32 32 LEU CB C 32 42.246 42.246 42.471 -0.225 17950 5868 1 17 . 1 1 32 32 LEU H H 32 7.317 7.317 7.940 -0.623 17950 5869 1 17 . 1 1 33 33 SER N N 33 110.515 110.515 112.755 -2.240 17950 5870 1 17 . 1 1 33 33 SER HA H 33 4.442 4.442 4.341 0.101 17950 5871 1 17 . 1 1 33 33 SER C C 33 173.479 173.479 174.785 -1.306 17950 5872 1 17 . 1 1 33 33 SER CA C 33 58.210 58.210 59.428 -1.218 17950 5873 1 17 . 1 1 33 33 SER CB C 33 64.194 64.194 63.460 0.734 17950 5874 1 17 . 1 1 33 33 SER H H 33 7.389 7.389 7.677 -0.288 17950 5875 1 17 . 1 1 34 34 ASP N N 34 125.920 125.920 122.380 3.540 17950 5876 1 17 . 1 1 34 34 ASP HA H 34 4.617 4.617 4.620 -0.003 17950 5877 1 17 . 1 1 34 34 ASP C C 34 178.020 178.020 177.443 0.577 17950 5878 1 17 . 1 1 34 34 ASP CA C 34 53.652 53.652 55.086 -1.434 17950 5879 1 17 . 1 1 34 34 ASP CB C 34 42.056 42.056 42.095 -0.039 17950 5880 1 17 . 1 1 34 34 ASP H H 34 7.426 7.426 8.019 -0.593 17950 5881 1 17 . 1 1 35 35 THR N N 35 122.180 122.180 122.370 -0.190 17950 5882 1 17 . 1 1 35 35 THR HA H 35 4.223 4.223 4.055 0.168 17950 5883 1 17 . 1 1 35 35 THR C C 35 175.997 175.997 175.704 0.293 17950 5884 1 17 . 1 1 35 35 THR CA C 35 64.686 64.686 65.576 -0.890 17950 5885 1 17 . 1 1 35 35 THR CB C 35 68.728 68.728 68.961 -0.233 17950 5886 1 17 . 1 1 35 35 THR H H 35 8.689 8.689 8.486 0.203 17950 5887 1 17 . 1 1 36 36 GLU N N 36 122.403 122.403 120.582 1.821 17950 5888 1 17 . 1 1 36 36 GLU HA H 36 3.698 3.698 3.961 -0.263 17950 5889 1 17 . 1 1 36 36 GLU C C 36 177.497 177.497 176.313 1.184 17950 5890 1 17 . 1 1 36 36 GLU CA C 36 59.317 59.317 57.893 1.424 17950 5891 1 17 . 1 1 36 36 GLU CB C 36 29.107 29.107 29.329 -0.222 17950 5892 1 17 . 1 1 36 36 GLU H H 36 8.818 8.818 7.783 1.035 17950 5893 1 17 . 1 1 37 37 PHE N N 37 114.348 114.348 115.792 -1.444 17950 5894 1 17 . 1 1 37 37 PHE HA H 37 4.857 4.857 4.902 -0.045 17950 5895 1 17 . 1 1 37 37 PHE C C 37 177.191 177.191 175.398 1.793 17950 5896 1 17 . 1 1 37 37 PHE CA C 37 56.463 56.463 56.315 0.148 17950 5897 1 17 . 1 1 37 37 PHE CB C 37 41.086 41.086 39.519 1.567 17950 5898 1 17 . 1 1 37 37 PHE H H 37 7.477 7.477 7.433 0.044 17950 5899 1 17 . 1 1 38 38 SER N N 38 114.722 114.722 116.796 -2.074 17950 5900 1 17 . 1 1 38 38 SER HA H 38 3.822 3.822 4.547 -0.725 17950 5901 1 17 . 1 1 38 38 SER C C 38 176.516 176.516 175.601 0.915 17950 5902 1 17 . 1 1 38 38 SER CA C 38 61.996 61.996 60.178 1.818 17950 5903 1 17 . 1 1 38 38 SER CB C 38 62.761 62.761 64.051 -1.290 17950 5904 1 17 . 1 1 38 38 SER H H 38 8.546 8.546 7.548 0.998 17950 5905 1 17 . 1 1 39 39 LEU N N 39 121.277 121.277 120.078 1.199 17950 5906 1 17 . 1 1 39 39 LEU HA H 39 4.213 4.213 4.201 0.012 17950 5907 1 17 . 1 1 39 39 LEU C C 39 179.777 179.777 179.329 0.448 17950 5908 1 17 . 1 1 39 39 LEU CA C 39 57.171 57.171 57.616 -0.445 17950 5909 1 17 . 1 1 39 39 LEU CB C 39 41.340 41.340 42.325 -0.985 17950 5910 1 17 . 1 1 39 39 LEU H H 39 8.115 8.115 7.609 0.506 17950 5911 1 17 . 1 1 40 40 ILE N N 40 120.137 120.137 118.056 2.081 17950 5912 1 17 . 1 1 40 40 ILE HA H 40 3.701 3.701 3.983 -0.282 17950 5913 1 17 . 1 1 40 40 ILE C C 40 178.413 178.413 176.681 1.732 17950 5914 1 17 . 1 1 40 40 ILE CA C 40 63.624 63.624 63.822 -0.198 17950 5915 1 17 . 1 1 40 40 ILE CB C 40 38.778 38.778 38.027 0.751 17950 5916 1 17 . 1 1 40 40 ILE H H 40 7.525 7.525 8.019 -0.494 17950 5917 1 17 . 1 1 41 41 LEU N N 41 117.023 117.023 115.535 1.488 17950 5918 1 17 . 1 1 41 41 LEU HA H 41 4.406 4.406 4.748 -0.342 17950 5919 1 17 . 1 1 41 41 LEU C C 41 176.196 176.196 175.983 0.213 17950 5920 1 17 . 1 1 41 41 LEU CA C 41 54.256 54.256 53.219 1.037 17950 5921 1 17 . 1 1 41 41 LEU CB C 41 41.891 41.891 41.456 0.435 17950 5922 1 17 . 1 1 41 41 LEU H H 41 7.608 7.608 7.311 0.297 17950 5923 1 17 . 1 1 42 42 LYS N N 42 116.369 116.369 118.256 -1.887 17950 5924 1 17 . 1 1 42 42 LYS HA H 42 4.050 4.050 4.171 -0.121 17950 5925 1 17 . 1 1 42 42 LYS C C 42 177.139 177.139 177.670 -0.531 17950 5926 1 17 . 1 1 42 42 LYS CA C 42 59.111 59.111 58.183 0.928 17950 5927 1 17 . 1 1 42 42 LYS CB C 42 32.553 32.553 32.367 0.186 17950 5928 1 17 . 1 1 42 42 LYS H H 42 6.645 6.645 7.257 -0.612 17950 5929 1 17 . 1 1 43 43 SER N N 43 115.061 115.061 113.580 1.481 17950 5930 1 17 . 1 1 43 43 SER HA H 43 4.407 4.407 4.292 0.115 17950 5931 1 17 . 1 1 43 43 SER C C 43 173.754 173.754 174.592 -0.838 17950 5932 1 17 . 1 1 43 43 SER CA C 43 58.850 58.850 59.468 -0.618 17950 5933 1 17 . 1 1 43 43 SER CB C 43 63.117 63.117 63.385 -0.268 17950 5934 1 17 . 1 1 43 43 SER H H 43 8.443 8.443 8.498 -0.055 17950 5935 1 17 . 1 1 44 44 ARG N N 44 119.658 119.658 118.080 1.578 17950 5936 1 17 . 1 1 44 44 ARG HA H 44 4.674 4.674 4.626 0.048 17950 5937 1 17 . 1 1 44 44 ARG C C 44 174.410 174.410 174.561 -0.151 17950 5938 1 17 . 1 1 44 44 ARG CA C 44 52.244 52.244 54.395 -2.151 17950 5939 1 17 . 1 1 44 44 ARG CB C 44 31.309 31.309 32.053 -0.744 17950 5940 1 17 . 1 1 44 44 ARG H H 44 8.036 8.036 7.366 0.670 17950 5941 1 17 . 1 1 45 45 SER N N 45 116.676 116.676 112.730 3.946 17950 5942 1 17 . 1 1 45 45 SER HA H 45 4.764 4.764 4.744 0.020 17950 5943 1 17 . 1 1 45 45 SER C C 45 175.294 175.294 175.437 -0.143 17950 5944 1 17 . 1 1 45 45 SER CA C 45 55.857 55.857 56.260 -0.403 17950 5945 1 17 . 1 1 45 45 SER CB C 45 66.828 66.828 65.535 1.293 17950 5946 1 17 . 1 1 45 45 SER H H 45 9.180 9.180 8.407 0.773 17950 5947 1 17 . 1 1 46 46 ASN N N 46 118.004 118.004 119.829 -1.825 17950 5948 1 17 . 1 1 46 46 ASN HA H 46 3.954 3.954 4.405 -0.451 17950 5949 1 17 . 1 1 46 46 ASN C C 46 176.356 176.356 177.072 -0.716 17950 5950 1 17 . 1 1 46 46 ASN CA C 46 57.734 57.734 56.054 1.680 17950 5951 1 17 . 1 1 46 46 ASN CB C 46 36.901 36.901 37.816 -0.915 17950 5952 1 17 . 1 1 46 46 ASN H H 46 9.005 9.005 8.719 0.286 17950 5953 1 17 . 1 1 47 47 VAL N N 47 119.294 119.294 118.829 0.465 17950 5954 1 17 . 1 1 47 47 VAL HA H 47 3.422 3.422 3.456 -0.034 17950 5955 1 17 . 1 1 47 47 VAL C C 47 176.899 176.899 177.934 -1.035 17950 5956 1 17 . 1 1 47 47 VAL CA C 47 65.439 65.439 66.560 -1.121 17950 5957 1 17 . 1 1 47 47 VAL CB C 47 31.863 31.863 31.381 0.482 17950 5958 1 17 . 1 1 47 47 VAL H H 47 7.329 7.329 7.972 -0.643 17950 5959 1 17 . 1 1 48 48 ASP N N 48 120.297 120.297 119.533 0.764 17950 5960 1 17 . 1 1 48 48 ASP HA H 48 4.358 4.358 4.385 -0.027 17950 5961 1 17 . 1 1 48 48 ASP C C 48 179.879 179.879 178.694 1.185 17950 5962 1 17 . 1 1 48 48 ASP CA C 48 57.162 57.162 57.716 -0.554 17950 5963 1 17 . 1 1 48 48 ASP CB C 48 41.040 41.040 40.591 0.449 17950 5964 1 17 . 1 1 48 48 ASP H H 48 7.597 7.597 7.761 -0.164 17950 5965 1 17 . 1 1 49 49 LEU N N 49 119.624 119.624 119.490 0.134 17950 5966 1 17 . 1 1 49 49 LEU HA H 49 3.824 3.824 4.138 -0.314 17950 5967 1 17 . 1 1 49 49 LEU C C 49 176.207 176.207 178.487 -2.280 17950 5968 1 17 . 1 1 49 49 LEU CA C 49 59.202 59.202 57.586 1.616 17950 5969 1 17 . 1 1 49 49 LEU CB C 49 41.113 41.113 41.466 -0.353 17950 5970 1 17 . 1 1 49 49 LEU H H 49 7.835 7.835 7.171 0.664 17950 5971 1 17 . 1 1 50 50 LYS N N 50 119.306 119.306 119.816 -0.510 17950 5972 1 17 . 1 1 50 50 LYS HA H 50 2.427 2.427 2.573 -0.146 17950 5973 1 17 . 1 1 50 50 LYS C C 50 178.745 178.745 178.242 0.503 17950 5974 1 17 . 1 1 50 50 LYS CA C 50 59.310 59.310 58.820 0.490 17950 5975 1 17 . 1 1 50 50 LYS CB C 50 31.906 31.906 31.363 0.543 17950 5976 1 17 . 1 1 50 50 LYS H H 50 6.788 6.788 7.679 -0.891 17950 5977 1 17 . 1 1 51 51 ASP N N 51 118.721 118.721 119.795 -1.074 17950 5978 1 17 . 1 1 51 51 ASP HA H 51 4.167 4.167 4.272 -0.105 17950 5979 1 17 . 1 1 51 51 ASP C C 51 178.461 178.461 178.387 0.074 17950 5980 1 17 . 1 1 51 51 ASP CA C 51 56.852 56.852 57.178 -0.326 17950 5981 1 17 . 1 1 51 51 ASP CB C 51 40.475 40.475 40.602 -0.127 17950 5982 1 17 . 1 1 51 51 ASP H H 51 8.203 8.203 8.176 0.027 17950 5983 1 17 . 1 1 52 52 LYS N N 52 121.009 121.009 118.928 2.081 17950 5984 1 17 . 1 1 52 52 LYS HA H 52 3.776 3.776 3.982 -0.206 17950 5985 1 17 . 1 1 52 52 LYS C C 52 178.328 178.328 178.884 -0.556 17950 5986 1 17 . 1 1 52 52 LYS CA C 52 56.841 56.841 59.084 -2.243 17950 5987 1 17 . 1 1 52 52 LYS CB C 52 31.473 31.473 32.212 -0.739 17950 5988 1 17 . 1 1 52 52 LYS H H 52 7.842 7.842 7.767 0.075 17950 5989 1 17 . 1 1 53 53 TRP N N 53 119.577 119.577 120.942 -1.365 17950 5990 1 17 . 1 1 53 53 TRP HA H 53 4.121 4.121 4.299 -0.178 17950 5991 1 17 . 1 1 53 53 TRP C C 53 178.056 178.056 178.311 -0.255 17950 5992 1 17 . 1 1 53 53 TRP CA C 53 59.505 59.505 60.752 -1.247 17950 5993 1 17 . 1 1 53 53 TRP CB C 53 30.004 30.004 29.777 0.227 17950 5994 1 17 . 1 1 53 53 TRP H H 53 8.469 8.469 7.730 0.739 17950 5995 1 17 . 1 1 54 54 ARG N N 54 117.607 117.607 119.285 -1.678 17950 5996 1 17 . 1 1 54 54 ARG HA H 54 3.721 3.721 3.941 -0.220 17950 5997 1 17 . 1 1 54 54 ARG C C 54 177.399 177.399 178.443 -1.044 17950 5998 1 17 . 1 1 54 54 ARG CA C 54 59.030 59.030 59.429 -0.399 17950 5999 1 17 . 1 1 54 54 ARG CB C 54 29.401 29.401 29.939 -0.538 17950 6000 1 17 . 1 1 54 54 ARG H H 54 7.527 7.527 8.273 -0.746 17950 6001 1 17 . 1 1 55 55 ASN N N 55 115.552 115.552 117.407 -1.855 17950 6002 1 17 . 1 1 55 55 ASN HA H 55 4.387 4.387 4.533 -0.146 17950 6003 1 17 . 1 1 55 55 ASN C C 55 176.869 176.869 177.426 -0.557 17950 6004 1 17 . 1 1 55 55 ASN CA C 55 55.320 55.320 55.741 -0.421 17950 6005 1 17 . 1 1 55 55 ASN CB C 55 39.679 39.679 38.422 1.257 17950 6006 1 17 . 1 1 55 55 ASN H H 55 7.242 7.242 7.833 -0.591 17950 6007 1 17 . 1 1 56 56 ILE N N 56 117.285 117.285 116.729 0.556 17950 6008 1 17 . 1 1 56 56 ILE HA H 56 3.768 3.768 3.875 -0.107 17950 6009 1 17 . 1 1 56 56 ILE C C 56 176.781 176.781 176.012 0.769 17950 6010 1 17 . 1 1 56 56 ILE CA C 56 62.932 62.932 63.165 -0.233 17950 6011 1 17 . 1 1 56 56 ILE CB C 56 38.341 38.341 38.273 0.068 17950 6012 1 17 . 1 1 56 56 ILE H H 56 7.760 7.760 7.411 0.349 17950 6013 1 17 . 1 1 57 57 SER N N 57 116.184 116.184 113.196 2.988 17950 6014 1 17 . 1 1 57 57 SER HA H 57 3.676 3.676 4.131 -0.455 17950 6015 1 17 . 1 1 57 57 SER C C 57 174.964 174.964 176.442 -1.478 17950 6016 1 17 . 1 1 57 57 SER CA C 57 59.435 59.435 60.209 -0.774 17950 6017 1 17 . 1 1 57 57 SER CB C 57 63.062 63.062 63.370 -0.308 17950 6018 1 17 . 1 1 57 57 SER H H 57 7.635 7.635 7.289 0.346 17950 6019 1 17 . 1 1 58 58 VAL N N 58 119.671 119.671 120.725 -1.054 17950 6020 1 17 . 1 1 58 58 VAL HA H 58 3.959 3.959 3.909 0.050 17950 6021 1 17 . 1 1 58 58 VAL C C 58 176.787 176.787 176.055 0.732 17950 6022 1 17 . 1 1 58 58 VAL CA C 58 63.249 63.249 64.748 -1.499 17950 6023 1 17 . 1 1 58 58 VAL CB C 58 31.964 31.964 31.890 0.074 17950 6024 1 17 . 1 1 58 58 VAL H H 58 7.454 7.454 7.748 -0.294 17950 6025 1 17 . 1 1 59 59 THR N N 59 114.912 114.912 113.933 0.979 17950 6026 1 17 . 1 1 59 59 THR HA H 59 3.924 3.924 4.524 -0.600 17950 6027 1 17 . 1 1 59 59 THR C C 59 174.839 174.839 173.240 1.599 17950 6028 1 17 . 1 1 59 59 THR CA C 59 62.616 62.616 61.443 1.173 17950 6029 1 17 . 1 1 59 59 THR CB C 59 69.358 69.358 67.834 1.524 17950 6030 1 17 . 1 1 59 59 THR H H 59 7.681 7.681 7.757 -0.076 17950 6031 1 17 . 1 1 60 60 ALA N N 60 124.969 124.969 127.640 -2.671 17950 6032 1 17 . 1 1 60 60 ALA HA H 60 4.094 4.094 4.503 -0.409 17950 6033 1 17 . 1 1 60 60 ALA C C 60 177.636 177.636 177.208 0.428 17950 6034 1 17 . 1 1 60 60 ALA CA C 60 52.909 52.909 53.090 -0.181 17950 6035 1 17 . 1 1 60 60 ALA CB C 60 18.757 18.757 20.038 -1.281 17950 6036 1 17 . 1 1 60 60 ALA H H 60 7.939 7.939 8.051 -0.112 17950 6037 1 17 . 1 1 61 61 LEU N N 61 119.572 119.572 114.854 4.718 17950 6038 1 17 . 1 1 61 61 LEU HA H 61 4.150 4.150 4.503 -0.353 17950 6039 1 17 . 1 1 61 61 LEU C C 61 177.260 177.260 176.912 0.348 17950 6040 1 17 . 1 1 61 61 LEU CA C 61 55.183 55.183 54.929 0.254 17950 6041 1 17 . 1 1 61 61 LEU CB C 61 41.901 41.901 42.186 -0.285 17950 6042 1 17 . 1 1 61 61 LEU H H 61 7.812 7.812 7.849 -0.037 17950 6043 1 17 . 1 1 62 62 TRP N N 62 120.635 120.635 121.670 -1.035 17950 6044 1 17 . 1 1 62 62 TRP HA H 62 4.617 4.617 4.518 0.099 17950 6045 1 17 . 1 1 62 62 TRP C C 62 176.752 176.752 177.390 -0.638 17950 6046 1 17 . 1 1 62 62 TRP CA C 62 57.262 57.262 58.242 -0.980 17950 6047 1 17 . 1 1 62 62 TRP CB C 62 29.579 29.579 29.497 0.083 17950 6048 1 17 . 1 1 62 62 TRP H H 62 7.851 7.851 7.579 0.272 17950 6049 1 17 . 1 1 63 63 GLY N N 63 110.695 110.695 112.772 -2.077 17950 6050 1 17 . 1 1 63 63 GLY C C 63 173.238 173.238 174.263 -1.025 17950 6051 1 17 . 1 1 63 63 GLY CA C 63 45.357 45.357 44.910 0.447 17950 6052 1 17 . 1 1 63 63 GLY H H 63 8.132 8.132 8.698 -0.566 17950 6053 1 18 . 1 1 2 2 GLY N N 2 110.542 110.542 111.128 -0.586 17950 6054 1 18 . 1 1 2 2 GLY C C 2 173.237 173.237 173.643 -0.406 17950 6055 1 18 . 1 1 2 2 GLY CA C 2 44.918 44.918 45.800 -0.882 17950 6056 1 18 . 1 1 2 2 GLY H H 2 8.335 8.335 9.003 -0.668 17950 6057 1 18 . 1 1 3 3 ALA N N 3 124.917 124.917 125.206 -0.289 17950 6058 1 18 . 1 1 3 3 ALA HA H 3 4.513 4.513 4.727 -0.214 17950 6059 1 18 . 1 1 3 3 ALA CA C 3 50.370 50.370 50.541 -0.171 17950 6060 1 18 . 1 1 3 3 ALA CB C 3 18.052 18.052 19.355 -1.303 17950 6061 1 18 . 1 1 3 3 ALA H H 3 8.069 8.069 8.143 -0.074 17950 6062 1 18 . 1 1 4 4 PRO HA H 4 4.341 4.341 4.418 -0.077 17950 6063 1 18 . 1 1 4 4 PRO C C 4 177.068 177.068 175.563 1.505 17950 6064 1 18 . 1 1 4 4 PRO CA C 4 63.007 63.007 63.063 -0.056 17950 6065 1 18 . 1 1 4 4 PRO CB C 4 32.015 32.015 30.152 1.863 17950 6066 1 18 . 1 1 5 5 LYS N N 5 121.494 121.494 122.145 -0.651 17950 6067 1 18 . 1 1 5 5 LYS HA H 5 4.180 4.180 4.625 -0.445 17950 6068 1 18 . 1 1 5 5 LYS C C 5 176.697 176.697 175.642 1.055 17950 6069 1 18 . 1 1 5 5 LYS CA C 5 56.140 56.140 56.144 -0.004 17950 6070 1 18 . 1 1 5 5 LYS CB C 5 32.871 32.871 33.185 -0.314 17950 6071 1 18 . 1 1 5 5 LYS H H 5 8.376 8.376 7.823 0.553 17950 6072 1 18 . 1 1 6 6 GLN N N 6 121.572 121.572 118.323 3.249 17950 6073 1 18 . 1 1 6 6 GLN HA H 6 4.230 4.230 4.421 -0.191 17950 6074 1 18 . 1 1 6 6 GLN C C 6 176.847 176.847 176.040 0.807 17950 6075 1 18 . 1 1 6 6 GLN CA C 6 55.634 55.634 55.659 -0.025 17950 6076 1 18 . 1 1 6 6 GLN CB C 6 29.290 29.290 28.768 0.522 17950 6077 1 18 . 1 1 6 6 GLN H H 6 8.438 8.438 7.908 0.530 17950 6078 1 18 . 1 1 7 7 LYS N N 7 125.757 125.757 121.064 4.693 17950 6079 1 18 . 