data_25919 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25919 _Entry.PDB_ID 2N9X 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 25919 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 PRO HA H 2 4.424 4.424 4.644 -0.220 25919 2 1 1 . 1 1 2 2 PRO C C 2 176.917 176.917 177.239 -0.322 25919 3 1 1 . 1 1 2 2 PRO CA C 2 63.418 63.418 64.470 -1.052 25919 4 1 1 . 1 1 2 2 PRO CB C 2 32.160 32.160 31.975 0.185 25919 5 1 1 . 1 1 3 3 SER N N 3 116.273 116.273 112.348 3.925 25919 6 1 1 . 1 1 3 3 SER HA H 3 4.389 4.389 4.265 0.124 25919 7 1 1 . 1 1 3 3 SER C C 3 174.762 174.762 175.191 -0.429 25919 8 1 1 . 1 1 3 3 SER CA C 3 58.472 58.472 58.952 -0.480 25919 9 1 1 . 1 1 3 3 SER CB C 3 63.913 63.913 63.449 0.464 25919 10 1 1 . 1 1 3 3 SER H H 3 8.366 8.366 7.828 0.538 25919 11 1 1 . 1 1 4 4 GLU N N 4 123.959 123.959 121.520 2.439 25919 12 1 1 . 1 1 4 4 GLU HA H 4 4.289 4.289 4.380 -0.091 25919 13 1 1 . 1 1 4 4 GLU C C 4 176.545 176.545 175.858 0.687 25919 14 1 1 . 1 1 4 4 GLU CA C 4 56.785 56.785 56.356 0.429 25919 15 1 1 . 1 1 4 4 GLU CB C 4 30.200 30.200 30.631 -0.431 25919 16 1 1 . 1 1 4 4 GLU H H 4 8.513 8.513 8.151 0.362 25919 17 1 1 . 1 1 5 5 LYS N N 5 122.165 122.165 119.916 2.249 25919 18 1 1 . 1 1 5 5 LYS HA H 5 4.508 4.508 4.278 0.230 25919 19 1 1 . 1 1 5 5 LYS C C 5 177.178 177.178 176.709 0.469 25919 20 1 1 . 1 1 5 5 LYS CA C 5 56.000 56.000 55.818 0.182 25919 21 1 1 . 1 1 5 5 LYS CB C 5 34.758 34.758 32.225 2.533 25919 22 1 1 . 1 1 5 5 LYS H H 5 8.198 8.198 8.441 -0.243 25919 23 1 1 . 1 1 6 6 THR N N 6 115.586 115.586 114.714 0.872 25919 24 1 1 . 1 1 6 6 THR HA H 6 4.426 4.426 4.362 0.064 25919 25 1 1 . 1 1 6 6 THR C C 6 175.570 175.570 176.687 -1.117 25919 26 1 1 . 1 1 6 6 THR CA C 6 61.120 61.120 63.632 -2.512 25919 27 1 1 . 1 1 6 6 THR CB C 6 69.871 69.871 69.156 0.715 25919 28 1 1 . 1 1 6 6 THR H H 6 8.423 8.423 8.104 0.319 25919 29 1 1 . 1 1 7 7 PHE N N 7 126.100 126.100 128.058 -1.958 25919 30 1 1 . 1 1 7 7 PHE HA H 7 3.935 3.935 3.945 -0.010 25919 31 1 1 . 1 1 7 7 PHE CA C 7 63.687 63.687 61.781 1.906 25919 32 1 1 . 1 1 7 7 PHE CB C 7 39.656 39.656 39.447 0.209 25919 33 1 1 . 1 1 7 7 PHE H H 7 10.276 10.276 9.219 1.057 25919 34 1 1 . 1 1 8 8 LYS N N 8 115.026 115.026 117.622 -2.596 25919 35 1 1 . 1 1 8 8 LYS HA H 8 3.800 3.800 3.796 0.004 25919 36 1 1 . 1 1 8 8 LYS CA C 8 59.944 59.944 58.077 1.867 25919 37 1 1 . 1 1 8 8 LYS CB C 8 33.852 33.852 32.021 1.831 25919 38 1 1 . 1 1 8 8 LYS H H 8 8.707 8.707 8.106 0.601 25919 39 1 1 . 1 1 9 9 GLN N N 9 113.774 113.774 116.475 -2.701 25919 40 1 1 . 1 1 9 9 GLN HA H 9 4.178 4.178 4.102 0.076 25919 41 1 1 . 1 1 9 9 GLN C C 9 173.193 173.193 177.718 -4.525 25919 42 1 1 . 1 1 9 9 GLN CA C 9 56.741 56.741 58.105 -1.364 25919 43 1 1 . 1 1 9 9 GLN CB C 9 30.065 30.065 29.048 1.017 25919 44 1 1 . 1 1 9 9 GLN H H 9 7.343 7.343 7.990 -0.647 25919 45 1 1 . 1 1 10 10 ARG N N 10 119.156 119.156 116.924 2.232 25919 46 1 1 . 1 1 10 10 ARG HA H 10 4.248 4.248 4.404 -0.156 25919 47 1 1 . 1 1 10 10 ARG CA C 10 57.555 57.555 56.856 0.699 25919 48 1 1 . 1 1 10 10 ARG CB C 10 31.771 31.771 31.662 0.109 25919 49 1 1 . 1 1 10 10 ARG H H 10 7.912 7.912 7.716 0.196 25919 50 1 1 . 1 1 11 11 ARG N N 11 120.777 120.777 119.632 1.145 25919 51 1 1 . 1 1 11 11 ARG HA H 11 4.685 4.685 4.892 -0.207 25919 52 1 1 . 1 1 11 11 ARG CA C 11 53.161 53.161 55.301 -2.140 25919 53 1 1 . 1 1 11 11 ARG CB C 11 32.773 32.773 33.828 -1.055 25919 54 1 1 . 1 1 11 11 ARG H H 11 7.341 7.341 7.855 -0.514 25919 55 1 1 . 1 1 12 12 THR N N 12 116.696 116.696 117.854 -1.158 25919 56 1 1 . 1 1 12 12 THR HA H 12 4.358 4.358 4.568 -0.210 25919 57 1 1 . 1 1 12 12 THR C C 12 175.056 175.056 175.489 -0.433 25919 58 1 1 . 1 1 12 12 THR CA C 12 61.795 61.795 60.097 1.698 25919 59 1 1 . 1 1 12 12 THR CB C 12 71.050 71.050 70.474 0.576 25919 60 1 1 . 1 1 12 12 THR H H 12 8.855 8.855 8.865 -0.010 25919 61 1 1 . 1 1 13 13 PHE N N 13 123.894 123.894 123.224 0.670 25919 62 1 1 . 1 1 13 13 PHE HA H 13 4.043 4.043 4.111 -0.068 25919 63 1 1 . 1 1 13 13 PHE C C 13 176.234 176.234 177.051 -0.817 25919 64 1 1 . 1 1 13 13 PHE CA C 13 62.947 62.947 62.508 0.439 25919 65 1 1 . 1 1 13 13 PHE CB C 13 39.571 39.571 39.522 0.049 25919 66 1 1 . 1 1 13 13 PHE H H 13 9.221 9.221 8.759 0.462 25919 67 1 1 . 1 1 14 14 GLU N N 14 116.516 116.516 118.143 -1.627 25919 68 1 1 . 1 1 14 14 GLU HA H 14 3.812 3.812 3.757 0.055 25919 69 1 1 . 1 1 14 14 GLU CA C 14 60.699 60.699 59.344 1.355 25919 70 1 1 . 1 1 14 14 GLU CB C 14 28.943 28.943 29.150 -0.207 25919 71 1 1 . 1 1 14 14 GLU H H 14 9.002 9.002 8.951 0.051 25919 72 1 1 . 1 1 15 15 GLN N N 15 119.291 119.291 118.016 1.275 25919 73 1 1 . 1 1 15 15 GLN HA H 15 4.024 4.024 4.099 -0.075 25919 74 1 1 . 1 1 15 15 GLN C C 15 175.263 175.263 178.805 -3.542 25919 75 1 1 . 1 1 15 15 GLN CA C 15 58.800 58.800 58.651 0.149 25919 76 1 1 . 1 1 15 15 GLN CB C 15 29.300 29.300 28.686 0.614 25919 77 1 1 . 1 1 15 15 GLN H H 15 7.706 7.706 7.942 -0.236 25919 78 1 1 . 1 1 16 16 ARG N N 16 122.883 122.883 120.282 2.601 25919 79 1 1 . 1 1 16 16 ARG HA H 16 4.235 4.235 4.177 0.058 25919 80 1 1 . 1 1 16 16 ARG CA C 16 61.660 61.660 59.666 1.994 25919 81 1 1 . 1 1 16 16 ARG CB C 16 30.877 30.877 30.200 0.677 25919 82 1 1 . 1 1 16 16 ARG H H 16 8.567 8.567 8.071 0.496 25919 83 1 1 . 1 1 17 17 VAL N N 17 118.523 118.523 120.469 -1.946 25919 84 1 1 . 1 1 17 17 VAL HA H 17 3.865 3.865 3.676 0.189 25919 85 1 1 . 1 1 17 17 VAL C C 17 174.213 174.213 178.112 -3.899 25919 86 1 1 . 1 1 17 17 VAL CA C 17 65.550 65.550 65.979 -0.429 25919 87 1 1 . 1 1 17 17 VAL CB C 17 32.171 32.171 30.918 1.253 25919 88 1 1 . 1 1 17 17 VAL H H 17 8.430 8.430 8.020 0.410 25919 89 1 1 . 1 1 18 18 GLU N N 18 120.170 120.170 120.679 -0.509 25919 90 1 1 . 1 1 18 18 GLU HA H 18 4.212 4.212 3.911 0.301 25919 91 1 1 . 1 1 18 18 GLU C C 18 175.758 175.758 178.855 -3.097 25919 92 1 1 . 1 1 18 18 GLU CA C 18 58.488 58.488 59.912 -1.424 25919 93 1 1 . 1 1 18 18 GLU CB C 18 29.360 29.360 29.248 0.112 25919 94 1 1 . 1 1 18 18 GLU H H 18 7.423 7.423 8.108 -0.685 25919 95 1 1 . 1 1 19 19 ASP N N 19 121.273 121.273 120.691 0.582 25919 96 1 1 . 1 1 19 19 ASP HA H 19 4.384 4.384 4.401 -0.017 25919 97 1 1 . 1 1 19 19 ASP C C 19 177.016 177.016 178.934 -1.918 25919 98 1 1 . 1 1 19 19 ASP CA C 19 56.900 56.900 57.391 -0.491 25919 99 1 1 . 1 1 19 19 ASP CB C 19 41.884 41.884 40.349 1.536 25919 100 1 1 . 1 1 19 19 ASP H H 19 7.955 7.955 8.187 -0.232 25919 101 1 1 . 1 1 20 20 VAL N N 20 119.523 119.523 120.214 -0.691 25919 102 1 1 . 1 1 20 20 VAL HA H 20 3.232 3.232 3.619 -0.387 25919 103 1 1 . 1 1 20 20 VAL C C 20 173.876 173.876 177.767 -3.891 25919 104 1 1 . 1 1 20 20 VAL CA C 20 66.128 66.128 67.194 -1.066 25919 105 1 1 . 1 1 20 20 VAL CB C 20 31.099 31.099 31.735 -0.636 25919 106 1 1 . 1 1 20 20 VAL H H 20 7.818 7.818 8.185 -0.367 25919 107 1 1 . 1 1 21 21 ARG N N 21 120.310 120.310 120.351 -0.041 25919 108 1 1 . 1 1 21 21 ARG HA H 21 3.803 3.803 4.029 -0.226 25919 109 1 1 . 1 1 21 21 ARG CA C 21 59.934 59.934 58.627 1.307 25919 110 1 1 . 1 1 21 21 ARG CB C 21 30.076 30.076 29.614 0.462 25919 111 1 1 . 1 1 21 21 ARG H H 21 8.037 8.037 7.907 0.130 25919 112 1 1 . 1 1 22 22 LEU N N 22 118.660 118.660 120.406 -1.746 25919 113 1 1 . 1 1 22 22 LEU HA H 22 4.094 4.094 4.031 0.063 25919 114 1 1 . 1 1 22 22 LEU C C 22 177.626 177.626 179.205 -1.579 25919 115 1 1 . 1 1 22 22 LEU CA C 22 57.738 57.738 58.883 -1.145 25919 116 1 1 . 1 1 22 22 LEU CB C 22 42.222 42.222 41.818 0.404 25919 117 1 1 . 1 1 22 22 LEU H H 22 8.050 8.050 8.318 -0.268 25919 118 1 1 . 1 1 23 23 ILE N N 23 122.825 122.825 120.055 2.770 25919 119 1 1 . 1 1 23 23 ILE HA H 23 4.122 4.122 3.706 0.416 25919 120 1 1 . 1 1 23 23 ILE C C 23 176.226 176.226 177.431 -1.205 25919 121 1 1 . 1 1 23 23 ILE CA C 23 61.243 61.243 63.712 -2.469 25919 122 1 1 . 1 1 23 23 ILE CB C 23 38.268 38.268 37.504 0.764 25919 123 1 1 . 1 1 23 23 ILE H H 23 8.390 8.390 8.446 -0.056 25919 124 1 1 . 1 1 24 24 ARG N N 24 122.365 122.365 119.645 2.720 25919 125 1 1 . 1 1 24 24 ARG HA H 24 4.017 4.017 4.093 -0.076 25919 126 1 1 . 1 1 24 24 ARG CA C 24 57.684 57.684 58.313 -0.629 25919 127 1 1 . 1 1 24 24 ARG CB C 24 28.817 28.817 29.579 -0.762 25919 128 1 1 . 1 1 24 24 ARG H H 24 8.540 8.540 8.397 0.143 25919 129 1 1 . 1 1 25 25 GLU N N 25 118.383 118.383 119.233 -0.850 25919 130 1 1 . 1 1 25 25 GLU HA H 25 4.044 4.044 4.146 -0.102 25919 131 1 1 . 1 1 25 25 GLU CA C 25 58.680 58.680 58.407 0.273 25919 132 1 1 . 1 1 25 25 GLU CB C 25 29.850 29.850 29.594 0.256 25919 133 1 1 . 1 1 25 25 GLU H H 25 7.287 7.287 7.858 -0.571 25919 134 1 1 . 1 1 26 26 GLN N N 26 117.165 117.165 117.518 -0.353 25919 135 1 1 . 1 1 26 26 GLN HA H 26 3.948 3.948 4.115 -0.167 25919 136 1 1 . 1 1 26 26 GLN C C 26 176.221 176.221 176.928 -0.707 25919 137 1 1 . 1 1 26 26 GLN CA C 26 57.638 57.638 57.252 0.386 25919 138 1 1 . 1 1 26 26 GLN CB C 26 30.320 30.320 29.758 0.562 25919 139 1 1 . 1 1 26 26 GLN H H 26 7.423 7.423 7.859 -0.436 25919 140 1 1 . 1 1 27 27 HIS N N 27 117.140 117.140 117.977 -0.837 25919 141 1 1 . 1 1 27 27 HIS HA H 27 4.866 4.866 5.082 -0.216 25919 142 1 1 . 1 1 27 27 HIS CA C 27 53.305 53.305 52.551 0.754 25919 143 1 1 . 1 1 27 27 HIS CB C 27 30.917 30.917 29.600 1.317 25919 144 1 1 . 1 1 27 27 HIS H H 27 8.254 8.254 8.366 -0.112 25919 145 1 1 . 1 1 28 28 PRO HA H 28 4.609 4.609 4.377 0.232 25919 146 1 1 . 1 1 28 28 PRO CA C 28 64.881 64.881 64.477 0.404 25919 147 1 1 . 1 1 28 28 PRO CB C 28 32.554 32.554 31.869 0.685 25919 148 1 1 . 1 1 29 29 THR N N 29 107.339 107.339 106.845 0.494 25919 149 1 1 . 1 1 29 29 THR HA H 29 4.644 4.644 4.094 0.550 25919 150 1 1 . 1 1 29 29 THR C C 29 172.933 172.933 174.097 -1.164 25919 151 1 1 . 1 1 29 29 THR CA C 29 60.600 60.600 63.378 -2.778 25919 152 1 1 . 1 1 29 29 THR CB C 29 68.520 68.520 68.940 -0.420 25919 153 1 1 . 1 1 29 29 THR H H 29 7.764 7.764 8.226 -0.462 25919 154 1 1 . 1 1 30 30 LYS N N 30 118.273 118.273 121.187 -2.914 25919 155 1 1 . 1 1 30 30 LYS HA H 30 4.926 4.926 4.910 0.016 25919 156 1 1 . 1 1 30 30 LYS C C 30 175.010 175.010 175.245 -0.235 25919 157 1 1 . 1 1 30 30 LYS CA C 30 53.740 53.740 55.005 -1.265 25919 158 1 1 . 1 1 30 30 LYS CB C 30 36.445 36.445 34.874 1.571 25919 159 1 1 . 1 1 30 30 LYS H H 30 7.478 7.478 7.730 -0.252 25919 160 1 1 . 1 1 31 31 ILE N N 31 123.498 123.498 122.770 0.728 25919 161 1 1 . 1 1 31 31 ILE HA H 31 4.139 4.139 4.234 -0.095 25919 162 1 1 . 1 1 31 31 ILE CA C 31 54.669 54.669 56.153 -1.484 25919 163 1 1 . 1 1 31 31 ILE CB C 31 38.427 38.427 37.700 0.726 25919 164 1 1 . 1 1 31 31 ILE H H 31 9.235 9.235 8.857 0.378 25919 165 1 1 . 1 1 32 32 PRO HA H 32 5.212 5.212 4.672 0.540 25919 166 1 1 . 1 1 32 32 PRO C C 32 174.832 174.832 175.806 -0.974 25919 167 1 1 . 1 1 32 32 PRO CA C 32 61.678 61.678 62.494 -0.816 25919 168 1 1 . 1 1 32 32 PRO CB C 32 30.993 30.993 31.322 -0.329 25919 169 1 1 . 1 1 33 33 VAL N N 33 124.964 124.964 124.304 0.660 25919 170 1 1 . 1 1 33 33 VAL HA H 33 5.234 5.234 4.953 0.281 25919 171 1 1 . 1 1 33 33 VAL CA C 33 59.611 59.611 60.293 -0.682 25919 172 1 1 . 1 1 33 33 VAL CB C 33 35.711 35.711 35.780 -0.069 25919 173 1 1 . 1 1 33 33 VAL H H 33 9.289 9.289 8.615 0.674 25919 174 1 1 . 1 1 34 34 ILE N N 34 127.908 127.908 124.963 2.945 25919 175 1 1 . 1 1 34 34 ILE HA H 34 4.742 4.742 4.262 0.480 25919 176 1 1 . 1 1 34 34 ILE CA C 34 56.330 56.330 59.790 -3.460 25919 177 1 1 . 1 1 34 34 ILE CB C 34 36.629 36.629 40.374 -3.745 25919 178 1 1 . 1 1 34 34 ILE H H 34 8.594 8.594 8.860 -0.266 25919 179 1 1 . 1 1 35 35 ILE N N 35 125.405 125.405 126.242 -0.837 25919 180 1 1 . 1 1 35 35 ILE HA H 35 4.879 4.879 5.348 -0.469 25919 181 1 1 . 1 1 35 35 ILE C C 35 176.126 176.126 173.635 2.491 25919 182 1 1 . 1 1 35 35 ILE CA C 35 60.923 60.923 58.825 2.098 25919 183 1 1 . 1 1 35 35 ILE CB C 35 38.968 38.968 41.428 -2.460 25919 184 1 1 . 1 1 35 35 ILE H H 35 8.545 8.545 8.432 0.113 25919 185 1 1 . 1 1 36 36 GLU N N 36 124.153 124.153 127.250 -3.097 25919 186 1 1 . 1 1 36 36 GLU HA H 36 4.789 4.789 4.885 -0.096 25919 187 1 1 . 1 1 36 36 GLU C C 36 173.645 173.645 174.422 -0.777 25919 188 1 1 . 1 1 36 36 GLU CA C 36 54.282 54.282 54.710 -0.428 25919 189 1 1 . 1 1 36 36 GLU CB C 36 35.401 35.401 34.142 1.259 25919 190 1 1 . 1 1 36 36 GLU H H 36 8.363 8.363 8.650 -0.287 25919 191 1 1 . 1 1 37 37 ARG N N 37 123.957 123.957 127.748 -3.791 25919 192 1 1 . 1 1 37 37 ARG HA H 37 2.804 2.804 3.507 -0.703 25919 193 1 1 . 1 1 37 37 ARG C C 37 176.456 176.456 176.085 0.371 25919 194 1 1 . 1 1 37 37 ARG CA C 37 56.120 56.120 56.574 -0.454 25919 195 1 1 . 1 1 37 37 ARG CB C 37 31.500 31.500 30.442 1.058 25919 196 1 1 . 1 1 37 37 ARG H H 37 8.853 8.853 8.708 0.145 25919 197 1 1 . 