1 1 7 7 LYS HA H 7 4.259 4.259 4.624 -0.365 17950 6080 1 18 . 1 1 7 7 LYS C C 7 176.770 176.770 174.824 1.946 17950 6081 1 18 . 1 1 7 7 LYS CA C 7 56.899 56.899 56.207 0.692 17950 6082 1 18 . 1 1 7 7 LYS CB C 7 32.782 32.782 32.768 0.014 17950 6083 1 18 . 1 1 7 7 LYS H H 7 8.500 8.500 8.067 0.433 17950 6084 1 18 . 1 1 8 8 TRP N N 8 125.581 125.581 121.562 4.019 17950 6085 1 18 . 1 1 8 8 TRP HA H 8 4.504 4.504 4.901 -0.397 17950 6086 1 18 . 1 1 8 8 TRP C C 8 177.459 177.459 176.408 1.051 17950 6087 1 18 . 1 1 8 8 TRP CA C 8 57.777 57.777 55.787 1.990 17950 6088 1 18 . 1 1 8 8 TRP CB C 8 28.836 28.836 29.810 -0.974 17950 6089 1 18 . 1 1 8 8 TRP H H 8 8.959 8.959 8.141 0.818 17950 6090 1 18 . 1 1 9 9 THR N N 9 115.986 115.986 116.988 -1.002 17950 6091 1 18 . 1 1 9 9 THR HA H 9 4.759 4.759 4.928 -0.169 17950 6092 1 18 . 1 1 9 9 THR CA C 9 59.565 59.565 58.465 1.100 17950 6093 1 18 . 1 1 9 9 THR CB C 9 68.786 68.786 70.445 -1.659 17950 6094 1 18 . 1 1 9 9 THR H H 9 9.105 9.105 8.138 0.967 17950 6095 1 18 . 1 1 10 10 PRO HA H 10 4.369 4.369 4.480 -0.111 17950 6096 1 18 . 1 1 10 10 PRO C C 10 180.115 180.115 178.380 1.735 17950 6097 1 18 . 1 1 10 10 PRO CA C 10 65.387 65.387 64.437 0.950 17950 6098 1 18 . 1 1 10 10 PRO CB C 10 31.739 31.739 32.266 -0.526 17950 6099 1 18 . 1 1 11 11 GLU N N 11 118.329 118.329 119.108 -0.779 17950 6100 1 18 . 1 1 11 11 GLU HA H 11 4.065 4.065 4.001 0.064 17950 6101 1 18 . 1 1 11 11 GLU C C 11 180.122 180.122 178.802 1.320 17950 6102 1 18 . 1 1 11 11 GLU CA C 11 60.640 60.640 60.146 0.494 17950 6103 1 18 . 1 1 11 11 GLU CB C 11 28.680 28.680 29.249 -0.569 17950 6104 1 18 . 1 1 11 11 GLU H H 11 9.009 9.009 9.004 0.005 17950 6105 1 18 . 1 1 12 12 GLU N N 12 121.178 121.178 117.892 3.286 17950 6106 1 18 . 1 1 12 12 GLU HA H 12 3.857 3.857 4.101 -0.244 17950 6107 1 18 . 1 1 12 12 GLU C C 12 179.021 179.021 179.032 -0.011 17950 6108 1 18 . 1 1 12 12 GLU CA C 12 59.900 59.900 59.170 0.730 17950 6109 1 18 . 1 1 12 12 GLU CB C 12 32.276 32.276 29.276 3.000 17950 6110 1 18 . 1 1 12 12 GLU H H 12 7.952 7.952 8.084 -0.132 17950 6111 1 18 . 1 1 13 13 GLU N N 13 118.771 118.771 120.283 -1.512 17950 6112 1 18 . 1 1 13 13 GLU HA H 13 3.928 3.928 3.975 -0.047 17950 6113 1 18 . 1 1 13 13 GLU C C 13 178.499 178.499 178.782 -0.283 17950 6114 1 18 . 1 1 13 13 GLU CA C 13 61.052 61.052 59.189 1.863 17950 6115 1 18 . 1 1 13 13 GLU CB C 13 29.552 29.552 29.471 0.081 17950 6116 1 18 . 1 1 13 13 GLU H H 13 8.446 8.446 7.397 1.049 17950 6117 1 18 . 1 1 14 14 ALA N N 14 120.274 120.274 121.220 -0.946 17950 6118 1 18 . 1 1 14 14 ALA HA H 14 4.095 4.095 3.997 0.098 17950 6119 1 18 . 1 1 14 14 ALA C C 14 180.719 180.719 179.575 1.144 17950 6120 1 18 . 1 1 14 14 ALA CA C 14 55.053 55.053 54.965 0.088 17950 6121 1 18 . 1 1 14 14 ALA CB C 14 18.019 18.019 18.163 -0.144 17950 6122 1 18 . 1 1 14 14 ALA H H 14 8.434 8.434 7.768 0.666 17950 6123 1 18 . 1 1 15 15 ALA N N 15 122.356 122.356 120.655 1.701 17950 6124 1 18 . 1 1 15 15 ALA HA H 15 4.381 4.381 3.621 0.760 17950 6125 1 18 . 1 1 15 15 ALA C C 15 178.553 178.553 178.632 -0.079 17950 6126 1 18 . 1 1 15 15 ALA CA C 15 54.786 54.786 54.268 0.518 17950 6127 1 18 . 1 1 15 15 ALA CB C 15 18.779 18.779 17.787 0.992 17950 6128 1 18 . 1 1 15 15 ALA H H 15 7.900 7.900 7.758 0.142 17950 6129 1 18 . 1 1 16 16 LEU N N 16 118.626 118.626 120.095 -1.469 17950 6130 1 18 . 1 1 16 16 LEU HA H 16 3.921 3.921 3.956 -0.035 17950 6131 1 18 . 1 1 16 16 LEU C C 16 177.536 177.536 178.498 -0.962 17950 6132 1 18 . 1 1 16 16 LEU CA C 16 58.384 58.384 58.504 -0.120 17950 6133 1 18 . 1 1 16 16 LEU CB C 16 42.189 42.189 42.071 0.118 17950 6134 1 18 . 1 1 16 16 LEU H H 16 8.182 8.182 7.809 0.373 17950 6135 1 18 . 1 1 17 17 LYS N N 17 117.009 117.009 118.637 -1.628 17950 6136 1 18 . 1 1 17 17 LYS HA H 17 3.906 3.906 3.916 -0.010 17950 6137 1 18 . 1 1 17 17 LYS C C 17 178.796 178.796 178.887 -0.091 17950 6138 1 18 . 1 1 17 17 LYS CA C 17 60.496 60.496 59.462 1.034 17950 6139 1 18 . 1 1 17 17 LYS CB C 17 32.720 32.720 31.773 0.947 17950 6140 1 18 . 1 1 17 17 LYS H H 17 8.029 8.029 7.629 0.400 17950 6141 1 18 . 1 1 18 18 ALA N N 18 121.422 121.422 120.009 1.413 17950 6142 1 18 . 1 1 18 18 ALA HA H 18 4.021 4.021 4.152 -0.131 17950 6143 1 18 . 1 1 18 18 ALA C C 18 180.627 180.627 179.826 0.801 17950 6144 1 18 . 1 1 18 18 ALA CA C 18 54.752 54.752 54.910 -0.158 17950 6145 1 18 . 1 1 18 18 ALA CB C 18 18.405 18.405 18.065 0.340 17950 6146 1 18 . 1 1 18 18 ALA H H 18 8.174 8.174 7.701 0.473 17950 6147 1 18 . 1 1 19 19 GLY N N 19 110.862 110.862 107.128 3.734 17950 6148 1 18 . 1 1 19 19 GLY C C 19 174.803 174.803 176.168 -1.365 17950 6149 1 18 . 1 1 19 19 GLY CA C 19 47.190 47.190 46.854 0.336 17950 6150 1 18 . 1 1 19 19 GLY H H 19 8.503 8.503 7.576 0.927 17950 6151 1 18 . 1 1 20 20 VAL N N 20 123.677 123.677 122.741 0.936 17950 6152 1 18 . 1 1 20 20 VAL HA H 20 3.166 3.166 3.648 -0.482 17950 6153 1 18 . 1 1 20 20 VAL C C 20 179.632 179.632 177.475 2.157 17950 6154 1 18 . 1 1 20 20 VAL CA C 20 65.603 65.603 66.210 -0.607 17950 6155 1 18 . 1 1 20 20 VAL CB C 20 30.946 30.946 32.101 -1.155 17950 6156 1 18 . 1 1 20 20 VAL H H 20 8.106 8.106 7.591 0.515 17950 6157 1 18 . 1 1 21 21 LEU N N 21 122.348 122.348 118.953 3.395 17950 6158 1 18 . 1 1 21 21 LEU HA H 21 3.894 3.894 4.081 -0.187 17950 6159 1 18 . 1 1 21 21 LEU C C 21 178.085 178.085 178.464 -0.379 17950 6160 1 18 . 1 1 21 21 LEU CA C 21 58.028 58.028 57.418 0.610 17950 6161 1 18 . 1 1 21 21 LEU CB C 21 41.401 41.401 41.768 -0.367 17950 6162 1 18 . 1 1 21 21 LEU H H 21 7.817 7.817 7.734 0.083 17950 6163 1 18 . 1 1 22 22 LYS N N 22 117.663 117.663 118.618 -0.955 17950 6164 1 18 . 1 1 22 22 LYS HA H 22 3.837 3.837 4.065 -0.228 17950 6165 1 18 . 1 1 22 22 LYS C C 22 177.740 177.740 178.566 -0.826 17950 6166 1 18 . 1 1 22 22 LYS CA C 22 59.206 59.206 58.818 0.388 17950 6167 1 18 . 1 1 22 22 LYS CB C 22 35.176 35.176 32.349 2.827 17950 6168 1 18 . 1 1 22 22 LYS H H 22 7.520 7.520 7.617 -0.097 17950 6169 1 18 . 1 1 23 23 HIS N N 23 113.904 113.904 113.310 0.594 17950 6170 1 18 . 1 1 23 23 HIS HA H 23 4.625 4.625 4.738 -0.113 17950 6171 1 18 . 1 1 23 23 HIS C C 23 176.122 176.122 175.279 0.843 17950 6172 1 18 . 1 1 23 23 HIS CA C 23 57.211 57.211 55.791 1.420 17950 6173 1 18 . 1 1 23 23 HIS CB C 23 33.414 33.414 33.007 0.408 17950 6174 1 18 . 1 1 23 23 HIS H H 23 8.311 8.311 7.755 0.556 17950 6175 1 18 . 1 1 24 24 GLY N N 24 110.098 110.098 107.301 2.797 17950 6176 1 18 . 1 1 24 24 GLY C C 24 173.041 173.041 172.758 0.283 17950 6177 1 18 . 1 1 24 24 GLY CA C 24 43.563 43.563 44.600 -1.037 17950 6178 1 18 . 1 1 24 24 GLY H H 24 8.158 8.158 7.549 0.609 17950 6179 1 18 . 1 1 25 25 THR N N 25 108.590 108.590 115.940 -7.350 17950 6180 1 18 . 1 1 25 25 THR HA H 25 3.123 3.123 3.888 -0.765 17950 6181 1 18 . 1 1 25 25 THR C C 25 174.866 174.866 175.632 -0.766 17950 6182 1 18 . 1 1 25 25 THR CA C 25 61.992 61.992 63.836 -1.844 17950 6183 1 18 . 1 1 25 25 THR CB C 25 69.110 69.110 69.141 -0.031 17950 6184 1 18 . 1 1 25 25 THR H H 25 7.826 7.826 8.372 -0.546 17950 6185 1 18 . 1 1 26 26 GLY N N 26 106.794 106.794 115.053 -8.259 17950 6186 1 18 . 1 1 26 26 GLY C C 26 173.988 173.988 174.463 -0.475 17950 6187 1 18 . 1 1 26 26 GLY CA C 26 45.639 45.639 44.218 1.421 17950 6188 1 18 . 1 1 26 26 GLY H H 26 5.553 5.553 7.914 -2.361 17950 6189 1 18 . 1 1 27 27 LYS N N 27 122.617 122.617 122.997 -0.380 17950 6190 1 18 . 1 1 27 27 LYS HA H 27 4.499 4.499 4.395 0.104 17950 6191 1 18 . 1 1 27 27 LYS C C 27 176.586 176.586 176.524 0.062 17950 6192 1 18 . 1 1 27 27 LYS CA C 27 53.590 53.590 53.941 -0.351 17950 6193 1 18 . 1 1 27 27 LYS CB C 27 30.298 30.298 30.386 -0.088 17950 6194 1 18 . 1 1 27 27 LYS H H 27 7.025 7.025 7.436 -0.411 17950 6195 1 18 . 1 1 28 28 TRP N N 28 119.816 119.816 122.689 -2.873 17950 6196 1 18 . 1 1 28 28 TRP HA H 28 4.130 4.130 4.208 -0.078 17950 6197 1 18 . 1 1 28 28 TRP C C 28 178.012 178.012 178.199 -0.187 17950 6198 1 18 . 1 1 28 28 TRP CA C 28 58.414 58.414 60.915 -2.501 17950 6199 1 18 . 1 1 28 28 TRP CB C 28 30.008 30.008 28.395 1.613 17950 6200 1 18 . 1 1 28 28 TRP H H 28 6.384 6.384 7.285 -0.901 17950 6201 1 18 . 1 1 29 29 ARG N N 29 115.616 115.616 118.456 -2.840 17950 6202 1 18 . 1 1 29 29 ARG HA H 29 3.963 3.963 4.066 -0.103 17950 6203 1 18 . 1 1 29 29 ARG C C 29 178.821 178.821 178.240 0.581 17950 6204 1 18 . 1 1 29 29 ARG CA C 29 59.381 59.381 59.809 -0.429 17950 6205 1 18 . 1 1 29 29 ARG CB C 29 29.366 29.366 29.283 0.083 17950 6206 1 18 . 1 1 29 29 ARG H H 29 8.465 8.465 8.488 -0.023 17950 6207 1 18 . 1 1 30 30 THR N N 30 118.439 118.439 116.144 2.295 17950 6208 1 18 . 1 1 30 30 THR HA H 30 3.594 3.594 4.031 -0.437 17950 6209 1 18 . 1 1 30 30 THR C C 30 176.351 176.351 176.975 -0.624 17950 6210 1 18 . 1 1 30 30 THR CA C 30 66.347 66.347 66.010 0.337 17950 6211 1 18 . 1 1 30 30 THR CB C 30 68.157 68.157 68.147 0.009 17950 6212 1 18 . 1 1 30 30 THR H H 30 7.451 7.451 7.980 -0.529 17950 6213 1 18 . 1 1 31 31 ILE N N 31 121.530 121.530 121.353 0.177 17950 6214 1 18 . 1 1 31 31 ILE HA H 31 3.403 3.403 3.714 -0.311 17950 6215 1 18 . 1 1 31 31 ILE C C 31 176.326 176.326 177.153 -0.827 17950 6216 1 18 . 1 1 31 31 ILE CA C 31 66.885 66.885 65.289 1.596 17950 6217 1 18 . 1 1 31 31 ILE CB C 31 38.320 38.320 37.953 0.367 17950 6218 1 18 . 1 1 31 31 ILE H H 31 7.551 7.551 8.261 -0.710 17950 6219 1 18 . 1 1 32 32 LEU N N 32 113.721 113.721 118.234 -4.513 17950 6220 1 18 . 1 1 32 32 LEU HA H 32 3.871 3.871 3.998 -0.127 17950 6221 1 18 . 1 1 32 32 LEU C C 32 177.633 177.633 178.039 -0.406 17950 6222 1 18 . 1 1 32 32 LEU CA C 32 56.846 56.846 56.698 0.148 17950 6223 1 18 . 1 1 32 32 LEU CB C 32 42.246 42.246 42.018 0.228 17950 6224 1 18 . 1 1 32 32 LEU H H 32 7.317 7.317 8.082 -0.765 17950 6225 1 18 . 1 1 33 33 SER N N 33 110.515 110.515 111.193 -0.678 17950 6226 1 18 . 1 1 33 33 SER HA H 33 4.442 4.442 4.343 0.099 17950 6227 1 18 . 1 1 33 33 SER C C 33 173.479 173.479 173.856 -0.377 17950 6228 1 18 . 1 1 33 33 SER CA C 33 58.210 58.210 59.208 -0.998 17950 6229 1 18 . 1 1 33 33 SER CB C 33 64.194 64.194 64.428 -0.234 17950 6230 1 18 . 1 1 33 33 SER H H 33 7.389 7.389 7.475 -0.086 17950 6231 1 18 . 1 1 34 34 ASP N N 34 125.920 125.920 122.297 3.623 17950 6232 1 18 . 1 1 34 34 ASP HA H 34 4.617 4.617 4.597 0.020 17950 6233 1 18 . 1 1 34 34 ASP C C 34 178.020 178.020 177.383 0.637 17950 6234 1 18 . 1 1 34 34 ASP CA C 34 53.652 53.652 54.196 -0.544 17950 6235 1 18 . 1 1 34 34 ASP CB C 34 42.056 42.056 41.297 0.759 17950 6236 1 18 . 1 1 34 34 ASP H H 34 7.426 7.426 7.714 -0.288 17950 6237 1 18 . 1 1 35 35 THR N N 35 122.180 122.180 123.160 -0.980 17950 6238 1 18 . 1 1 35 35 THR HA H 35 4.223 4.223 3.998 0.225 17950 6239 1 18 . 1 1 35 35 THR C C 35 175.997 175.997 176.375 -0.378 17950 6240 1 18 . 1 1 35 35 THR CA C 35 64.686 64.686 66.296 -1.610 17950 6241 1 18 . 1 1 35 35 THR CB C 35 68.728 68.728 68.851 -0.123 17950 6242 1 18 . 1 1 35 35 THR H H 35 8.689 8.689 8.653 0.036 17950 6243 1 18 . 1 1 36 36 GLU N N 36 122.403 122.403 122.078 0.325 17950 6244 1 18 . 1 1 36 36 GLU HA H 36 3.698 3.698 4.150 -0.452 17950 6245 1 18 . 1 1 36 36 GLU C C 36 177.497 177.497 176.834 0.663 17950 6246 1 18 . 1 1 36 36 GLU CA C 36 59.317 59.317 58.874 0.443 17950 6247 1 18 . 1 1 36 36 GLU CB C 36 29.107 29.107 29.835 -0.728 17950 6248 1 18 . 1 1 36 36 GLU H H 36 8.818 8.818 8.235 0.583 17950 6249 1 18 . 1 1 37 37 PHE N N 37 114.348 114.348 116.062 -1.714 17950 6250 1 18 . 1 1 37 37 PHE HA H 37 4.857 4.857 4.736 0.121 17950 6251 1 18 . 1 1 37 37 PHE C C 37 177.191 177.191 173.688 3.503 17950 6252 1 18 . 1 1 37 37 PHE CA C 37 56.463 56.463 56.258 0.206 17950 6253 1 18 . 1 1 37 37 PHE CB C 37 41.086 41.086 39.581 1.505 17950 6254 1 18 . 1 1 37 37 PHE H H 37 7.477 7.477 7.917 -0.440 17950 6255 1 18 . 1 1 38 38 SER N N 38 114.722 114.722 117.227 -2.505 17950 6256 1 18 . 1 1 38 38 SER HA H 38 3.822 3.822 4.440 -0.618 17950 6257 1 18 . 1 1 38 38 SER C C 38 176.516 176.516 176.059 0.457 17950 6258 1 18 . 1 1 38 38 SER CA C 38 61.996 61.996 58.944 3.052 17950 6259 1 18 . 1 1 38 38 SER CB C 38 62.761 62.761 63.950 -1.189 17950 6260 1 18 . 1 1 38 38 SER H H 38 8.546 8.546 7.632 0.914 17950 6261 1 18 . 1 1 39 39 LEU N N 39 121.277 121.277 122.516 -1.239 17950 6262 1 18 . 1 1 39 39 LEU HA H 39 4.213 4.213 4.081 0.132 17950 6263 1 18 . 1 1 39 39 LEU C C 39 179.777 179.777 179.285 0.492 17950 6264 1 18 . 1 1 39 39 LEU CA C 39 57.171 57.171 57.943 -0.772 17950 6265 1 18 . 1 1 39 39 LEU CB C 39 41.340 41.340 42.114 -0.774 17950 6266 1 18 . 1 1 39 39 LEU H H 39 8.115 8.115 7.682 0.433 17950 6267 1 18 . 1 1 40 40 ILE N N 40 120.137 120.137 116.927 3.210 17950 6268 1 18 . 1 1 40 40 ILE HA H 40 3.701 3.701 3.998 -0.297 17950 6269 1 18 . 1 1 40 40 ILE C C 40 178.413 178.413 176.671 1.742 17950 6270 1 18 . 1 1 40 40 ILE CA C 40 63.624 63.624 63.934 -0.309 17950 6271 1 18 . 1 1 40 40 ILE CB C 40 38.778 38.778 38.024 0.754 17950 6272 1 18 . 1 1 40 40 ILE H H 40 7.525 7.525 8.046 -0.521 17950 6273 1 18 . 1 1 41 41 LEU N N 41 117.023 117.023 115.572 1.451 17950 6274 1 18 . 1 1 41 41 LEU HA H 41 4.406 4.406 4.638 -0.232 17950 6275 1 18 . 1 1 41 41 LEU C C 41 176.196 176.196 177.060 -0.864 17950 6276 1 18 . 1 1 41 41 LEU CA C 41 54.256 54.256 53.497 0.759 17950 6277 1 18 . 1 1 41 41 LEU CB C 41 41.891 41.891 41.144 0.747 17950 6278 1 18 . 1 1 41 41 LEU H H 41 7.608 7.608 7.361 0.247 17950 6279 1 18 . 1 1 42 42 LYS N N 42 116.369 116.369 119.632 -3.263 17950 6280 1 18 . 1 1 42 42 LYS HA H 42 4.050 4.050 4.071 -0.021 17950 6281 1 18 . 1 1 42 42 LYS C C 42 177.139 177.139 177.388 -0.249 17950 6282 1 18 . 1 1 42 42 LYS CA C 42 59.111 59.111 58.502 0.609 17950 6283 1 18 . 1 1 42 42 LYS CB C 42 32.553 32.553 32.015 0.538 17950 6284 1 18 . 1 1 42 42 LYS H H 42 6.645 6.645 7.297 -0.652 17950 6285 1 18 . 1 1 43 43 SER N N 43 115.061 115.061 112.857 2.204 17950 6286 1 18 . 1 1 43 43 SER HA H 43 4.407 4.407 4.308 0.099 17950 6287 1 18 . 1 1 43 43 SER C C 43 173.754 173.754 174.476 -0.722 17950 6288 1 18 . 1 1 43 43 SER CA C 43 58.850 58.850 59.234 -0.384 17950 6289 1 18 . 1 1 43 43 SER CB C 43 63.117 63.117 63.624 -0.507 17950 6290 1 18 . 1 1 43 43 SER H H 43 8.443 8.443 8.384 0.059 17950 6291 1 18 . 1 1 44 44 ARG N N 44 119.658 119.658 120.264 -0.606 17950 6292 1 18 . 1 1 44 44 ARG HA H 44 4.674 4.674 4.506 0.168 17950 6293 1 18 . 1 1 44 44 ARG C C 44 174.410 174.410 174.460 -0.050 17950 6294 1 18 . 1 1 44 44 ARG CA C 44 52.244 52.244 54.395 -2.151 17950 6295 1 18 . 1 1 44 44 ARG CB C 44 31.309 31.309 31.792 -0.483 17950 6296 1 18 . 1 1 44 44 ARG H H 44 8.036 8.036 7.176 0.860 17950 6297 1 18 . 1 1 45 45 SER N N 45 116.676 116.676 113.333 3.343 17950 6298 1 18 . 1 1 45 45 SER HA H 45 4.764 4.764 4.658 0.106 17950 6299 1 18 . 1 1 45 45 SER C C 45 175.294 175.294 174.993 0.301 17950 6300 1 18 . 1 1 45 45 SER CA C 45 55.857 55.857 56.901 -1.044 17950 6301 1 18 . 1 1 45 45 SER CB C 45 66.828 66.828 65.636 1.192 17950 6302 1 18 . 1 1 45 45 SER H H 45 9.180 9.180 8.111 1.069 17950 6303 1 18 . 1 1 46 46 ASN N N 46 118.004 118.004 119.846 -1.842 17950 6304 1 18 . 1 1 46 46 ASN HA H 46 3.954 3.954 4.341 -0.387 17950 6305 1 18 . 1 1 46 46 ASN C C 46 176.356 176.356 177.053 -0.697 17950 6306 1 18 . 1 1 46 46 ASN CA C 46 57.734 57.734 55.997 1.737 17950 6307 1 18 . 1 1 46 46 ASN CB C 46 36.901 36.901 37.779 -0.878 17950 6308 1 18 . 1 1 46 46 ASN H H 46 9.005 9.005 8.693 0.312 17950 6309 1 18 . 1 1 47 47 VAL N N 47 119.294 119.294 118.076 1.218 17950 6310 1 18 . 1 1 47 47 VAL HA H 47 3.422 3.422 3.548 -0.126 17950 6311 1 18 . 1 1 47 47 VAL C C 47 176.899 176.899 177.195 -0.296 17950 6312 1 18 . 1 1 47 47 VAL CA C 47 65.439 65.439 65.535 -0.096 17950 6313 1 18 . 1 1 47 47 VAL CB C 47 31.863 31.863 31.610 0.253 17950 6314 1 18 . 1 1 47 47 VAL H H 47 7.329 7.329 7.912 -0.583 17950 6315 1 18 . 1 1 48 48 ASP N N 48 120.297 120.297 119.837 0.460 17950 6316 1 18 . 1 1 48 48 ASP HA H 48 4.358 4.358 4.416 -0.058 17950 6317 1 18 . 1 1 48 48 ASP C C 48 179.879 179.879 178.446 1.433 17950 6318 1 18 . 1 1 48 48 ASP CA C 48 57.162 57.162 57.270 -0.108 17950 6319 1 18 . 1 1 48 48 ASP CB C 48 41.040 41.040 40.855 0.185 17950 6320 1 18 . 1 1 48 48 ASP H H 48 7.597 7.597 7.723 -0.126 17950 6321 1 18 . 1 1 49 49 LEU N N 49 119.624 119.624 120.036 -0.412 17950 6322 1 18 . 1 1 49 49 LEU HA H 49 3.824 3.824 3.873 -0.049 17950 6323 1 18 . 1 1 49 49 LEU C C 49 176.207 176.207 178.445 -2.238 17950 6324 1 18 . 1 1 49 49 LEU CA C 49 59.202 59.202 58.348 0.854 17950 6325 1 18 . 1 1 49 49 LEU CB C 49 41.113 41.113 41.317 -0.204 17950 6326 1 18 . 1 1 49 49 LEU H H 49 7.835 7.835 7.496 0.339 17950 6327 1 18 . 1 1 50 50 LYS N N 50 119.306 119.306 116.606 2.700 17950 6328 1 18 . 1 1 50 50 LYS HA H 50 2.427 2.427 3.284 -0.857 17950 6329 1 18 . 1 1 50 50 LYS C C 50 178.745 178.745 178.466 0.279 17950 6330 1 18 . 1 1 50 50 LYS CA C 50 59.310 59.310 58.664 0.646 17950 6331 1 18 . 1 1 50 50 LYS CB C 50 31.906 31.906 30.837 1.069 17950 6332 1 18 . 1 1 50 50 LYS H H 50 6.788 6.788 7.090 -0.302 17950 6333 1 18 . 1 1 51 51 ASP N N 51 118.721 118.721 120.690 -1.969 17950 6334 1 18 . 1 1 51 51 ASP HA H 51 4.167 4.167 4.403 -0.236 17950 6335 1 18 . 1 1 51 51 ASP C C 51 178.461 178.461 178.376 0.085 17950 6336 1 18 . 1 1 51 51 ASP CA C 51 56.852 56.852 57.151 -0.299 17950 6337 1 18 . 1 1 51 51 ASP CB C 51 40.475 40.475 40.837 -0.362 17950 6338 1 18 . 1 1 51 51 ASP H H 51 8.203 8.203 7.636 0.567 17950 6339 1 18 . 1 1 52 52 LYS N N 52 121.009 121.009 119.207 1.802 17950 6340 1 18 . 1 1 52 52 LYS HA H 52 3.776 3.776 3.900 -0.124 17950 6341 1 18 . 1 1 52 52 LYS C C 52 178.328 178.328 178.952 -0.624 17950 6342 1 18 . 1 1 52 52 LYS CA C 52 56.841 56.841 59.342 -2.501 17950 6343 1 18 . 1 1 52 52 LYS CB C 52 31.473 31.473 32.128 -0.655 17950 6344 1 18 . 1 1 52 52 LYS H H 52 7.842 7.842 8.151 -0.309 17950 6345 1 18 . 1 1 53 53 TRP N N 53 119.577 119.577 120.544 -0.967 17950 6346 1 18 . 1 1 53 53 TRP HA H 53 4.121 4.121 4.298 -0.177 17950 6347 1 18 . 1 1 53 53 TRP C C 53 178.056 178.056 178.213 -0.157 17950 6348 1 18 . 1 1 53 53 TRP CA C 53 59.505 59.505 60.907 -1.402 17950 6349 1 18 . 1 1 53 53 TRP CB C 53 30.004 30.004 29.652 0.352 17950 6350 1 18 . 1 1 53 53 TRP H H 53 8.469 8.469 7.818 0.651 17950 6351 1 18 . 1 1 54 54 ARG N N 54 117.607 117.607 119.581 -1.974 17950 6352 1 18 . 1 1 54 54 ARG HA H 54 3.721 3.721 3.762 -0.041 17950 6353 1 18 . 1 1 54 54 ARG C C 54 177.399 177.399 178.393 -0.994 17950 6354 1 18 . 1 1 54 54 ARG CA C 54 59.030 59.030 59.250 -0.220 17950 6355 1 18 . 1 1 54 54 ARG CB C 54 29.401 29.401 29.909 -0.508 17950 6356 1 18 . 1 1 54 54 ARG H H 54 7.527 7.527 8.115 -0.588 17950 6357 1 18 . 1 1 55 55 ASN N N 55 115.552 115.552 117.451 -1.899 17950 6358 1 18 . 1 1 55 55 ASN HA H 55 4.387 4.387 4.589 -0.202 17950 6359 1 18 . 1 1 55 55 ASN C C 55 176.869 176.869 177.310 -0.441 17950 6360 1 18 . 1 1 55 55 ASN CA C 55 55.320 55.320 55.822 -0.502 17950 6361 1 18 . 1 1 55 55 ASN CB C 55 39.679 39.679 38.792 0.887 17950 6362 1 18 . 1 1 55 55 ASN H H 55 7.242 7.242 8.024 -0.782 17950 6363 1 18 . 1 1 56 56 ILE N N 56 117.285 117.285 117.441 -0.156 17950 6364 1 18 . 1 1 56 56 ILE HA H 56 3.768 3.768 3.963 -0.195 17950 6365 1 18 . 1 1 56 56 ILE C C 56 176.781 176.781 175.855 0.926 17950 6366 1 18 . 1 1 56 56 ILE CA C 56 62.932 62.932 63.086 -0.154 17950 6367 1 18 . 1 1 56 56 ILE CB C 56 38.341 38.341 38.300 0.041 17950 6368 1 18 . 1 1 56 56 ILE H H 56 7.760 7.760 7.504 0.256 17950 6369 1 18 . 1 1 57 57 SER N N 57 116.184 116.184 113.731 2.453 17950 6370 1 18 . 1 1 57 57 SER HA H 57 3.676 3.676 4.180 -0.504 17950 6371 1 18 . 1 1 57 57 SER C C 57 174.964 174.964 176.271 -1.307 17950 6372 1 18 . 1 1 57 57 SER CA C 57 59.435 59.435 60.145 -0.710 17950 6373 1 18 . 1 1 57 57 SER CB C 57 63.062 63.062 63.487 -0.425 17950 6374 1 18 . 1 1 57 57 SER H H 57 7.635 7.635 7.319 0.316 17950 6375 1 18 . 1 1 58 58 VAL N N 58 119.671 119.671 120.450 -0.779 17950 6376 1 18 . 1 1 58 58 VAL HA H 58 3.959 3.959 3.806 0.153 17950 6377 1 18 . 1 1 58 58 VAL C C 58 176.787 176.787 175.991 0.796 17950 6378 1 18 . 1 1 58 58 VAL CA C 58 63.249 63.249 64.923 -1.674 17950 6379 1 18 . 1 1 58 58 VAL CB C 58 31.964 31.964 32.266 -0.302 17950 6380 1 18 . 1 1 58 58 VAL H H 58 7.454 7.454 7.564 -0.110 17950 6381 1 18 . 1 1 59 59 THR N N 59 114.912 114.912 113.066 1.846 17950 6382 1 18 . 1 1 59 59 THR HA H 59 3.924 3.924 4.486 -0.562 17950 6383 1 18 . 1 1 59 59 THR C C 59 174.839 174.839 173.293 1.546 17950 6384 1 18 . 1 1 59 59 THR CA C 59 62.616 62.616 60.871 1.745 17950 6385 1 18 . 1 1 59 59 THR CB C 59 69.358 69.358 68.567 0.792 17950 6386 1 18 . 1 1 59 59 THR H H 59 7.681 7.681 7.702 -0.021 17950 6387 1 18 . 1 1 60 60 ALA N N 60 124.969 124.969 127.882 -2.913 17950 6388 1 18 . 1 1 60 60 ALA HA H 60 4.094 4.094 4.684 -0.590 17950 6389 1 18 . 1 1 60 60 ALA C C 60 177.636 177.636 177.648 -0.012 17950 6390 1 18 . 1 1 60 60 ALA CA C 60 52.909 52.909 52.939 -0.030 17950 6391 1 18 . 1 1 60 60 ALA CB C 60 18.757 18.757 20.382 -1.625 17950 6392 1 18 . 1 1 60 60 ALA H H 60 7.939 7.939 8.010 -0.071 17950 6393 1 18 . 1 1 61 61 LEU N N 61 119.572 119.572 115.329 4.243 17950 6394 1 18 . 1 1 61 61 LEU HA H 61 4.150 4.150 4.771 -0.621 17950 6395 1 18 . 1 1 61 61 LEU C C 61 177.260 177.260 176.505 0.755 17950 6396 1 18 . 1 1 61 61 LEU CA C 61 55.183 55.183 53.404 1.779 17950 6397 1 18 . 1 1 61 61 LEU CB C 61 41.901 41.901 42.023 -0.122 17950 6398 1 18 . 1 1 61 61 LEU H H 61 7.812 7.812 8.037 -0.225 17950 6399 1 18 . 1 1 62 62 TRP N N 62 120.635 120.635 121.502 -0.867 17950 6400 1 18 . 1 1 62 62 TRP HA H 62 4.617 4.617 4.535 0.082 17950 6401 1 18 . 1 1 62 62 TRP C C 62 176.752 176.752 177.043 -0.291 17950 6402 1 18 . 1 1 62 62 TRP CA C 62 57.262 57.262 56.960 0.302 17950 6403 1 18 . 1 1 62 62 TRP CB C 62 29.579 29.579 29.343 0.236 17950 6404 1 18 . 1 1 62 62 TRP H H 62 7.851 7.851 7.723 0.128 17950 6405 1 18 . 1 1 63 63 GLY N N 63 110.695 110.695 112.361 -1.666 17950 6406 1 18 . 1 1 63 63 GLY C C 63 173.238 173.238 174.573 -1.335 17950 6407 1 18 . 1 1 63 63 GLY CA C 63 45.357 45.357 45.107 0.250 17950 6408 1 18 . 1 1 63 63 GLY H H 63 8.132 8.132 8.614 -0.482 17950 6409 1 19 . 1 1 2 2 GLY N N 2 110.542 110.542 111.694 -1.152 17950 6410 1 19 . 1 1 2 2 GLY C C 2 173.237 173.237 172.155 1.082 17950 6411 1 19 . 1 1 2 2 GLY CA C 2 44.918 44.918 44.966 -0.048 17950 6412 1 19 . 1 1 2 2 GLY H H 2 8.335 8.335 8.511 -0.176 17950 6413 1 19 . 1 1 3 3 ALA N N 3 124.917 124.917 122.031 2.886 17950 6414 1 19 . 1 1 3 3 ALA HA H 3 4.513 4.513 4.769 -0.256 17950 6415 1 19 . 1 1 3 3 ALA CA C 3 50.370 50.370 51.066 -0.696 17950 6416 1 19 . 1 1 3 3 ALA CB C 3 18.052 18.052 20.227 -2.175 17950 6417 1 19 . 1 1 3 3 ALA H H 3 8.069 8.069 8.327 -0.258 17950 6418 1 19 . 1 1 4 4 PRO HA H 4 4.341 4.341 4.407 -0.066 17950 6419 1 19 . 1 1 4 4 PRO C C 4 177.068 177.068 176.486 0.582 17950 6420 1 19 . 1 1 4 4 PRO CA C 4 63.007 63.007 63.658 -0.651 17950 6421 1 19 . 1 1 4 4 PRO CB C 4 32.015 32.015 31.942 0.073 17950 6422 1 19 . 1 1 5 5 LYS N N 5 121.494 121.494 120.006 1.488 17950 6423 1 19 . 1 1 5 5 LYS HA H 5 4.180 4.180 4.342 -0.162 17950 6424 1 19 . 1 1 5 5 LYS C C 5 176.697 176.697 176.113 0.584 17950 6425 1 19 . 1 1 5 5 LYS CA C 5 56.140 56.140 55.677 0.463 17950 6426 1 19 . 1 1 5 5 LYS CB C 5 32.871 32.871 33.147 -0.276 17950 6427 1 19 . 1 1 5 5 LYS H H 5 8.376 8.376 7.931 0.445 17950 6428 1 19 . 1 1 6 6 GLN N N 6 121.572 121.572 120.795 0.777 17950 6429 1 19 . 1 1 6 6 GLN HA H 6 4.230 4.230 4.339 -0.109 17950 6430 1 19 . 1 1 6 6 GLN C C 6 176.847 176.847 175.257 1.590 17950 6431 1 19 . 1 1 6 6 GLN CA C 6 55.634 55.634 55.511 0.123 17950 6432 1 19 . 1 1 6 6 GLN CB C 6 29.290 29.290 29.672 -0.383 17950 6433 1 19 . 1 1 6 6 GLN H H 6 8.438 8.438 8.503 -0.065 17950 6434 1 19 . 1 1 7 7 LYS N N 7 125.757 125.757 123.185 2.572 17950 6435 1 19 . 1 1 7 7 LYS HA H 7 4.259 4.259 4.107 0.152 17950 6436 1 19 . 1 1 7 7 LYS C C 7 176.770 176.770 175.072 1.698 17950 6437 1 19 . 1 1 7 7 LYS CA C 7 56.899 56.899 55.368 1.531 17950 6438 1 19 . 1 1 7 7 LYS CB C 7 32.782 32.782 32.488 0.294 17950 6439 1 19 . 1 1 7 7 LYS H H 7 8.500 8.500 8.389 0.111 17950 6440 1 19 . 1 1 8 8 TRP N N 8 125.581 125.581 120.465 5.116 17950 6441 1 19 . 1 1 8 8 TRP HA H 8 4.504 4.504 4.610 -0.106 17950 6442 1 19 . 1 1 8 8 TRP C C 8 177.459 177.459 175.943 1.516 17950 6443 1 19 . 1 1 8 8 TRP CA C 8 57.777 57.777 57.302 0.475 17950 6444 1 19 . 1 1 8 8 TRP CB C 8 28.836 28.836 29.730 -0.894 17950 6445 1 19 . 1 1 8 8 TRP H H 8 8.959 8.959 7.799 1.160 17950 6446 1 19 . 1 1 9 9 THR N N 9 115.986 115.986 111.390 4.596 17950 6447 1 19 . 1 1 9 9 THR HA H 9 4.759 4.759 4.797 -0.038 17950 6448 1 19 . 1 1 9 9 THR CA C 9 59.565 59.565 59.499 0.066 17950 6449 1 19 . 1 1 9 9 THR CB C 9 68.786 68.786 70.157 -1.371 17950 6450 1 19 . 1 1 9 9 THR H H 9 9.105 9.105 8.226 0.879 17950 6451 1 19 . 1 1 10 10 PRO HA H 10 4.369 4.369 4.465 -0.096 17950 6452 1 19 . 1 1 10 10 PRO C C 10 180.115 180.115 178.807 1.308 17950 6453 1 19 . 1 1 10 10 PRO CA C 10 65.387 65.387 65.029 0.358 17950 6454 1 19 . 1 1 10 10 PRO CB C 10 31.739 31.739 32.047 -0.308 17950 6455 1 19 . 1 1 11 11 GLU N N 11 118.329 118.329 118.991 -0.662 17950 6456 1 19 . 1 1 11 11 GLU HA H 11 4.065 4.065 3.968 0.097 17950 6457 1 19 . 1 1 11 11 GLU C C 11 180.122 180.122 178.760 1.362 17950 6458 1 19 . 1 1 11 11 GLU CA C 11 60.640 60.640 60.347 0.293 17950 6459 1 19 . 1 1 11 11 GLU CB C 11 28.680 28.680 29.395 -0.715 17950 6460 1 19 . 1 1 11 11 GLU H H 11 9.009 9.009 8.999 0.010 17950 6461 1 19 . 1 1 12 12 GLU N N 12 121.178 121.178 117.645 3.533 17950 6462 1 19 . 1 1 12 12 GLU HA H 12 3.857 3.857 4.133 -0.276 17950 6463 1 19 . 1 1 12 12 GLU C C 12 179.021 179.021 179.168 -0.147 17950 6464 1 19 . 1 1 12 12 GLU CA C 12 59.900 59.900 59.176 0.724 17950 6465 1 19 . 1 1 12 12 GLU CB C 12 32.276 32.276 29.331 2.945 17950 6466 1 19 . 1 1 12 12 GLU H H 12 7.952 7.952 8.238 -0.286 17950 6467 1 19 . 1 1 13 13 GLU N N 13 118.771 118.771 120.318 -1.547 17950 6468 1 19 . 1 1 13 13 GLU HA H 13 3.928 3.928 4.022 -0.094 17950 6469 1 19 . 1 1 13 13 GLU C C 13 178.499 178.499 178.807 -0.308 17950 6470 1 19 . 1 1 13 13 GLU CA C 13 61.052 61.052 59.394 1.658 17950 6471 1 19 . 1 1 13 13 GLU CB C 13 29.552 29.552 29.488 0.064 17950 6472 1 19 . 1 1 13 13 GLU H H 13 8.446 8.446 7.483 0.963 17950 6473 1 19 . 1 1 14 14 ALA N N 14 120.274 120.274 121.385 -1.111 17950 6474 1 19 . 1 1 14 14 ALA HA H 14 4.095 4.095 3.995 0.100 17950 6475 1 19 . 1 1 14 14 ALA C C 14 180.719 180.719 179.470 1.249 17950 6476 1 19 . 1 1 14 14 ALA CA C 14 55.053 55.053 55.067 -0.014 17950 6477 1 19 . 1 1 14 14 ALA CB C 14 18.019 18.019 18.117 -0.098 17950 6478 1 19 . 1 1 14 14 ALA H H 14 8.434 8.434 7.745 0.689 17950 6479 1 19 . 1 1 15 15 ALA N N 15 122.356 122.356 120.446 1.910 17950 6480 1 19 . 1 1 15 15 ALA HA H 15 4.381 4.381 3.592 0.789 17950 6481 1 19 . 1 1 15 15 ALA C C 15 178.553 178.553 178.800 -0.247 17950 6482 1 19 . 1 1 15 15 ALA CA C 15 54.786 54.786 54.374 0.412 17950 6483 1 19 . 1 1 15 15 ALA CB C 15 18.779 18.779 17.757 1.022 17950 6484 1 19 . 1 1 15 15 ALA H H 15 7.900 7.900 7.956 -0.056 17950 6485 1 19 . 1 1 16 16 LEU N N 16 118.626 118.626 119.833 -1.207 17950 6486 1 19 . 1 1 16 16 LEU HA H 16 3.921 3.921 3.906 0.015 17950 6487 1 19 . 1 1 16 16 LEU C C 16 177.536 177.536 178.195 -0.659 17950 6488 1 19 . 1 1 16 16 LEU CA C 16 58.384 58.384 58.282 0.102 17950 6489 1 19 . 1 1 16 16 LEU CB C 16 42.189 42.189 42.135 0.054 17950 6490 1 19 . 1 1 16 16 LEU H H 16 8.182 8.182 7.717 0.465 17950 6491 1 19 . 1 1 17 17 LYS N N 17 117.009 117.009 119.178 -2.169 17950 6492 1 19 . 1 1 17 17 LYS HA H 17 3.906 3.906 3.789 0.117 17950 6493 1 19 . 1 1 17 17 LYS C C 17 178.796 178.796 178.847 -0.051 17950 6494 1 19 . 1 1 17 17 LYS CA C 17 60.496 60.496 59.571 0.925 17950 6495 1 19 . 1 1 17 17 LYS CB C 17 32.720 32.720 31.768 0.952 17950 6496 1 19 . 1 1 17 17 LYS H H 17 8.029 8.029 7.917 0.112 17950 6497 1 19 . 1 1 18 18 ALA N N 18 121.422 121.422 120.506 0.916 17950 6498 1 19 . 1 1 18 18 ALA HA H 18 4.021 4.021 4.034 -0.013 17950 6499 1 19 . 1 1 18 18 ALA C C 18 180.627 180.627 179.772 0.855 17950 6500 1 19 . 1 1 18 18 ALA CA C 18 54.752 54.752 55.074 -0.322 17950 6501 1 19 . 1 1 18 18 ALA CB C 18 18.405 18.405 18.021 0.384 17950 6502 1 19 . 1 1 18 18 ALA H H 18 8.174 8.174 8.211 -0.037 17950 6503 1 19 . 