1 1 38 38 TYR N N 38 129.636 129.636 128.007 1.629 25919 198 1 1 . 1 1 38 38 TYR HA H 38 4.311 4.311 4.344 -0.033 25919 199 1 1 . 1 1 38 38 TYR CA C 38 57.907 57.907 58.565 -0.658 25919 200 1 1 . 1 1 38 38 TYR CB C 38 39.567 39.567 39.053 0.513 25919 201 1 1 . 1 1 38 38 TYR H H 38 8.663 8.663 8.569 0.094 25919 202 1 1 . 1 1 39 39 LYS N N 39 130.772 130.772 128.565 2.207 25919 203 1 1 . 1 1 39 39 LYS HA H 39 3.848 3.848 3.916 -0.068 25919 204 1 1 . 1 1 39 39 LYS CA C 39 58.986 58.986 58.234 0.751 25919 205 1 1 . 1 1 39 39 LYS CB C 39 31.777 31.777 32.105 -0.328 25919 206 1 1 . 1 1 39 39 LYS H H 39 8.389 8.389 8.517 -0.128 25919 207 1 1 . 1 1 40 40 GLY N N 40 106.013 106.013 104.025 1.988 25919 208 1 1 . 1 1 40 40 GLY C C 40 173.407 173.407 173.941 -0.534 25919 209 1 1 . 1 1 40 40 GLY CA C 40 44.796 44.796 44.756 0.040 25919 210 1 1 . 1 1 40 40 GLY H H 40 5.643 5.643 6.962 -1.319 25919 211 1 1 . 1 1 41 41 GLU N N 41 123.519 123.519 119.102 4.417 25919 212 1 1 . 1 1 41 41 GLU HA H 41 4.265 4.265 4.295 -0.030 25919 213 1 1 . 1 1 41 41 GLU C C 41 176.231 176.231 175.689 0.542 25919 214 1 1 . 1 1 41 41 GLU CA C 41 56.365 56.365 55.640 0.725 25919 215 1 1 . 1 1 41 41 GLU CB C 41 31.077 31.077 29.736 1.341 25919 216 1 1 . 1 1 41 41 GLU H H 41 7.464 7.464 6.821 0.643 25919 217 1 1 . 1 1 42 42 LYS N N 42 124.405 124.405 126.871 -2.466 25919 218 1 1 . 1 1 42 42 LYS HA H 42 4.669 4.669 4.202 0.467 25919 219 1 1 . 1 1 42 42 LYS C C 42 177.170 177.170 176.447 0.723 25919 220 1 1 . 1 1 42 42 LYS CA C 42 55.750 55.750 56.397 -0.647 25919 221 1 1 . 1 1 42 42 LYS CB C 42 34.929 34.929 30.677 4.252 25919 222 1 1 . 1 1 42 42 LYS H H 42 8.895 8.895 8.418 0.477 25919 223 1 1 . 1 1 43 43 GLN N N 43 119.903 119.903 119.128 0.775 25919 224 1 1 . 1 1 43 43 GLN HA H 43 4.541 4.541 4.092 0.449 25919 225 1 1 . 1 1 43 43 GLN C C 43 177.260 177.260 176.709 0.551 25919 226 1 1 . 1 1 43 43 GLN CA C 43 57.566 57.566 57.098 0.468 25919 227 1 1 . 1 1 43 43 GLN CB C 43 30.620 30.620 29.206 1.414 25919 228 1 1 . 1 1 43 43 GLN H H 43 8.459 8.459 7.693 0.766 25919 229 1 1 . 1 1 44 44 LEU N N 44 121.272 121.272 121.250 0.022 25919 230 1 1 . 1 1 44 44 LEU HA H 44 4.726 4.726 4.467 0.259 25919 231 1 1 . 1 1 44 44 LEU CA C 44 53.165 53.165 53.222 -0.057 25919 232 1 1 . 1 1 44 44 LEU CB C 44 43.444 43.444 41.592 1.852 25919 233 1 1 . 1 1 44 44 LEU H H 44 9.002 9.002 8.186 0.816 25919 234 1 1 . 1 1 45 45 PRO HA H 45 4.722 4.722 4.516 0.206 25919 235 1 1 . 1 1 45 45 PRO CA C 45 62.169 62.169 62.159 0.010 25919 236 1 1 . 1 1 45 45 PRO CB C 45 32.722 32.722 32.229 0.493 25919 237 1 1 . 1 1 46 46 VAL N N 46 118.403 118.403 117.891 0.512 25919 238 1 1 . 1 1 46 46 VAL HA H 46 4.009 4.009 4.307 -0.298 25919 239 1 1 . 1 1 46 46 VAL C C 46 173.416 173.416 175.450 -2.034 25919 240 1 1 . 1 1 46 46 VAL CA C 46 62.413 62.413 62.544 -0.131 25919 241 1 1 . 1 1 46 46 VAL CB C 46 33.087 33.087 29.960 3.127 25919 242 1 1 . 1 1 46 46 VAL H H 46 8.349 8.349 8.579 -0.230 25919 243 1 1 . 1 1 47 47 LEU N N 47 128.653 128.653 125.583 3.070 25919 244 1 1 . 1 1 47 47 LEU HA H 47 4.452 4.452 4.326 0.126 25919 245 1 1 . 1 1 47 47 LEU CA C 47 54.758 54.758 53.933 0.825 25919 246 1 1 . 1 1 47 47 LEU CB C 47 44.076 44.076 39.733 4.343 25919 247 1 1 . 1 1 47 47 LEU H H 47 8.064 8.064 7.649 0.415 25919 248 1 1 . 1 1 48 48 ASP N N 48 121.042 121.042 123.982 -2.940 25919 249 1 1 . 1 1 48 48 ASP HA H 48 4.347 4.347 4.591 -0.244 25919 250 1 1 . 1 1 48 48 ASP CA C 48 55.600 55.600 54.647 0.953 25919 251 1 1 . 1 1 48 48 ASP CB C 48 40.407 40.407 39.821 0.587 25919 252 1 1 . 1 1 48 48 ASP H H 48 8.649 8.649 8.207 0.442 25919 253 1 1 . 1 1 49 49 LYS N N 49 118.877 118.877 124.241 -5.364 25919 254 1 1 . 1 1 49 49 LYS HA H 49 4.541 4.541 4.084 0.457 25919 255 1 1 . 1 1 49 49 LYS C C 49 179.744 179.744 178.006 1.738 25919 256 1 1 . 1 1 49 49 LYS CA C 49 54.099 54.099 58.178 -4.079 25919 257 1 1 . 1 1 49 49 LYS CB C 49 35.378 35.378 32.178 3.200 25919 258 1 1 . 1 1 49 49 LYS H H 49 7.287 7.287 8.313 -1.026 25919 259 1 1 . 1 1 50 50 THR N N 50 114.691 114.691 107.476 7.215 25919 260 1 1 . 1 1 50 50 THR HA H 50 4.628 4.628 3.683 0.945 25919 261 1 1 . 1 1 50 50 THR CA C 50 63.920 63.920 64.471 -0.551 25919 262 1 1 . 1 1 50 50 THR CB C 50 71.365 71.365 67.290 4.075 25919 263 1 1 . 1 1 50 50 THR H H 50 8.064 8.064 8.491 -0.427 25919 264 1 1 . 1 1 51 51 LYS N N 51 120.273 120.273 119.710 0.563 25919 265 1 1 . 1 1 51 51 LYS HA H 51 4.570 4.570 4.426 0.144 25919 266 1 1 . 1 1 51 51 LYS CA C 51 54.997 54.997 54.892 0.105 25919 267 1 1 . 1 1 51 51 LYS CB C 51 32.700 32.700 36.007 -3.307 25919 268 1 1 . 1 1 51 51 LYS H H 51 7.192 7.192 7.556 -0.364 25919 269 1 1 . 1 1 52 52 PHE N N 52 121.816 121.816 114.727 7.089 25919 270 1 1 . 1 1 52 52 PHE HA H 52 5.503 5.503 4.870 0.633 25919 271 1 1 . 1 1 52 52 PHE CA C 52 56.104 56.104 56.644 -0.540 25919 272 1 1 . 1 1 52 52 PHE CB C 52 43.188 43.188 40.855 2.333 25919 273 1 1 . 1 1 52 52 PHE H H 52 9.466 9.466 8.669 0.797 25919 274 1 1 . 1 1 53 53 LEU N N 53 120.846 120.846 122.909 -2.063 25919 275 1 1 . 1 1 53 53 LEU HA H 53 5.135 5.135 5.062 0.073 25919 276 1 1 . 1 1 53 53 LEU C C 53 175.042 175.042 175.829 -0.787 25919 277 1 1 . 1 1 53 53 LEU CA C 53 52.916 52.916 54.135 -1.219 25919 278 1 1 . 1 1 53 53 LEU CB C 53 45.242 45.242 42.143 3.099 25919 279 1 1 . 1 1 53 53 LEU H H 53 8.608 8.608 8.441 0.167 25919 280 1 1 . 1 1 54 54 VAL N N 54 123.773 123.773 123.993 -0.220 25919 281 1 1 . 1 1 54 54 VAL HA H 54 4.755 4.755 4.280 0.475 25919 282 1 1 . 1 1 54 54 VAL CA C 54 58.622 58.622 59.193 -0.571 25919 283 1 1 . 1 1 54 54 VAL CB C 54 35.150 35.150 32.078 3.072 25919 284 1 1 . 1 1 54 54 VAL H H 54 8.801 8.801 8.464 0.337 25919 285 1 1 . 1 1 55 55 PRO HA H 55 4.435 4.435 4.486 -0.051 25919 286 1 1 . 1 1 55 55 PRO C C 55 176.427 176.427 178.074 -1.647 25919 287 1 1 . 1 1 55 55 PRO CA C 55 64.298 64.298 62.827 1.472 25919 288 1 1 . 1 1 55 55 PRO CB C 55 32.822 32.822 31.628 1.194 25919 289 1 1 . 1 1 56 56 ASP N N 56 121.214 121.214 123.620 -2.406 25919 290 1 1 . 1 1 56 56 ASP HA H 56 3.880 3.880 4.172 -0.292 25919 291 1 1 . 1 1 56 56 ASP CA C 56 56.742 56.742 57.527 -0.785 25919 292 1 1 . 1 1 56 56 ASP CB C 56 40.481 40.481 40.018 0.463 25919 293 1 1 . 1 1 56 56 ASP H H 56 8.336 8.336 8.809 -0.473 25919 294 1 1 . 1 1 57 57 HIS N N 57 114.277 114.277 114.769 -0.492 25919 295 1 1 . 1 1 57 57 HIS HA H 57 4.772 4.772 4.557 0.215 25919 296 1 1 . 1 1 57 57 HIS C C 57 174.806 174.806 174.983 -0.177 25919 297 1 1 . 1 1 57 57 HIS CA C 57 55.688 55.688 55.203 0.485 25919 298 1 1 . 1 1 57 57 HIS CB C 57 30.450 30.450 29.155 1.295 25919 299 1 1 . 1 1 57 57 HIS H H 57 7.464 7.464 8.247 -0.783 25919 300 1 1 . 1 1 58 58 VAL N N 58 123.531 123.531 123.675 -0.144 25919 301 1 1 . 1 1 58 58 VAL HA H 58 3.909 3.909 3.817 0.092 25919 302 1 1 . 1 1 58 58 VAL C C 58 177.148 177.148 175.348 1.800 25919 303 1 1 . 1 1 58 58 VAL CA C 58 62.900 62.900 63.401 -0.501 25919 304 1 1 . 1 1 58 58 VAL CB C 58 32.320 32.320 31.933 0.387 25919 305 1 1 . 1 1 58 58 VAL H H 58 7.261 7.261 7.775 -0.514 25919 306 1 1 . 1 1 59 59 ASN N N 59 124.147 124.147 125.226 -1.079 25919 307 1 1 . 1 1 59 59 ASN HA H 59 5.174 5.174 4.840 0.334 25919 308 1 1 . 1 1 59 59 ASN C C 59 175.176 175.176 176.674 -1.498 25919 309 1 1 . 1 1 59 59 ASN CA C 59 51.374 51.374 53.001 -1.627 25919 310 1 1 . 1 1 59 59 ASN CB C 59 40.038 40.038 39.384 0.654 25919 311 1 1 . 1 1 59 59 ASN H H 59 8.819 8.819 8.640 0.179 25919 312 1 1 . 1 1 60 60 MET N N 60 117.583 117.583 123.332 -5.749 25919 313 1 1 . 1 1 60 60 MET HA H 60 4.425 4.425 4.156 0.269 25919 314 1 1 . 1 1 60 60 MET CA C 60 57.271 57.271 58.386 -1.115 25919 315 1 1 . 1 1 60 60 MET CB C 60 30.063 30.063 32.639 -2.576 25919 316 1 1 . 1 1 60 60 MET H H 60 8.023 8.023 8.931 -0.908 25919 317 1 1 . 1 1 61 61 SER N N 61 115.027 115.027 114.586 0.441 25919 318 1 1 . 1 1 61 61 SER HA H 61 4.138 4.138 4.096 0.042 25919 319 1 1 . 1 1 61 61 SER C C 61 178.809 178.809 176.575 2.234 25919 320 1 1 . 1 1 61 61 SER CA C 61 61.553 61.553 61.203 0.350 25919 321 1 1 . 1 1 61 61 SER CB C 61 62.581 62.581 62.463 0.118 25919 322 1 1 . 1 1 61 61 SER H H 61 8.350 8.350 8.212 0.138 25919 323 1 1 . 1 1 62 62 GLU N N 62 123.657 123.657 122.580 1.077 25919 324 1 1 . 1 1 62 62 GLU HA H 62 3.979 3.979 4.144 -0.165 25919 325 1 1 . 1 1 62 62 GLU C C 62 176.456 176.456 178.286 -1.830 25919 326 1 1 . 1 1 62 62 GLU CA C 62 58.726 58.726 58.514 0.213 25919 327 1 1 . 1 1 62 62 GLU CB C 62 29.700 29.700 29.225 0.475 25919 328 1 1 . 1 1 62 62 GLU H H 62 7.994 7.994 7.352 0.642 25919 329 1 1 . 1 1 63 63 LEU N N 63 121.225 121.225 121.587 -0.362 25919 330 1 1 . 1 1 63 63 LEU HA H 63 3.949 3.949 3.855 0.094 25919 331 1 1 . 1 1 63 63 LEU C C 63 178.113 178.113 178.494 -0.381 25919 332 1 1 . 1 1 63 63 LEU CA C 63 57.860 57.860 58.151 -0.291 25919 333 1 1 . 1 1 63 63 LEU CB C 63 41.526 41.526 41.702 -0.176 25919 334 1 1 . 1 1 63 63 LEU H H 63 8.223 8.223 8.233 -0.010 25919 335 1 1 . 1 1 64 64 ILE N N 64 119.273 119.273 119.190 0.083 25919 336 1 1 . 1 1 64 64 ILE HA H 64 3.375 3.375 3.609 -0.234 25919 337 1 1 . 1 1 64 64 ILE CA C 64 66.723 66.723 66.101 0.622 25919 338 1 1 . 1 1 64 64 ILE CB C 64 38.161 38.161 37.631 0.530 25919 339 1 1 . 1 1 64 64 ILE H H 64 8.301 8.301 8.427 -0.126 25919 340 1 1 . 1 1 65 65 LYS N N 65 119.143 119.143 120.152 -1.009 25919 341 1 1 . 1 1 65 65 LYS HA H 65 3.703 3.703 3.852 -0.149 25919 342 1 1 . 1 1 65 65 LYS C C 65 173.869 173.869 178.647 -4.778 25919 343 1 1 . 1 1 65 65 LYS CA C 65 60.451 60.451 60.063 0.388 25919 344 1 1 . 1 1 65 65 LYS CB C 65 32.300 32.300 32.379 -0.079 25919 345 1 1 . 1 1 65 65 LYS H H 65 7.300 7.300 7.672 -0.372 25919 346 1 1 . 1 1 66 66 ILE N N 66 120.527 120.527 121.049 -0.522 25919 347 1 1 . 1 1 66 66 ILE HA H 66 3.541 3.541 3.747 -0.206 25919 348 1 1 . 1 1 66 66 ILE C C 66 176.459 176.459 177.755 -1.296 25919 349 1 1 . 1 1 66 66 ILE CA C 66 65.290 65.290 64.220 1.070 25919 350 1 1 . 1 1 66 66 ILE CB C 66 38.254 38.254 37.801 0.453 25919 351 1 1 . 1 1 66 66 ILE H H 66 8.048 8.048 7.873 0.175 25919 352 1 1 . 1 1 67 67 ILE N N 67 121.527 121.527 120.670 0.857 25919 353 1 1 . 1 1 67 67 ILE HA H 67 3.336 3.336 3.597 -0.261 25919 354 1 1 . 1 1 67 67 ILE C C 67 178.102 178.102 177.971 0.131 25919 355 1 1 . 1 1 67 67 ILE CA C 67 63.952 63.952 63.548 0.404 25919 356 1 1 . 1 1 67 67 ILE CB C 67 35.891 35.891 36.273 -0.382 25919 357 1 1 . 1 1 67 67 ILE H H 67 8.308 8.308 8.158 0.150 25919 358 1 1 . 1 1 68 68 ARG N N 68 119.384 119.384 120.550 -1.166 25919 359 1 1 . 1 1 68 68 ARG HA H 68 2.970 2.970 3.087 -0.117 25919 360 1 1 . 1 1 68 68 ARG C C 68 172.723 172.723 178.032 -5.309 25919 361 1 1 . 1 1 68 68 ARG CA C 68 60.704 60.704 59.886 0.818 25919 362 1 1 . 1 1 68 68 ARG CB C 68 30.320 30.320 29.924 0.396 25919 363 1 1 . 1 1 68 68 ARG H H 68 8.336 8.336 8.363 -0.027 25919 364 1 1 . 1 1 69 69 ARG N N 69 117.648 117.648 118.687 -1.039 25919 365 1 1 . 1 1 69 69 ARG HA H 69 4.138 4.138 4.026 0.112 25919 366 1 1 . 1 1 69 69 ARG C C 69 172.480 172.480 179.401 -6.921 25919 367 1 1 . 1 1 69 69 ARG CA C 69 58.645 58.645 58.209 0.437 25919 368 1 1 . 1 1 69 69 ARG CB C 69 29.779 29.779 29.583 0.196 25919 369 1 1 . 1 1 69 69 ARG H H 69 7.432 7.432 7.903 -0.471 25919 370 1 1 . 1 1 70 70 ARG N N 70 124.006 124.006 119.340 4.666 25919 371 1 1 . 1 1 70 70 ARG HA H 70 4.074 4.074 4.066 0.008 25919 372 1 1 . 1 1 70 70 ARG C C 70 178.799 178.799 178.678 0.121 25919 373 1 1 . 1 1 70 70 ARG CA C 70 58.385 58.385 58.111 0.274 25919 374 1 1 . 1 1 70 70 ARG CB C 70 30.043 30.043 29.850 0.193 25919 375 1 1 . 1 1 70 70 ARG H H 70 8.212 8.212 8.259 -0.047 25919 376 1 1 . 1 1 71 71 LEU N N 71 117.764 117.764 116.616 1.148 25919 377 1 1 . 1 1 71 71 LEU HA H 71 4.085 4.085 4.214 -0.129 25919 378 1 1 . 1 1 71 71 LEU CA C 71 55.063 55.063 54.614 0.449 25919 379 1 1 . 1 1 71 71 LEU CB C 71 43.100 43.100 41.506 1.594 25919 380 1 1 . 1 1 71 71 LEU H H 71 7.750 7.750 7.915 -0.165 25919 381 1 1 . 1 1 72 72 GLN N N 72 115.522 115.522 115.502 0.020 25919 382 1 1 . 1 1 72 72 GLN HA H 72 3.839 3.839 3.940 -0.101 25919 383 1 1 . 1 1 72 72 GLN C C 72 175.744 175.744 175.120 0.624 25919 384 1 1 . 1 1 72 72 GLN CA C 72 56.409 56.409 56.511 -0.102 25919 385 1 1 . 1 1 72 72 GLN CB C 72 25.959 25.959 27.204 -1.245 25919 386 1 1 . 1 1 72 72 GLN H H 72 7.751 7.751 7.433 0.318 25919 387 1 1 . 1 1 73 73 LEU N N 73 115.900 115.900 120.206 -4.306 25919 388 1 1 . 1 1 73 73 LEU HA H 73 4.254 4.254 4.443 -0.189 25919 389 1 1 . 1 1 73 73 LEU C C 73 178.568 178.568 176.092 2.476 25919 390 1 1 . 1 1 73 73 LEU CA C 73 54.468 54.468 53.783 0.684 25919 391 1 1 . 1 1 73 73 LEU CB C 73 42.050 42.050 40.835 1.215 25919 392 1 1 . 1 1 73 73 LEU H H 73 7.573 7.573 7.772 -0.199 25919 393 1 1 . 1 1 74 74 ASN N N 74 122.154 122.154 124.562 -2.408 25919 394 1 1 . 1 1 74 74 ASN HA H 74 4.684 4.684 4.550 0.134 25919 395 1 1 . 1 1 74 74 ASN C C 74 174.122 174.122 176.894 -2.772 25919 396 1 1 . 1 1 74 74 ASN CA C 74 52.724 52.724 53.311 -0.587 25919 397 1 1 . 1 1 74 74 ASN CB C 74 39.579 39.579 40.092 -0.513 25919 398 1 1 . 1 1 74 74 ASN H H 74 8.949 8.949 8.269 0.680 25919 399 1 1 . 1 1 75 75 ALA N N 75 124.274 124.274 123.792 0.482 25919 400 1 1 . 1 1 75 75 ALA HA H 75 3.972 3.972 4.046 -0.074 25919 401 1 1 . 1 1 75 75 ALA C C 75 178.113 178.113 178.370 -0.257 25919 402 1 1 . 1 1 75 75 ALA CA C 75 54.900 54.900 54.819 0.081 25919 403 1 1 . 1 1 75 75 ALA CB C 75 18.708 18.708 18.654 0.054 25919 404 1 1 . 1 1 75 75 ALA H H 75 8.690 8.690 8.598 0.092 25919 405 1 1 . 1 1 76 76 ASN N N 76 112.911 112.911 114.565 -1.654 25919 406 1 1 . 1 1 76 76 ASN HA H 76 4.589 4.589 4.623 -0.034 25919 407 1 1 . 1 1 76 76 ASN C C 76 175.515 175.515 175.381 0.134 25919 408 1 1 . 1 1 76 76 ASN CA C 76 53.276 53.276 54.002 -0.726 25919 409 1 1 . 1 1 76 76 ASN CB C 76 38.343 38.343 38.606 -0.263 25919 410 1 1 . 1 1 76 76 ASN H H 76 8.340 8.340 8.080 0.260 25919 411 1 1 . 1 1 77 77 GLN N N 77 121.144 121.144 120.323 0.821 25919 412 1 1 . 1 1 77 77 GLN HA H 77 4.287 4.287 4.358 -0.071 25919 413 1 1 . 1 1 77 77 GLN C C 77 175.053 175.053 175.050 0.003 25919 414 1 1 . 1 1 77 77 GLN CA C 77 55.856 55.856 55.213 0.643 25919 415 1 1 . 1 1 77 77 GLN CB C 77 30.320 30.320 29.130 1.190 25919 416 1 1 . 1 1 77 77 GLN H H 77 7.546 7.546 7.591 -0.045 25919 417 1 1 . 1 1 78 78 ALA N N 78 131.146 131.146 129.729 1.417 25919 418 1 1 . 1 1 78 78 ALA HA H 78 4.179 4.179 4.291 -0.112 25919 419 1 1 . 1 1 78 78 ALA C C 78 176.453 176.453 176.172 0.281 25919 420 1 1 . 1 1 78 78 ALA CA C 78 52.852 52.852 52.442 0.410 25919 421 1 1 . 1 1 78 78 ALA CB C 78 20.074 20.074 19.675 0.398 25919 422 1 1 . 1 1 78 78 ALA H H 78 8.730 8.730 8.391 0.339 25919 423 1 1 . 1 1 79 79 PHE N N 79 119.860 119.860 123.610 -3.750 25919 424 1 1 . 1 1 79 79 PHE HA H 79 4.453 4.453 5.254 -0.801 25919 425 1 1 . 1 1 79 79 PHE C C 79 171.834 171.834 173.123 -1.289 25919 426 1 1 . 1 1 79 79 PHE CA C 79 59.115 59.115 57.401 1.714 25919 427 1 1 . 1 1 79 79 PHE CB C 79 42.246 42.246 42.838 -0.592 25919 428 1 1 . 1 1 79 79 PHE H H 79 7.601 7.601 7.976 -0.375 25919 429 1 1 . 1 1 80 80 PHE N N 80 126.800 126.800 123.767 3.033 25919 430 1 1 . 1 1 80 80 PHE HA H 80 4.396 4.396 4.500 -0.104 25919 431 1 1 . 1 1 80 80 PHE C C 80 173.169 173.169 173.306 -0.137 25919 432 1 1 . 1 1 80 80 PHE CA C 80 56.859 56.859 56.600 0.259 25919 433 1 1 . 1 1 80 80 PHE CB C 80 41.946 41.946 43.390 -1.444 25919 434 1 1 . 1 1 80 80 PHE H H 80 8.504 8.504 8.555 -0.051 25919 435 1 1 . 1 1 81 81 LEU N N 81 122.590 122.590 122.906 -0.316 25919 436 1 1 . 1 1 81 81 LEU HA H 81 4.902 4.902 4.746 0.156 25919 437 1 1 . 1 1 81 81 LEU CA C 81 53.108 53.108 54.139 -1.031 25919 438 1 1 . 1 1 81 81 LEU CB C 81 45.781 45.781 43.280 2.501 25919 439 1 1 . 1 1 81 81 LEU H H 81 8.159 8.159 8.576 -0.417 25919 440 1 1 . 1 1 82 82 LEU N N 82 126.414 126.414 125.270 1.144 25919 441 1 1 . 1 1 82 82 LEU HA H 82 4.807 4.807 4.837 -0.030 25919 442 1 1 . 1 1 82 82 LEU C C 82 174.204 174.204 176.342 -2.138 25919 443 1 1 . 1 1 82 82 LEU CA C 82 54.200 54.200 53.595 0.605 25919 444 1 1 . 1 1 82 82 LEU CB C 82 43.650 43.650 41.412 2.238 25919 445 1 1 . 1 1 82 82 LEU H H 82 9.347 9.347 9.257 0.090 25919 446 1 1 . 1 1 83 83 VAL N N 83 123.910 123.910 125.016 -1.106 25919 447 1 1 . 1 1 83 83 VAL HA H 83 4.466 4.466 4.138 0.328 25919 448 1 1 . 1 1 83 83 VAL C C 83 175.891 175.891 176.929 -1.038 25919 449 1 1 . 1 1 83 83 VAL CA C 83 61.339 61.339 63.407 -2.068 25919 450 1 1 . 1 1 83 83 VAL CB C 83 34.013 34.013 31.758 2.256 25919 451 1 1 . 1 1 83 83 VAL H H 83 8.676 8.676 8.420 0.256 25919 452 1 1 . 1 1 84 84 ASN N N 84 127.149 127.149 126.831 0.318 25919 453 1 1 . 1 1 84 84 ASN HA H 84 4.384 4.384 4.405 -0.021 25919 454 1 1 . 1 1 84 84 ASN CA C 84 54.494 54.494 54.293 0.201 25919 455 1 1 . 1 1 84 84 ASN CB C 84 37.933 37.933 37.539 0.394 25919 456 1 1 . 1 1 84 84 ASN H H 84 9.630 9.630 9.319 0.311 25919 457 1 1 . 1 1 85 85 GLY N N 85 101.905 101.905 102.612 -0.707 25919 458 1 1 . 1 1 85 85 GLY C C 85 175.112 175.112 173.537 1.575 25919 459 1 1 . 1 1 85 85 GLY CA C 85 45.624 45.624 45.522 0.102 25919 460 1 1 . 1 1 85 85 GLY H H 85 8.670 8.670 8.018 0.652 25919 461 1 1 . 1 1 86 86 HIS N N 86 117.905 117.905 118.831 -0.926 25919 462 1 1 . 1 1 86 86 HIS HA H 86 5.039 5.039 5.027 0.012 25919 463 1 1 . 1 1 86 86 HIS CA C 86 53.890 53.890 54.145 -0.255 25919 464 1 1 . 1 1 86 86 HIS CB C 86 30.888 30.888 32.703 -1.815 25919 465 1 1 . 1 1 86 86 HIS H H 86 7.927 7.927 7.741 0.186 25919 466 1 1 . 1 1 87 87 SER N N 87 118.646 118.646 118.297 0.349 25919 467 1 1 . 1 1 87 87 SER HA H 87 4.397 4.397 4.508 -0.111 25919 468 1 1 . 1 1 87 87 SER C C 87 175.275 175.275 175.118 0.157 25919 469 1 1 . 1 1 87 87 SER CA C 87 58.414 58.414 59.130 -0.716 25919 470 1 1 . 1 1 87 87 SER CB C 87 63.772 63.772 63.544 0.228 25919 471 1 1 . 1 1 87 87 SER H H 87 8.927 8.927 9.367 -0.440 25919 472 1 1 . 1 1 88 88 MET N N 88 126.013 126.013 126.780 -0.767 25919 473 1 1 . 1 1 88 88 MET HA H 88 4.851 4.851 4.761 0.090 25919 474 1 1 . 1 1 88 88 MET C C 88 178.796 178.796 177.042 1.754 25919 475 1 1 . 1 1 88 88 MET CA C 88 54.727 54.727 55.020 -0.293 25919 476 1 1 . 1 1 88 88 MET CB C 88 33.309 33.309 33.368 -0.059 25919 477 1 1 . 1 1 88 88 MET H H 88 9.088 9.088 8.820 0.268 25919 478 1 1 . 1 1 89 89 VAL N N 89 121.153 121.153 122.918 -1.765 25919 479 1 1 . 1 1 89 89 VAL HA H 89 4.057 4.057 3.601 0.456 25919 480 1 1 . 1 1 89 89 VAL C C 89 176.695 176.695 176.251 0.444 25919 481 1 1 . 1 1 89 89 VAL CA C 89 63.592 63.592 65.998 -2.406 25919 482 1 1 . 1 1 89 89 VAL CB C 89 32.422 32.422 32.071 0.351 25919 483 1 1 . 1 1 89 89 VAL H H 89 8.144 8.144 7.535 0.609 25919 484 1 1 . 1 1 90 90 SER N N 90 116.778 116.778 112.132 4.646 25919 485 1 1 . 1 1 90 90 SER HA H 90 4.561 4.561 4.454 0.107 25919 486 1 1 . 1 1 90 90 SER C C 90 173.898 173.898 174.402 -0.504 25919 487 1 1 . 1 1 90 90 SER CA C 90 57.895 57.895 58.334 -0.439 25919 488 1 1 . 1 1 90 90 SER CB C 90 63.133 63.133 63.396 -0.263 25919 489 1 1 . 1 1 90 90 SER H H 90 8.322 8.322 8.045 0.277 25919 490 1 1 . 1 1 91 91 VAL N N 91 120.735 120.735 122.728 -1.993 25919 491 1 1 . 1 1 91 91 VAL HA H 91 4.286 4.286 4.075 0.211 25919 492 1 1 . 1 1 91 91 VAL CA C 91 62.846 62.846 61.879 0.967 25919 493 1 1 . 1 1 91 91 VAL CB C 91 32.069 32.069 32.903 -0.834 25919 494 1 1 . 1 1 91 91 VAL H H 91 8.036 8.036 7.542 0.494 25919 495 1 1 . 1 1 92 92 SER N N 92 118.146 118.146 122.702 -4.556 25919 496 1 1 . 1 1 92 92 SER HA H 92 4.549 4.549 4.563 -0.014 25919 497 1 1 . 1 1 92 92 SER CA C 92 57.813 57.813 58.282 -0.469 25919 498 1 1 . 1 1 92 92 SER CB C 92 63.488 63.488 63.556 -0.068 25919 499 1 1 . 1 1 92 92 SER H H 92 8.470 8.470 8.696 -0.226 25919 500 1 1 . 1 1 93 93 THR N N 93 119.747 119.747 119.443 0.304 25919 501 1 1 . 1 1 93 93 THR HA H 93 4.467 4.467 4.382 0.085 25919 502 1 1 . 1 1 93 93 THR CA C 93 61.005 61.005 61.474 -0.469 25919 503 1 1 . 1 1 93 93 THR CB C 93 70.592 70.592 68.332 2.260 25919 504 1 1 . 1 1 93 93 THR H H 93 7.382 7.382 7.634 -0.252 25919 505 1 1 . 1 1 94 94 PRO HA H 94 4.424 4.424 4.494 -0.070 25919 506 1 1 . 1 1 94 94 PRO CA C 94 63.060 63.060 63.467 -0.407 25919 507 1 1 . 1 1 94 94 PRO CB C 94 32.798 32.798 32.194 0.604 25919 508 1 1 . 1 1 95 95 ILE N N 95 124.894 124.894 125.229 -0.335 25919 509 1 1 . 1 1 95 95 ILE HA H 95 3.984 3.984 3.833 0.151 25919 510 1 1 . 1 1 95 95 ILE CA C 95 63.963 63.963 62.536 1.427 25919 511 1 1 . 1 1 95 95 ILE CB C 95 38.200 38.200 38.275 -0.075 25919 512 1 1 . 1 1 95 95 ILE H H 95 9.358 9.358 8.840 0.518 25919 513 1 1 . 1 1 96 96 SER N N 96 117.523 117.523 116.108 1.415 25919 514 1 1 . 1 1 96 96 SER HA H 96 4.004 4.004 4.148 -0.144 25919 515 1 1 . 1 1 96 96 SER CA C 96 61.700 61.700 62.259 -0.559 25919 516 1 1 . 1 1 96 96 SER CB C 96 61.400 61.400 62.788 -1.389 25919 517 1 1 . 1 1 96 96 SER H H 96 8.202 8.202 7.822 0.380 25919 518 1 1 . 1 1 97 97 GLU N N 97 123.657 123.657 121.362 2.295 25919 519 1 1 . 1 1 97 97 GLU HA H 97 4.282 4.282 4.240 0.042 25919 520 1 1 . 1 1 97 97 GLU CA C 97 58.700 58.700 58.899 -0.199 25919 521 1 1 . 1 1 97 97 GLU CB C 97 29.800 29.800 29.433 0.367 25919 522 1 1 . 1 1 97 97 GLU H H 97 7.301 7.301 7.743 -0.442 25919 523 1 1 . 1 1 98 98 VAL N N 98 121.907 121.907 120.178 1.729 25919 524 1 1 . 1 1 98 98 VAL HA H 98 3.797 3.797 3.736 0.061 25919 525 1 1 . 1 1 98 98 VAL CA C 98 65.949 65.949 66.237 -0.288 25919 526 1 1 . 1 1 98 98 VAL CB C 98 32.186 32.186 31.221 0.965 25919 527 1 1 . 1 1 98 98 VAL H H 98 7.410 7.410 7.585 -0.175 25919 528 1 1 . 1 1 99 99 TYR N N 99 119.526 119.526 121.522 -1.996 25919 529 1 1 . 1 1 99 99 TYR HA H 99 4.016 4.016 4.010 0.006 25919 530 1 1 . 1 1 99 99 TYR C C 99 175.741 175.741 177.519 -1.778 25919 531 1 1 . 1 1 99 99 TYR CA C 99 62.229 62.229 62.284 -0.055 25919 532 1 1 . 1 1 99 99 TYR CB C 99 38.967 38.967 38.620 0.347 25919 533 1 1 . 1 1 99 99 TYR H H 99 9.071 9.071 8.678 0.393 25919 534 1 1 . 1 1 100 100 GLU N N 100 114.405 114.405 116.886 -2.481 25919 535 1 1 . 1 1 100 100 GLU HA H 100 3.850 3.850 3.823 0.027 25919 536 1 1 . 1 1 100 100 GLU C C 100 178.094 178.094 178.015 0.079 25919 537 1 1 . 1 1 100 100 GLU CA C 100 58.920 58.920 58.541 0.379 25919 538 1 1 . 1 1 100 100 GLU CB C 100 29.481 29.481 29.003 0.478 25919 539 1 1 . 1 1 100 100 GLU H H 100 7.342 7.342 8.427 -1.085 25919 540 1 1 . 1 1 101 101 SER N N 101 109.656 109.656 113.020 -3.364 25919 541 1 1 . 1 1 101 101 SER HA H 101 4.529 4.529 4.347 0.182 25919 542 1 1 . 1 1 101 101 SER C C 101 176.681 176.681 175.820 0.861 25919 543 1 1 . 1 1 101 101 SER CA C 101 60.313 60.313 60.317 -0.004 25919 544 1 1 . 1 1 101 101 SER CB C 101 64.703 64.703 63.884 0.819 25919 545 1 1 . 1 1 101 101 SER H H 101 7.410 7.410 7.785 -0.375 25919 546 1 1 . 1 1 102 102 GLU N N 102 117.283 117.283 117.981 -0.698 25919 547 1 1 . 1 1 102 102 GLU HA H 102 4.721 4.721 4.591 0.130 25919 548 1 1 . 1 1 102 102 GLU CA C 102 55.592 55.592 55.300 0.292 25919 549 1 1 . 1 1 102 102 GLU CB C 102 30.564 30.564 30.955 -0.391 25919 550 1 1 . 1 1 102 102 GLU H H 102 8.500 8.500 7.552 0.948 25919 551 1 1 . 1 1 103 103 LYS N N 103 118.772 118.772 121.587 -2.815 25919 552 1 1 . 1 1 103 103 LYS HA H 103 4.179 4.179 3.995 0.184 25919 553 1 1 . 1 1 103 103 LYS C C 103 175.032 175.032 176.411 -1.379 25919 554 1 1 . 1 1 103 103 LYS CA C 103 57.154 57.154 57.489 -0.335 25919 555 1 1 . 1 1 103 103 LYS CB C 103 32.238 32.238 32.376 -0.138 25919 556 1 1 . 1 1 103 103 LYS H H 103 7.777 7.777 7.819 -0.042 25919 557 1 1 . 1 1 104 104 ASP N N 104 124.024 124.024 127.174 -3.150 25919 558 1 1 . 1 1 104 104 ASP HA H 104 5.032 5.032 4.776 0.256 25919 559 1 1 . 1 1 104 104 ASP C C 104 177.548 177.548 178.000 -0.452 25919 560 1 1 . 1 1 104 104 ASP CA C 104 53.882 53.882 52.806 1.076 25919 561 1 1 . 1 1 104 104 ASP CB C 104 43.420 43.420 43.012 0.408 25919 562 1 1 . 1 1 104 104 ASP H H 104 9.030 9.030 9.055 -0.025 25919 563 1 1 . 1 1 105 105 GLU N N 105 125.669 125.669 119.875 5.794 25919 564 1 1 . 1 1 105 105 GLU HA H 105 4.179 4.179 4.106 0.073 25919 565 1 1 . 1 1 105 105 GLU CA C 105 59.526 59.526 59.393 0.133 25919 566 1 1 . 1 1 105 105 GLU CB C 105 30.036 30.036 29.622 0.414 25919 567 1 1 . 1 1 105 105 GLU H H 105 8.894 8.894 8.897 -0.003 25919 568 1 1 . 1 1 106 106 ASP N N 106 119.257 119.257 115.861 3.396 25919 569 1 1 . 1 1 106 106 ASP HA H 106 4.180 4.180 4.622 -0.442 25919 570 1 1 . 1 1 106 106 ASP C C 106 176.018 176.018 175.776 0.242 25919 571 1 1 . 1 1 106 106 ASP CA C 106 54.750 54.750 53.442 1.308 25919 572 1 1 . 1 1 106 106 ASP CB C 106 40.250 40.250 41.238 -0.988 25919 573 1 1 . 1 1 106 106 ASP H H 106 9.838 9.838 7.915 1.923 25919 574 1 1 . 1 1 107 107 GLY N N 107 106.307 106.307 106.920 -0.613 25919 575 1 1 . 1 1 107 107 GLY CA C 107 45.125 45.125 45.531 -0.406 25919 576 1 1 . 1 1 107 107 GLY H H 107 7.945 7.945 7.767 0.178 25919 577 1 1 . 1 1 108 108 PHE N N 108 124.389 124.389 117.460 6.929 25919 578 1 1 . 1 1 108 108 PHE HA H 108 4.670 4.670 5.380 -0.710 25919 579 1 1 . 1 1 108 108 PHE C C 108 179.501 179.501 174.369 5.132 25919 580 1 1 . 1 1 108 108 PHE CA C 108 60.288 60.288 53.788 6.500 25919 581 1 1 . 1 1 108 108 PHE CB C 108 40.506 40.506 39.503 1.003 25919 582 1 1 . 1 1 108 108 PHE H H 108 9.739 9.739 6.766 2.973 25919 583 1 1 . 1 1 109 109 LEU N N 109 120.814 120.814 120.519 0.295 25919 584 1 1 . 1 1 109 109 LEU HA H 109 5.038 5.038 4.974 0.064 25919 585 1 1 . 1 1 109 109 LEU CA C 109 53.479 53.479 53.526 -0.047 25919 586 1 1 . 