1 1 19 19 GLY N N 19 110.862 110.862 106.734 4.128 17950 6504 1 19 . 1 1 19 19 GLY C C 19 174.803 174.803 176.155 -1.352 17950 6505 1 19 . 1 1 19 19 GLY CA C 19 47.190 47.190 46.860 0.330 17950 6506 1 19 . 1 1 19 19 GLY H H 19 8.503 8.503 7.546 0.957 17950 6507 1 19 . 1 1 20 20 VAL N N 20 123.677 123.677 122.859 0.818 17950 6508 1 19 . 1 1 20 20 VAL HA H 20 3.166 3.166 3.670 -0.504 17950 6509 1 19 . 1 1 20 20 VAL C C 20 179.632 179.632 177.490 2.142 17950 6510 1 19 . 1 1 20 20 VAL CA C 20 65.603 65.603 65.682 -0.079 17950 6511 1 19 . 1 1 20 20 VAL CB C 20 30.946 30.946 31.651 -0.706 17950 6512 1 19 . 1 1 20 20 VAL H H 20 8.106 8.106 7.753 0.353 17950 6513 1 19 . 1 1 21 21 LEU N N 21 122.348 122.348 118.330 4.018 17950 6514 1 19 . 1 1 21 21 LEU HA H 21 3.894 3.894 3.989 -0.095 17950 6515 1 19 . 1 1 21 21 LEU C C 21 178.085 178.085 178.442 -0.357 17950 6516 1 19 . 1 1 21 21 LEU CA C 21 58.028 58.028 57.278 0.750 17950 6517 1 19 . 1 1 21 21 LEU CB C 21 41.401 41.401 42.015 -0.614 17950 6518 1 19 . 1 1 21 21 LEU H H 21 7.817 7.817 7.805 0.012 17950 6519 1 19 . 1 1 22 22 LYS N N 22 117.663 117.663 118.348 -0.685 17950 6520 1 19 . 1 1 22 22 LYS HA H 22 3.837 3.837 3.931 -0.094 17950 6521 1 19 . 1 1 22 22 LYS C C 22 177.740 177.740 178.273 -0.533 17950 6522 1 19 . 1 1 22 22 LYS CA C 22 59.206 59.206 58.609 0.597 17950 6523 1 19 . 1 1 22 22 LYS CB C 22 35.176 35.176 32.304 2.872 17950 6524 1 19 . 1 1 22 22 LYS H H 22 7.520 7.520 7.955 -0.435 17950 6525 1 19 . 1 1 23 23 HIS N N 23 113.904 113.904 114.295 -0.391 17950 6526 1 19 . 1 1 23 23 HIS HA H 23 4.625 4.625 4.598 0.027 17950 6527 1 19 . 1 1 23 23 HIS C C 23 176.122 176.122 175.403 0.719 17950 6528 1 19 . 1 1 23 23 HIS CA C 23 57.211 57.211 56.942 0.269 17950 6529 1 19 . 1 1 23 23 HIS CB C 23 33.414 33.414 31.864 1.550 17950 6530 1 19 . 1 1 23 23 HIS H H 23 8.311 8.311 7.733 0.578 17950 6531 1 19 . 1 1 24 24 GLY N N 24 110.098 110.098 105.699 4.399 17950 6532 1 19 . 1 1 24 24 GLY C C 24 173.041 173.041 172.399 0.642 17950 6533 1 19 . 1 1 24 24 GLY CA C 24 43.563 43.563 44.726 -1.163 17950 6534 1 19 . 1 1 24 24 GLY H H 24 8.158 8.158 7.624 0.534 17950 6535 1 19 . 1 1 25 25 THR N N 25 108.590 108.590 111.740 -3.150 17950 6536 1 19 . 1 1 25 25 THR HA H 25 3.123 3.123 4.080 -0.957 17950 6537 1 19 . 1 1 25 25 THR C C 25 174.866 174.866 175.521 -0.655 17950 6538 1 19 . 1 1 25 25 THR CA C 25 61.992 61.992 62.164 -0.172 17950 6539 1 19 . 1 1 25 25 THR CB C 25 69.110 69.110 69.438 -0.328 17950 6540 1 19 . 1 1 25 25 THR H H 25 7.826 7.826 8.257 -0.431 17950 6541 1 19 . 1 1 26 26 GLY N N 26 106.794 106.794 113.533 -6.739 17950 6542 1 19 . 1 1 26 26 GLY C C 26 173.988 173.988 174.945 -0.957 17950 6543 1 19 . 1 1 26 26 GLY CA C 26 45.639 45.639 45.201 0.438 17950 6544 1 19 . 1 1 26 26 GLY H H 26 5.553 5.553 8.553 -3.000 17950 6545 1 19 . 1 1 27 27 LYS N N 27 122.617 122.617 123.014 -0.397 17950 6546 1 19 . 1 1 27 27 LYS HA H 27 4.499 4.499 4.268 0.231 17950 6547 1 19 . 1 1 27 27 LYS C C 27 176.586 176.586 176.544 0.042 17950 6548 1 19 . 1 1 27 27 LYS CA C 27 53.590 53.590 54.568 -0.978 17950 6549 1 19 . 1 1 27 27 LYS CB C 27 30.298 30.298 29.820 0.478 17950 6550 1 19 . 1 1 27 27 LYS H H 27 7.025 7.025 8.003 -0.978 17950 6551 1 19 . 1 1 28 28 TRP N N 28 119.816 119.816 120.820 -1.004 17950 6552 1 19 . 1 1 28 28 TRP HA H 28 4.130 4.130 4.259 -0.129 17950 6553 1 19 . 1 1 28 28 TRP C C 28 178.012 178.012 177.362 0.650 17950 6554 1 19 . 1 1 28 28 TRP CA C 28 58.414 58.414 60.269 -1.855 17950 6555 1 19 . 1 1 28 28 TRP CB C 28 30.008 30.008 28.320 1.688 17950 6556 1 19 . 1 1 28 28 TRP H H 28 6.384 6.384 7.948 -1.564 17950 6557 1 19 . 1 1 29 29 ARG N N 29 115.616 115.616 120.187 -4.571 17950 6558 1 19 . 1 1 29 29 ARG HA H 29 3.963 3.963 3.987 -0.024 17950 6559 1 19 . 1 1 29 29 ARG C C 29 178.821 178.821 177.836 0.985 17950 6560 1 19 . 1 1 29 29 ARG CA C 29 59.381 59.381 59.160 0.221 17950 6561 1 19 . 1 1 29 29 ARG CB C 29 29.366 29.366 29.249 0.117 17950 6562 1 19 . 1 1 29 29 ARG H H 29 8.465 8.465 7.347 1.118 17950 6563 1 19 . 1 1 30 30 THR N N 30 118.439 118.439 116.017 2.422 17950 6564 1 19 . 1 1 30 30 THR HA H 30 3.594 3.594 3.783 -0.189 17950 6565 1 19 . 1 1 30 30 THR C C 30 176.351 176.351 176.786 -0.435 17950 6566 1 19 . 1 1 30 30 THR CA C 30 66.347 66.347 66.400 -0.053 17950 6567 1 19 . 1 1 30 30 THR CB C 30 68.157 68.157 68.318 -0.161 17950 6568 1 19 . 1 1 30 30 THR H H 30 7.451 7.451 7.569 -0.118 17950 6569 1 19 . 1 1 31 31 ILE N N 31 121.530 121.530 120.708 0.822 17950 6570 1 19 . 1 1 31 31 ILE HA H 31 3.403 3.403 3.675 -0.272 17950 6571 1 19 . 1 1 31 31 ILE C C 31 176.326 176.326 178.157 -1.831 17950 6572 1 19 . 1 1 31 31 ILE CA C 31 66.885 66.885 65.132 1.753 17950 6573 1 19 . 1 1 31 31 ILE CB C 31 38.320 38.320 37.830 0.490 17950 6574 1 19 . 1 1 31 31 ILE H H 31 7.551 7.551 8.203 -0.652 17950 6575 1 19 . 1 1 32 32 LEU N N 32 113.721 113.721 117.504 -3.783 17950 6576 1 19 . 1 1 32 32 LEU HA H 32 3.871 3.871 4.006 -0.135 17950 6577 1 19 . 1 1 32 32 LEU C C 32 177.633 177.633 177.298 0.335 17950 6578 1 19 . 1 1 32 32 LEU CA C 32 56.846 56.846 56.767 0.079 17950 6579 1 19 . 1 1 32 32 LEU CB C 32 42.246 42.246 41.788 0.458 17950 6580 1 19 . 1 1 32 32 LEU H H 32 7.317 7.317 7.637 -0.320 17950 6581 1 19 . 1 1 33 33 SER N N 33 110.515 110.515 110.256 0.259 17950 6582 1 19 . 1 1 33 33 SER HA H 33 4.442 4.442 4.344 0.098 17950 6583 1 19 . 1 1 33 33 SER C C 33 173.479 173.479 173.765 -0.286 17950 6584 1 19 . 1 1 33 33 SER CA C 33 58.210 58.210 58.213 -0.003 17950 6585 1 19 . 1 1 33 33 SER CB C 33 64.194 64.194 63.713 0.481 17950 6586 1 19 . 1 1 33 33 SER H H 33 7.389 7.389 7.455 -0.066 17950 6587 1 19 . 1 1 34 34 ASP N N 34 125.920 125.920 121.748 4.172 17950 6588 1 19 . 1 1 34 34 ASP HA H 34 4.617 4.617 4.719 -0.102 17950 6589 1 19 . 1 1 34 34 ASP C C 34 178.020 178.020 177.124 0.896 17950 6590 1 19 . 1 1 34 34 ASP CA C 34 53.652 53.652 53.714 -0.062 17950 6591 1 19 . 1 1 34 34 ASP CB C 34 42.056 42.056 41.782 0.274 17950 6592 1 19 . 1 1 34 34 ASP H H 34 7.426 7.426 7.501 -0.075 17950 6593 1 19 . 1 1 35 35 THR N N 35 122.180 122.180 122.777 -0.597 17950 6594 1 19 . 1 1 35 35 THR HA H 35 4.223 4.223 4.095 0.128 17950 6595 1 19 . 1 1 35 35 THR C C 35 175.997 175.997 176.115 -0.118 17950 6596 1 19 . 1 1 35 35 THR CA C 35 64.686 64.686 65.901 -1.215 17950 6597 1 19 . 1 1 35 35 THR CB C 35 68.728 68.728 68.836 -0.108 17950 6598 1 19 . 1 1 35 35 THR H H 35 8.689 8.689 8.790 -0.101 17950 6599 1 19 . 1 1 36 36 GLU N N 36 122.403 122.403 122.123 0.280 17950 6600 1 19 . 1 1 36 36 GLU HA H 36 3.698 3.698 4.176 -0.478 17950 6601 1 19 . 1 1 36 36 GLU C C 36 177.497 177.497 176.819 0.678 17950 6602 1 19 . 1 1 36 36 GLU CA C 36 59.317 59.317 58.714 0.603 17950 6603 1 19 . 1 1 36 36 GLU CB C 36 29.107 29.107 29.815 -0.708 17950 6604 1 19 . 1 1 36 36 GLU H H 36 8.818 8.818 8.035 0.783 17950 6605 1 19 . 1 1 37 37 PHE N N 37 114.348 114.348 116.458 -2.110 17950 6606 1 19 . 1 1 37 37 PHE HA H 37 4.857 4.857 4.728 0.129 17950 6607 1 19 . 1 1 37 37 PHE C C 37 177.191 177.191 173.860 3.331 17950 6608 1 19 . 1 1 37 37 PHE CA C 37 56.463 56.463 56.234 0.229 17950 6609 1 19 . 1 1 37 37 PHE CB C 37 41.086 41.086 39.618 1.468 17950 6610 1 19 . 1 1 37 37 PHE H H 37 7.477 7.477 7.713 -0.236 17950 6611 1 19 . 1 1 38 38 SER N N 38 114.722 114.722 117.091 -2.369 17950 6612 1 19 . 1 1 38 38 SER HA H 38 3.822 3.822 4.425 -0.603 17950 6613 1 19 . 1 1 38 38 SER C C 38 176.516 176.516 175.862 0.654 17950 6614 1 19 . 1 1 38 38 SER CA C 38 61.996 61.996 59.124 2.872 17950 6615 1 19 . 1 1 38 38 SER CB C 38 62.761 62.761 64.004 -1.244 17950 6616 1 19 . 1 1 38 38 SER H H 38 8.546 8.546 7.635 0.911 17950 6617 1 19 . 1 1 39 39 LEU N N 39 121.277 121.277 122.264 -0.987 17950 6618 1 19 . 1 1 39 39 LEU HA H 39 4.213 4.213 4.106 0.107 17950 6619 1 19 . 1 1 39 39 LEU C C 39 179.777 179.777 178.940 0.837 17950 6620 1 19 . 1 1 39 39 LEU CA C 39 57.171 57.171 57.866 -0.695 17950 6621 1 19 . 1 1 39 39 LEU CB C 39 41.340 41.340 42.190 -0.850 17950 6622 1 19 . 1 1 39 39 LEU H H 39 8.115 8.115 7.713 0.402 17950 6623 1 19 . 1 1 40 40 ILE N N 40 120.137 120.137 115.866 4.271 17950 6624 1 19 . 1 1 40 40 ILE HA H 40 3.701 3.701 4.010 -0.309 17950 6625 1 19 . 1 1 40 40 ILE C C 40 178.413 178.413 176.416 1.997 17950 6626 1 19 . 1 1 40 40 ILE CA C 40 63.624 63.624 63.348 0.276 17950 6627 1 19 . 1 1 40 40 ILE CB C 40 38.778 38.778 38.157 0.621 17950 6628 1 19 . 1 1 40 40 ILE H H 40 7.525 7.525 8.050 -0.525 17950 6629 1 19 . 1 1 41 41 LEU N N 41 117.023 117.023 114.970 2.053 17950 6630 1 19 . 1 1 41 41 LEU HA H 41 4.406 4.406 4.616 -0.210 17950 6631 1 19 . 1 1 41 41 LEU C C 41 176.196 176.196 177.392 -1.196 17950 6632 1 19 . 1 1 41 41 LEU CA C 41 54.256 54.256 53.336 0.921 17950 6633 1 19 . 1 1 41 41 LEU CB C 41 41.891 41.891 41.033 0.858 17950 6634 1 19 . 1 1 41 41 LEU H H 41 7.608 7.608 7.216 0.392 17950 6635 1 19 . 1 1 42 42 LYS N N 42 116.369 116.369 120.374 -4.005 17950 6636 1 19 . 1 1 42 42 LYS HA H 42 4.050 4.050 4.069 -0.019 17950 6637 1 19 . 1 1 42 42 LYS C C 42 177.139 177.139 177.093 0.046 17950 6638 1 19 . 1 1 42 42 LYS CA C 42 59.111 59.111 58.693 0.418 17950 6639 1 19 . 1 1 42 42 LYS CB C 42 32.553 32.553 31.819 0.734 17950 6640 1 19 . 1 1 42 42 LYS H H 42 6.645 6.645 7.400 -0.755 17950 6641 1 19 . 1 1 43 43 SER N N 43 115.061 115.061 113.153 1.908 17950 6642 1 19 . 1 1 43 43 SER HA H 43 4.407 4.407 4.380 0.027 17950 6643 1 19 . 1 1 43 43 SER C C 43 173.754 173.754 174.516 -0.762 17950 6644 1 19 . 1 1 43 43 SER CA C 43 58.850 58.850 59.962 -1.112 17950 6645 1 19 . 1 1 43 43 SER CB C 43 63.117 63.117 63.560 -0.443 17950 6646 1 19 . 1 1 43 43 SER H H 43 8.443 8.443 8.309 0.134 17950 6647 1 19 . 1 1 44 44 ARG N N 44 119.658 119.658 120.090 -0.432 17950 6648 1 19 . 1 1 44 44 ARG HA H 44 4.674 4.674 4.520 0.154 17950 6649 1 19 . 1 1 44 44 ARG C C 44 174.410 174.410 174.226 0.184 17950 6650 1 19 . 1 1 44 44 ARG CA C 44 52.244 52.244 55.151 -2.907 17950 6651 1 19 . 1 1 44 44 ARG CB C 44 31.309 31.309 32.025 -0.716 17950 6652 1 19 . 1 1 44 44 ARG H H 44 8.036 8.036 7.434 0.602 17950 6653 1 19 . 1 1 45 45 SER N N 45 116.676 116.676 113.658 3.018 17950 6654 1 19 . 1 1 45 45 SER HA H 45 4.764 4.764 4.704 0.060 17950 6655 1 19 . 1 1 45 45 SER C C 45 175.294 175.294 175.518 -0.224 17950 6656 1 19 . 1 1 45 45 SER CA C 45 55.857 55.857 56.529 -0.672 17950 6657 1 19 . 1 1 45 45 SER CB C 45 66.828 66.828 65.633 1.195 17950 6658 1 19 . 1 1 45 45 SER H H 45 9.180 9.180 8.211 0.969 17950 6659 1 19 . 1 1 46 46 ASN N N 46 118.004 118.004 120.751 -2.747 17950 6660 1 19 . 1 1 46 46 ASN HA H 46 3.954 3.954 4.458 -0.504 17950 6661 1 19 . 1 1 46 46 ASN C C 46 176.356 176.356 176.596 -0.240 17950 6662 1 19 . 1 1 46 46 ASN CA C 46 57.734 57.734 56.186 1.548 17950 6663 1 19 . 1 1 46 46 ASN CB C 46 36.901 36.901 37.740 -0.839 17950 6664 1 19 . 1 1 46 46 ASN H H 46 9.005 9.005 8.817 0.188 17950 6665 1 19 . 1 1 47 47 VAL N N 47 119.294 119.294 119.497 -0.203 17950 6666 1 19 . 1 1 47 47 VAL HA H 47 3.422 3.422 3.601 -0.179 17950 6667 1 19 . 1 1 47 47 VAL C C 47 176.899 176.899 178.251 -1.352 17950 6668 1 19 . 1 1 47 47 VAL CA C 47 65.439 65.439 66.200 -0.761 17950 6669 1 19 . 1 1 47 47 VAL CB C 47 31.863 31.863 30.976 0.888 17950 6670 1 19 . 1 1 47 47 VAL H H 47 7.329 7.329 7.998 -0.669 17950 6671 1 19 . 1 1 48 48 ASP N N 48 120.297 120.297 119.201 1.096 17950 6672 1 19 . 1 1 48 48 ASP HA H 48 4.358 4.358 4.502 -0.144 17950 6673 1 19 . 1 1 48 48 ASP C C 48 179.879 179.879 178.581 1.298 17950 6674 1 19 . 1 1 48 48 ASP CA C 48 57.162 57.162 56.893 0.269 17950 6675 1 19 . 1 1 48 48 ASP CB C 48 41.040 41.040 40.840 0.200 17950 6676 1 19 . 1 1 48 48 ASP H H 48 7.597 7.597 7.885 -0.288 17950 6677 1 19 . 1 1 49 49 LEU N N 49 119.624 119.624 120.546 -0.922 17950 6678 1 19 . 1 1 49 49 LEU HA H 49 3.824 3.824 4.064 -0.240 17950 6679 1 19 . 1 1 49 49 LEU C C 49 176.207 176.207 178.865 -2.658 17950 6680 1 19 . 1 1 49 49 LEU CA C 49 59.202 59.202 58.350 0.852 17950 6681 1 19 . 1 1 49 49 LEU CB C 49 41.113 41.113 41.771 -0.658 17950 6682 1 19 . 1 1 49 49 LEU H H 49 7.835 7.835 7.531 0.304 17950 6683 1 19 . 1 1 50 50 LYS N N 50 119.306 119.306 117.710 1.596 17950 6684 1 19 . 1 1 50 50 LYS HA H 50 2.427 2.427 4.257 -1.830 17950 6685 1 19 . 1 1 50 50 LYS C C 50 178.745 178.745 178.937 -0.192 17950 6686 1 19 . 1 1 50 50 LYS CA C 50 59.310 59.310 59.191 0.119 17950 6687 1 19 . 1 1 50 50 LYS CB C 50 31.906 31.906 31.909 -0.003 17950 6688 1 19 . 1 1 50 50 LYS H H 50 6.788 6.788 7.878 -1.090 17950 6689 1 19 . 1 1 51 51 ASP N N 51 118.721 118.721 120.751 -2.030 17950 6690 1 19 . 1 1 51 51 ASP HA H 51 4.167 4.167 4.452 -0.285 17950 6691 1 19 . 1 1 51 51 ASP C C 51 178.461 178.461 178.158 0.303 17950 6692 1 19 . 1 1 51 51 ASP CA C 51 56.852 56.852 56.953 -0.101 17950 6693 1 19 . 1 1 51 51 ASP CB C 51 40.475 40.475 40.857 -0.382 17950 6694 1 19 . 1 1 51 51 ASP H H 51 8.203 8.203 7.773 0.430 17950 6695 1 19 . 1 1 52 52 LYS N N 52 121.009 121.009 119.703 1.306 17950 6696 1 19 . 1 1 52 52 LYS HA H 52 3.776 3.776 4.050 -0.274 17950 6697 1 19 . 1 1 52 52 LYS C C 52 178.328 178.328 178.907 -0.579 17950 6698 1 19 . 1 1 52 52 LYS CA C 52 56.841 56.841 59.166 -2.325 17950 6699 1 19 . 1 1 52 52 LYS CB C 52 31.473 31.473 32.093 -0.620 17950 6700 1 19 . 1 1 52 52 LYS H H 52 7.842 7.842 8.206 -0.364 17950 6701 1 19 . 1 1 53 53 TRP N N 53 119.577 119.577 120.620 -1.043 17950 6702 1 19 . 1 1 53 53 TRP HA H 53 4.121 4.121 4.304 -0.183 17950 6703 1 19 . 1 1 53 53 TRP C C 53 178.056 178.056 178.031 0.025 17950 6704 1 19 . 1 1 53 53 TRP CA C 53 59.505 59.505 59.477 0.028 17950 6705 1 19 . 1 1 53 53 TRP CB C 53 30.004 30.004 29.764 0.240 17950 6706 1 19 . 1 1 53 53 TRP H H 53 8.469 8.469 7.846 0.623 17950 6707 1 19 . 1 1 54 54 ARG N N 54 117.607 117.607 120.429 -2.822 17950 6708 1 19 . 1 1 54 54 ARG HA H 54 3.721 3.721 3.576 0.145 17950 6709 1 19 . 1 1 54 54 ARG C C 54 177.399 177.399 178.268 -0.869 17950 6710 1 19 . 1 1 54 54 ARG CA C 54 59.030 59.030 59.311 -0.281 17950 6711 1 19 . 1 1 54 54 ARG CB C 54 29.401 29.401 29.846 -0.445 17950 6712 1 19 . 1 1 54 54 ARG H H 54 7.527 7.527 7.700 -0.173 17950 6713 1 19 . 1 1 55 55 ASN N N 55 115.552 115.552 117.873 -2.321 17950 6714 1 19 . 