1 1 109 109 LEU CB C 109 45.197 45.197 45.824 -0.627 25919 587 1 1 . 1 1 109 109 LEU H H 109 7.968 7.968 8.467 -0.499 25919 588 1 1 . 1 1 110 110 TYR N N 110 127.403 127.403 124.595 2.808 25919 589 1 1 . 1 1 110 110 TYR HA H 110 4.907 4.907 4.989 -0.082 25919 590 1 1 . 1 1 110 110 TYR CA C 110 59.259 59.259 57.374 1.885 25919 591 1 1 . 1 1 110 110 TYR CB C 110 39.469 39.469 40.875 -1.406 25919 592 1 1 . 1 1 110 110 TYR H H 110 9.349 9.349 9.120 0.229 25919 593 1 1 . 1 1 111 111 MET N N 111 120.344 120.344 122.039 -1.695 25919 594 1 1 . 1 1 111 111 MET HA H 111 5.543 5.543 5.116 0.427 25919 595 1 1 . 1 1 111 111 MET CA C 111 54.341 54.341 54.690 -0.349 25919 596 1 1 . 1 1 111 111 MET CB C 111 36.894 36.894 35.267 1.627 25919 597 1 1 . 1 1 111 111 MET H H 111 9.575 9.575 9.147 0.428 25919 598 1 1 . 1 1 112 112 VAL N N 112 121.026 121.026 124.762 -3.736 25919 599 1 1 . 1 1 112 112 VAL HA H 112 5.938 5.938 4.924 1.014 25919 600 1 1 . 1 1 112 112 VAL C C 112 176.696 176.696 175.314 1.382 25919 601 1 1 . 1 1 112 112 VAL CA C 112 59.068 59.068 61.776 -2.708 25919 602 1 1 . 1 1 112 112 VAL CB C 112 36.180 36.180 32.875 3.305 25919 603 1 1 . 1 1 112 112 VAL H H 112 8.730 8.730 8.796 -0.066 25919 604 1 1 . 1 1 113 113 TYR N N 113 119.995 119.995 122.699 -2.704 25919 605 1 1 . 1 1 113 113 TYR HA H 113 6.143 6.143 5.860 0.283 25919 606 1 1 . 1 1 113 113 TYR C C 113 173.533 173.533 173.501 0.032 25919 607 1 1 . 1 1 113 113 TYR CA C 113 54.165 54.165 54.820 -0.655 25919 608 1 1 . 1 1 113 113 TYR CB C 113 43.667 43.667 42.126 1.541 25919 609 1 1 . 1 1 113 113 TYR H H 113 8.172 8.172 9.026 -0.854 25919 610 1 1 . 1 1 114 114 ALA N N 114 120.454 120.454 124.627 -4.173 25919 611 1 1 . 1 1 114 114 ALA HA H 114 4.750 4.750 4.921 -0.171 25919 612 1 1 . 1 1 114 114 ALA C C 114 176.007 176.007 176.275 -0.268 25919 613 1 1 . 1 1 114 114 ALA CA C 114 51.356 51.356 51.307 0.049 25919 614 1 1 . 1 1 114 114 ALA CB C 114 24.623 24.623 22.318 2.305 25919 615 1 1 . 1 1 114 114 ALA H H 114 8.499 8.499 8.383 0.116 25919 616 1 1 . 1 1 115 115 SER N N 115 115.279 115.279 114.109 1.170 25919 617 1 1 . 1 1 115 115 SER HA H 115 4.505 4.505 4.712 -0.207 25919 618 1 1 . 1 1 115 115 SER C C 115 172.860 172.860 174.325 -1.465 25919 619 1 1 . 1 1 115 115 SER CA C 115 58.837 58.837 60.023 -1.186 25919 620 1 1 . 1 1 115 115 SER CB C 115 63.798 63.798 64.124 -0.325 25919 621 1 1 . 1 1 115 115 SER H H 115 9.823 9.823 9.072 0.751 25919 622 1 1 . 1 1 116 116 GLN N N 116 117.398 117.398 117.513 -0.115 25919 623 1 1 . 1 1 116 116 GLN HA H 116 4.453 4.453 4.298 0.155 25919 624 1 1 . 1 1 116 116 GLN C C 116 173.181 173.181 174.342 -1.161 25919 625 1 1 . 1 1 116 116 GLN CA C 116 54.024 54.024 54.829 -0.805 25919 626 1 1 . 1 1 116 116 GLN CB C 116 32.179 32.179 30.705 1.474 25919 627 1 1 . 1 1 116 116 GLN H H 116 7.165 7.165 7.427 -0.262 25919 628 1 1 . 1 1 117 117 GLU N N 117 118.885 118.885 120.947 -2.062 25919 629 1 1 . 1 1 117 117 GLU HA H 117 3.224 3.224 3.809 -0.585 25919 630 1 1 . 1 1 117 117 GLU C C 117 175.451 175.451 175.655 -0.204 25919 631 1 1 . 1 1 117 117 GLU CA C 117 56.917 56.917 58.001 -1.083 25919 632 1 1 . 1 1 117 117 GLU CB C 117 30.206 30.206 29.659 0.547 25919 633 1 1 . 1 1 117 117 GLU H H 117 7.873 7.873 8.488 -0.615 25919 634 1 1 . 1 1 118 118 THR N N 118 110.883 110.883 105.945 4.938 25919 635 1 1 . 1 1 118 118 THR HA H 118 4.074 4.074 4.198 -0.124 25919 636 1 1 . 1 1 118 118 THR C C 118 173.234 173.234 172.958 0.276 25919 637 1 1 . 1 1 118 118 THR CA C 118 60.300 60.300 60.695 -0.395 25919 638 1 1 . 1 1 118 118 THR CB C 118 70.118 70.118 70.451 -0.333 25919 639 1 1 . 1 1 118 118 THR H H 118 6.988 6.988 7.316 -0.328 25919 640 1 1 . 1 1 119 119 PHE N N 119 122.773 122.773 124.204 -1.431 25919 641 1 1 . 1 1 119 119 PHE HA H 119 4.397 4.397 5.013 -0.616 25919 642 1 1 . 1 1 119 119 PHE C C 119 175.045 175.045 174.394 0.651 25919 643 1 1 . 1 1 119 119 PHE CA C 119 56.810 56.810 58.177 -1.367 25919 644 1 1 . 1 1 119 119 PHE CB C 119 39.349 39.349 41.794 -2.445 25919 645 1 1 . 1 1 119 119 PHE H H 119 8.122 8.122 9.213 -1.091 25919 646 1 2 . 1 1 2 2 PRO HA H 2 4.424 4.424 4.505 -0.081 25919 647 1 2 . 1 1 2 2 PRO C C 2 176.917 176.917 176.986 -0.069 25919 648 1 2 . 1 1 2 2 PRO CA C 2 63.418 63.418 63.762 -0.344 25919 649 1 2 . 1 1 2 2 PRO CB C 2 32.160 32.160 32.046 0.114 25919 650 1 2 . 1 1 3 3 SER N N 3 116.273 116.273 113.518 2.755 25919 651 1 2 . 1 1 3 3 SER HA H 3 4.389 4.389 4.574 -0.185 25919 652 1 2 . 1 1 3 3 SER C C 3 174.762 174.762 175.657 -0.895 25919 653 1 2 . 1 1 3 3 SER CA C 3 58.472 58.472 58.894 -0.422 25919 654 1 2 . 1 1 3 3 SER CB C 3 63.913 63.913 63.077 0.836 25919 655 1 2 . 1 1 3 3 SER H H 3 8.366 8.366 7.896 0.470 25919 656 1 2 . 1 1 4 4 GLU N N 4 123.959 123.959 125.311 -1.352 25919 657 1 2 . 1 1 4 4 GLU HA H 4 4.289 4.289 3.875 0.414 25919 658 1 2 . 1 1 4 4 GLU C C 4 176.545 176.545 175.422 1.123 25919 659 1 2 . 1 1 4 4 GLU CA C 4 56.785 56.785 58.961 -2.175 25919 660 1 2 . 1 1 4 4 GLU CB C 4 30.200 30.200 29.089 1.111 25919 661 1 2 . 1 1 4 4 GLU H H 4 8.513 8.513 8.783 -0.270 25919 662 1 2 . 1 1 5 5 LYS N N 5 122.165 122.165 117.695 4.470 25919 663 1 2 . 1 1 5 5 LYS HA H 5 4.508 4.508 4.501 0.007 25919 664 1 2 . 1 1 5 5 LYS C C 5 177.178 177.178 174.816 2.362 25919 665 1 2 . 1 1 5 5 LYS CA C 5 56.000 56.000 54.945 1.055 25919 666 1 2 . 1 1 5 5 LYS CB C 5 34.758 34.758 34.953 -0.195 25919 667 1 2 . 1 1 5 5 LYS H H 5 8.198 8.198 7.770 0.428 25919 668 1 2 . 1 1 6 6 THR N N 6 115.586 115.586 113.122 2.464 25919 669 1 2 . 1 1 6 6 THR HA H 6 4.426 4.426 4.309 0.117 25919 670 1 2 . 1 1 6 6 THR C C 6 175.570 175.570 176.250 -0.680 25919 671 1 2 . 1 1 6 6 THR CA C 6 61.120 61.120 60.813 0.307 25919 672 1 2 . 1 1 6 6 THR CB C 6 69.871 69.871 69.992 -0.121 25919 673 1 2 . 1 1 6 6 THR H H 6 8.423 8.423 8.126 0.297 25919 674 1 2 . 1 1 7 7 PHE N N 7 126.100 126.100 116.766 9.334 25919 675 1 2 . 1 1 7 7 PHE HA H 7 3.935 3.935 4.557 -0.622 25919 676 1 2 . 1 1 7 7 PHE CA C 7 63.687 63.687 58.288 5.399 25919 677 1 2 . 1 1 7 7 PHE CB C 7 39.656 39.656 37.945 1.711 25919 678 1 2 . 1 1 7 7 PHE H H 7 10.276 10.276 7.963 2.313 25919 679 1 2 . 1 1 8 8 LYS N N 8 115.026 115.026 122.395 -7.369 25919 680 1 2 . 1 1 8 8 LYS HA H 8 3.800 3.800 4.381 -0.581 25919 681 1 2 . 1 1 8 8 LYS CA C 8 59.944 59.944 57.680 2.264 25919 682 1 2 . 1 1 8 8 LYS CB C 8 33.852 33.852 31.955 1.897 25919 683 1 2 . 1 1 8 8 LYS H H 8 8.707 8.707 7.566 1.141 25919 684 1 2 . 1 1 9 9 GLN N N 9 113.774 113.774 116.878 -3.104 25919 685 1 2 . 1 1 9 9 GLN HA H 9 4.178 4.178 4.124 0.054 25919 686 1 2 . 1 1 9 9 GLN C C 9 173.193 173.193 177.517 -4.324 25919 687 1 2 . 1 1 9 9 GLN CA C 9 56.741 56.741 57.570 -0.829 25919 688 1 2 . 1 1 9 9 GLN CB C 9 30.065 30.065 29.053 1.012 25919 689 1 2 . 1 1 9 9 GLN H H 9 7.343 7.343 7.959 -0.616 25919 690 1 2 . 1 1 10 10 ARG N N 10 119.156 119.156 118.169 0.987 25919 691 1 2 . 1 1 10 10 ARG HA H 10 4.248 4.248 4.510 -0.262 25919 692 1 2 . 1 1 10 10 ARG CA C 10 57.555 57.555 56.546 1.009 25919 693 1 2 . 1 1 10 10 ARG CB C 10 31.771 31.771 32.831 -1.060 25919 694 1 2 . 1 1 10 10 ARG H H 10 7.912 7.912 8.107 -0.195 25919 695 1 2 . 1 1 11 11 ARG N N 11 120.777 120.777 120.132 0.645 25919 696 1 2 . 1 1 11 11 ARG HA H 11 4.685 4.685 4.952 -0.267 25919 697 1 2 . 1 1 11 11 ARG CA C 11 53.161 53.161 54.328 -1.167 25919 698 1 2 . 1 1 11 11 ARG CB C 11 32.773 32.773 32.113 0.660 25919 699 1 2 . 1 1 11 11 ARG H H 11 7.341 7.341 8.599 -1.258 25919 700 1 2 . 1 1 12 12 THR N N 12 116.696 116.696 112.135 4.561 25919 701 1 2 . 1 1 12 12 THR HA H 12 4.358 4.358 4.696 -0.338 25919 702 1 2 . 1 1 12 12 THR C C 12 175.056 175.056 175.334 -0.278 25919 703 1 2 . 1 1 12 12 THR CA C 12 61.795 61.795 59.960 1.835 25919 704 1 2 . 1 1 12 12 THR CB C 12 71.050 71.050 72.424 -1.374 25919 705 1 2 . 1 1 12 12 THR H H 12 8.855 8.855 7.984 0.871 25919 706 1 2 . 1 1 13 13 PHE N N 13 123.894 123.894 123.405 0.489 25919 707 1 2 . 1 1 13 13 PHE HA H 13 4.043 4.043 4.069 -0.026 25919 708 1 2 . 1 1 13 13 PHE C C 13 176.234 176.234 176.474 -0.240 25919 709 1 2 . 1 1 13 13 PHE CA C 13 62.947 62.947 63.136 -0.189 25919 710 1 2 . 1 1 13 13 PHE CB C 13 39.571 39.571 39.162 0.409 25919 711 1 2 . 1 1 13 13 PHE H H 13 9.221 9.221 8.903 0.318 25919 712 1 2 . 1 1 14 14 GLU N N 14 116.516 116.516 116.788 -0.272 25919 713 1 2 . 1 1 14 14 GLU HA H 14 3.812 3.812 3.890 -0.078 25919 714 1 2 . 1 1 14 14 GLU CA C 14 60.699 60.699 59.803 0.896 25919 715 1 2 . 1 1 14 14 GLU CB C 14 28.943 28.943 28.171 0.772 25919 716 1 2 . 1 1 14 14 GLU H H 14 9.002 9.002 9.244 -0.242 25919 717 1 2 . 1 1 15 15 GLN N N 15 119.291 119.291 119.830 -0.539 25919 718 1 2 . 1 1 15 15 GLN HA H 15 4.024 4.024 4.102 -0.078 25919 719 1 2 . 1 1 15 15 GLN C C 15 175.263 175.263 178.684 -3.421 25919 720 1 2 . 1 1 15 15 GLN CA C 15 58.800 58.800 58.599 0.201 25919 721 1 2 . 1 1 15 15 GLN CB C 15 29.300 29.300 28.693 0.607 25919 722 1 2 . 1 1 15 15 GLN H H 15 7.706 7.706 7.684 0.022 25919 723 1 2 . 1 1 16 16 ARG N N 16 122.883 122.883 120.068 2.815 25919 724 1 2 . 1 1 16 16 ARG HA H 16 4.235 4.235 4.051 0.184 25919 725 1 2 . 1 1 16 16 ARG CA C 16 61.660 61.660 59.577 2.083 25919 726 1 2 . 1 1 16 16 ARG CB C 16 30.877 30.877 30.204 0.673 25919 727 1 2 . 1 1 16 16 ARG H H 16 8.567 8.567 8.348 0.219 25919 728 1 2 . 1 1 17 17 VAL N N 17 118.523 118.523 120.149 -1.626 25919 729 1 2 . 1 1 17 17 VAL HA H 17 3.865 3.865 3.653 0.212 25919 730 1 2 . 1 1 17 17 VAL C C 17 174.213 174.213 177.999 -3.786 25919 731 1 2 . 1 1 17 17 VAL CA C 17 65.550 65.550 66.339 -0.789 25919 732 1 2 . 1 1 17 17 VAL CB C 17 32.171 32.171 31.689 0.482 25919 733 1 2 . 1 1 17 17 VAL H H 17 8.430 8.430 8.447 -0.017 25919 734 1 2 . 1 1 18 18 GLU N N 18 120.170 120.170 119.805 0.365 25919 735 1 2 . 1 1 18 18 GLU HA H 18 4.212 4.212 3.955 0.257 25919 736 1 2 . 1 1 18 18 GLU C C 18 175.758 175.758 178.207 -2.449 25919 737 1 2 . 1 1 18 18 GLU CA C 18 58.488 58.488 59.178 -0.690 25919 738 1 2 . 1 1 18 18 GLU CB C 18 29.360 29.360 29.057 0.303 25919 739 1 2 . 1 1 18 18 GLU H H 18 7.423 7.423 7.663 -0.240 25919 740 1 2 . 1 1 19 19 ASP N N 19 121.273 121.273 120.434 0.839 25919 741 1 2 . 1 1 19 19 ASP HA H 19 4.384 4.384 4.329 0.055 25919 742 1 2 . 1 1 19 19 ASP C C 19 177.016 177.016 178.555 -1.539 25919 743 1 2 . 1 1 19 19 ASP CA C 19 56.900 56.900 57.235 -0.335 25919 744 1 2 . 1 1 19 19 ASP CB C 19 41.884 41.884 40.584 1.300 25919 745 1 2 . 1 1 19 19 ASP H H 19 7.955 7.955 8.221 -0.266 25919 746 1 2 . 1 1 20 20 VAL N N 20 119.523 119.523 120.596 -1.073 25919 747 1 2 . 1 1 20 20 VAL HA H 20 3.232 3.232 3.504 -0.272 25919 748 1 2 . 1 1 20 20 VAL C C 20 173.876 173.876 177.747 -3.871 25919 749 1 2 . 1 1 20 20 VAL CA C 20 66.128 66.128 65.759 0.369 25919 750 1 2 . 1 1 20 20 VAL CB C 20 31.099 31.099 31.252 -0.153 25919 751 1 2 . 1 1 20 20 VAL H H 20 7.818 7.818 8.179 -0.361 25919 752 1 2 . 1 1 21 21 ARG N N 21 120.310 120.310 120.866 -0.556 25919 753 1 2 . 1 1 21 21 ARG HA H 21 3.803 3.803 4.002 -0.199 25919 754 1 2 . 1 1 21 21 ARG CA C 21 59.934 59.934 60.048 -0.114 25919 755 1 2 . 1 1 21 21 ARG CB C 21 30.076 30.076 30.220 -0.144 25919 756 1 2 . 1 1 21 21 ARG H H 21 8.037 8.037 7.889 0.148 25919 757 1 2 . 1 1 22 22 LEU N N 22 118.660 118.660 118.562 0.098 25919 758 1 2 . 1 1 22 22 LEU HA H 22 4.094 4.094 4.320 -0.226 25919 759 1 2 . 1 1 22 22 LEU C C 22 177.626 177.626 179.076 -1.450 25919 760 1 2 . 1 1 22 22 LEU CA C 22 57.738 57.738 57.673 0.065 25919 761 1 2 . 1 1 22 22 LEU CB C 22 42.222 42.222 41.536 0.686 25919 762 1 2 . 1 1 22 22 LEU H H 22 8.050 8.050 8.430 -0.380 25919 763 1 2 . 1 1 23 23 ILE N N 23 122.825 122.825 121.268 1.557 25919 764 1 2 . 1 1 23 23 ILE HA H 23 4.122 4.122 3.721 0.401 25919 765 1 2 . 1 1 23 23 ILE C C 23 176.226 176.226 178.285 -2.059 25919 766 1 2 . 1 1 23 23 ILE CA C 23 61.243 61.243 63.826 -2.583 25919 767 1 2 . 1 1 23 23 ILE CB C 23 38.268 38.268 36.375 1.893 25919 768 1 2 . 1 1 23 23 ILE H H 23 8.390 8.390 8.587 -0.197 25919 769 1 2 . 1 1 24 24 ARG N N 24 122.365 122.365 119.393 2.972 25919 770 1 2 . 1 1 24 24 ARG HA H 24 4.017 4.017 4.068 -0.051 25919 771 1 2 . 1 1 24 24 ARG CA C 24 57.684 57.684 57.859 -0.175 25919 772 1 2 . 1 1 24 24 ARG CB C 24 28.817 28.817 29.485 -0.668 25919 773 1 2 . 1 1 24 24 ARG H H 24 8.540 8.540 8.192 0.348 25919 774 1 2 . 1 1 25 25 GLU N N 25 118.383 118.383 118.778 -0.395 25919 775 1 2 . 1 1 25 25 GLU HA H 25 4.044 4.044 4.037 0.007 25919 776 1 2 . 1 1 25 25 GLU CA C 25 58.680 58.680 58.753 -0.073 25919 777 1 2 . 1 1 25 25 GLU CB C 25 29.850 29.850 29.644 0.206 25919 778 1 2 . 1 1 25 25 GLU H H 25 7.287 7.287 8.174 -0.887 25919 779 1 2 . 1 1 26 26 GLN N N 26 117.165 117.165 117.114 0.051 25919 780 1 2 . 