1 1 55 55 ASN HA H 55 4.387 4.387 4.449 -0.062 17950 6715 1 19 . 1 1 55 55 ASN C C 55 176.869 176.869 177.767 -0.898 17950 6716 1 19 . 1 1 55 55 ASN CA C 55 55.320 55.320 56.207 -0.887 17950 6717 1 19 . 1 1 55 55 ASN CB C 55 39.679 39.679 38.203 1.476 17950 6718 1 19 . 1 1 55 55 ASN H H 55 7.242 7.242 8.050 -0.808 17950 6719 1 19 . 1 1 56 56 ILE N N 56 117.285 117.285 116.423 0.862 17950 6720 1 19 . 1 1 56 56 ILE HA H 56 3.768 3.768 3.926 -0.158 17950 6721 1 19 . 1 1 56 56 ILE C C 56 176.781 176.781 176.133 0.648 17950 6722 1 19 . 1 1 56 56 ILE CA C 56 62.932 62.932 64.025 -1.093 17950 6723 1 19 . 1 1 56 56 ILE CB C 56 38.341 38.341 38.122 0.219 17950 6724 1 19 . 1 1 56 56 ILE H H 56 7.760 7.760 7.756 0.004 17950 6725 1 19 . 1 1 57 57 SER N N 57 116.184 116.184 114.205 1.979 17950 6726 1 19 . 1 1 57 57 SER HA H 57 3.676 3.676 4.031 -0.355 17950 6727 1 19 . 1 1 57 57 SER C C 57 174.964 174.964 176.215 -1.251 17950 6728 1 19 . 1 1 57 57 SER CA C 57 59.435 59.435 60.399 -0.964 17950 6729 1 19 . 1 1 57 57 SER CB C 57 63.062 63.062 63.075 -0.013 17950 6730 1 19 . 1 1 57 57 SER H H 57 7.635 7.635 6.954 0.681 17950 6731 1 19 . 1 1 58 58 VAL N N 58 119.671 119.671 123.189 -3.518 17950 6732 1 19 . 1 1 58 58 VAL HA H 58 3.959 3.959 3.787 0.172 17950 6733 1 19 . 1 1 58 58 VAL C C 58 176.787 176.787 177.247 -0.460 17950 6734 1 19 . 1 1 58 58 VAL CA C 58 63.249 63.249 65.761 -2.512 17950 6735 1 19 . 1 1 58 58 VAL CB C 58 31.964 31.964 32.062 -0.098 17950 6736 1 19 . 1 1 58 58 VAL H H 58 7.454 7.454 8.023 -0.569 17950 6737 1 19 . 1 1 59 59 THR N N 59 114.912 114.912 113.842 1.070 17950 6738 1 19 . 1 1 59 59 THR HA H 59 3.924 3.924 4.572 -0.648 17950 6739 1 19 . 1 1 59 59 THR C C 59 174.839 174.839 173.716 1.123 17950 6740 1 19 . 1 1 59 59 THR CA C 59 62.616 62.616 60.535 2.081 17950 6741 1 19 . 1 1 59 59 THR CB C 59 69.358 69.358 67.960 1.398 17950 6742 1 19 . 1 1 59 59 THR H H 59 7.681 7.681 7.556 0.125 17950 6743 1 19 . 1 1 60 60 ALA N N 60 124.969 124.969 129.605 -4.636 17950 6744 1 19 . 1 1 60 60 ALA HA H 60 4.094 4.094 4.442 -0.348 17950 6745 1 19 . 1 1 60 60 ALA C C 60 177.636 177.636 177.862 -0.226 17950 6746 1 19 . 1 1 60 60 ALA CA C 60 52.909 52.909 54.279 -1.370 17950 6747 1 19 . 1 1 60 60 ALA CB C 60 18.757 18.757 19.485 -0.728 17950 6748 1 19 . 1 1 60 60 ALA H H 60 7.939 7.939 8.371 -0.432 17950 6749 1 19 . 1 1 61 61 LEU N N 61 119.572 119.572 113.691 5.881 17950 6750 1 19 . 1 1 61 61 LEU HA H 61 4.150 4.150 4.521 -0.371 17950 6751 1 19 . 1 1 61 61 LEU C C 61 177.260 177.260 178.710 -1.450 17950 6752 1 19 . 1 1 61 61 LEU CA C 61 55.183 55.183 55.294 -0.111 17950 6753 1 19 . 1 1 61 61 LEU CB C 61 41.901 41.901 41.848 0.053 17950 6754 1 19 . 1 1 61 61 LEU H H 61 7.812 7.812 7.790 0.022 17950 6755 1 19 . 1 1 62 62 TRP N N 62 120.635 120.635 122.190 -1.555 17950 6756 1 19 . 1 1 62 62 TRP HA H 62 4.617 4.617 4.445 0.172 17950 6757 1 19 . 1 1 62 62 TRP C C 62 176.752 176.752 177.727 -0.975 17950 6758 1 19 . 1 1 62 62 TRP CA C 62 57.262 57.262 58.985 -1.723 17950 6759 1 19 . 1 1 62 62 TRP CB C 62 29.579 29.579 29.209 0.371 17950 6760 1 19 . 1 1 62 62 TRP H H 62 7.851 7.851 8.235 -0.384 17950 6761 1 19 . 1 1 63 63 GLY N N 63 110.695 110.695 106.060 4.635 17950 6762 1 19 . 1 1 63 63 GLY C C 63 173.238 173.238 173.354 -0.116 17950 6763 1 19 . 1 1 63 63 GLY CA C 63 45.357 45.357 44.543 0.814 17950 6764 1 19 . 1 1 63 63 GLY H H 63 8.132 8.132 7.997 0.135 17950 6765 1 20 . 1 1 2 2 GLY N N 2 110.542 110.542 110.853 -0.311 17950 6766 1 20 . 1 1 2 2 GLY C C 2 173.237 173.237 172.749 0.488 17950 6767 1 20 . 1 1 2 2 GLY CA C 2 44.918 44.918 44.581 0.337 17950 6768 1 20 . 1 1 2 2 GLY H H 2 8.335 8.335 8.331 0.004 17950 6769 1 20 . 1 1 3 3 ALA N N 3 124.917 124.917 121.402 3.515 17950 6770 1 20 . 1 1 3 3 ALA HA H 3 4.513 4.513 4.693 -0.180 17950 6771 1 20 . 1 1 3 3 ALA CA C 3 50.370 50.370 50.651 -0.281 17950 6772 1 20 . 1 1 3 3 ALA CB C 3 18.052 18.052 20.710 -2.658 17950 6773 1 20 . 1 1 3 3 ALA H H 3 8.069 8.069 8.132 -0.063 17950 6774 1 20 . 1 1 4 4 PRO HA H 4 4.341 4.341 4.421 -0.080 17950 6775 1 20 . 1 1 4 4 PRO C C 4 177.068 177.068 176.904 0.164 17950 6776 1 20 . 1 1 4 4 PRO CA C 4 63.007 63.007 63.730 -0.723 17950 6777 1 20 . 1 1 4 4 PRO CB C 4 32.015 32.015 32.138 -0.123 17950 6778 1 20 . 1 1 5 5 LYS N N 5 121.494 121.494 120.263 1.231 17950 6779 1 20 . 1 1 5 5 LYS HA H 5 4.180 4.180 4.379 -0.199 17950 6780 1 20 . 1 1 5 5 LYS C C 5 176.697 176.697 176.053 0.644 17950 6781 1 20 . 1 1 5 5 LYS CA C 5 56.140 56.140 55.656 0.484 17950 6782 1 20 . 1 1 5 5 LYS CB C 5 32.871 32.871 30.018 2.853 17950 6783 1 20 . 1 1 5 5 LYS H H 5 8.376 8.376 8.317 0.059 17950 6784 1 20 . 1 1 6 6 GLN N N 6 121.572 121.572 119.543 2.029 17950 6785 1 20 . 1 1 6 6 GLN HA H 6 4.230 4.230 4.510 -0.280 17950 6786 1 20 . 1 1 6 6 GLN C C 6 176.847 176.847 175.507 1.340 17950 6787 1 20 . 1 1 6 6 GLN CA C 6 55.634 55.634 55.551 0.083 17950 6788 1 20 . 1 1 6 6 GLN CB C 6 29.290 29.290 31.836 -2.546 17950 6789 1 20 . 1 1 6 6 GLN H H 6 8.438 8.438 7.906 0.532 17950 6790 1 20 . 1 1 7 7 LYS N N 7 125.757 125.757 120.581 5.176 17950 6791 1 20 . 1 1 7 7 LYS HA H 7 4.259 4.259 4.015 0.244 17950 6792 1 20 . 1 1 7 7 LYS C C 7 176.770 176.770 175.100 1.670 17950 6793 1 20 . 1 1 7 7 LYS CA C 7 56.899 56.899 57.371 -0.472 17950 6794 1 20 . 1 1 7 7 LYS CB C 7 32.782 32.782 32.386 0.396 17950 6795 1 20 . 1 1 7 7 LYS H H 7 8.500 8.500 8.745 -0.245 17950 6796 1 20 . 1 1 8 8 TRP N N 8 125.581 125.581 117.031 8.550 17950 6797 1 20 . 1 1 8 8 TRP HA H 8 4.504 4.504 4.936 -0.432 17950 6798 1 20 . 1 1 8 8 TRP C C 8 177.459 177.459 175.021 2.438 17950 6799 1 20 . 1 1 8 8 TRP CA C 8 57.777 57.777 55.505 2.272 17950 6800 1 20 . 1 1 8 8 TRP CB C 8 28.836 28.836 32.272 -3.436 17950 6801 1 20 . 1 1 8 8 TRP H H 8 8.959 8.959 7.457 1.502 17950 6802 1 20 . 1 1 9 9 THR N N 9 115.986 115.986 110.988 4.998 17950 6803 1 20 . 1 1 9 9 THR HA H 9 4.759 4.759 5.058 -0.299 17950 6804 1 20 . 1 1 9 9 THR CA C 9 59.565 59.565 59.344 0.221 17950 6805 1 20 . 1 1 9 9 THR CB C 9 68.786 68.786 70.384 -1.598 17950 6806 1 20 . 1 1 9 9 THR H H 9 9.105 9.105 8.543 0.562 17950 6807 1 20 . 1 1 10 10 PRO HA H 10 4.369 4.369 4.590 -0.221 17950 6808 1 20 . 1 1 10 10 PRO C C 10 180.115 180.115 178.690 1.425 17950 6809 1 20 . 1 1 10 10 PRO CA C 10 65.387 65.387 65.060 0.327 17950 6810 1 20 . 1 1 10 10 PRO CB C 10 31.739 31.739 32.012 -0.273 17950 6811 1 20 . 1 1 11 11 GLU N N 11 118.329 118.329 119.074 -0.745 17950 6812 1 20 . 1 1 11 11 GLU HA H 11 4.065 4.065 3.992 0.073 17950 6813 1 20 . 1 1 11 11 GLU C C 11 180.122 180.122 178.811 1.311 17950 6814 1 20 . 1 1 11 11 GLU CA C 11 60.640 60.640 60.299 0.341 17950 6815 1 20 . 1 1 11 11 GLU CB C 11 28.680 28.680 29.254 -0.574 17950 6816 1 20 . 1 1 11 11 GLU H H 11 9.009 9.009 9.028 -0.019 17950 6817 1 20 . 1 1 12 12 GLU N N 12 121.178 121.178 117.810 3.368 17950 6818 1 20 . 1 1 12 12 GLU HA H 12 3.857 3.857 4.125 -0.268 17950 6819 1 20 . 1 1 12 12 GLU C C 12 179.021 179.021 179.034 -0.013 17950 6820 1 20 . 1 1 12 12 GLU CA C 12 59.900 59.900 59.223 0.677 17950 6821 1 20 . 1 1 12 12 GLU CB C 12 32.276 32.276 29.353 2.923 17950 6822 1 20 . 1 1 12 12 GLU H H 12 7.952 7.952 8.146 -0.194 17950 6823 1 20 . 1 1 13 13 GLU N N 13 118.771 118.771 120.293 -1.522 17950 6824 1 20 . 1 1 13 13 GLU HA H 13 3.928 3.928 3.945 -0.017 17950 6825 1 20 . 1 1 13 13 GLU C C 13 178.499 178.499 178.842 -0.343 17950 6826 1 20 . 1 1 13 13 GLU CA C 13 61.052 61.052 59.348 1.704 17950 6827 1 20 . 1 1 13 13 GLU CB C 13 29.552 29.552 29.417 0.135 17950 6828 1 20 . 1 1 13 13 GLU H H 13 8.446 8.446 7.435 1.011 17950 6829 1 20 . 1 1 14 14 ALA N N 14 120.274 120.274 121.216 -0.942 17950 6830 1 20 . 1 1 14 14 ALA HA H 14 4.095 4.095 3.969 0.126 17950 6831 1 20 . 1 1 14 14 ALA C C 14 180.719 180.719 179.477 1.242 17950 6832 1 20 . 1 1 14 14 ALA CA C 14 55.053 55.053 54.998 0.055 17950 6833 1 20 . 1 1 14 14 ALA CB C 14 18.019 18.019 18.140 -0.121 17950 6834 1 20 . 1 1 14 14 ALA H H 14 8.434 8.434 7.797 0.637 17950 6835 1 20 . 1 1 15 15 ALA N N 15 122.356 122.356 120.700 1.656 17950 6836 1 20 . 1 1 15 15 ALA HA H 15 4.381 4.381 3.633 0.748 17950 6837 1 20 . 1 1 15 15 ALA C C 15 178.553 178.553 178.727 -0.174 17950 6838 1 20 . 1 1 15 15 ALA CA C 15 54.786 54.786 54.342 0.444 17950 6839 1 20 . 1 1 15 15 ALA CB C 15 18.779 18.779 17.727 1.052 17950 6840 1 20 . 1 1 15 15 ALA H H 15 7.900 7.900 7.817 0.083 17950 6841 1 20 . 1 1 16 16 LEU N N 16 118.626 118.626 119.915 -1.289 17950 6842 1 20 . 1 1 16 16 LEU HA H 16 3.921 3.921 3.721 0.200 17950 6843 1 20 . 1 1 16 16 LEU C C 16 177.536 177.536 178.239 -0.703 17950 6844 1 20 . 1 1 16 16 LEU CA C 16 58.384 58.384 58.319 0.064 17950 6845 1 20 . 1 1 16 16 LEU CB C 16 42.189 42.189 42.010 0.179 17950 6846 1 20 . 1 1 16 16 LEU H H 16 8.182 8.182 7.817 0.365 17950 6847 1 20 . 1 1 17 17 LYS N N 17 117.009 117.009 118.946 -1.937 17950 6848 1 20 . 1 1 17 17 LYS HA H 17 3.906 3.906 3.772 0.134 17950 6849 1 20 . 1 1 17 17 LYS C C 17 178.796 178.796 178.811 -0.015 17950 6850 1 20 . 1 1 17 17 LYS CA C 17 60.496 60.496 59.654 0.842 17950 6851 1 20 . 1 1 17 17 LYS CB C 17 32.720 32.720 31.791 0.929 17950 6852 1 20 . 1 1 17 17 LYS H H 17 8.029 8.029 7.614 0.415 17950 6853 1 20 . 1 1 18 18 ALA N N 18 121.422 121.422 120.575 0.847 17950 6854 1 20 . 1 1 18 18 ALA HA H 18 4.021 4.021 4.057 -0.036 17950 6855 1 20 . 1 1 18 18 ALA C C 18 180.627 180.627 179.847 0.780 17950 6856 1 20 . 1 1 18 18 ALA CA C 18 54.752 54.752 55.002 -0.250 17950 6857 1 20 . 1 1 18 18 ALA CB C 18 18.405 18.405 18.038 0.367 17950 6858 1 20 . 1 1 18 18 ALA H H 18 8.174 8.174 7.811 0.363 17950 6859 1 20 . 1 1 19 19 GLY N N 19 110.862 110.862 107.048 3.814 17950 6860 1 20 . 1 1 19 19 GLY C C 19 174.803 174.803 176.218 -1.415 17950 6861 1 20 . 1 1 19 19 GLY CA C 19 47.190 47.190 47.001 0.189 17950 6862 1 20 . 1 1 19 19 GLY H H 19 8.503 8.503 7.507 0.996 17950 6863 1 20 . 1 1 20 20 VAL N N 20 123.677 123.677 122.993 0.684 17950 6864 1 20 . 1 1 20 20 VAL HA H 20 3.166 3.166 3.796 -0.630 17950 6865 1 20 . 1 1 20 20 VAL C C 20 179.632 179.632 177.840 1.792 17950 6866 1 20 . 1 1 20 20 VAL CA C 20 65.603 65.603 66.122 -0.519 17950 6867 1 20 . 1 1 20 20 VAL CB C 20 30.946 30.946 31.313 -0.367 17950 6868 1 20 . 1 1 20 20 VAL H H 20 8.106 8.106 8.015 0.091 17950 6869 1 20 . 1 1 21 21 LEU N N 21 122.348 122.348 118.433 3.915 17950 6870 1 20 . 1 1 21 21 LEU HA H 21 3.894 3.894 3.991 -0.097 17950 6871 1 20 . 1 1 21 21 LEU C C 21 178.085 178.085 178.547 -0.462 17950 6872 1 20 . 1 1 21 21 LEU CA C 21 58.028 58.028 57.264 0.764 17950 6873 1 20 . 1 1 21 21 LEU CB C 21 41.401 41.401 41.942 -0.541 17950 6874 1 20 . 1 1 21 21 LEU H H 21 7.817 7.817 8.042 -0.225 17950 6875 1 20 . 1 1 22 22 LYS N N 22 117.663 117.663 118.427 -0.764 17950 6876 1 20 . 1 1 22 22 LYS HA H 22 3.837 3.837 4.013 -0.176 17950 6877 1 20 . 1 1 22 22 LYS C C 22 177.740 177.740 178.391 -0.651 17950 6878 1 20 . 1 1 22 22 LYS CA C 22 59.206 59.206 58.757 0.449 17950 6879 1 20 . 1 1 22 22 LYS CB C 22 35.176 35.176 32.411 2.765 17950 6880 1 20 . 1 1 22 22 LYS H H 22 7.520 7.520 7.752 -0.232 17950 6881 1 20 . 1 1 23 23 HIS N N 23 113.904 113.904 113.796 0.108 17950 6882 1 20 . 1 1 23 23 HIS HA H 23 4.625 4.625 4.628 -0.003 17950 6883 1 20 . 1 1 23 23 HIS C C 23 176.122 176.122 175.482 0.640 17950 6884 1 20 . 1 1 23 23 HIS CA C 23 57.211 57.211 56.819 0.392 17950 6885 1 20 . 1 1 23 23 HIS CB C 23 33.414 33.414 32.481 0.933 17950 6886 1 20 . 1 1 23 23 HIS H H 23 8.311 8.311 7.739 0.572 17950 6887 1 20 . 1 1 24 24 GLY N N 24 110.098 110.098 105.446 4.652 17950 6888 1 20 . 1 1 24 24 GLY C C 24 173.041 173.041 172.154 0.887 17950 6889 1 20 . 1 1 24 24 GLY CA C 24 43.563 43.563 44.847 -1.284 17950 6890 1 20 . 1 1 24 24 GLY H H 24 8.158 8.158 7.599 0.559 17950 6891 1 20 . 1 1 25 25 THR N N 25 108.590 108.590 112.181 -3.591 17950 6892 1 20 . 1 1 25 25 THR HA H 25 3.123 3.123 4.012 -0.889 17950 6893 1 20 . 1 1 25 25 THR C C 25 174.866 174.866 175.392 -0.526 17950 6894 1 20 . 1 1 25 25 THR CA C 25 61.992 61.992 62.054 -0.062 17950 6895 1 20 . 1 1 25 25 THR CB C 25 69.110 69.110 69.496 -0.385 17950 6896 1 20 . 1 1 25 25 THR H H 25 7.826 7.826 8.333 -0.507 17950 6897 1 20 . 1 1 26 26 GLY N N 26 106.794 106.794 113.522 -6.728 17950 6898 1 20 . 1 1 26 26 GLY C C 26 173.988 173.988 174.858 -0.870 17950 6899 1 20 . 1 1 26 26 GLY CA C 26 45.639 45.639 45.570 0.069 17950 6900 1 20 . 1 1 26 26 GLY H H 26 5.553 5.553 8.490 -2.937 17950 6901 1 20 . 1 1 27 27 LYS N N 27 122.617 122.617 122.572 0.045 17950 6902 1 20 . 1 1 27 27 LYS HA H 27 4.499 4.499 4.257 0.242 17950 6903 1 20 . 1 1 27 27 LYS C C 27 176.586 176.586 176.525 0.061 17950 6904 1 20 . 1 1 27 27 LYS CA C 27 53.590 53.590 54.655 -1.065 17950 6905 1 20 . 1 1 27 27 LYS CB C 27 30.298 30.298 29.811 0.487 17950 6906 1 20 . 1 1 27 27 LYS H H 27 7.025 7.025 8.151 -1.126 17950 6907 1 20 . 1 1 28 28 TRP N N 28 119.816 119.816 121.317 -1.501 17950 6908 1 20 . 1 1 28 28 TRP HA H 28 4.130 4.130 4.282 -0.152 17950 6909 1 20 . 1 1 28 28 TRP C C 28 178.012 178.012 177.367 0.645 17950 6910 1 20 . 1 1 28 28 TRP CA C 28 58.414 58.414 60.042 -1.628 17950 6911 1 20 . 1 1 28 28 TRP CB C 28 30.008 30.008 28.402 1.606 17950 6912 1 20 . 1 1 28 28 TRP H H 28 6.384 6.384 7.848 -1.464 17950 6913 1 20 . 1 1 29 29 ARG N N 29 115.616 115.616 120.398 -4.782 17950 6914 1 20 . 1 1 29 29 ARG HA H 29 3.963 3.963 4.081 -0.118 17950 6915 1 20 . 1 1 29 29 ARG C C 29 178.821 178.821 178.001 0.820 17950 6916 1 20 . 1 1 29 29 ARG CA C 29 59.381 59.381 58.754 0.627 17950 6917 1 20 . 1 1 29 29 ARG CB C 29 29.366 29.366 28.896 0.470 17950 6918 1 20 . 1 1 29 29 ARG H H 29 8.465 8.465 7.340 1.125 17950 6919 1 20 . 1 1 30 30 THR N N 30 118.439 118.439 115.937 2.502 17950 6920 1 20 . 1 1 30 30 THR HA H 30 3.594 3.594 3.910 -0.316 17950 6921 1 20 . 1 1 30 30 THR C C 30 176.351 176.351 177.318 -0.967 17950 6922 1 20 . 1 1 30 30 THR CA C 30 66.347 66.347 66.180 0.167 17950 6923 1 20 . 1 1 30 30 THR CB C 30 68.157 68.157 68.362 -0.205 17950 6924 1 20 . 1 1 30 30 THR H H 30 7.451 7.451 7.681 -0.230 17950 6925 1 20 . 1 1 31 31 ILE N N 31 121.530 121.530 122.024 -0.494 17950 6926 1 20 . 1 1 31 31 ILE HA H 31 3.403 3.403 3.691 -0.288 17950 6927 1 20 . 1 1 31 31 ILE C C 31 176.326 176.326 178.027 -1.701 17950 6928 1 20 . 1 1 31 31 ILE CA C 31 66.885 66.885 64.981 1.904 17950 6929 1 20 . 1 1 31 31 ILE CB C 31 38.320 38.320 37.871 0.449 17950 6930 1 20 . 1 1 31 31 ILE H H 31 7.551 7.551 8.328 -0.777 17950 6931 1 20 . 1 1 32 32 LEU N N 32 113.721 113.721 117.263 -3.542 17950 6932 1 20 . 1 1 32 32 LEU HA H 32 3.871 3.871 4.052 -0.181 17950 6933 1 20 . 1 1 32 32 LEU C C 32 177.633 177.633 177.402 0.231 17950 6934 1 20 . 1 1 32 32 LEU CA C 32 56.846 56.846 56.541 0.305 17950 6935 1 20 . 1 1 32 32 LEU CB C 32 42.246 42.246 41.883 0.362 17950 6936 1 20 . 1 1 32 32 LEU H H 32 7.317 7.317 7.658 -0.341 17950 6937 1 20 . 1 1 33 33 SER N N 33 110.515 110.515 110.763 -0.248 17950 6938 1 20 . 1 1 33 33 SER HA H 33 4.442 4.442 4.410 0.032 17950 6939 1 20 . 1 1 33 33 SER C C 33 173.479 173.479 173.227 0.252 17950 6940 1 20 . 1 1 33 33 SER CA C 33 58.210 58.210 58.313 -0.103 17950 6941 1 20 . 1 1 33 33 SER CB C 33 64.194 64.194 64.030 0.164 17950 6942 1 20 . 1 1 33 33 SER H H 33 7.389 7.389 7.459 -0.070 17950 6943 1 20 . 1 1 34 34 ASP N N 34 125.920 125.920 121.342 4.578 17950 6944 1 20 . 1 1 34 34 ASP HA H 34 4.617 4.617 4.795 -0.178 17950 6945 1 20 . 1 1 34 34 ASP C C 34 178.020 178.020 177.197 0.823 17950 6946 1 20 . 1 1 34 34 ASP CA C 34 53.652 53.652 52.792 0.860 17950 6947 1 20 . 1 1 34 34 ASP CB C 34 42.056 42.056 42.237 -0.181 17950 6948 1 20 . 1 1 34 34 ASP H H 34 7.426 7.426 7.584 -0.158 17950 6949 1 20 . 1 1 35 35 THR N N 35 122.180 122.180 121.004 1.176 17950 6950 1 20 . 1 1 35 35 THR HA H 35 4.223 4.223 4.040 0.183 17950 6951 1 20 . 1 1 35 35 THR C C 35 175.997 175.997 176.282 -0.285 17950 6952 1 20 . 1 1 35 35 THR CA C 35 64.686 64.686 65.725 -1.039 17950 6953 1 20 . 1 1 35 35 THR CB C 35 68.728 68.728 68.698 0.030 17950 6954 1 20 . 1 1 35 35 THR H H 35 8.689 8.689 8.714 -0.025 17950 6955 1 20 . 1 1 36 36 GLU N N 36 122.403 122.403 121.431 0.972 17950 6956 1 20 . 1 1 36 36 GLU HA H 36 3.698 3.698 4.172 -0.474 17950 6957 1 20 . 1 1 36 36 GLU C C 36 177.497 177.497 176.688 0.809 17950 6958 1 20 . 1 1 36 36 GLU CA C 36 59.317 59.317 58.486 0.831 17950 6959 1 20 . 1 1 36 36 GLU CB C 36 29.107 29.107 29.766 -0.659 17950 6960 1 20 . 1 1 36 36 GLU H H 36 8.818 8.818 8.594 0.224 17950 6961 1 20 . 1 1 37 37 PHE N N 37 114.348 114.348 115.849 -1.501 17950 6962 1 20 . 1 1 37 37 PHE HA H 37 4.857 4.857 4.729 0.128 17950 6963 1 20 . 1 1 37 37 PHE C C 37 177.191 177.191 173.687 3.504 17950 6964 1 20 . 1 1 37 37 PHE CA C 37 56.463 56.463 56.393 0.070 17950 6965 1 20 . 1 1 37 37 PHE CB C 37 41.086 41.086 39.718 1.368 17950 6966 1 20 . 1 1 37 37 PHE H H 37 7.477 7.477 7.849 -0.372 17950 6967 1 20 . 1 1 38 38 SER N N 38 114.722 114.722 117.675 -2.953 17950 6968 1 20 . 1 1 38 38 SER HA H 38 3.822 3.822 4.377 -0.555 17950 6969 1 20 . 1 1 38 38 SER C C 38 176.516 176.516 176.208 0.308 17950 6970 1 20 . 1 1 38 38 SER CA C 38 61.996 61.996 59.817 2.179 17950 6971 1 20 . 1 1 38 38 SER CB C 38 62.761 62.761 64.138 -1.377 17950 6972 1 20 . 1 1 38 38 SER H H 38 8.546 8.546 7.599 0.947 17950 6973 1 20 . 1 1 39 39 LEU N N 39 121.277 121.277 120.221 1.056 17950 6974 1 20 . 1 1 39 39 LEU HA H 39 4.213 4.213 4.142 0.071 17950 6975 1 20 . 1 1 39 39 LEU C C 39 179.777 179.777 178.763 1.014 17950 6976 1 20 . 1 1 39 39 LEU CA C 39 57.171 57.171 57.709 -0.538 17950 6977 1 20 . 1 1 39 39 LEU CB C 39 41.340 41.340 41.473 -0.133 17950 6978 1 20 . 1 1 39 39 LEU H H 39 8.115 8.115 7.958 0.157 17950 6979 1 20 . 1 1 40 40 ILE N N 40 120.137 120.137 115.481 4.656 17950 6980 1 20 . 1 1 40 40 ILE HA H 40 3.701 3.701 3.991 -0.290 17950 6981 1 20 . 1 1 40 40 ILE C C 40 178.413 178.413 176.466 1.947 17950 6982 1 20 . 1 1 40 40 ILE CA C 40 63.624 63.624 63.106 0.518 17950 6983 1 20 . 1 1 40 40 ILE CB C 40 38.778 38.778 38.157 0.621 17950 6984 1 20 . 1 1 40 40 ILE H H 40 7.525 7.525 7.849 -0.324 17950 6985 1 20 . 1 1 41 41 LEU N N 41 117.023 117.023 116.210 0.813 17950 6986 1 20 . 1 1 41 41 LEU HA H 41 4.406 4.406 4.693 -0.287 17950 6987 1 20 . 1 1 41 41 LEU C C 41 176.196 176.196 178.008 -1.812 17950 6988 1 20 . 1 1 41 41 LEU CA C 41 54.256 54.256 53.459 0.797 17950 6989 1 20 . 1 1 41 41 LEU CB C 41 41.891 41.891 41.901 -0.010 17950 6990 1 20 . 1 1 41 41 LEU H H 41 7.608 7.608 7.665 -0.057 17950 6991 1 20 . 1 1 42 42 LYS N N 42 116.369 116.369 120.609 -4.240 17950 6992 1 20 . 1 1 42 42 LYS HA H 42 4.050 4.050 4.087 -0.037 17950 6993 1 20 . 1 1 42 42 LYS C C 42 177.139 177.139 177.065 0.074 17950 6994 1 20 . 1 1 42 42 LYS CA C 42 59.111 59.111 58.720 0.391 17950 6995 1 20 . 1 1 42 42 LYS CB C 42 32.553 32.553 31.396 1.157 17950 6996 1 20 . 1 1 42 42 LYS H H 42 6.645 6.645 7.775 -1.130 17950 6997 1 20 . 1 1 43 43 SER N N 43 115.061 115.061 113.075 1.986 17950 6998 1 20 . 1 1 43 43 SER HA H 43 4.407 4.407 4.353 0.054 17950 6999 1 20 . 1 1 43 43 SER C C 43 173.754 173.754 174.647 -0.893 17950 7000 1 20 . 1 1 43 43 SER CA C 43 58.850 58.850 60.168 -1.318 17950 7001 1 20 . 1 1 43 43 SER CB C 43 63.117 63.117 63.674 -0.557 17950 7002 1 20 . 1 1 43 43 SER H H 43 8.443 8.443 8.313 0.130 17950 7003 1 20 . 1 1 44 44 ARG N N 44 119.658 119.658 120.200 -0.542 17950 7004 1 20 . 1 1 44 44 ARG HA H 44 4.674 4.674 4.598 0.076 17950 7005 1 20 . 1 1 44 44 ARG C C 44 174.410 174.410 174.533 -0.123 17950 7006 1 20 . 1 1 44 44 ARG CA C 44 52.244 52.244 54.198 -1.954 17950 7007 1 20 . 1 1 44 44 ARG CB C 44 31.309 31.309 31.784 -0.475 17950 7008 1 20 . 1 1 44 44 ARG H H 44 8.036 8.036 7.652 0.384 17950 7009 1 20 . 1 1 45 45 SER N N 45 116.676 116.676 113.299 3.377 17950 7010 1 20 . 1 1 45 45 SER HA H 45 4.764 4.764 4.700 0.064 17950 7011 1 20 . 1 1 45 45 SER C C 45 175.294 175.294 174.868 0.426 17950 7012 1 20 . 1 1 45 45 SER CA C 45 55.857 55.857 56.993 -1.136 17950 7013 1 20 . 1 1 45 45 SER CB C 45 66.828 66.828 65.814 1.014 17950 7014 1 20 . 1 1 45 45 SER H H 45 9.180 9.180 8.188 0.992 17950 7015 1 20 . 1 1 46 46 ASN N N 46 118.004 118.004 120.251 -2.247 17950 7016 1 20 . 1 1 46 46 ASN HA H 46 3.954 3.954 4.485 -0.531 17950 7017 1 20 . 1 1 46 46 ASN C C 46 176.356 176.356 177.191 -0.835 17950 7018 1 20 . 1 1 46 46 ASN CA C 46 57.734 57.734 55.926 1.808 17950 7019 1 20 . 1 1 46 46 ASN CB C 46 36.901 36.901 37.901 -1.000 17950 7020 1 20 . 1 1 46 46 ASN H H 46 9.005 9.005 8.787 0.218 17950 7021 1 20 . 1 1 47 47 VAL N N 47 119.294 119.294 118.912 0.382 17950 7022 1 20 . 1 1 47 47 VAL HA H 47 3.422 3.422 3.585 -0.163 17950 7023 1 20 . 1 1 47 47 VAL C C 47 176.899 176.899 177.287 -0.388 17950 7024 1 20 . 1 1 47 47 VAL CA C 47 65.439 65.439 65.623 -0.184 17950 7025 1 20 . 1 1 47 47 VAL CB C 47 31.863 31.863 31.743 0.120 17950 7026 1 20 . 1 1 47 47 VAL H H 47 7.329 7.329 7.908 -0.579 17950 7027 1 20 . 1 1 48 48 ASP N N 48 120.297 120.297 119.906 0.391 17950 7028 1 20 . 1 1 48 48 ASP HA H 48 4.358 4.358 4.516 -0.158 17950 7029 1 20 . 1 1 48 48 ASP C C 48 179.879 179.879 178.571 1.308 17950 7030 1 20 . 1 1 48 48 ASP CA C 48 57.162 57.162 57.374 -0.212 17950 7031 1 20 . 1 1 48 48 ASP CB C 48 41.040 41.040 40.847 0.193 17950 7032 1 20 . 1 1 48 48 ASP H H 48 7.597 7.597 7.691 -0.094 17950 7033 1 20 . 1 1 49 49 LEU N N 49 119.624 119.624 120.410 -0.786 17950 7034 1 20 . 1 1 49 49 LEU HA H 49 3.824 3.824 3.999 -0.175 17950 7035 1 20 . 1 1 49 49 LEU C C 49 176.207 176.207 178.728 -2.521 17950 7036 1 20 . 1 1 49 49 LEU CA C 49 59.202 59.202 58.445 0.757 17950 7037 1 20 . 1 1 49 49 LEU CB C 49 41.113 41.113 41.614 -0.501 17950 7038 1 20 . 1 1 49 49 LEU H H 49 7.835 7.835 7.644 0.191 17950 7039 1 20 . 1 1 50 50 LYS N N 50 119.306 119.306 117.909 1.397 17950 7040 1 20 . 1 1 50 50 LYS HA H 50 2.427 2.427 4.157 -1.730 17950 7041 1 20 . 1 1 50 50 LYS C C 50 178.745 178.745 178.781 -0.036 17950 7042 1 20 . 1 1 50 50 LYS CA C 50 59.310 59.310 59.502 -0.192 17950 7043 1 20 . 1 1 50 50 LYS CB C 50 31.906 31.906 31.779 0.127 17950 7044 1 20 . 1 1 50 50 LYS H H 50 6.788 6.788 7.738 -0.950 17950 7045 1 20 . 1 1 51 51 ASP N N 51 118.721 118.721 120.603 -1.882 17950 7046 1 20 . 1 1 51 51 ASP HA H 51 4.167 4.167 4.426 -0.259 17950 7047 1 20 . 1 1 51 51 ASP C C 51 178.461 178.461 178.561 -0.100 17950 7048 1 20 . 1 1 51 51 ASP CA C 51 56.852 56.852 57.035 -0.183 17950 7049 1 20 . 1 1 51 51 ASP CB C 51 40.475 40.475 40.653 -0.178 17950 7050 1 20 . 1 1 51 51 ASP H H 51 8.203 8.203 7.866 0.337 17950 7051 1 20 . 1 1 52 52 LYS N N 52 121.009 121.009 119.550 1.459 17950 7052 1 20 . 1 1 52 52 LYS HA H 52 3.776 3.776 4.044 -0.268 17950 7053 1 20 . 1 1 52 52 LYS C C 52 178.328 178.328 178.814 -0.486 17950 7054 1 20 . 1 1 52 52 LYS CA C 52 56.841 56.841 59.120 -2.279 17950 7055 1 20 . 1 1 52 52 LYS CB C 52 31.473 31.473 32.182 -0.709 17950 7056 1 20 . 1 1 52 52 LYS H H 52 7.842 7.842 8.157 -0.315 17950 7057 1 20 . 1 1 53 53 TRP N N 53 119.577 119.577 121.000 -1.423 17950 7058 1 20 . 1 1 53 53 TRP HA H 53 4.121 4.121 4.259 -0.138 17950 7059 1 20 . 1 1 53 53 TRP C C 53 178.056 178.056 178.233 -0.177 17950 7060 1 20 . 1 1 53 53 TRP CA C 53 59.505 59.505 59.539 -0.034 17950 7061 1 20 . 1 1 53 53 TRP CB C 53 30.004 30.004 29.814 0.190 17950 7062 1 20 . 1 1 53 53 TRP H H 53 8.469 8.469 7.893 0.576 17950 7063 1 20 . 1 1 54 54 ARG N N 54 117.607 117.607 118.942 -1.335 17950 7064 1 20 . 1 1 54 54 ARG HA H 54 3.721 3.721 3.691 0.030 17950 7065 1 20 . 1 1 54 54 ARG C C 54 177.399 177.399 178.311 -0.912 17950 7066 1 20 . 1 1 54 54 ARG CA C 54 59.030 59.030 59.545 -0.515 17950 7067 1 20 . 1 1 54 54 ARG CB C 54 29.401 29.401 29.852 -0.451 17950 7068 1 20 . 1 1 54 54 ARG H H 54 7.527 7.527 8.461 -0.934 17950 7069 1 20 . 1 1 55 55 ASN N N 55 115.552 115.552 116.926 -1.374 17950 7070 1 20 . 1 1 55 55 ASN HA H 55 4.387 4.387 4.552 -0.165 17950 7071 1 20 . 1 1 55 55 ASN C C 55 176.869 176.869 177.205 -0.336 17950 7072 1 20 . 1 1 55 55 ASN CA C 55 55.320 55.320 55.476 -0.156 17950 7073 1 20 . 1 1 55 55 ASN CB C 55 39.679 39.679 38.636 1.043 17950 7074 1 20 . 1 1 55 55 ASN H H 55 7.242 7.242 7.745 -0.503 17950 7075 1 20 . 1 1 56 56 ILE N N 56 117.285 117.285 117.468 -0.183 17950 7076 1 20 . 1 1 56 56 ILE HA H 56 3.768 3.768 3.941 -0.173 17950 7077 1 20 . 1 1 56 56 ILE C C 56 176.781 176.781 175.933 0.848 17950 7078 1 20 . 1 1 56 56 ILE CA C 56 62.932 62.932 63.203 -0.271 17950 7079 1 20 . 1 1 56 56 ILE CB C 56 38.341 38.341 38.303 0.037 17950 7080 1 20 . 1 1 56 56 ILE H H 56 7.760 7.760 7.425 0.335 17950 7081 1 20 . 1 1 57 57 SER N N 57 116.184 116.184 113.691 2.493 17950 7082 1 20 . 1 1 57 57 SER HA H 57 3.676 3.676 4.009 -0.333 17950 7083 1 20 . 1 1 57 57 SER C C 57 174.964 174.964 176.486 -1.522 17950 7084 1 20 . 1 1 57 57 SER CA C 57 59.435 59.435 59.827 -0.392 17950 7085 1 20 . 1 1 57 57 SER CB C 57 63.062 63.062 63.465 -0.403 17950 7086 1 20 . 1 1 57 57 SER H H 57 7.635 7.635 7.437 0.198 17950 7087 1 20 . 1 1 58 58 VAL N N 58 119.671 119.671 119.904 -0.233 17950 7088 1 20 . 1 1 58 58 VAL HA H 58 3.959 3.959 3.821 0.138 17950 7089 1 20 . 1 1 58 58 VAL C C 58 176.787 176.787 175.872 0.915 17950 7090 1 20 . 1 1 58 58 VAL CA C 58 63.249 63.249 65.025 -1.776 17950 7091 1 20 . 1 1 58 58 VAL CB C 58 31.964 31.964 32.038 -0.075 17950 7092 1 20 . 1 1 58 58 VAL H H 58 7.454 7.454 7.624 -0.170 17950 7093 1 20 . 1 1 59 59 THR N N 59 114.912 114.912 113.079 1.833 17950 7094 1 20 . 1 1 59 59 THR HA H 59 3.924 3.924 4.646 -0.722 17950 7095 1 20 . 1 1 59 59 THR C C 59 174.839 174.839 173.344 1.495 17950 7096 1 20 . 1 1 59 59 THR CA C 59 62.616 62.616 61.048 1.568 17950 7097 1 20 . 1 1 59 59 THR CB C 59 69.358 69.358 68.419 0.939 17950 7098 1 20 . 1 1 59 59 THR H H 59 7.681 7.681 7.709 -0.028 17950 7099 1 20 . 1 1 60 60 ALA N N 60 124.969 124.969 129.220 -4.251 17950 7100 1 20 . 1 1 60 60 ALA HA H 60 4.094 4.094 4.490 -0.396 17950 7101 1 20 . 1 1 60 60 ALA C C 60 177.636 177.636 177.398 0.238 17950 7102 1 20 . 1 1 60 60 ALA CA C 60 52.909 52.909 53.564 -0.655 17950 7103 1 20 . 1 1 60 60 ALA CB C 60 18.757 18.757 19.591 -0.834 17950 7104 1 20 . 1 1 60 60 ALA H H 60 7.939 7.939 8.380 -0.441 17950 7105 1 20 . 1 1 61 61 LEU N N 61 119.572 119.572 115.598 3.974 17950 7106 1 20 . 1 1 61 61 LEU HA H 61 4.150 4.150 4.385 -0.235 17950 7107 1 20 . 1 1 61 61 LEU C C 61 177.260 177.260 177.759 -0.499 17950 7108 1 20 . 1 1 61 61 LEU CA C 61 55.183 55.183 55.955 -0.772 17950 7109 1 20 . 1 1 61 61 LEU CB C 61 41.901 41.901 41.222 0.679 17950 7110 1 20 . 1 1 61 61 LEU H H 61 7.812 7.812 7.899 -0.087 17950 7111 1 20 . 1 1 62 62 TRP N N 62 120.635 120.635 121.729 -1.094 17950 7112 1 20 . 1 1 62 62 TRP HA H 62 4.617 4.617 4.478 0.139 17950 7113 1 20 . 1 1 62 62 TRP C C 62 176.752 176.752 178.559 -1.807 17950 7114 1 20 . 1 1 62 62 TRP CA C 62 57.262 57.262 59.101 -1.839 17950 7115 1 20 . 1 1 62 62 TRP CB C 62 29.579 29.579 28.761 0.818 17950 7116 1 20 . 1 1 62 62 TRP H H 62 7.851 7.851 7.896 -0.045 17950 7117 1 20 . 1 1 63 63 GLY N N 63 110.695 110.695 106.283 4.412 17950 7118 1 20 . 1 1 63 63 GLY C C 63 173.238 173.238 175.190 -1.952 17950 7119 1 20 . 1 1 63 63 GLY CA C 63 45.357 45.357 45.487 -0.130 17950 7120 1 20 . 