1 1 26 26 GLN HA H 26 3.948 3.948 4.087 -0.139 25919 781 1 2 . 1 1 26 26 GLN C C 26 176.221 176.221 176.847 -0.626 25919 782 1 2 . 1 1 26 26 GLN CA C 26 57.638 57.638 57.248 0.390 25919 783 1 2 . 1 1 26 26 GLN CB C 26 30.320 30.320 29.648 0.672 25919 784 1 2 . 1 1 26 26 GLN H H 26 7.423 7.423 7.653 -0.230 25919 785 1 2 . 1 1 27 27 HIS N N 27 117.140 117.140 118.431 -1.291 25919 786 1 2 . 1 1 27 27 HIS HA H 27 4.866 4.866 5.016 -0.150 25919 787 1 2 . 1 1 27 27 HIS CA C 27 53.305 53.305 52.641 0.664 25919 788 1 2 . 1 1 27 27 HIS CB C 27 30.917 30.917 29.676 1.241 25919 789 1 2 . 1 1 27 27 HIS H H 27 8.254 8.254 8.178 0.076 25919 790 1 2 . 1 1 28 28 PRO HA H 28 4.609 4.609 4.380 0.229 25919 791 1 2 . 1 1 28 28 PRO CA C 28 64.881 64.881 65.135 -0.254 25919 792 1 2 . 1 1 28 28 PRO CB C 28 32.554 32.554 32.229 0.325 25919 793 1 2 . 1 1 29 29 THR N N 29 107.339 107.339 106.447 0.892 25919 794 1 2 . 1 1 29 29 THR HA H 29 4.644 4.644 4.228 0.416 25919 795 1 2 . 1 1 29 29 THR C C 29 172.933 172.933 174.313 -1.380 25919 796 1 2 . 1 1 29 29 THR CA C 29 60.600 60.600 62.643 -2.043 25919 797 1 2 . 1 1 29 29 THR CB C 29 68.520 68.520 68.576 -0.056 25919 798 1 2 . 1 1 29 29 THR H H 29 7.764 7.764 8.436 -0.672 25919 799 1 2 . 1 1 30 30 LYS N N 30 118.273 118.273 121.870 -3.597 25919 800 1 2 . 1 1 30 30 LYS HA H 30 4.926 4.926 4.646 0.280 25919 801 1 2 . 1 1 30 30 LYS C C 30 175.010 175.010 175.114 -0.104 25919 802 1 2 . 1 1 30 30 LYS CA C 30 53.740 53.740 55.778 -2.038 25919 803 1 2 . 1 1 30 30 LYS CB C 30 36.445 36.445 33.797 2.648 25919 804 1 2 . 1 1 30 30 LYS H H 30 7.478 7.478 7.416 0.062 25919 805 1 2 . 1 1 31 31 ILE N N 31 123.498 123.498 123.459 0.039 25919 806 1 2 . 1 1 31 31 ILE HA H 31 4.139 4.139 4.222 -0.083 25919 807 1 2 . 1 1 31 31 ILE CA C 31 54.669 54.669 56.024 -1.355 25919 808 1 2 . 1 1 31 31 ILE CB C 31 38.427 38.427 38.081 0.346 25919 809 1 2 . 1 1 31 31 ILE H H 31 9.235 9.235 8.801 0.434 25919 810 1 2 . 1 1 32 32 PRO HA H 32 5.212 5.212 4.571 0.641 25919 811 1 2 . 1 1 32 32 PRO C C 32 174.832 174.832 175.378 -0.546 25919 812 1 2 . 1 1 32 32 PRO CA C 32 61.678 61.678 62.255 -0.577 25919 813 1 2 . 1 1 32 32 PRO CB C 32 30.993 30.993 31.462 -0.469 25919 814 1 2 . 1 1 33 33 VAL N N 33 124.964 124.964 124.169 0.795 25919 815 1 2 . 1 1 33 33 VAL HA H 33 5.234 5.234 5.047 0.187 25919 816 1 2 . 1 1 33 33 VAL CA C 33 59.611 59.611 60.466 -0.855 25919 817 1 2 . 1 1 33 33 VAL CB C 33 35.711 35.711 35.898 -0.187 25919 818 1 2 . 1 1 33 33 VAL H H 33 9.289 9.289 8.796 0.493 25919 819 1 2 . 1 1 34 34 ILE N N 34 127.908 127.908 125.928 1.980 25919 820 1 2 . 1 1 34 34 ILE HA H 34 4.742 4.742 4.438 0.304 25919 821 1 2 . 1 1 34 34 ILE CA C 34 56.330 56.330 58.549 -2.219 25919 822 1 2 . 1 1 34 34 ILE CB C 34 36.629 36.629 38.215 -1.586 25919 823 1 2 . 1 1 34 34 ILE H H 34 8.594 8.594 8.873 -0.279 25919 824 1 2 . 1 1 35 35 ILE N N 35 125.405 125.405 126.004 -0.599 25919 825 1 2 . 1 1 35 35 ILE HA H 35 4.879 4.879 4.994 -0.115 25919 826 1 2 . 1 1 35 35 ILE C C 35 176.126 176.126 173.867 2.259 25919 827 1 2 . 1 1 35 35 ILE CA C 35 60.923 60.923 58.948 1.975 25919 828 1 2 . 1 1 35 35 ILE CB C 35 38.968 38.968 41.283 -2.315 25919 829 1 2 . 1 1 35 35 ILE H H 35 8.545 8.545 8.575 -0.030 25919 830 1 2 . 1 1 36 36 GLU N N 36 124.153 124.153 127.880 -3.727 25919 831 1 2 . 1 1 36 36 GLU HA H 36 4.789 4.789 4.805 -0.016 25919 832 1 2 . 1 1 36 36 GLU C C 36 173.645 173.645 174.721 -1.076 25919 833 1 2 . 1 1 36 36 GLU CA C 36 54.282 54.282 54.150 0.132 25919 834 1 2 . 1 1 36 36 GLU CB C 36 35.401 35.401 34.346 1.055 25919 835 1 2 . 1 1 36 36 GLU H H 36 8.363 8.363 8.264 0.099 25919 836 1 2 . 1 1 37 37 ARG N N 37 123.957 123.957 127.223 -3.266 25919 837 1 2 . 1 1 37 37 ARG HA H 37 2.804 2.804 3.280 -0.476 25919 838 1 2 . 1 1 37 37 ARG C C 37 176.456 176.456 175.942 0.514 25919 839 1 2 . 1 1 37 37 ARG CA C 37 56.120 56.120 56.616 -0.496 25919 840 1 2 . 1 1 37 37 ARG CB C 37 31.500 31.500 30.500 1.000 25919 841 1 2 . 1 1 37 37 ARG H H 37 8.853 8.853 8.709 0.144 25919 842 1 2 . 1 1 38 38 TYR N N 38 129.636 129.636 128.658 0.978 25919 843 1 2 . 1 1 38 38 TYR HA H 38 4.311 4.311 4.125 0.186 25919 844 1 2 . 1 1 38 38 TYR CA C 38 57.907 57.907 58.406 -0.499 25919 845 1 2 . 1 1 38 38 TYR CB C 38 39.567 39.567 39.161 0.406 25919 846 1 2 . 1 1 38 38 TYR H H 38 8.663 8.663 8.401 0.262 25919 847 1 2 . 1 1 39 39 LYS N N 39 130.772 130.772 127.915 2.857 25919 848 1 2 . 1 1 39 39 LYS HA H 39 3.848 3.848 3.775 0.073 25919 849 1 2 . 1 1 39 39 LYS CA C 39 58.986 58.986 58.413 0.574 25919 850 1 2 . 1 1 39 39 LYS CB C 39 31.777 31.777 32.100 -0.323 25919 851 1 2 . 1 1 39 39 LYS H H 39 8.389 8.389 8.298 0.091 25919 852 1 2 . 1 1 40 40 GLY N N 40 106.013 106.013 103.131 2.882 25919 853 1 2 . 1 1 40 40 GLY C C 40 173.407 173.407 174.615 -1.208 25919 854 1 2 . 1 1 40 40 GLY CA C 40 44.796 44.796 44.557 0.239 25919 855 1 2 . 1 1 40 40 GLY H H 40 5.643 5.643 6.325 -0.682 25919 856 1 2 . 1 1 41 41 GLU N N 41 123.519 123.519 119.816 3.703 25919 857 1 2 . 1 1 41 41 GLU HA H 41 4.265 4.265 4.519 -0.254 25919 858 1 2 . 1 1 41 41 GLU C C 41 176.231 176.231 175.899 0.332 25919 859 1 2 . 1 1 41 41 GLU CA C 41 56.365 56.365 55.879 0.486 25919 860 1 2 . 1 1 41 41 GLU CB C 41 31.077 31.077 30.065 1.012 25919 861 1 2 . 1 1 41 41 GLU H H 41 7.464 7.464 6.992 0.472 25919 862 1 2 . 1 1 42 42 LYS N N 42 124.405 124.405 125.031 -0.626 25919 863 1 2 . 1 1 42 42 LYS HA H 42 4.669 4.669 4.201 0.468 25919 864 1 2 . 1 1 42 42 LYS C C 42 177.170 177.170 176.680 0.490 25919 865 1 2 . 1 1 42 42 LYS CA C 42 55.750 55.750 56.567 -0.817 25919 866 1 2 . 1 1 42 42 LYS CB C 42 34.929 34.929 30.965 3.964 25919 867 1 2 . 1 1 42 42 LYS H H 42 8.895 8.895 8.415 0.480 25919 868 1 2 . 1 1 43 43 GLN N N 43 119.903 119.903 117.600 2.303 25919 869 1 2 . 1 1 43 43 GLN HA H 43 4.541 4.541 4.152 0.389 25919 870 1 2 . 1 1 43 43 GLN C C 43 177.260 177.260 176.980 0.280 25919 871 1 2 . 1 1 43 43 GLN CA C 43 57.566 57.566 56.858 0.708 25919 872 1 2 . 1 1 43 43 GLN CB C 43 30.620 30.620 29.360 1.260 25919 873 1 2 . 1 1 43 43 GLN H H 43 8.459 8.459 7.816 0.643 25919 874 1 2 . 1 1 44 44 LEU N N 44 121.272 121.272 120.966 0.306 25919 875 1 2 . 1 1 44 44 LEU HA H 44 4.726 4.726 4.614 0.112 25919 876 1 2 . 1 1 44 44 LEU CA C 44 53.165 53.165 53.325 -0.160 25919 877 1 2 . 1 1 44 44 LEU CB C 44 43.444 43.444 41.447 1.997 25919 878 1 2 . 1 1 44 44 LEU H H 44 9.002 9.002 8.219 0.783 25919 879 1 2 . 1 1 45 45 PRO HA H 45 4.722 4.722 4.563 0.159 25919 880 1 2 . 1 1 45 45 PRO CA C 45 62.169 62.169 63.411 -1.242 25919 881 1 2 . 1 1 45 45 PRO CB C 45 32.722 32.722 32.738 -0.016 25919 882 1 2 . 1 1 46 46 VAL N N 46 118.403 118.403 120.051 -1.648 25919 883 1 2 . 1 1 46 46 VAL HA H 46 4.009 4.009 4.427 -0.418 25919 884 1 2 . 1 1 46 46 VAL C C 46 173.416 173.416 176.908 -3.492 25919 885 1 2 . 1 1 46 46 VAL CA C 46 62.413 62.413 62.925 -0.512 25919 886 1 2 . 1 1 46 46 VAL CB C 46 33.087 33.087 32.858 0.230 25919 887 1 2 . 1 1 46 46 VAL H H 46 8.349 8.349 8.450 -0.101 25919 888 1 2 . 1 1 47 47 LEU N N 47 128.653 128.653 118.664 9.989 25919 889 1 2 . 1 1 47 47 LEU HA H 47 4.452 4.452 3.808 0.644 25919 890 1 2 . 1 1 47 47 LEU CA C 47 54.758 54.758 57.522 -2.764 25919 891 1 2 . 1 1 47 47 LEU CB C 47 44.076 44.076 39.931 4.145 25919 892 1 2 . 1 1 47 47 LEU H H 47 8.064 8.064 8.038 0.026 25919 893 1 2 . 1 1 48 48 ASP N N 48 121.042 121.042 118.996 2.046 25919 894 1 2 . 1 1 48 48 ASP HA H 48 4.347 4.347 4.965 -0.618 25919 895 1 2 . 1 1 48 48 ASP CA C 48 55.600 55.600 53.768 1.832 25919 896 1 2 . 1 1 48 48 ASP CB C 48 40.407 40.407 40.959 -0.552 25919 897 1 2 . 1 1 48 48 ASP H H 48 8.649 8.649 8.403 0.246 25919 898 1 2 . 1 1 49 49 LYS N N 49 118.877 118.877 121.122 -2.245 25919 899 1 2 . 1 1 49 49 LYS HA H 49 4.541 4.541 4.369 0.172 25919 900 1 2 . 1 1 49 49 LYS C C 49 179.744 179.744 176.862 2.882 25919 901 1 2 . 1 1 49 49 LYS CA C 49 54.099 54.099 56.604 -2.505 25919 902 1 2 . 1 1 49 49 LYS CB C 49 35.378 35.378 31.073 4.305 25919 903 1 2 . 1 1 49 49 LYS H H 49 7.287 7.287 8.171 -0.884 25919 904 1 2 . 1 1 50 50 THR N N 50 114.691 114.691 113.724 0.967 25919 905 1 2 . 1 1 50 50 THR HA H 50 4.628 4.628 4.806 -0.178 25919 906 1 2 . 1 1 50 50 THR CA C 50 63.920 63.920 61.843 2.077 25919 907 1 2 . 1 1 50 50 THR CB C 50 71.365 71.365 71.684 -0.319 25919 908 1 2 . 1 1 50 50 THR H H 50 8.064 8.064 8.116 -0.052 25919 909 1 2 . 1 1 51 51 LYS N N 51 120.273 120.273 121.498 -1.225 25919 910 1 2 . 1 1 51 51 LYS HA H 51 4.570 4.570 4.981 -0.411 25919 911 1 2 . 1 1 51 51 LYS CA C 51 54.997 54.997 55.749 -0.752 25919 912 1 2 . 1 1 51 51 LYS CB C 51 32.700 32.700 36.555 -3.855 25919 913 1 2 . 1 1 51 51 LYS H H 51 7.192 7.192 7.764 -0.572 25919 914 1 2 . 1 1 52 52 PHE N N 52 121.816 121.816 118.540 3.276 25919 915 1 2 . 1 1 52 52 PHE HA H 52 5.503 5.503 5.008 0.495 25919 916 1 2 . 1 1 52 52 PHE CA C 52 56.104 56.104 56.385 -0.281 25919 917 1 2 . 1 1 52 52 PHE CB C 52 43.188 43.188 41.320 1.868 25919 918 1 2 . 1 1 52 52 PHE H H 52 9.466 9.466 8.936 0.530 25919 919 1 2 . 1 1 53 53 LEU N N 53 120.846 120.846 125.420 -4.574 25919 920 1 2 . 1 1 53 53 LEU HA H 53 5.135 5.135 4.871 0.264 25919 921 1 2 . 1 1 53 53 LEU C C 53 175.042 175.042 176.507 -1.465 25919 922 1 2 . 1 1 53 53 LEU CA C 53 52.916 52.916 53.939 -1.023 25919 923 1 2 . 1 1 53 53 LEU CB C 53 45.242 45.242 41.075 4.167 25919 924 1 2 . 1 1 53 53 LEU H H 53 8.608 8.608 8.734 -0.126 25919 925 1 2 . 1 1 54 54 VAL N N 54 123.773 123.773 123.749 0.024 25919 926 1 2 . 1 1 54 54 VAL HA H 54 4.755 4.755 4.324 0.431 25919 927 1 2 . 1 1 54 54 VAL CA C 54 58.622 58.622 59.709 -1.087 25919 928 1 2 . 1 1 54 54 VAL CB C 54 35.150 35.150 31.995 3.155 25919 929 1 2 . 1 1 54 54 VAL H H 54 8.801 8.801 8.611 0.190 25919 930 1 2 . 1 1 55 55 PRO HA H 55 4.435 4.435 4.506 -0.071 25919 931 1 2 . 1 1 55 55 PRO C C 55 176.427 176.427 177.905 -1.478 25919 932 1 2 . 1 1 55 55 PRO CA C 55 64.298 64.298 63.100 1.198 25919 933 1 2 . 1 1 55 55 PRO CB C 55 32.822 32.822 31.942 0.880 25919 934 1 2 . 1 1 56 56 ASP N N 56 121.214 121.214 124.673 -3.459 25919 935 1 2 . 1 1 56 56 ASP HA H 56 3.880 3.880 4.251 -0.371 25919 936 1 2 . 1 1 56 56 ASP CA C 56 56.742 56.742 57.386 -0.644 25919 937 1 2 . 1 1 56 56 ASP CB C 56 40.481 40.481 40.266 0.215 25919 938 1 2 . 1 1 56 56 ASP H H 56 8.336 8.336 8.829 -0.493 25919 939 1 2 . 1 1 57 57 HIS N N 57 114.277 114.277 117.142 -2.865 25919 940 1 2 . 1 1 57 57 HIS HA H 57 4.772 4.772 4.450 0.322 25919 941 1 2 . 1 1 57 57 HIS C C 57 174.806 174.806 175.917 -1.111 25919 942 1 2 . 1 1 57 57 HIS CA C 57 55.688 55.688 57.646 -1.958 25919 943 1 2 . 1 1 57 57 HIS CB C 57 30.450 30.450 29.623 0.827 25919 944 1 2 . 1 1 57 57 HIS H H 57 7.464 7.464 8.316 -0.852 25919 945 1 2 . 1 1 58 58 VAL N N 58 123.531 123.531 120.971 2.560 25919 946 1 2 . 1 1 58 58 VAL HA H 58 3.909 3.909 3.939 -0.030 25919 947 1 2 . 1 1 58 58 VAL C C 58 177.148 177.148 175.345 1.803 25919 948 1 2 . 1 1 58 58 VAL CA C 58 62.900 62.900 63.391 -0.491 25919 949 1 2 . 1 1 58 58 VAL CB C 58 32.320 32.320 31.789 0.531 25919 950 1 2 . 1 1 58 58 VAL H H 58 7.261 7.261 7.927 -0.666 25919 951 1 2 . 1 1 59 59 ASN N N 59 124.147 124.147 125.344 -1.197 25919 952 1 2 . 1 1 59 59 ASN HA H 59 5.174 5.174 5.044 0.130 25919 953 1 2 . 1 1 59 59 ASN C C 59 175.176 175.176 176.189 -1.013 25919 954 1 2 . 1 1 59 59 ASN CA C 59 51.374 51.374 52.783 -1.409 25919 955 1 2 . 1 1 59 59 ASN CB C 59 40.038 40.038 40.089 -0.051 25919 956 1 2 . 1 1 59 59 ASN H H 59 8.819 8.819 9.136 -0.317 25919 957 1 2 . 1 1 60 60 MET N N 60 117.583 117.583 122.274 -4.691 25919 958 1 2 . 1 1 60 60 MET HA H 60 4.425 4.425 4.168 0.257 25919 959 1 2 . 1 1 60 60 MET CA C 60 57.271 57.271 58.493 -1.222 25919 960 1 2 . 1 1 60 60 MET CB C 60 30.063 30.063 32.626 -2.563 25919 961 1 2 . 1 1 60 60 MET H H 60 8.023 8.023 8.955 -0.932 25919 962 1 2 . 1 1 61 61 SER N N 61 115.027 115.027 114.062 0.965 25919 963 1 2 . 1 1 61 61 SER HA H 61 4.138 4.138 4.065 0.073 25919 964 1 2 . 1 1 61 61 SER C C 61 178.809 178.809 176.195 2.614 25919 965 1 2 . 1 1 61 61 SER CA C 61 61.553 61.553 61.958 -0.405 25919 966 1 2 . 1 1 61 61 SER CB C 61 62.581 62.581 62.273 0.308 25919 967 1 2 . 1 1 61 61 SER H H 61 8.350 8.350 8.646 -0.296 25919 968 1 2 . 1 1 62 62 GLU N N 62 123.657 123.657 121.852 1.805 25919 969 1 2 . 1 1 62 62 GLU HA H 62 3.979 3.979 4.096 -0.117 25919 970 1 2 . 1 1 62 62 GLU C C 62 176.456 176.456 178.842 -2.386 25919 971 1 2 . 1 1 62 62 GLU CA C 62 58.726 58.726 58.546 0.180 25919 972 1 2 . 1 1 62 62 GLU CB C 62 29.700 29.700 29.034 0.666 25919 973 1 2 . 1 1 62 62 GLU H H 62 7.994 7.994 8.390 -0.396 25919 974 1 2 . 1 1 63 63 LEU N N 63 121.225 121.225 121.837 -0.612 25919 975 1 2 . 1 1 63 63 LEU HA H 63 3.949 3.949 3.902 0.047 25919 976 1 2 . 