1 1 63 63 GLY H H 63 8.132 8.132 8.252 -0.120 17950 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 60 2.936 -0.124 2.958 17950 2 1 1 "Average Difference" HA 67 0.358 0.140 0.332 17950 3 1 1 "Average Difference" C 60 1.053 -0.086 1.058 17950 4 1 1 "Average Difference" CA 62 1.130 0.089 1.136 17950 5 1 1 "Average Difference" CB 57 1.011 -0.070 1.018 17950 6 1 1 "Average Difference" HN 60 0.656 -0.014 0.661 17950 7 1 2 "Average Difference" N 60 2.733 -0.586 2.692 17950 8 1 2 "Average Difference" HA 67 0.394 0.156 0.365 17950 9 1 2 "Average Difference" C 60 0.946 -0.042 0.953 17950 10 1 2 "Average Difference" CA 62 1.008 0.063 1.014 17950 11 1 2 "Average Difference" CB 57 0.965 -0.159 0.960 17950 12 1 2 "Average Difference" HN 60 0.641 -0.005 0.646 17950 13 1 3 "Average Difference" N 60 2.704 -0.360 2.703 17950 14 1 3 "Average Difference" HA 67 0.415 0.141 0.393 17950 15 1 3 "Average Difference" C 60 0.985 -0.103 0.988 17950 16 1 3 "Average Difference" CA 62 1.069 0.076 1.075 17950 17 1 3 "Average Difference" CB 57 1.004 -0.077 1.010 17950 18 1 3 "Average Difference" HN 60 0.624 -0.000 0.629 17950 19 1 4 "Average Difference" N 60 2.802 -0.362 2.802 17950 20 1 4 "Average Difference" HA 67 0.366 0.162 0.330 17950 21 1 4 "Average Difference" C 60 0.981 -0.099 0.984 17950 22 1 4 "Average Difference" CA 62 1.040 0.053 1.047 17950 23 1 4 "Average Difference" CB 57 0.981 -0.223 0.964 17950 24 1 4 "Average Difference" HN 60 0.657 -0.015 0.663 17950 25 1 5 "Average Difference" N 60 2.757 -0.570 2.720 17950 26 1 5 "Average Difference" HA 67 0.374 0.171 0.336 17950 27 1 5 "Average Difference" C 60 1.011 -0.169 1.005 17950 28 1 5 "Average Difference" CA 62 1.095 0.045 1.103 17950 29 1 5 "Average Difference" CB 57 1.040 -0.163 1.036 17950 30 1 5 "Average Difference" HN 60 0.620 0.027 0.625 17950 31 1 6 "Average Difference" N 60 2.573 -0.310 2.576 17950 32 1 6 "Average Difference" HA 67 0.387 0.152 0.359 17950 33 1 6 "Average Difference" C 60 1.002 -0.057 1.009 17950 34 1 6 "Average Difference" CA 62 1.088 0.125 1.090 17950 35 1 6 "Average Difference" CB 57 0.950 -0.044 0.958 17950 36 1 6 "Average Difference" HN 60 0.621 -0.019 0.626 17950 37 1 7 "Average Difference" N 60 2.728 -0.288 2.736 17950 38 1 7 "Average Difference" HA 67 0.286 0.118 0.263 17950 39 1 7 "Average Difference" C 60 0.986 -0.210 0.971 17950 40 1 7 "Average Difference" CA 62 1.107 -0.010 1.116 17950 41 1 7 "Average Difference" CB 57 0.988 -0.059 0.995 17950 42 1 7 "Average Difference" HN 60 0.663 -0.023 0.668 17950 43 1 8 "Average Difference" N 60 3.003 -0.153 3.025 17950 44 1 8 "Average Difference" HA 67 0.390 0.177 0.350 17950 45 1 8 "Average Difference" C 60 0.958 -0.043 0.965 17950 46 1 8 "Average Difference" CA 62 1.083 0.080 1.089 17950 47 1 8 "Average Difference" CB 57 0.926 -0.102 0.928 17950 48 1 8 "Average Difference" HN 60 0.716 -0.011 0.722 17950 49 1 9 "Average Difference" N 60 2.959 -0.162 2.979 17950 50 1 9 "Average Difference" HA 67 0.348 0.173 0.305 17950 51 1 9 "Average Difference" C 60 0.852 -0.145 0.847 17950 52 1 9 "Average Difference" CA 62 0.977 0.010 0.985 17950 53 1 9 "Average Difference" CB 57 1.039 -0.125 1.040 17950 54 1 9 "Average Difference" HN 60 0.698 0.052 0.702 17950 55 1 10 "Average Difference" N 60 2.423 -0.266 2.429 17950 56 1 10 "Average Difference" HA 67 0.389 0.125 0.372 17950 57 1 10 "Average Difference" C 60 0.987 -0.110 0.989 17950 58 1 10 "Average Difference" CA 62 1.041 0.056 1.048 17950 59 1 10 "Average Difference" CB 57 1.014 -0.128 1.014 17950 60 1 10 "Average Difference" HN 60 0.578 -0.001 0.583 17950 61 1 11 "Average Difference" N 60 2.560 -0.395 2.550 17950 62 1 11 "Average Difference" HA 67 0.370 0.205 0.310 17950 63 1 11 "Average Difference" C 60 0.934 -0.139 0.932 17950 64 1 11 "Average Difference" CA 62 0.997 0.011 1.005 17950 65 1 11 "Average Difference" CB 57 0.967 -0.102 0.971 17950 66 1 11 "Average Difference" HN 60 0.558 0.022 0.563 17950 67 1 12 "Average Difference" N 60 2.653 -0.398 2.645 17950 68 1 12 "Average Difference" HA 67 0.368 0.163 0.332 17950 69 1 12 "Average Difference" C 60 1.111 -0.079 1.117 17950 70 1 12 "Average Difference" CA 62 1.127 0.104 1.132 17950 71 1 12 "Average Difference" CB 57 0.966 -0.073 0.972 17950 72 1 12 "Average Difference" HN 60 0.622 -0.023 0.627 17950 73 1 13 "Average Difference" N 60 2.454 -0.222 2.465 17950 74 1 13 "Average Difference" HA 67 0.351 0.187 0.299 17950 75 1 13 "Average Difference" C 60 1.042 -0.168 1.037 17950 76 1 13 "Average Difference" CA 62 1.139 0.092 1.144 17950 77 1 13 "Average Difference" CB 57 1.029 -0.066 1.036 17950 78 1 13 "Average Difference" HN 60 0.590 -0.023 0.594 17950 79 1 14 "Average Difference" N 60 2.744 -0.289 2.752 17950 80 1 14 "Average Difference" HA 67 0.294 0.105 0.276 17950 81 1 14 "Average Difference" C 60 0.988 -0.256 0.962 17950 82 1 14 "Average Difference" CA 62 1.036 0.056 1.042 17950 83 1 14 "Average Difference" CB 57 0.987 -0.170 0.980 17950 84 1 14 "Average Difference" HN 60 0.587 -0.018 0.592 17950 85 1 15 "Average Difference" N 60 2.827 -0.225 2.842 17950 86 1 15 "Average Difference" HA 67 0.414 0.181 0.375 17950 87 1 15 "Average Difference" C 60 1.001 -0.138 1.000 17950 88 1 15 "Average Difference" CA 62 1.012 -0.050 1.019 17950 89 1 15 "Average Difference" CB 57 1.015 -0.026 1.024 17950 90 1 15 "Average Difference" HN 60 0.699 -0.003 0.705 17950 91 1 16 "Average Difference" N 60 2.651 -0.348 2.651 17950 92 1 16 "Average Difference" HA 67 0.372 0.182 0.327 17950 93 1 16 "Average Difference" C 60 1.033 -0.158 1.029 17950 94 1 16 "Average Difference" CA 62 1.097 0.124 1.099 17950 95 1 16 "Average Difference" CB 57 1.045 -0.081 1.051 17950 96 1 16 "Average Difference" HN 60 0.606 -0.011 0.611 17950 97 1 17 "Average Difference" N 60 2.715 -0.616 2.666 17950 98 1 17 "Average Difference" HA 67 0.413 0.137 0.393 17950 99 1 17 "Average Difference" C 60 0.908 -0.100 0.910 17950 100 1 17 "Average Difference" CA 62 1.031 0.067 1.037 17950 101 1 17 "Average Difference" CB 57 1.022 -0.090 1.027 17950 102 1 17 "Average Difference" HN 60 0.646 -0.015 0.652 17950 103 1 18 "Average Difference" N 60 2.607 0.022 2.629 17950 104 1 18 "Average Difference" HA 67 0.361 0.158 0.328 17950 105 1 18 "Average Difference" C 60 1.025 -0.170 1.019 17950 106 1 18 "Average Difference" CA 62 1.101 -0.071 1.108 17950 107 1 18 "Average Difference" CB 57 0.932 -0.114 0.933 17950 108 1 18 "Average Difference" HN 60 0.608 -0.051 0.611 17950 109 1 19 "Average Difference" N 60 2.759 -0.232 2.772 17950 110 1 19 "Average Difference" HA 67 0.387 0.174 0.348 17950 111 1 19 "Average Difference" C 60 1.073 -0.133 1.074 17950 112 1 19 "Average Difference" CA 62 1.053 0.036 1.061 17950 113 1 19 "Average Difference" CB 57 0.946 -0.141 0.943 17950 114 1 19 "Average Difference" HN 60 0.692 -0.003 0.698 17950 115 1 20 "Average Difference" N 60 2.877 -0.493 2.859 17950 116 1 20 "Average Difference" HA 67 0.383 0.170 0.346 17950 117 1 20 "Average Difference" C 60 1.136 -0.134 1.137 17950 118 1 20 "Average Difference" CA 62 0.959 -0.009 0.966 17950 119 1 20 "Average Difference" CB 57 1.135 -0.071 1.143 17950 120 1 20 "Average Difference" HN 60 0.683 0.020 0.688 17950 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 17950 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 GLY N N 2 110.542 110.542 110.282 0.260 17950 2 1 . 1 1 2 2 GLY C C 2 173.237 173.237 172.782 0.455 17950 3 1 . 1 1 2 2 GLY CA C 2 44.918 44.918 45.077 -0.159 17950 4 1 . 1 1 2 2 GLY H H 2 8.335 8.335 8.698 -0.363 17950 5 1 . 1 1 3 3 ALA N N 3 124.917 124.917 123.423 1.494 17950 6 1 . 1 1 3 3 ALA HA H 3 4.513 4.513 4.793 -0.280 17950 7 1 . 1 1 3 3 ALA CA C 3 50.370 50.370 51.186 -0.816 17950 8 1 . 1 1 3 3 ALA CB C 3 18.052 18.052 19.934 -1.882 17950 9 1 . 1 1 3 3 ALA H H 3 8.069 8.069 8.282 -0.213 17950 10 1 . 1 1 4 4 PRO HA H 4 4.341 4.341 4.412 -0.071 17950 11 1 . 1 1 4 4 PRO C C 4 177.068 177.068 176.504 0.564 17950 12 1 . 1 1 4 4 PRO CA C 4 63.007 63.007 63.441 -0.434 17950 13 1 . 1 1 4 4 PRO CB C 4 32.015 32.015 31.910 0.105 17950 14 1 . 1 1 5 5 LYS N N 5 121.494 121.494 118.968 2.526 17950 15 1 . 1 1 5 5 LYS HA H 5 4.180 4.180 4.291 -0.111 17950 16 1 . 1 1 5 5 LYS C C 5 176.697 176.697 176.186 0.511 17950 17 1 . 1 1 5 5 LYS CA C 5 56.140 56.140 56.311 -0.171 17950 18 1 . 1 1 5 5 LYS CB C 5 32.871 32.871 31.578 1.293 17950 19 1 . 1 1 5 5 LYS H H 5 8.376 8.376 8.177 0.199 17950 20 1 . 1 1 6 6 GLN N N 6 121.572 121.572 120.407 1.165 17950 21 1 . 1 1 6 6 GLN HA H 6 4.230 4.230 4.321 -0.091 17950 22 1 . 1 1 6 6 GLN C C 6 176.847 176.847 175.676 1.171 17950 23 1 . 1 1 6 6 GLN CA C 6 55.634 55.634 56.088 -0.454 17950 24 1 . 1 1 6 6 GLN CB C 6 29.290 29.290 29.708 -0.418 17950 25 1 . 1 1 6 6 GLN H H 6 8.438 8.438 8.227 0.211 17950 26 1 . 1 1 7 7 LYS N N 7 125.757 125.757 120.034 5.723 17950 27 1 . 1 1 7 7 LYS HA H 7 4.259 4.259 4.229 0.030 17950 28 1 . 1 1 7 7 LYS C C 7 176.770 176.770 175.479 1.291 17950 29 1 . 1 1 7 7 LYS CA C 7 56.899 56.899 56.506 0.393 17950 30 1 . 1 1 7 7 LYS CB C 7 32.782 32.782 32.754 0.028 17950 31 1 . 1 1 7 7 LYS H H 7 8.500 8.500 8.210 0.290 17950 32 1 . 1 1 8 8 TRP N N 8 125.581 125.581 119.413 6.168 17950 33 1 . 1 1 8 8 TRP HA H 8 4.504 4.504 4.802 -0.298 17950 34 1 . 1 1 8 8 TRP C C 8 177.459 177.459 175.666 1.793 17950 35 1 . 1 1 8 8 TRP CA C 8 57.777 57.777 56.264 1.513 17950 36 1 . 1 1 8 8 TRP CB C 8 28.836 28.836 30.637 -1.801 17950 37 1 . 1 1 8 8 TRP H H 8 8.959 8.959 7.583 1.376 17950 38 1 . 1 1 9 9 THR N N 9 115.986 115.986 111.772 4.214 17950 39 1 . 1 1 9 9 THR HA H 9 4.759 4.759 4.903 -0.144 17950 40 1 . 1 1 9 9 THR CA C 9 59.565 59.565 59.053 0.512 17950 41 1 . 1 1 9 9 THR CB C 9 68.786 68.786 70.229 -1.443 17950 42 1 . 1 1 9 9 THR H H 9 9.105 9.105 8.377 0.728 17950 43 1 . 1 1 10 10 PRO HA H 10 4.369 4.369 4.533 -0.164 17950 44 1 . 1 1 10 10 PRO C C 10 180.115 180.115 178.747 1.368 17950 45 1 . 1 1 10 10 PRO CA C 10 65.387 65.387 64.910 0.477 17950 46 1 . 1 1 10 10 PRO CB C 10 31.739 31.739 32.176 -0.437 17950 47 1 . 1 1 11 11 GLU N N 11 118.329 118.329 118.862 -0.533 17950 48 1 . 1 1 11 11 GLU HA H 11 4.065 4.065 4.052 0.013 17950 49 1 . 1 1 11 11 GLU C C 11 180.122 180.122 178.901 1.221 17950 50 1 . 1 1 11 11 GLU CA C 11 60.640 60.640 60.196 0.443 17950 51 1 . 1 1 11 11 GLU CB C 11 28.680 28.680 29.324 -0.644 17950 52 1 . 1 1 11 11 GLU H H 11 9.009 9.009 9.070 -0.061 17950 53 1 . 1 1 12 12 GLU N N 12 121.178 121.178 118.392 2.786 17950 54 1 . 1 1 12 12 GLU HA H 12 3.857 3.857 4.050 -0.193 17950 55 1 . 1 1 12 12 GLU C C 12 179.021 179.021 178.962 0.059 17950 56 1 . 1 1 12 12 GLU CA C 12 59.900 59.900 59.333 0.567 17950 57 1 . 1 1 12 12 GLU CB C 12 32.276 32.276 29.358 2.918 17950 58 1 . 1 1 12 12 GLU H H 12 7.952 7.952 7.938 0.014 17950 59 1 . 1 1 13 13 GLU N N 13 118.771 118.771 120.074 -1.303 17950 60 1 . 1 1 13 13 GLU HA H 13 3.928 3.928 3.977 -0.049 17950 61 1 . 1 1 13 13 GLU C C 13 178.499 178.499 178.901 -0.402 17950 62 1 . 1 1 13 13 GLU CA C 13 61.052 61.052 59.307 1.745 17950 63 1 . 1 1 13 13 GLU CB C 13 29.552 29.552 29.454 0.097 17950 64 1 . 1 1 13 13 GLU H H 13 8.446 8.446 7.559 0.887 17950 65 1 . 1 1 14 14 ALA N N 14 120.274 120.274 121.106 -0.832 17950 66 1 . 1 1 14 14 ALA HA H 14 4.095 4.095 4.071 0.024 17950 67 1 . 1 1 14 14 ALA C C 14 180.719 180.719 179.585 1.134 17950 68 1 . 1 1 14 14 ALA CA C 14 55.053 55.053 54.967 0.086 17950 69 1 . 1 1 14 14 ALA CB C 14 18.019 18.019 18.178 -0.159 17950 70 1 . 1 1 14 14 ALA H H 14 8.434 8.434 8.229 0.205 17950 71 1 . 1 1 15 15 ALA N N 15 122.356 122.356 121.430 0.926 17950 72 1 . 1 1 15 15 ALA HA H 15 4.381 4.381 3.817 0.564 17950 73 1 . 1 1 15 15 ALA C C 15 178.553 178.553 179.105 -0.552 17950 74 1 . 1 1 15 15 ALA CA C 15 54.786 54.786 54.644 0.142 17950 75 1 . 1 1 15 15 ALA CB C 15 18.779 18.779 18.317 0.462 17950 76 1 . 1 1 15 15 ALA H H 15 7.900 7.900 7.826 0.074 17950 77 1 . 1 1 16 16 LEU N N 16 118.626 118.626 119.841 -1.215 17950 78 1 . 1 1 16 16 LEU HA H 16 3.921 3.921 3.857 0.064 17950 79 1 . 1 1 16 16 LEU C C 16 177.536 177.536 178.505 -0.969 17950 80 1 . 1 1 16 16 LEU CA C 16 58.384 58.384 58.211 0.173 17950 81 1 . 1 1 16 16 LEU CB C 16 42.189 42.189 42.005 0.184 17950 82 1 . 1 1 16 16 LEU H H 16 8.182 8.182 7.983 0.199 17950 83 1 . 1 1 17 17 LYS N N 17 117.009 117.009 118.841 -1.832 17950 84 1 . 1 1 17 17 LYS HA H 17 3.906 3.906 3.847 0.059 17950 85 1 . 1 1 17 17 LYS C C 17 178.796 178.796 178.805 -0.009 17950 86 1 . 1 1 17 17 LYS CA C 17 60.496 60.496 59.593 0.903 17950 87 1 . 1 1 17 17 LYS CB C 17 32.720 32.720 31.821 0.899 17950 88 1 . 1 1 17 17 LYS H H 17 8.029 8.029 7.933 0.096 17950 89 1 . 1 1 18 18 ALA N N 18 121.422 121.422 120.589 0.833 17950 90 1 . 1 1 18 18 ALA HA H 18 4.021 4.021 4.065 -0.044 17950 91 1 . 1 1 18 18 ALA C C 18 180.627 180.627 179.733 0.894 17950 92 1 . 1 1 18 18 ALA CA C 18 54.752 54.752 54.966 -0.214 17950 93 1 . 1 1 18 18 ALA CB C 18 18.405 18.405 18.017 0.388 17950 94 1 . 1 1 18 18 ALA H H 18 8.174 8.174 7.865 0.309 17950 95 1 . 1 1 19 19 GLY N N 19 110.862 110.862 106.617 4.245 17950 96 1 . 1 1 19 19 GLY C C 19 174.803 174.803 176.103 -1.300 17950 97 1 . 1 1 19 19 GLY CA C 19 47.190 47.190 46.805 0.385 17950 98 1 . 1 1 19 19 GLY H H 19 8.503 8.503 7.443 1.060 17950 99 1 . 1 1 20 20 VAL N N 20 123.677 123.677 122.706 0.971 17950 100 1 . 1 1 20 20 VAL HA H 20 3.166 3.166 3.813 -0.647 17950 101 1 . 1 1 20 20 VAL C C 20 179.632 179.632 177.581 2.051 17950 102 1 . 1 1 20 20 VAL CA C 20 65.603 65.603 65.901 -0.298 17950 103 1 . 1 1 20 20 VAL CB C 20 30.946 30.946 31.806 -0.860 17950 104 1 . 1 1 20 20 VAL H H 20 8.106 8.106 7.626 0.480 17950 105 1 . 1 1 21 21 LEU N N 21 122.348 122.348 118.368 3.980 17950 106 1 . 1 1 21 21 LEU HA H 21 3.894 3.894 4.059 -0.165 17950 107 1 . 1 1 21 21 LEU C C 21 178.085 178.085 178.548 -0.463 17950 108 1 . 1 1 21 21 LEU CA C 21 58.028 58.028 57.254 0.774 17950 109 1 . 1 1 21 21 LEU CB C 21 41.401 41.401 41.936 -0.535 17950 110 1 . 1 1 21 21 LEU H H 21 7.817 7.817 7.681 0.136 17950 111 1 . 1 1 22 22 LYS N N 22 117.663 117.663 118.200 -0.537 17950 112 1 . 1 1 22 22 LYS HA H 22 3.837 3.837 4.019 -0.182 17950 113 1 . 1 1 22 22 LYS C C 22 177.740 177.740 178.250 -0.510 17950 114 1 . 1 1 22 22 LYS CA C 22 59.206 59.206 58.747 0.459 17950 115 1 . 1 1 22 22 LYS CB C 22 35.176 35.176 32.373 2.803 17950 116 1 . 1 1 22 22 LYS H H 22 7.520 7.520 7.841 -0.321 17950 117 1 . 1 1 23 23 HIS N N 23 113.904 113.904 113.834 0.070 17950 118 1 . 1 1 23 23 HIS HA H 23 4.625 4.625 4.649 -0.024 17950 119 1 . 1 1 23 23 HIS C C 23 176.122 176.122 175.314 0.808 17950 120 1 . 1 1 23 23 HIS CA C 23 57.211 57.211 56.463 0.748 17950 121 1 . 1 1 23 23 HIS CB C 23 33.414 33.414 32.808 0.606 17950 122 1 . 1 1 23 23 HIS H H 23 8.311 8.311 7.743 0.568 17950 123 1 . 1 1 24 24 GLY N N 24 110.098 110.098 106.622 3.476 17950 124 1 . 1 1 24 24 GLY C C 24 173.041 173.041 172.479 0.562 17950 125 1 . 1 1 24 24 GLY CA C 24 43.563 43.563 44.968 -1.404 17950 126 1 . 1 1 24 24 GLY H H 24 8.158 8.158 7.572 0.586 17950 127 1 . 1 1 25 25 THR N N 25 108.590 108.590 113.248 -4.658 17950 128 1 . 1 1 25 25 THR HA H 25 3.123 3.123 4.112 -0.989 17950 129 1 . 1 1 25 25 THR C C 25 174.866 174.866 175.252 -0.386 17950 130 1 . 1 1 25 25 THR CA C 25 61.992 61.992 62.492 -0.500 17950 131 1 . 1 1 25 25 THR CB C 25 69.110 69.110 69.168 -0.058 17950 132 1 . 1 1 25 25 THR H H 25 7.826 7.826 8.275 -0.449 17950 133 1 . 1 1 26 26 GLY N N 26 106.794 106.794 112.013 -5.219 17950 134 1 . 1 1 26 26 GLY C C 26 173.988 173.988 174.265 -0.277 17950 135 1 . 1 1 26 26 GLY CA C 26 45.639 45.639 44.983 0.656 17950 136 1 . 1 1 26 26 GLY H H 26 5.553 5.553 7.925 -2.372 17950 137 1 . 1 1 27 27 LYS N N 27 122.617 122.617 121.584 1.033 17950 138 1 . 1 1 27 27 LYS HA H 27 4.499 4.499 4.233 0.266 17950 139 1 . 1 1 27 27 LYS C C 27 176.586 176.586 176.400 0.186 17950 140 1 . 1 1 27 27 LYS CA C 27 53.590 53.590 54.538 -0.948 17950 141 1 . 1 1 27 27 LYS CB C 27 30.298 30.298 30.342 -0.044 17950 142 1 . 1 1 27 27 LYS H H 27 7.025 7.025 7.571 -0.546 17950 143 1 . 1 1 28 28 TRP N N 28 119.816 119.816 121.473 -1.657 17950 144 1 . 1 1 28 28 TRP HA H 28 4.130 4.130 4.188 -0.058 17950 145 1 . 1 1 28 28 TRP C C 28 178.012 178.012 177.677 0.335 17950 146 1 . 1 1 28 28 TRP CA C 28 58.414 58.414 60.251 -1.837 17950 147 1 . 1 1 28 28 TRP CB C 28 30.008 30.008 28.463 1.545 17950 148 1 . 1 1 28 28 TRP H H 28 6.384 6.384 7.374 -0.990 17950 149 1 . 1 1 29 29 ARG N N 29 115.616 115.616 119.443 -3.827 17950 150 1 . 1 1 29 29 ARG HA H 29 3.963 3.963 4.094 -0.131 17950 151 1 . 1 1 29 29 ARG C C 29 178.821 178.821 178.074 0.747 17950 152 1 . 1 1 29 29 ARG CA C 29 59.381 59.381 59.480 -0.099 17950 153 1 . 1 1 29 29 ARG CB C 29 29.366 29.366 29.336 0.030 17950 154 1 . 1 1 29 29 ARG H H 29 8.465 8.465 7.989 0.476 17950 155 1 . 1 1 30 30 THR N N 30 118.439 118.439 116.428 2.011 17950 156 1 . 1 1 30 30 THR HA H 30 3.594 3.594 3.988 -0.394 17950 157 1 . 1 1 30 30 THR C C 30 176.351 176.351 176.765 -0.414 17950 158 1 . 1 1 30 30 THR CA C 30 66.347 66.347 66.405 -0.058 17950 159 1 . 1 1 30 30 THR CB C 30 68.157 68.157 68.365 -0.208 17950 160 1 . 1 1 30 30 THR H H 30 7.451 7.451 7.673 -0.222 17950 161 1 . 1 1 31 31 ILE N N 31 121.530 121.530 121.259 0.271 17950 162 1 . 1 1 31 31 ILE HA H 31 3.403 3.403 3.789 -0.386 17950 163 1 . 1 1 31 31 ILE C C 31 176.326 176.326 177.399 -1.073 17950 164 1 . 1 1 31 31 ILE CA C 31 66.885 66.885 65.326 1.559 17950 165 1 . 1 1 31 31 ILE CB C 31 38.320 38.320 37.813 0.507 17950 166 1 . 1 1 31 31 ILE H H 31 7.551 7.551 8.224 -0.673 17950 167 1 . 1 1 32 32 LEU N N 32 113.721 113.721 118.261 -4.540 17950 168 1 . 1 1 32 32 LEU HA H 32 3.871 3.871 4.196 -0.325 17950 169 1 . 1 1 32 32 LEU C C 32 177.633 177.633 177.942 -0.309 17950 170 1 . 1 1 32 32 LEU CA C 32 56.846 56.846 56.647 0.199 17950 171 1 . 1 1 32 32 LEU CB C 32 42.246 42.246 42.255 -0.010 17950 172 1 . 1 1 32 32 LEU H H 32 7.317 7.317 7.851 -0.534 17950 173 1 . 1 1 33 33 SER N N 33 110.515 110.515 112.100 -1.585 17950 174 1 . 1 1 33 33 SER HA H 33 4.442 4.442 4.339 0.103 17950 175 1 . 1 1 33 33 SER C C 33 173.479 173.479 174.317 -0.838 17950 176 1 . 1 1 33 33 SER CA C 33 58.210 58.210 59.513 -1.303 17950 177 1 . 1 1 33 33 SER CB C 33 64.194 64.194 63.772 0.422 17950 178 1 . 1 1 33 33 SER H H 33 7.389 7.389 7.623 -0.234 17950 179 1 . 1 1 34 34 ASP N N 34 125.920 125.920 122.173 3.747 17950 180 1 . 1 1 34 34 ASP HA H 34 4.617 4.617 4.653 -0.036 17950 181 1 . 1 1 34 34 ASP C C 34 178.020 178.020 177.354 0.666 17950 182 1 . 1 1 34 34 ASP CA C 34 53.652 53.652 54.153 -0.501 17950 183 1 . 1 1 34 34 ASP CB C 34 42.056 42.056 41.470 0.586 17950 184 1 . 1 1 34 34 ASP H H 34 7.426 7.426 7.890 -0.464 17950 185 1 . 1 1 35 35 THR N N 35 122.180 122.180 122.845 -0.665 17950 186 1 . 1 1 35 35 THR HA H 35 4.223 4.223 3.992 0.231 17950 187 1 . 1 1 35 35 THR C C 35 175.997 175.997 176.117 -0.120 17950 188 1 . 1 1 35 35 THR CA C 35 64.686 64.686 65.795 -1.109 17950 189 1 . 1 1 35 35 THR CB C 35 68.728 68.728 68.777 -0.049 17950 190 1 . 1 1 35 35 THR H H 35 8.689 8.689 8.617 0.072 17950 191 1 . 1 1 36 36 GLU N N 36 122.403 122.403 121.137 1.266 17950 192 1 . 1 1 36 36 GLU HA H 36 3.698 3.698 3.942 -0.244 17950 193 1 . 1 1 36 36 GLU C C 36 177.497 177.497 176.684 0.813 17950 194 1 . 1 1 36 36 GLU CA C 36 59.317 59.317 58.459 0.858 17950 195 1 . 1 1 36 36 GLU CB C 36 29.107 29.107 29.451 -0.344 17950 196 1 . 1 1 36 36 GLU H H 36 8.818 8.818 8.042 0.776 17950 197 1 . 1 1 37 37 PHE N N 37 114.348 114.348 114.967 -0.619 17950 198 1 . 1 1 37 37 PHE HA H 37 4.857 4.857 4.827 0.030 17950 199 1 . 1 1 37 37 PHE C C 37 177.191 177.191 174.898 2.293 17950 200 1 . 1 1 37 37 PHE CA C 37 56.463 56.463 56.569 -0.106 17950 201 1 . 1 1 37 37 PHE CB C 37 41.086 41.086 39.646 1.440 17950 202 1 . 1 1 37 37 PHE H H 37 7.477 7.477 7.831 -0.354 17950 203 1 . 1 1 38 38 SER N N 38 114.722 114.722 116.895 -2.173 17950 204 1 . 1 1 38 38 SER HA H 38 3.822 3.822 4.524 -0.702 17950 205 1 . 1 1 38 38 SER C C 38 176.516 176.516 175.680 0.836 17950 206 1 . 1 1 38 38 SER CA C 38 61.996 61.996 60.115 1.881 17950 207 1 . 1 1 38 38 SER CB C 38 62.761 62.761 63.940 -1.179 17950 208 1 . 1 1 38 38 SER H H 38 8.546 8.546 7.676 0.870 17950 209 1 . 1 1 39 39 LEU N N 39 121.277 121.277 120.708 0.569 17950 210 1 . 1 1 39 39 LEU HA H 39 4.213 4.213 4.143 0.070 17950 211 1 . 1 1 39 39 LEU C C 39 179.777 179.777 179.107 0.670 17950 212 1 . 1 1 39 39 LEU CA C 39 57.171 57.171 57.608 -0.437 17950 213 1 . 1 1 39 39 LEU CB C 39 41.340 41.340 42.080 -0.740 17950 214 1 . 1 1 39 39 LEU H H 39 8.115 8.115 7.510 0.605 17950 215 1 . 1 1 40 40 ILE N N 40 120.137 120.137 116.654 3.483 17950 216 1 . 1 1 40 40 ILE HA H 40 3.701 3.701 3.994 -0.293 17950 217 1 . 1 1 40 40 ILE C C 40 178.413 178.413 176.519 1.894 17950 218 1 . 1 1 40 40 ILE CA C 40 63.624 63.624 63.329 0.295 17950 219 1 . 1 1 40 40 ILE CB C 40 38.778 38.778 37.929 0.849 17950 220 1 . 1 1 40 40 ILE H H 40 7.525 7.525 8.040 -0.515 17950 221 1 . 1 1 41 41 LEU N N 41 117.023 117.023 116.151 0.872 17950 222 1 . 1 1 41 41 LEU HA H 41 4.406 4.406 4.698 -0.292 17950 223 1 . 1 1 41 41 LEU C C 41 176.196 176.196 176.381 -0.185 17950 224 1 . 1 1 41 41 LEU CA C 41 54.256 54.256 53.348 0.908 17950 225 1 . 1 1 41 41 LEU CB C 41 41.891 41.891 41.158 0.733 17950 226 1 . 1 1 41 41 LEU H H 41 7.608 7.608 7.562 0.046 17950 227 1 . 1 1 42 42 LYS N N 42 116.369 116.369 118.672 -2.303 17950 228 1 . 1 1 42 42 LYS HA H 42 4.050 4.050 4.187 -0.137 17950 229 1 . 1 1 42 42 LYS C C 42 177.139 177.139 177.461 -0.322 17950 230 1 . 1 1 42 42 LYS CA C 42 59.111 59.111 58.074 1.037 17950 231 1 . 1 1 42 42 LYS CB C 42 32.553 32.553 32.245 0.308 17950 232 1 . 1 1 42 42 LYS H H 42 6.645 6.645 7.416 -0.771 17950 233 1 . 1 1 43 43 SER N N 43 115.061 115.061 113.987 1.074 17950 234 1 . 1 1 43 43 SER HA H 43 4.407 4.407 4.333 0.074 17950 235 1 . 1 1 43 43 SER C C 43 173.754 173.754 174.584 -0.830 17950 236 1 . 1 1 43 43 SER CA C 43 58.850 58.850 59.893 -1.043 17950 237 1 . 1 1 43 43 SER CB C 43 63.117 63.117 63.439 -0.322 17950 238 1 . 1 1 43 43 SER H H 43 8.443 8.443 8.495 -0.053 17950 239 1 . 1 1 44 44 ARG N N 44 119.658 119.658 119.425 0.233 17950 240 1 . 1 1 44 44 ARG HA H 44 4.674 4.674 4.580 0.095 17950 241 1 . 1 1 44 44 ARG C C 44 174.410 174.410 174.548 -0.138 17950 242 1 . 1 1 44 44 ARG CA C 44 52.244 52.244 54.688 -2.444 17950 243 1 . 1 1 44 44 ARG CB C 44 31.309 31.309 32.098 -0.789 17950 244 1 . 1 1 44 44 ARG H H 44 8.036 8.036 7.658 0.378 17950 245 1 . 1 1 45 45 SER N N 45 116.676 116.676 113.601 3.075 17950 246 1 . 1 1 45 45 SER HA H 45 4.764 4.764 4.749 0.015 17950 247 1 . 1 1 45 45 SER C C 45 175.294 175.294 175.357 -0.063 17950 248 1 . 1 1 45 45 SER CA C 45 55.857 55.857 56.539 -0.682 17950 249 1 . 1 1 45 45 SER CB C 45 66.828 66.828 65.748 1.080 17950 250 1 . 1 1 45 45 SER H H 45 9.180 9.180 8.302 0.878 17950 251 1 . 1 1 46 46 ASN N N 46 118.004 118.004 120.273 -2.269 17950 252 1 . 1 1 46 46 ASN HA H 46 3.954 3.954 4.448 -0.494 17950 253 1 . 1 1 46 46 ASN C C 46 176.356 176.356 177.027 -0.671 17950 254 1 . 1 1 46 46 ASN CA C 46 57.734 57.734 56.190 1.543 17950 255 1 . 1 1 46 46 ASN CB C 46 36.901 36.901 37.831 -0.930 17950 256 1 . 1 1 46 46 ASN H H 46 9.005 9.005 8.796 0.209 17950 257 1 . 1 1 47 47 VAL N N 47 119.294 119.294 119.224 0.070 17950 258 1 . 1 1 47 47 VAL HA H 47 3.422 3.422 3.578 -0.156 17950 259 1 . 1 1 47 47 VAL C C 47 176.899 176.899 177.543 -0.644 17950 260 1 . 1 1 47 47 VAL CA C 47 65.439 65.439 65.754 -0.315 17950 261 1 . 1 1 47 47 VAL CB C 47 31.863 31.863 31.423 0.440 17950 262 1 . 1 1 47 47 VAL H H 47 7.329 7.329 7.984 -0.655 17950 263 1 . 1 1 48 48 ASP N N 48 120.297 120.297 119.911 0.386 17950 264 1 . 1 1 48 48 ASP HA H 48 4.358 4.358 4.457 -0.099 17950 265 1 . 1 1 48 48 ASP C C 48 179.879 179.879 178.683 1.196 17950 266 1 . 1 1 48 48 ASP CA C 48 57.162 57.162 57.378 -0.216 17950 267 1 . 1 1 48 48 ASP CB C 48 41.040 41.040 40.738 0.302 17950 268 1 . 1 1 48 48 ASP H H 48 7.597 7.597 7.780 -0.183 17950 269 1 . 1 1 49 49 LEU N N 49 119.624 119.624 120.078 -0.454 17950 270 1 . 1 1 49 49 LEU HA H 49 3.824 3.824 4.042 -0.218 17950 271 1 . 1 1 49 49 LEU C C 49 176.207 176.207 178.658 -2.451 17950 272 1 . 1 1 49 49 LEU CA C 49 59.202 59.202 58.125 1.077 17950 273 1 . 1 1 49 49 LEU CB C 49 41.113 41.113 41.487 -0.374 17950 274 1 . 1 1 49 49 LEU H H 49 7.835 7.835 7.543 0.292 17950 275 1 . 1 1 50 50 LYS N N 50 119.306 119.306 118.160 1.146 17950 276 1 . 1 1 50 50 LYS HA H 50 2.427 2.427 3.509 -1.082 17950 277 1 . 1 1 50 50 LYS C C 50 178.745 178.745 178.528 0.217 17950 278 1 . 1 1 50 50 LYS CA C 50 59.310 59.310 59.097 0.213 17950 279 1 . 1 1 50 50 LYS CB C 50 31.906 31.906 31.472 0.434 17950 280 1 . 1 1 50 50 LYS H H 50 6.788 6.788 7.714 -0.926 17950 281 1 . 1 1 51 51 ASP N N 51 118.721 118.721 120.516 -1.795 17950 282 1 . 1 1 51 51 ASP HA H 51 4.167 4.167 4.366 -0.199 17950 283 1 . 1 1 51 51 ASP C C 51 178.461 178.461 178.380 0.081 17950 284 1 . 1 1 51 51 ASP CA C 51 56.852 56.852 57.238 -0.386 17950 285 1 . 1 1 51 51 ASP CB C 51 40.475 40.475 40.781 -0.306 17950 286 1 . 1 1 51 51 ASP H H 51 8.203 8.203 7.841 0.362 17950 287 1 . 1 1 52 52 LYS N N 52 121.009 121.009 119.581 1.428 17950 288 1 . 1 1 52 52 LYS HA H 52 3.776 3.776 4.005 -0.229 17950 289 1 . 1 1 52 52 LYS C C 52 178.328 178.328 178.886 -0.558 17950 290 1 . 1 1 52 52 LYS CA C 52 56.841 56.841 59.342 -2.501 17950 291 1 . 1 1 52 52 LYS CB C 52 31.473 31.473 32.213 -0.740 17950 292 1 . 1 1 52 52 LYS H H 52 7.842 7.842 8.103 -0.261 17950 293 1 . 1 1 53 53 TRP N N 53 119.577 119.577 120.445 -0.868 17950 294 1 . 1 1 53 53 TRP HA H 53 4.121 4.121 4.283 -0.162 17950 295 1 . 1 1 53 53 TRP C C 53 178.056 178.056 178.229 -0.173 17950 296 1 . 1 1 53 53 TRP CA C 53 59.505 59.505 60.335 -0.830 17950 297 1 . 1 1 53 53 TRP CB C 53 30.004 30.004 29.626 0.378 17950 298 1 . 1 1 53 53 TRP H H 53 8.469 8.469 7.868 0.601 17950 299 1 . 1 1 54 54 ARG N N 54 117.607 117.607 119.606 -1.999 17950 300 1 . 1 1 54 54 ARG HA H 54 3.721 3.721 3.819 -0.098 17950 301 1 . 1 1 54 54 ARG C C 54 177.399 177.399 178.179 -0.780 17950 302 1 . 1 1 54 54 ARG CA C 54 59.030 59.030 59.475 -0.445 17950 303 1 . 1 1 54 54 ARG CB C 54 29.401 29.401 29.940 -0.539 17950 304 1 . 1 1 54 54 ARG H H 54 7.527 7.527 8.081 -0.554 17950 305 1 . 1 1 55 55 ASN N N 55 115.552 115.552 117.831 -2.279 17950 306 1 . 1 1 55 55 ASN HA H 55 4.387 4.387 4.481 -0.095 17950 307 1 . 1 1 55 55 ASN C C 55 176.869 176.869 177.687 -0.818 17950 308 1 . 1 1 55 55 ASN CA C 55 55.320 55.320 55.995 -0.675 17950 309 1 . 1 1 55 55 ASN CB C 55 39.679 39.679 38.404 1.275 17950 310 1 . 1 1 55 55 ASN H H 55 7.242 7.242 7.979 -0.737 17950 311 1 . 1 1 56 56 ILE N N 56 117.285 117.285 117.485 -0.200 17950 312 1 . 1 1 56 56 ILE HA H 56 3.768 3.768 3.896 -0.128 17950 313 1 . 1 1 56 56 ILE C C 56 176.781 176.781 176.316 0.465 17950 314 1 . 1 1 56 56 ILE CA C 56 62.932 62.932 63.471 -0.539 17950 315 1 . 1 1 56 56 ILE CB C 56 38.341 38.341 38.090 0.251 17950 316 1 . 1 1 56 56 ILE H H 56 7.760 7.760 7.563 0.197 17950 317 1 . 1 1 57 57 SER N N 57 116.184 116.184 114.088 2.096 17950 318 1 . 1 1 57 57 SER HA H 57 3.676 3.676 4.163 -0.487 17950 319 1 . 1 1 57 57 SER C C 57 174.964 174.964 176.282 -1.318 17950 320 1 . 1 1 57 57 SER CA C 57 59.435 59.435 60.161 -0.726 17950 321 1 . 1 1 57 57 SER CB C 57 63.062 63.062 63.397 -0.335 17950 322 1 . 1 1 57 57 SER H H 57 7.635 7.635 7.245 0.390 17950 323 1 . 1 1 58 58 VAL N N 58 119.671 119.671 121.169 -1.498 17950 324 1 . 1 1 58 58 VAL HA H 58 3.959 3.959 3.838 0.121 17950 325 1 . 1 1 58 58 VAL C C 58 176.787 176.787 176.253 0.534 17950 326 1 . 1 1 58 58 VAL CA C 58 63.249 63.249 64.936 -1.687 17950 327 1 . 1 1 58 58 VAL CB C 58 31.964 31.964 32.125 -0.161 17950 328 1 . 1 1 58 58 VAL H H 58 7.454 7.454 7.845 -0.391 17950 329 1 . 1 1 59 59 THR N N 59 114.912 114.912 113.114 1.798 17950 330 1 . 1 1 59 59 THR HA H 59 3.924 3.924 4.476 -0.552 17950 331 1 . 1 1 59 59 THR C C 59 174.839 174.839 173.551 1.288 17950 332 1 . 1 1 59 59 THR CA C 59 62.616 62.616 60.911 1.705 17950 333 1 . 1 1 59 59 THR CB C 59 69.358 69.358 68.132 1.226 17950 334 1 . 1 1 59 59 THR H H 59 7.681 7.681 7.624 0.057 17950 335 1 . 1 1 60 60 ALA N N 60 124.969 124.969 128.352 -3.383 17950 336 1 . 1 1 60 60 ALA HA H 60 4.094 4.094 4.532 -0.438 17950 337 1 . 1 1 60 60 ALA C C 60 177.636 177.636 177.719 -0.083 17950 338 1 . 1 1 60 60 ALA CA C 60 52.909 52.909 53.416 -0.507 17950 339 1 . 1 1 60 60 ALA CB C 60 18.757 18.757 19.721 -0.964 17950 340 1 . 1 1 60 60 ALA H H 60 7.939 7.939 8.157 -0.218 17950 341 1 . 1 1 61 61 LEU N N 61 119.572 119.572 114.492 5.080 17950 342 1 . 1 1 61 61 LEU HA H 61 4.150 4.150 4.594 -0.444 17950 343 1 . 1 1 61 61 LEU C C 61 177.260 177.260 177.238 0.022 17950 344 1 . 1 1 61 61 LEU CA C 61 55.183 55.183 54.656 0.527 17950 345 1 . 1 1 61 61 LEU CB C 61 41.901 41.901 41.838 0.063 17950 346 1 . 1 1 61 61 LEU H H 61 7.812 7.812 7.802 0.010 17950 347 1 . 1 1 62 62 TRP N N 62 120.635 120.635 121.762 -1.127 17950 348 1 . 1 1 62 62 TRP HA H 62 4.617 4.617 4.470 0.147 17950 349 1 . 1 1 62 62 TRP C C 62 176.752 176.752 177.332 -0.580 17950 350 1 . 1 1 62 62 TRP CA C 62 57.262 57.262 58.589 -1.327 17950 351 1 . 1 1 62 62 TRP CB C 62 29.579 29.579 29.028 0.551 17950 352 1 . 1 1 62 62 TRP H H 62 7.851 7.851 7.907 -0.056 17950 353 1 . 1 1 63 63 GLY N N 63 110.695 110.695 110.673 0.022 17950 354 1 . 1 1 63 63 GLY C C 63 173.238 173.238 174.512 -1.274 17950 355 1 . 1 1 63 63 GLY CA C 63 45.357 45.357 44.896 0.461 17950 356 1 . 1 1 63 63 GLY H H 63 8.132 8.132 8.315 -0.183 17950 stop_ save_