1 1 63 63 LEU C C 63 178.113 178.113 178.559 -0.446 25919 977 1 2 . 1 1 63 63 LEU CA C 63 57.860 57.860 57.893 -0.033 25919 978 1 2 . 1 1 63 63 LEU CB C 63 41.526 41.526 41.782 -0.257 25919 979 1 2 . 1 1 63 63 LEU H H 63 8.223 8.223 8.061 0.162 25919 980 1 2 . 1 1 64 64 ILE N N 64 119.273 119.273 119.208 0.065 25919 981 1 2 . 1 1 64 64 ILE HA H 64 3.375 3.375 3.519 -0.144 25919 982 1 2 . 1 1 64 64 ILE CA C 64 66.723 66.723 65.813 0.910 25919 983 1 2 . 1 1 64 64 ILE CB C 64 38.161 38.161 37.622 0.539 25919 984 1 2 . 1 1 64 64 ILE H H 64 8.301 8.301 8.047 0.254 25919 985 1 2 . 1 1 65 65 LYS N N 65 119.143 119.143 119.919 -0.776 25919 986 1 2 . 1 1 65 65 LYS HA H 65 3.703 3.703 3.956 -0.253 25919 987 1 2 . 1 1 65 65 LYS C C 65 173.869 173.869 179.128 -5.259 25919 988 1 2 . 1 1 65 65 LYS CA C 65 60.451 60.451 59.769 0.682 25919 989 1 2 . 1 1 65 65 LYS CB C 65 32.300 32.300 32.316 -0.016 25919 990 1 2 . 1 1 65 65 LYS H H 65 7.300 7.300 8.026 -0.726 25919 991 1 2 . 1 1 66 66 ILE N N 66 120.527 120.527 121.376 -0.849 25919 992 1 2 . 1 1 66 66 ILE HA H 66 3.541 3.541 3.751 -0.210 25919 993 1 2 . 1 1 66 66 ILE C C 66 176.459 176.459 177.411 -0.952 25919 994 1 2 . 1 1 66 66 ILE CA C 66 65.290 65.290 64.292 0.998 25919 995 1 2 . 1 1 66 66 ILE CB C 66 38.254 38.254 37.825 0.429 25919 996 1 2 . 1 1 66 66 ILE H H 66 8.048 8.048 8.119 -0.071 25919 997 1 2 . 1 1 67 67 ILE N N 67 121.527 121.527 120.577 0.950 25919 998 1 2 . 1 1 67 67 ILE HA H 67 3.336 3.336 3.655 -0.319 25919 999 1 2 . 1 1 67 67 ILE C C 67 178.102 178.102 178.126 -0.024 25919 1000 1 2 . 1 1 67 67 ILE CA C 67 63.952 63.952 63.881 0.071 25919 1001 1 2 . 1 1 67 67 ILE CB C 67 35.891 35.891 36.440 -0.549 25919 1002 1 2 . 1 1 67 67 ILE H H 67 8.308 8.308 7.641 0.667 25919 1003 1 2 . 1 1 68 68 ARG N N 68 119.384 119.384 120.453 -1.069 25919 1004 1 2 . 1 1 68 68 ARG HA H 68 2.970 2.970 3.495 -0.525 25919 1005 1 2 . 1 1 68 68 ARG C C 68 172.723 172.723 177.705 -4.982 25919 1006 1 2 . 1 1 68 68 ARG CA C 68 60.704 60.704 59.542 1.162 25919 1007 1 2 . 1 1 68 68 ARG CB C 68 30.320 30.320 30.292 0.028 25919 1008 1 2 . 1 1 68 68 ARG H H 68 8.336 8.336 8.489 -0.153 25919 1009 1 2 . 1 1 69 69 ARG N N 69 117.648 117.648 117.041 0.607 25919 1010 1 2 . 1 1 69 69 ARG HA H 69 4.138 4.138 4.087 0.051 25919 1011 1 2 . 1 1 69 69 ARG C C 69 172.480 172.480 178.649 -6.169 25919 1012 1 2 . 1 1 69 69 ARG CA C 69 58.645 58.645 57.879 0.766 25919 1013 1 2 . 1 1 69 69 ARG CB C 69 29.779 29.779 29.921 -0.142 25919 1014 1 2 . 1 1 69 69 ARG H H 69 7.432 7.432 7.917 -0.485 25919 1015 1 2 . 1 1 70 70 ARG N N 70 124.006 124.006 118.027 5.979 25919 1016 1 2 . 1 1 70 70 ARG HA H 70 4.074 4.074 4.124 -0.050 25919 1017 1 2 . 1 1 70 70 ARG C C 70 178.799 178.799 177.560 1.239 25919 1018 1 2 . 1 1 70 70 ARG CA C 70 58.385 58.385 57.583 0.802 25919 1019 1 2 . 1 1 70 70 ARG CB C 70 30.043 30.043 30.333 -0.290 25919 1020 1 2 . 1 1 70 70 ARG H H 70 8.212 8.212 7.900 0.312 25919 1021 1 2 . 1 1 71 71 LEU N N 71 117.764 117.764 120.493 -2.729 25919 1022 1 2 . 1 1 71 71 LEU HA H 71 4.085 4.085 4.140 -0.055 25919 1023 1 2 . 1 1 71 71 LEU CA C 71 55.063 55.063 54.353 0.710 25919 1024 1 2 . 1 1 71 71 LEU CB C 71 43.100 43.100 42.023 1.077 25919 1025 1 2 . 1 1 71 71 LEU H H 71 7.750 7.750 7.832 -0.082 25919 1026 1 2 . 1 1 72 72 GLN N N 72 115.522 115.522 121.739 -6.217 25919 1027 1 2 . 1 1 72 72 GLN HA H 72 3.839 3.839 4.121 -0.282 25919 1028 1 2 . 1 1 72 72 GLN C C 72 175.744 175.744 175.242 0.502 25919 1029 1 2 . 1 1 72 72 GLN CA C 72 56.409 56.409 56.444 -0.035 25919 1030 1 2 . 1 1 72 72 GLN CB C 72 25.959 25.959 27.751 -1.792 25919 1031 1 2 . 1 1 72 72 GLN H H 72 7.751 7.751 8.382 -0.631 25919 1032 1 2 . 1 1 73 73 LEU N N 73 115.900 115.900 124.475 -8.575 25919 1033 1 2 . 1 1 73 73 LEU HA H 73 4.254 4.254 4.619 -0.365 25919 1034 1 2 . 1 1 73 73 LEU C C 73 178.568 178.568 175.137 3.431 25919 1035 1 2 . 1 1 73 73 LEU CA C 73 54.468 54.468 53.942 0.526 25919 1036 1 2 . 1 1 73 73 LEU CB C 73 42.050 42.050 44.681 -2.631 25919 1037 1 2 . 1 1 73 73 LEU H H 73 7.573 7.573 7.868 -0.295 25919 1038 1 2 . 1 1 74 74 ASN N N 74 122.154 122.154 117.972 4.182 25919 1039 1 2 . 1 1 74 74 ASN HA H 74 4.684 4.684 4.858 -0.174 25919 1040 1 2 . 1 1 74 74 ASN C C 74 174.122 174.122 175.831 -1.709 25919 1041 1 2 . 1 1 74 74 ASN CA C 74 52.724 52.724 52.496 0.228 25919 1042 1 2 . 1 1 74 74 ASN CB C 74 39.579 39.579 40.361 -0.782 25919 1043 1 2 . 1 1 74 74 ASN H H 74 8.949 8.949 8.169 0.780 25919 1044 1 2 . 1 1 75 75 ALA N N 75 124.274 124.274 123.657 0.617 25919 1045 1 2 . 1 1 75 75 ALA HA H 75 3.972 3.972 4.112 -0.140 25919 1046 1 2 . 1 1 75 75 ALA C C 75 178.113 178.113 178.159 -0.046 25919 1047 1 2 . 1 1 75 75 ALA CA C 75 54.900 54.900 54.623 0.277 25919 1048 1 2 . 1 1 75 75 ALA CB C 75 18.708 18.708 18.896 -0.188 25919 1049 1 2 . 1 1 75 75 ALA H H 75 8.690 8.690 8.538 0.152 25919 1050 1 2 . 1 1 76 76 ASN N N 76 112.911 112.911 114.835 -1.924 25919 1051 1 2 . 1 1 76 76 ASN HA H 76 4.589 4.589 4.643 -0.054 25919 1052 1 2 . 1 1 76 76 ASN C C 76 175.515 175.515 175.408 0.107 25919 1053 1 2 . 1 1 76 76 ASN CA C 76 53.276 53.276 53.957 -0.681 25919 1054 1 2 . 1 1 76 76 ASN CB C 76 38.343 38.343 38.633 -0.290 25919 1055 1 2 . 1 1 76 76 ASN H H 76 8.340 8.340 8.088 0.252 25919 1056 1 2 . 1 1 77 77 GLN N N 77 121.144 121.144 120.213 0.931 25919 1057 1 2 . 1 1 77 77 GLN HA H 77 4.287 4.287 4.415 -0.128 25919 1058 1 2 . 1 1 77 77 GLN C C 77 175.053 175.053 175.197 -0.144 25919 1059 1 2 . 1 1 77 77 GLN CA C 77 55.856 55.856 55.260 0.596 25919 1060 1 2 . 1 1 77 77 GLN CB C 77 30.320 30.320 29.944 0.376 25919 1061 1 2 . 1 1 77 77 GLN H H 77 7.546 7.546 7.531 0.015 25919 1062 1 2 . 1 1 78 78 ALA N N 78 131.146 131.146 129.048 2.098 25919 1063 1 2 . 1 1 78 78 ALA HA H 78 4.179 4.179 4.399 -0.220 25919 1064 1 2 . 1 1 78 78 ALA C C 78 176.453 176.453 176.156 0.297 25919 1065 1 2 . 1 1 78 78 ALA CA C 78 52.852 52.852 52.045 0.807 25919 1066 1 2 . 1 1 78 78 ALA CB C 78 20.074 20.074 19.387 0.687 25919 1067 1 2 . 1 1 78 78 ALA H H 78 8.730 8.730 8.478 0.252 25919 1068 1 2 . 1 1 79 79 PHE N N 79 119.860 119.860 126.046 -6.186 25919 1069 1 2 . 1 1 79 79 PHE HA H 79 4.453 4.453 5.356 -0.903 25919 1070 1 2 . 1 1 79 79 PHE C C 79 171.834 171.834 172.613 -0.779 25919 1071 1 2 . 1 1 79 79 PHE CA C 79 59.115 59.115 57.374 1.740 25919 1072 1 2 . 1 1 79 79 PHE CB C 79 42.246 42.246 42.332 -0.086 25919 1073 1 2 . 1 1 79 79 PHE H H 79 7.601 7.601 8.352 -0.751 25919 1074 1 2 . 1 1 80 80 PHE N N 80 126.800 126.800 124.623 2.177 25919 1075 1 2 . 1 1 80 80 PHE HA H 80 4.396 4.396 4.522 -0.126 25919 1076 1 2 . 1 1 80 80 PHE C C 80 173.169 173.169 172.872 0.297 25919 1077 1 2 . 1 1 80 80 PHE CA C 80 56.859 56.859 56.495 0.365 25919 1078 1 2 . 1 1 80 80 PHE CB C 80 41.946 41.946 43.272 -1.326 25919 1079 1 2 . 1 1 80 80 PHE H H 80 8.504 8.504 8.812 -0.308 25919 1080 1 2 . 1 1 81 81 LEU N N 81 122.590 122.590 125.619 -3.029 25919 1081 1 2 . 1 1 81 81 LEU HA H 81 4.902 4.902 4.643 0.259 25919 1082 1 2 . 1 1 81 81 LEU CA C 81 53.108 53.108 54.314 -1.206 25919 1083 1 2 . 1 1 81 81 LEU CB C 81 45.781 45.781 42.734 3.047 25919 1084 1 2 . 1 1 81 81 LEU H H 81 8.159 8.159 8.436 -0.277 25919 1085 1 2 . 1 1 82 82 LEU N N 82 126.414 126.414 126.867 -0.453 25919 1086 1 2 . 1 1 82 82 LEU HA H 82 4.807 4.807 4.988 -0.181 25919 1087 1 2 . 1 1 82 82 LEU C C 82 174.204 174.204 175.795 -1.591 25919 1088 1 2 . 1 1 82 82 LEU CA C 82 54.200 54.200 53.181 1.018 25919 1089 1 2 . 1 1 82 82 LEU CB C 82 43.650 43.650 44.576 -0.926 25919 1090 1 2 . 1 1 82 82 LEU H H 82 9.347 9.347 9.277 0.070 25919 1091 1 2 . 1 1 83 83 VAL N N 83 123.910 123.910 119.092 4.818 25919 1092 1 2 . 1 1 83 83 VAL HA H 83 4.466 4.466 4.913 -0.447 25919 1093 1 2 . 1 1 83 83 VAL C C 83 175.891 175.891 176.448 -0.557 25919 1094 1 2 . 1 1 83 83 VAL CA C 83 61.339 61.339 59.683 1.656 25919 1095 1 2 . 1 1 83 83 VAL CB C 83 34.013 34.013 33.227 0.786 25919 1096 1 2 . 1 1 83 83 VAL H H 83 8.676 8.676 9.054 -0.378 25919 1097 1 2 . 1 1 84 84 ASN N N 84 127.149 127.149 127.521 -0.372 25919 1098 1 2 . 1 1 84 84 ASN HA H 84 4.384 4.384 4.496 -0.112 25919 1099 1 2 . 1 1 84 84 ASN CA C 84 54.494 54.494 54.387 0.107 25919 1100 1 2 . 1 1 84 84 ASN CB C 84 37.933 37.933 37.755 0.178 25919 1101 1 2 . 1 1 84 84 ASN H H 84 9.630 9.630 9.408 0.222 25919 1102 1 2 . 1 1 85 85 GLY N N 85 101.905 101.905 102.690 -0.785 25919 1103 1 2 . 1 1 85 85 GLY C C 85 175.112 175.112 173.058 2.054 25919 1104 1 2 . 1 1 85 85 GLY CA C 85 45.624 45.624 45.486 0.138 25919 1105 1 2 . 1 1 85 85 GLY H H 85 8.670 8.670 8.685 -0.015 25919 1106 1 2 . 1 1 86 86 HIS N N 86 117.905 117.905 119.425 -1.520 25919 1107 1 2 . 1 1 86 86 HIS HA H 86 5.039 5.039 4.877 0.162 25919 1108 1 2 . 1 1 86 86 HIS CA C 86 53.890 53.890 54.068 -0.178 25919 1109 1 2 . 1 1 86 86 HIS CB C 86 30.888 30.888 32.857 -1.969 25919 1110 1 2 . 1 1 86 86 HIS H H 86 7.927 7.927 7.959 -0.032 25919 1111 1 2 . 1 1 87 87 SER N N 87 118.646 118.646 118.519 0.127 25919 1112 1 2 . 1 1 87 87 SER HA H 87 4.397 4.397 4.217 0.180 25919 1113 1 2 . 1 1 87 87 SER C C 87 175.275 175.275 174.201 1.074 25919 1114 1 2 . 1 1 87 87 SER CA C 87 58.414 58.414 58.568 -0.154 25919 1115 1 2 . 1 1 87 87 SER CB C 87 63.772 63.772 63.559 0.214 25919 1116 1 2 . 1 1 87 87 SER H H 87 8.927 8.927 7.994 0.933 25919 1117 1 2 . 1 1 88 88 MET N N 88 126.013 126.013 123.270 2.743 25919 1118 1 2 . 1 1 88 88 MET HA H 88 4.851 4.851 4.772 0.079 25919 1119 1 2 . 1 1 88 88 MET C C 88 178.796 178.796 176.907 1.889 25919 1120 1 2 . 1 1 88 88 MET CA C 88 54.727 54.727 53.867 0.860 25919 1121 1 2 . 1 1 88 88 MET CB C 88 33.309 33.309 32.630 0.679 25919 1122 1 2 . 1 1 88 88 MET H H 88 9.088 9.088 8.616 0.472 25919 1123 1 2 . 1 1 89 89 VAL N N 89 121.153 121.153 122.616 -1.463 25919 1124 1 2 . 1 1 89 89 VAL HA H 89 4.057 4.057 3.762 0.295 25919 1125 1 2 . 1 1 89 89 VAL C C 89 176.695 176.695 177.558 -0.863 25919 1126 1 2 . 1 1 89 89 VAL CA C 89 63.592 63.592 65.869 -2.277 25919 1127 1 2 . 1 1 89 89 VAL CB C 89 32.422 32.422 31.133 1.289 25919 1128 1 2 . 1 1 89 89 VAL H H 89 8.144 8.144 7.857 0.287 25919 1129 1 2 . 1 1 90 90 SER N N 90 116.778 116.778 112.576 4.202 25919 1130 1 2 . 1 1 90 90 SER HA H 90 4.561 4.561 4.429 0.132 25919 1131 1 2 . 1 1 90 90 SER C C 90 173.898 173.898 174.845 -0.947 25919 1132 1 2 . 1 1 90 90 SER CA C 90 57.895 57.895 58.831 -0.936 25919 1133 1 2 . 1 1 90 90 SER CB C 90 63.133 63.133 63.573 -0.440 25919 1134 1 2 . 1 1 90 90 SER H H 90 8.322 8.322 8.333 -0.011 25919 1135 1 2 . 1 1 91 91 VAL N N 91 120.735 120.735 121.685 -0.950 25919 1136 1 2 . 1 1 91 91 VAL HA H 91 4.286 4.286 4.284 0.002 25919 1137 1 2 . 1 1 91 91 VAL CA C 91 62.846 62.846 61.119 1.727 25919 1138 1 2 . 1 1 91 91 VAL CB C 91 32.069 32.069 34.609 -2.540 25919 1139 1 2 . 1 1 91 91 VAL H H 91 8.036 8.036 7.505 0.531 25919 1140 1 2 . 1 1 92 92 SER N N 92 118.146 118.146 119.928 -1.782 25919 1141 1 2 . 1 1 92 92 SER HA H 92 4.549 4.549 4.555 -0.006 25919 1142 1 2 . 1 1 92 92 SER CA C 92 57.813 57.813 57.814 -0.001 25919 1143 1 2 . 1 1 92 92 SER CB C 92 63.488 63.488 63.592 -0.104 25919 1144 1 2 . 1 1 92 92 SER H H 92 8.470 8.470 8.429 0.041 25919 1145 1 2 . 1 1 93 93 THR N N 93 119.747 119.747 118.732 1.015 25919 1146 1 2 . 1 1 93 93 THR HA H 93 4.467 4.467 4.456 0.011 25919 1147 1 2 . 1 1 93 93 THR CA C 93 61.005 61.005 62.941 -1.937 25919 1148 1 2 . 1 1 93 93 THR CB C 93 70.592 70.592 68.946 1.646 25919 1149 1 2 . 1 1 93 93 THR H H 93 7.382 7.382 7.797 -0.415 25919 1150 1 2 . 1 1 94 94 PRO HA H 94 4.424 4.424 4.439 -0.015 25919 1151 1 2 . 1 1 94 94 PRO CA C 94 63.060 63.060 63.343 -0.283 25919 1152 1 2 . 1 1 94 94 PRO CB C 94 32.798 32.798 32.090 0.708 25919 1153 1 2 . 1 1 95 95 ILE N N 95 124.894 124.894 125.344 -0.450 25919 1154 1 2 . 1 1 95 95 ILE HA H 95 3.984 3.984 3.879 0.105 25919 1155 1 2 . 1 1 95 95 ILE CA C 95 63.963 63.963 62.355 1.608 25919 1156 1 2 . 1 1 95 95 ILE CB C 95 38.200 38.200 38.204 -0.004 25919 1157 1 2 . 1 1 95 95 ILE H H 95 9.358 9.358 8.564 0.794 25919 1158 1 2 . 1 1 96 96 SER N N 96 117.523 117.523 115.558 1.965 25919 1159 1 2 . 1 1 96 96 SER HA H 96 4.004 4.004 4.087 -0.083 25919 1160 1 2 . 1 1 96 96 SER CA C 96 61.700 61.700 62.044 -0.344 25919 1161 1 2 . 1 1 96 96 SER CB C 96 61.400 61.400 62.843 -1.443 25919 1162 1 2 . 1 1 96 96 SER H H 96 8.202 8.202 8.077 0.125 25919 1163 1 2 . 1 1 97 97 GLU N N 97 123.657 123.657 122.406 1.251 25919 1164 1 2 . 1 1 97 97 GLU HA H 97 4.282 4.282 4.200 0.082 25919 1165 1 2 . 1 1 97 97 GLU CA C 97 58.700 58.700 59.081 -0.381 25919 1166 1 2 . 1 1 97 97 GLU CB C 97 29.800 29.800 29.212 0.588 25919 1167 1 2 . 1 1 97 97 GLU H H 97 7.301 7.301 7.750 -0.449 25919 1168 1 2 . 1 1 98 98 VAL N N 98 121.907 121.907 121.253 0.654 25919 1169 1 2 . 1 1 98 98 VAL HA H 98 3.797 3.797 3.828 -0.031 25919 1170 1 2 . 1 1 98 98 VAL CA C 98 65.949 65.949 66.689 -0.740 25919 1171 1 2 . 1 1 98 98 VAL CB C 98 32.186 32.186 31.452 0.734 25919 1172 1 2 . 1 1 98 98 VAL H H 98 7.410 7.410 7.836 -0.426 25919 1173 1 2 . 1 1 99 99 TYR N N 99 119.526 119.526 121.951 -2.425 25919 1174 1 2 . 1 1 99 99 TYR HA H 99 4.016 4.016 4.012 0.004 25919 1175 1 2 . 1 1 99 99 TYR C C 99 175.741 175.741 177.320 -1.579 25919 1176 1 2 . 1 1 99 99 TYR CA C 99 62.229 62.229 62.261 -0.032 25919 1177 1 2 . 1 1 99 99 TYR CB C 99 38.967 38.967 38.670 0.297 25919 1178 1 2 . 1 1 99 99 TYR H H 99 9.071 9.071 8.341 0.730 25919 1179 1 2 . 1 1 100 100 GLU N N 100 114.405 114.405 116.235 -1.830 25919 1180 1 2 . 1 1 100 100 GLU HA H 100 3.850 3.850 3.838 0.012 25919 1181 1 2 . 1 1 100 100 GLU C C 100 178.094 178.094 178.102 -0.008 25919 1182 1 2 . 1 1 100 100 GLU CA C 100 58.920 58.920 58.736 0.184 25919 1183 1 2 . 1 1 100 100 GLU CB C 100 29.481 29.481 29.624 -0.143 25919 1184 1 2 . 1 1 100 100 GLU H H 100 7.342 7.342 8.427 -1.085 25919 1185 1 2 . 1 1 101 101 SER N N 101 109.656 109.656 112.552 -2.896 25919 1186 1 2 . 1 1 101 101 SER HA H 101 4.529 4.529 4.390 0.139 25919 1187 1 2 . 1 1 101 101 SER C C 101 176.681 176.681 175.485 1.196 25919 1188 1 2 . 1 1 101 101 SER CA C 101 60.313 60.313 60.329 -0.016 25919 1189 1 2 . 1 1 101 101 SER CB C 101 64.703 64.703 64.249 0.454 25919 1190 1 2 . 1 1 101 101 SER H H 101 7.410 7.410 7.754 -0.344 25919 1191 1 2 . 1 1 102 102 GLU N N 102 117.283 117.283 119.933 -2.650 25919 1192 1 2 . 1 1 102 102 GLU HA H 102 4.721 4.721 4.612 0.109 25919 1193 1 2 . 1 1 102 102 GLU CA C 102 55.592 55.592 55.341 0.251 25919 1194 1 2 . 1 1 102 102 GLU CB C 102 30.564 30.564 30.700 -0.136 25919 1195 1 2 . 1 1 102 102 GLU H H 102 8.500 8.500 7.709 0.791 25919 1196 1 2 . 1 1 103 103 LYS N N 103 118.772 118.772 121.667 -2.895 25919 1197 1 2 . 1 1 103 103 LYS HA H 103 4.179 4.179 4.158 0.021 25919 1198 1 2 . 1 1 103 103 LYS C C 103 175.032 175.032 175.954 -0.922 25919 1199 1 2 . 1 1 103 103 LYS CA C 103 57.154 57.154 57.086 0.068 25919 1200 1 2 . 1 1 103 103 LYS CB C 103 32.238 32.238 32.691 -0.453 25919 1201 1 2 . 1 1 103 103 LYS H H 103 7.777 7.777 7.654 0.123 25919 1202 1 2 . 1 1 104 104 ASP N N 104 124.024 124.024 126.739 -2.715 25919 1203 1 2 . 1 1 104 104 ASP HA H 104 5.032 5.032 4.831 0.201 25919 1204 1 2 . 1 1 104 104 ASP C C 104 177.548 177.548 177.530 0.018 25919 1205 1 2 . 1 1 104 104 ASP CA C 104 53.882 53.882 52.473 1.409 25919 1206 1 2 . 1 1 104 104 ASP CB C 104 43.420 43.420 42.856 0.564 25919 1207 1 2 . 1 1 104 104 ASP H H 104 9.030 9.030 8.821 0.209 25919 1208 1 2 . 1 1 105 105 GLU N N 105 125.669 125.669 119.377 6.292 25919 1209 1 2 . 1 1 105 105 GLU HA H 105 4.179 4.179 4.238 -0.059 25919 1210 1 2 . 1 1 105 105 GLU CA C 105 59.526 59.526 58.870 0.656 25919 1211 1 2 . 1 1 105 105 GLU CB C 105 30.036 30.036 29.488 0.548 25919 1212 1 2 . 1 1 105 105 GLU H H 105 8.894 8.894 9.047 -0.153 25919 1213 1 2 . 1 1 106 106 ASP N N 106 119.257 119.257 114.453 4.804 25919 1214 1 2 . 1 1 106 106 ASP HA H 106 4.180 4.180 4.598 -0.418 25919 1215 1 2 . 1 1 106 106 ASP C C 106 176.018 176.018 177.220 -1.202 25919 1216 1 2 . 1 1 106 106 ASP CA C 106 54.750 54.750 53.785 0.965 25919 1217 1 2 . 1 1 106 106 ASP CB C 106 40.250 40.250 40.581 -0.331 25919 1218 1 2 . 1 1 106 106 ASP H H 106 9.838 9.838 8.285 1.553 25919 1219 1 2 . 1 1 107 107 GLY N N 107 106.307 106.307 106.946 -0.639 25919 1220 1 2 . 1 1 107 107 GLY CA C 107 45.125 45.125 45.517 -0.392 25919 1221 1 2 . 1 1 107 107 GLY H H 107 7.945 7.945 8.170 -0.225 25919 1222 1 2 . 1 1 108 108 PHE N N 108 124.389 124.389 119.686 4.703 25919 1223 1 2 . 1 1 108 108 PHE HA H 108 4.670 4.670 5.339 -0.669 25919 1224 1 2 . 1 1 108 108 PHE C C 108 179.501 179.501 174.933 4.568 25919 1225 1 2 . 1 1 108 108 PHE CA C 108 60.288 60.288 57.647 2.641 25919 1226 1 2 . 1 1 108 108 PHE CB C 108 40.506 40.506 41.330 -0.824 25919 1227 1 2 . 1 1 108 108 PHE H H 108 9.739 9.739 8.836 0.903 25919 1228 1 2 . 1 1 109 109 LEU N N 109 120.814 120.814 122.158 -1.344 25919 1229 1 2 . 1 1 109 109 LEU HA H 109 5.038 5.038 4.696 0.342 25919 1230 1 2 . 1 1 109 109 LEU CA C 109 53.479 53.479 53.950 -0.471 25919 1231 1 2 . 1 1 109 109 LEU CB C 109 45.197 45.197 43.999 1.198 25919 1232 1 2 . 1 1 109 109 LEU H H 109 7.968 7.968 9.019 -1.051 25919 1233 1 2 . 1 1 110 110 TYR N N 110 127.403 127.403 126.243 1.160 25919 1234 1 2 . 1 1 110 110 TYR HA H 110 4.907 4.907 4.711 0.196 25919 1235 1 2 . 1 1 110 110 TYR CA C 110 59.259 59.259 58.248 1.010 25919 1236 1 2 . 1 1 110 110 TYR CB C 110 39.469 39.469 39.500 -0.031 25919 1237 1 2 . 1 1 110 110 TYR H H 110 9.349 9.349 8.158 1.191 25919 1238 1 2 . 1 1 111 111 MET N N 111 120.344 120.344 122.685 -2.341 25919 1239 1 2 . 1 1 111 111 MET HA H 111 5.543 5.543 5.612 -0.069 25919 1240 1 2 . 1 1 111 111 MET CA C 111 54.341 54.341 54.400 -0.059 25919 1241 1 2 . 1 1 111 111 MET CB C 111 36.894 36.894 36.685 0.209 25919 1242 1 2 . 1 1 111 111 MET H H 111 9.575 9.575 9.027 0.548 25919 1243 1 2 . 1 1 112 112 VAL N N 112 121.026 121.026 116.835 4.191 25919 1244 1 2 . 1 1 112 112 VAL HA H 112 5.938 5.938 5.488 0.450 25919 1245 1 2 . 1 1 112 112 VAL C C 112 176.696 176.696 173.770 2.926 25919 1246 1 2 . 1 1 112 112 VAL CA C 112 59.068 59.068 59.143 -0.075 25919 1247 1 2 . 1 1 112 112 VAL CB C 112 36.180 36.180 35.872 0.308 25919 1248 1 2 . 1 1 112 112 VAL H H 112 8.730 8.730 9.092 -0.362 25919 1249 1 2 . 1 1 113 113 TYR N N 113 119.995 119.995 117.557 2.438 25919 1250 1 2 . 1 1 113 113 TYR HA H 113 6.143 6.143 5.742 0.401 25919 1251 1 2 . 1 1 113 113 TYR C C 113 173.533 173.533 173.249 0.284 25919 1252 1 2 . 1 1 113 113 TYR CA C 113 54.165 54.165 55.373 -1.208 25919 1253 1 2 . 1 1 113 113 TYR CB C 113 43.667 43.667 41.887 1.780 25919 1254 1 2 . 1 1 113 113 TYR H H 113 8.172 8.172 8.581 -0.409 25919 1255 1 2 . 1 1 114 114 ALA N N 114 120.454 120.454 123.698 -3.244 25919 1256 1 2 . 1 1 114 114 ALA HA H 114 4.750 4.750 5.040 -0.290 25919 1257 1 2 . 1 1 114 114 ALA C C 114 176.007 176.007 176.416 -0.409 25919 1258 1 2 . 1 1 114 114 ALA CA C 114 51.356 51.356 50.999 0.357 25919 1259 1 2 . 1 1 114 114 ALA CB C 114 24.623 24.623 22.373 2.249 25919 1260 1 2 . 1 1 114 114 ALA H H 114 8.499 8.499 8.665 -0.166 25919 1261 1 2 . 1 1 115 115 SER N N 115 115.279 115.279 113.302 1.977 25919 1262 1 2 . 1 1 115 115 SER HA H 115 4.505 4.505 4.707 -0.202 25919 1263 1 2 . 1 1 115 115 SER C C 115 172.860 172.860 174.153 -1.293 25919 1264 1 2 . 1 1 115 115 SER CA C 115 58.837 58.837 59.134 -0.297 25919 1265 1 2 . 1 1 115 115 SER CB C 115 63.798 63.798 62.778 1.020 25919 1266 1 2 . 1 1 115 115 SER H H 115 9.823 9.823 9.088 0.735 25919 1267 1 2 . 1 1 116 116 GLN N N 116 117.398 117.398 117.947 -0.549 25919 1268 1 2 . 1 1 116 116 GLN HA H 116 4.453 4.453 4.401 0.052 25919 1269 1 2 . 1 1 116 116 GLN C C 116 173.181 173.181 174.038 -0.857 25919 1270 1 2 . 1 1 116 116 GLN CA C 116 54.024 54.024 54.438 -0.414 25919 1271 1 2 . 1 1 116 116 GLN CB C 116 32.179 32.179 30.958 1.221 25919 1272 1 2 . 1 1 116 116 GLN H H 116 7.165 7.165 7.257 -0.092 25919 1273 1 2 . 1 1 117 117 GLU N N 117 118.885 118.885 118.866 0.019 25919 1274 1 2 . 1 1 117 117 GLU HA H 117 3.224 3.224 3.010 0.214 25919 1275 1 2 . 1 1 117 117 GLU C C 117 175.451 175.451 175.198 0.253 25919 1276 1 2 . 1 1 117 117 GLU CA C 117 56.917 56.917 57.652 -0.735 25919 1277 1 2 . 1 1 117 117 GLU CB C 117 30.206 30.206 29.429 0.777 25919 1278 1 2 . 1 1 117 117 GLU H H 117 7.873 7.873 8.389 -0.516 25919 1279 1 2 . 1 1 118 118 THR N N 118 110.883 110.883 108.761 2.122 25919 1280 1 2 . 1 1 118 118 THR HA H 118 4.074 4.074 4.139 -0.065 25919 1281 1 2 . 1 1 118 118 THR C C 118 173.234 173.234 173.660 -0.426 25919 1282 1 2 . 1 1 118 118 THR CA C 118 60.300 60.300 60.494 -0.194 25919 1283 1 2 . 1 1 118 118 THR CB C 118 70.118 70.118 70.090 0.028 25919 1284 1 2 . 1 1 118 118 THR H H 118 6.988 6.988 7.137 -0.149 25919 1285 1 2 . 1 1 119 119 PHE N N 119 122.773 122.773 123.006 -0.233 25919 1286 1 2 . 1 1 119 119 PHE HA H 119 4.397 4.397 4.726 -0.329 25919 1287 1 2 . 1 1 119 119 PHE C C 119 175.045 175.045 176.470 -1.425 25919 1288 1 2 . 1 1 119 119 PHE CA C 119 56.810 56.810 57.085 -0.275 25919 1289 1 2 . 1 1 119 119 PHE CB C 119 39.349 39.349 38.294 1.056 25919 1290 1 2 . 1 1 119 119 PHE H H 119 8.122 8.122 7.522 0.600 25919 1291 1 3 . 1 1 2 2 PRO HA H 2 4.424 4.424 4.487 -0.063 25919 1292 1 3 . 1 1 2 2 PRO C C 2 176.917 176.917 176.431 0.486 25919 1293 1 3 . 1 1 2 2 PRO CA C 2 63.418 63.418 63.314 0.104 25919 1294 1 3 . 1 1 2 2 PRO CB C 2 32.160 32.160 32.533 -0.373 25919 1295 1 3 . 1 1 3 3 SER N N 3 116.273 116.273 108.762 7.511 25919 1296 1 3 . 1 1 3 3 SER HA H 3 4.389 4.389 4.580 -0.191 25919 1297 1 3 . 1 1 3 3 SER C C 3 174.762 174.762 174.295 0.467 25919 1298 1 3 . 1 1 3 3 SER CA C 3 58.472 58.472 56.817 1.655 25919 1299 1 3 . 1 1 3 3 SER CB C 3 63.913 63.913 64.086 -0.173 25919 1300 1 3 . 1 1 3 3 SER H H 3 8.366 8.366 7.592 0.774 25919 1301 1 3 . 1 1 4 4 GLU N N 4 123.959 123.959 118.104 5.855 25919 1302 1 3 . 1 1 4 4 GLU HA H 4 4.289 4.289 4.011 0.278 25919 1303 1 3 . 1 1 4 4 GLU C C 4 176.545 176.545 175.543 1.002 25919 1304 1 3 . 1 1 4 4 GLU CA C 4 56.785 56.785 58.788 -2.003 25919 1305 1 3 . 1 1 4 4 GLU CB C 4 30.200 30.200 29.454 0.746 25919 1306 1 3 . 1 1 4 4 GLU H H 4 8.513 8.513 8.720 -0.207 25919 1307 1 3 . 1 1 5 5 LYS N N 5 122.165 122.165 118.470 3.695 25919 1308 1 3 . 1 1 5 5 LYS HA H 5 4.508 4.508 4.618 -0.110 25919 1309 1 3 . 1 1 5 5 LYS C C 5 177.178 177.178 175.009 2.169 25919 1310 1 3 . 1 1 5 5 LYS CA C 5 56.000 56.000 55.280 0.720 25919 1311 1 3 . 1 1 5 5 LYS CB C 5 34.758 34.758 35.066 -0.308 25919 1312 1 3 . 1 1 5 5 LYS H H 5 8.198 8.198 8.011 0.187 25919 1313 1 3 . 1 1 6 6 THR N N 6 115.586 115.586 112.645 2.941 25919 1314 1 3 . 1 1 6 6 THR HA H 6 4.426 4.426 4.506 -0.080 25919 1315 1 3 . 1 1 6 6 THR C C 6 175.570 175.570 176.118 -0.548 25919 1316 1 3 . 1 1 6 6 THR CA C 6 61.120 61.120 60.576 0.544 25919 1317 1 3 . 1 1 6 6 THR CB C 6 69.871 69.871 70.176 -0.305 25919 1318 1 3 . 1 1 6 6 THR H H 6 8.423 8.423 8.031 0.392 25919 1319 1 3 . 1 1 7 7 PHE N N 7 126.100 126.100 123.099 3.001 25919 1320 1 3 . 1 1 7 7 PHE HA H 7 3.935 3.935 4.358 -0.423 25919 1321 1 3 . 1 1 7 7 PHE CA C 7 63.687 63.687 58.402 5.285 25919 1322 1 3 . 1 1 7 7 PHE CB C 7 39.656 39.656 38.989 0.667 25919 1323 1 3 . 1 1 7 7 PHE H H 7 10.276 10.276 9.245 1.031 25919 1324 1 3 . 1 1 8 8 LYS N N 8 115.026 115.026 118.350 -3.324 25919 1325 1 3 . 1 1 8 8 LYS HA H 8 3.800 3.800 4.015 -0.215 25919 1326 1 3 . 1 1 8 8 LYS CA C 8 59.944 59.944 58.476 1.468 25919 1327 1 3 . 1 1 8 8 LYS CB C 8 33.852 33.852 31.892 1.960 25919 1328 1 3 . 1 1 8 8 LYS H H 8 8.707 8.707 7.596 1.111 25919 1329 1 3 . 1 1 9 9 GLN N N 9 113.774 113.774 115.731 -1.957 25919 1330 1 3 . 1 1 9 9 GLN HA H 9 4.178 4.178 4.162 0.016 25919 1331 1 3 . 1 1 9 9 GLN C C 9 173.193 173.193 177.481 -4.288 25919 1332 1 3 . 1 1 9 9 GLN CA C 9 56.741 56.741 57.460 -0.719 25919 1333 1 3 . 1 1 9 9 GLN CB C 9 30.065 30.065 28.483 1.582 25919 1334 1 3 . 1 1 9 9 GLN H H 9 7.343 7.343 7.679 -0.336 25919 1335 1 3 . 1 1 10 10 ARG N N 10 119.156 119.156 120.117 -0.961 25919 1336 1 3 . 1 1 10 10 ARG HA H 10 4.248 4.248 4.276 -0.028 25919 1337 1 3 . 1 1 10 10 ARG CA C 10 57.555 57.555 57.431 0.124 25919 1338 1 3 . 1 1 10 10 ARG CB C 10 31.771 31.771 31.224 0.546 25919 1339 1 3 . 1 1 10 10 ARG H H 10 7.912 7.912 7.701 0.211 25919 1340 1 3 . 1 1 11 11 ARG N N 11 120.777 120.777 118.686 2.091 25919 1341 1 3 . 1 1 11 11 ARG HA H 11 4.685 4.685 4.914 -0.229 25919 1342 1 3 . 1 1 11 11 ARG CA C 11 53.161 53.161 53.341 -0.180 25919 1343 1 3 . 1 1 11 11 ARG CB C 11 32.773 32.773 32.005 0.768 25919 1344 1 3 . 1 1 11 11 ARG H H 11 7.341 7.341 7.719 -0.378 25919 1345 1 3 . 1 1 12 12 THR N N 12 116.696 116.696 117.131 -0.435 25919 1346 1 3 . 1 1 12 12 THR HA H 12 4.358 4.358 4.544 -0.186 25919 1347 1 3 . 1 1 12 12 THR C C 12 175.056 175.056 175.541 -0.485 25919 1348 1 3 . 1 1 12 12 THR CA C 12 61.795 61.795 60.440 1.355 25919 1349 1 3 . 1 1 12 12 THR CB C 12 71.050 71.050 70.661 0.389 25919 1350 1 3 . 1 1 12 12 THR H H 12 8.855 8.855 8.147 0.708 25919 1351 1 3 . 1 1 13 13 PHE N N 13 123.894 123.894 123.403 0.491 25919 1352 1 3 . 1 1 13 13 PHE HA H 13 4.043 4.043 4.059 -0.016 25919 1353 1 3 . 1 1 13 13 PHE C C 13 176.234 176.234 176.765 -0.531 25919 1354 1 3 . 1 1 13 13 PHE CA C 13 62.947 62.947 62.879 0.068 25919 1355 1 3 . 1 1 13 13 PHE CB C 13 39.571 39.571 38.925 0.646 25919 1356 1 3 . 1 1 13 13 PHE H H 13 9.221 9.221 8.799 0.422 25919 1357 1 3 . 1 1 14 14 GLU N N 14 116.516 116.516 116.584 -0.068 25919 1358 1 3 . 1 1 14 14 GLU HA H 14 3.812 3.812 3.679 0.133 25919 1359 1 3 . 1 1 14 14 GLU CA C 14 60.699 60.699 59.267 1.432 25919 1360 1 3 . 1 1 14 14 GLU CB C 14 28.943 28.943 28.676 0.267 25919 1361 1 3 . 1 1 14 14 GLU H H 14 9.002 9.002 9.033 -0.031 25919 1362 1 3 . 1 1 15 15 GLN N N 15 119.291 119.291 119.607 -0.316 25919 1363 1 3 . 1 1 15 15 GLN HA H 15 4.024 4.024 4.073 -0.049 25919 1364 1 3 . 1 1 15 15 GLN C C 15 175.263 175.263 178.475 -3.212 25919 1365 1 3 . 1 1 15 15 GLN CA C 15 58.800 58.800 58.260 0.540 25919 1366 1 3 . 1 1 15 15 GLN CB C 15 29.300 29.300 28.721 0.579 25919 1367 1 3 . 1 1 15 15 GLN H H 15 7.706 7.706 7.702 0.004 25919 1368 1 3 . 1 1 16 16 ARG N N 16 122.883 122.883 121.163 1.720 25919 1369 1 3 . 1 1 16 16 ARG HA H 16 4.235 4.235 4.032 0.203 25919 1370 1 3 . 1 1 16 16 ARG CA C 16 61.660 61.660 58.946 2.714 25919 1371 1 3 . 1 1 16 16 ARG CB C 16 30.877 30.877 29.616 1.261 25919 1372 1 3 . 1 1 16 16 ARG H H 16 8.567 8.567 8.424 0.143 25919 1373 1 3 . 1 1 17 17 VAL N N 17 118.523 118.523 119.285 -0.762 25919 1374 1 3 . 1 1 17 17 VAL HA H 17 3.865 3.865 3.666 0.199 25919 1375 1 3 . 1 1 17 17 VAL C C 17 174.213 174.213 178.293 -4.080 25919 1376 1 3 . 1 1 17 17 VAL CA C 17 65.550 65.550 66.736 -1.186 25919 1377 1 3 . 1 1 17 17 VAL CB C 17 32.171 32.171 31.054 1.117 25919 1378 1 3 . 1 1 17 17 VAL H H 17 8.430 8.430 8.286 0.144 25919 1379 1 3 . 1 1 18 18 GLU N N 18 120.170 120.170 119.796 0.374 25919 1380 1 3 . 1 1 18 18 GLU HA H 18 4.212 4.212 3.896 0.316 25919 1381 1 3 . 1 1 18 18 GLU C C 18 175.758 175.758 178.713 -2.955 25919 1382 1 3 . 1 1 18 18 GLU CA C 18 58.488 58.488 59.793 -1.305 25919 1383 1 3 . 1 1 18 18 GLU CB C 18 29.360 29.360 29.253 0.107 25919 1384 1 3 . 1 1 18 18 GLU H H 18 7.423 7.423 7.618 -0.195 25919 1385 1 3 . 1 1 19 19 ASP N N 19 121.273 121.273 120.222 1.051 25919 1386 1 3 . 1 1 19 19 ASP HA H 19 4.384 4.384 4.389 -0.005 25919 1387 1 3 . 1 1 19 19 ASP C C 19 177.016 177.016 178.582 -1.566 25919 1388 1 3 . 1 1 19 19 ASP CA C 19 56.900 56.900 57.281 -0.381 25919 1389 1 3 . 1 1 19 19 ASP CB C 19 41.884 41.884 40.827 1.057 25919 1390 1 3 . 1 1 19 19 ASP H H 19 7.955 7.955 8.190 -0.235 25919 1391 1 3 . 1 1 20 20 VAL N N 20 119.523 119.523 117.821 1.702 25919 1392 1 3 . 1 1 20 20 VAL HA H 20 3.232 3.232 3.604 -0.372 25919 1393 1 3 . 1 1 20 20 VAL C C 20 173.876 173.876 177.951 -4.075 25919 1394 1 3 . 1 1 20 20 VAL CA C 20 66.128 66.128 65.783 0.345 25919 1395 1 3 . 1 1 20 20 VAL CB C 20 31.099 31.099 31.571 -0.472 25919 1396 1 3 . 1 1 20 20 VAL H H 20 7.818 7.818 8.124 -0.306 25919 1397 1 3 . 1 1 21 21 ARG N N 21 120.310 120.310 120.805 -0.495 25919 1398 1 3 . 1 1 21 21 ARG HA H 21 3.803 3.803 4.130 -0.327 25919 1399 1 3 . 1 1 21 21 ARG CA C 21 59.934 59.934 59.151 0.783 25919 1400 1 3 . 1 1 21 21 ARG CB C 21 30.076 30.076 30.205 -0.129 25919 1401 1 3 . 1 1 21 21 ARG H H 21 8.037 8.037 8.060 -0.023 25919 1402 1 3 . 1 1 22 22 LEU N N 22 118.660 118.660 120.112 -1.452 25919 1403 1 3 . 1 1 22 22 LEU HA H 22 4.094 4.094 4.008 0.086 25919 1404 1 3 . 1 1 22 22 LEU C C 22 177.626 177.626 179.288 -1.662 25919 1405 1 3 . 1 1 22 22 LEU CA C 22 57.738 57.738 58.115 -0.377 25919 1406 1 3 . 1 1 22 22 LEU CB C 22 42.222 42.222 41.901 0.321 25919 1407 1 3 . 1 1 22 22 LEU H H 22 8.050 8.050 8.344 -0.294 25919 1408 1 3 . 1 1 23 23 ILE N N 23 122.825 122.825 118.321 4.504 25919 1409 1 3 . 1 1 23 23 ILE HA H 23 4.122 4.122 3.520 0.602 25919 1410 1 3 . 1 1 23 23 ILE C C 23 176.226 176.226 177.049 -0.823 25919 1411 1 3 . 1 1 23 23 ILE CA C 23 61.243 61.243 63.608 -2.365 25919 1412 1 3 . 1 1 23 23 ILE CB C 23 38.268 38.268 37.731 0.537 25919 1413 1 3 . 1 1 23 23 ILE H H 23 8.390 8.390 8.134 0.256 25919 1414 1 3 . 1 1 24 24 ARG N N 24 122.365 122.365 118.980 3.385 25919 1415 1 3 . 1 1 24 24 ARG HA H 24 4.017 4.017 4.019 -0.002 25919 1416 1 3 . 1 1 24 24 ARG CA C 24 57.684 57.684 58.373 -0.689 25919 1417 1 3 . 1 1 24 24 ARG CB C 24 28.817 28.817 29.831 -1.014 25919 1418 1 3 . 1 1 24 24 ARG H H 24 8.540 8.540 7.446 1.094 25919 1419 1 3 . 1 1 25 25 GLU N N 25 118.383 118.383 119.513 -1.130 25919 1420 1 3 . 1 1 25 25 GLU HA H 25 4.044 4.044 4.059 -0.015 25919 1421 1 3 . 1 1 25 25 GLU CA C 25 58.680 58.680 58.916 -0.236 25919 1422 1 3 . 1 1 25 25 GLU CB C 25 29.850 29.850 29.594 0.256 25919 1423 1 3 . 1 1 25 25 GLU H H 25 7.287 7.287 7.995 -0.708 25919 1424 1 3 . 1 1 26 26 GLN N N 26 117.165 117.165 116.908 0.257 25919 1425 1 3 . 1 1 26 26 GLN HA H 26 3.948 3.948 4.135 -0.187 25919 1426 1 3 . 1 1 26 26 GLN C C 26 176.221 176.221 176.493 -0.272 25919 1427 1 3 . 1 1 26 26 GLN CA C 26 57.638 57.638 56.927 0.711 25919 1428 1 3 . 1 1 26 26 GLN CB C 26 30.320 30.320 28.917 1.403 25919 1429 1 3 . 1 1 26 26 GLN H H 26 7.423 7.423 7.848 -0.425 25919 1430 1 3 . 1 1 27 27 HIS N N 27 117.140 117.140 112.487 4.653 25919 1431 1 3 . 1 1 27 27 HIS HA H 27 4.866 4.866 5.016 -0.150 25919 1432 1 3 . 1 1 27 27 HIS CA C 27 53.305 53.305 52.442 0.863 25919 1433 1 3 . 1 1 27 27 HIS CB C 27 30.917 30.917 28.723 2.194 25919 1434 1 3 . 1 1 27 27 HIS H H 27 8.254 8.254 7.693 0.561 25919 1435 1 3 . 1 1 28 28 PRO HA H 28 4.609 4.609 4.539 0.070 25919 1436 1 3 . 1 1 28 28 PRO CA C 28 64.881 64.881 64.882 -0.002 25919 1437 1 3 . 1 1 28 28 PRO CB C 28 32.554 32.554 31.813 0.741 25919 1438 1 3 . 1 1 29 29 THR N N 29 107.339 107.339 107.893 -0.554 25919 1439 1 3 . 1 1 29 29 THR HA H 29 4.644 4.644 4.214 0.430 25919 1440 1 3 . 1 1 29 29 THR C C 29 172.933 172.933 174.493 -1.560 25919 1441 1 3 . 1 1 29 29 THR CA C 29 60.600 60.600 63.802 -3.202 25919 1442 1 3 . 1 1 29 29 THR CB C 29 68.520 68.520 68.481 0.039 25919 1443 1 3 . 1 1 29 29 THR H H 29 7.764 7.764 8.227 -0.463 25919 1444 1 3 . 1 1 30 30 LYS N N 30 118.273 118.273 120.360 -2.087 25919 1445 1 3 . 1 1 30 30 LYS HA H 30 4.926 4.926 5.005 -0.079 25919 1446 1 3 . 1 1 30 30 LYS C C 30 175.010 175.010 174.729 0.281 25919 1447 1 3 . 1 1 30 30 LYS CA C 30 53.740 53.740 54.923 -1.183 25919 1448 1 3 . 1 1 30 30 LYS CB C 30 36.445 36.445 35.403 1.042 25919 1449 1 3 . 1 1 30 30 LYS H H 30 7.478 7.478 7.634 -0.156 25919 1450 1 3 . 1 1 31 31 ILE N N 31 123.498 123.498 121.656 1.842 25919 1451 1 3 . 1 1 31 31 ILE HA H 31 4.139 4.139 4.513 -0.374 25919 1452 1 3 . 1 1 31 31 ILE CA C 31 54.669 54.669 56.209 -1.540 25919 1453 1 3 . 1 1 31 31 ILE CB C 31 38.427 38.427 38.640 -0.213 25919 1454 1 3 . 1 1 31 31 ILE H H 31 9.235 9.235 8.796 0.439 25919 1455 1 3 . 1 1 32 32 PRO HA H 32 5.212 5.212 4.769 0.443 25919 1456 1 3 . 1 1 32 32 PRO C C 32 174.832 174.832 176.221 -1.389 25919 1457 1 3 . 1 1 32 32 PRO CA C 32 61.678 61.678 62.581 -0.903 25919 1458 1 3 . 1 1 32 32 PRO CB C 32 30.993 30.993 31.711 -0.718 25919 1459 1 3 . 1 1 33 33 VAL N N 33 124.964 124.964 122.666 2.298 25919 1460 1 3 . 1 1 33 33 VAL HA H 33 5.234 5.234 4.896 0.338 25919 1461 1 3 . 1 1 33 33 VAL CA C 33 59.611 59.611 60.862 -1.251 25919 1462 1 3 . 1 1 33 33 VAL CB C 33 35.711 35.711 36.075 -0.364 25919 1463 1 3 . 1 1 33 33 VAL H H 33 9.289 9.289 9.021 0.268 25919 1464 1 3 . 1 1 34 34 ILE N N 34 127.908 127.908 125.906 2.002 25919 1465 1 3 . 1 1 34 34 ILE HA H 34 4.742 4.742 4.543 0.199 25919 1466 1 3 . 1 1 34 34 ILE CA C 34 56.330 56.330 60.127 -3.797 25919 1467 1 3 . 1 1 34 34 ILE CB C 34 36.629 36.629 40.088 -3.459 25919 1468 1 3 . 1 1 34 34 ILE H H 34 8.594 8.594 9.013 -0.419 25919 1469 1 3 . 1 1 35 35 ILE N N 35 125.405 125.405 126.732 -1.327 25919 1470 1 3 . 1 1 35 35 ILE HA H 35 4.879 4.879 5.248 -0.369 25919 1471 1 3 . 1 1 35 35 ILE C C 35 176.126 176.126 173.774 2.352 25919 1472 1 3 . 1 1 35 35 ILE CA C 35 60.923 60.923 58.984 1.939 25919 1473 1 3 . 1 1 35 35 ILE CB C 35 38.968 38.968 41.352 -2.384 25919 1474 1 3 . 1 1 35 35 ILE H H 35 8.545 8.545 8.523 0.022 25919 1475 1 3 . 1 1 36 36 GLU N N 36 124.153 124.153 126.169 -2.016 25919 1476 1 3 . 1 1 36 36 GLU HA H 36 4.789 4.789 5.339 -0.550 25919 1477 1 3 . 1 1 36 36 GLU C C 36 173.645 173.645 174.941 -1.296 25919 1478 1 3 . 1 1 36 36 GLU CA C 36 54.282 54.282 54.164 0.118 25919 1479 1 3 . 1 1 36 36 GLU CB C 36 35.401 35.401 33.904 1.497 25919 1480 1 3 . 1 1 36 36 GLU H H 36 8.363 8.363 8.585 -0.222 25919 1481 1 3 . 1 1 37 37 ARG N N 37 123.957 123.957 123.274 0.683 25919 1482 1 3 . 1 1 37 37 ARG HA H 37 2.804 2.804 3.236 -0.432 25919 1483 1 3 . 1 1 37 37 ARG C C 37 176.456 176.456 175.855 0.601 25919 1484 1 3 . 1 1 37 37 ARG CA C 37 56.120 56.120 56.783 -0.663 25919 1485 1 3 . 1 1 37 37 ARG CB C 37 31.500 31.500 30.737 0.763 25919 1486 1 3 . 1 1 37 37 ARG H H 37 8.853 8.853 8.403 0.450 25919 1487 1 3 . 1 1 38 38 TYR N N 38 129.636 129.636 128.203 1.433 25919 1488 1 3 . 1 1 38 38 TYR HA H 38 4.311 4.311 4.262 0.049 25919 1489 1 3 . 1 1 38 38 TYR CA C 38 57.907 57.907 58.847 -0.940 25919 1490 1 3 . 1 1 38 38 TYR CB C 38 39.567 39.567 39.310 0.257 25919 1491 1 3 . 1 1 38 38 TYR H H 38 8.663 8.663 8.265 0.398 25919 1492 1 3 . 1 1 39 39 LYS N N 39 130.772 130.772 127.132 3.640 25919 1493 1 3 . 1 1 39 39 LYS HA H 39 3.848 3.848 3.718 0.130 25919 1494 1 3 . 1 1 39 39 LYS CA C 39 58.986 58.986 59.258 -0.272 25919 1495 1 3 . 1 1 39 39 LYS CB C 39 31.777 31.777 31.957 -0.180 25919 1496 1 3 . 1 1 39 39 LYS H H 39 8.389 8.389 8.456 -0.067 25919 1497 1 3 . 1 1 40 40 GLY N N 40 106.013 106.013 102.518 3.495 25919 1498 1 3 . 1 1 40 40 GLY C C 40 173.407 173.407 174.339 -0.932 25919 1499 1 3 . 1 1 40 40 GLY CA C 40 44.796 44.796 45.160 -0.364 25919 1500 1 3 . 1 1 40 40 GLY H H 40 5.643 5.643 6.775 -1.132 25919 1501 1 3 . 1 1 41 41 GLU N N 41 123.519 123.519 119.523 3.996 25919 1502 1 3 . 1 1 41 41 GLU HA H 41 4.265 4.265 4.204 0.061 25919 1503 1 3 . 1 1 41 41 GLU C C 41 176.231 176.231 175.741 0.490 25919 1504 1 3 . 1 1 41 41 GLU CA C 41 56.365 56.365 55.088 1.277 25919 1505 1 3 . 1 1 41 41 GLU CB C 41 31.077 31.077 29.025 2.052 25919 1506 1 3 . 1 1 41 41 GLU H H 41 7.464 7.464 6.833 0.631 25919 1507 1 3 . 1 1 42 42 LYS N N 42 124.405 124.405 126.485 -2.080 25919 1508 1 3 . 1 1 42 42 LYS HA H 42 4.669 4.669 4.164 0.505 25919 1509 1 3 . 1 1 42 42 LYS C C 42 177.170 177.170 176.328 0.842 25919 1510 1 3 . 1 1 42 42 LYS CA C 42 55.750 55.750 56.388 -0.638 25919 1511 1 3 . 1 1 42 42 LYS CB C 42 34.929 34.929 30.860 4.069 25919 1512 1 3 . 1 1 42 42 LYS H H 42 8.895 8.895 8.390 0.505 25919 1513 1 3 . 1 1 43 43 GLN N N 43 119.903 119.903 118.848 1.055 25919 1514 1 3 . 1 1 43 43 GLN HA H 43 4.541 4.541 4.158 0.383 25919 1515 1 3 . 1 1 43 43 GLN C C 43 177.260 177.260 176.591 0.669 25919 1516 1 3 . 1 1 43 43 GLN CA C 43 57.566 57.566 56.842 0.724 25919 1517 1 3 . 1 1 43 43 GLN CB C 43 30.620 30.620 29.380 1.240 25919 1518 1 3 . 1 1 43 43 GLN H H 43 8.459 8.459 7.750 0.709 25919 1519 1 3 . 1 1 44 44 LEU N N 44 121.272 121.272 121.376 -0.104 25919 1520 1 3 . 1 1 44 44 LEU HA H 44 4.726 4.726 4.645 0.081 25919 1521 1 3 . 1 1 44 44 LEU CA C 44 53.165 53.165 53.245 -0.080 25919 1522 1 3 . 1 1 44 44 LEU CB C 44 43.444 43.444 41.401 2.043 25919 1523 1 3 . 1 1 44 44 LEU H H 44 9.002 9.002 8.189 0.813 25919 1524 1 3 . 1 1 45 45 PRO HA H 45 4.722 4.722 4.429 0.293 25919 1525 1 3 . 1 1 45 45 PRO CA C 45 62.169 62.169 63.642 -1.473 25919 1526 1 3 . 1 1 45 45 PRO CB C 45 32.722 32.722 32.378 0.344 25919 1527 1 3 . 1 1 46 46 VAL N N 46 118.403 118.403 120.693 -2.290 25919 1528 1 3 . 1 1 46 46 VAL HA H 46 4.009 4.009 4.037 -0.028 25919 1529 1 3 . 1 1 46 46 VAL C C 46 173.416 173.416 175.935 -2.519 25919 1530 1 3 . 1 1 46 46 VAL CA C 46 62.413 62.413 64.194 -1.781 25919 1531 1 3 . 1 1 46 46 VAL CB C 46 33.087 33.087 32.232 0.855 25919 1532 1 3 . 1 1 46 46 VAL H H 46 8.349 8.349 8.367 -0.018 25919 1533 1 3 . 1 1 47 47 LEU N N 47 128.653 128.653 121.449 7.204 25919 1534 1 3 . 1 1 47 47 LEU HA H 47 4.452 4.452 4.209 0.243 25919 1535 1 3 . 1 1 47 47 LEU CA C 47 54.758 54.758 55.939 -1.181 25919 1536 1 3 . 1 1 47 47 LEU CB C 47 44.076 44.076 41.831 2.245 25919 1537 1 3 . 1 1 47 47 LEU H H 47 8.064 8.064 7.695 0.369 25919 1538 1 3 . 1 1 48 48 ASP N N 48 121.042 121.042 123.295 -2.253 25919 1539 1 3 . 1 1 48 48 ASP HA H 48 4.347 4.347 4.708 -0.361 25919 1540 1 3 . 1 1 48 48 ASP CA C 48 55.600 55.600 53.410 2.190 25919 1541 1 3 . 1 1 48 48 ASP CB C 48 40.407 40.407 42.752 -2.345 25919 1542 1 3 . 1 1 48 48 ASP H H 48 8.649 8.649 8.193 0.456 25919 1543 1 3 . 1 1 49 49 LYS N N 49 118.877 118.877 116.576 2.301 25919 1544 1 3 . 1 1 49 49 LYS HA H 49 4.541 4.541 3.868 0.673 25919 1545 1 3 . 1 1 49 49 LYS C C 49 179.744 179.744 176.624 3.120 25919 1546 1 3 . 1 1 49 49 LYS CA C 49 54.099 54.099 58.404 -4.305 25919 1547 1 3 . 1 1 49 49 LYS CB C 49 35.378 35.378 31.289 4.089 25919 1548 1 3 . 1 1 49 49 LYS H H 49 7.287 7.287 8.511 -1.224 25919 1549 1 3 . 1 1 50 50 THR N N 50 114.691 114.691 107.167 7.524 25919 1550 1 3 . 1 1 50 50 THR HA H 50 4.628 4.628 3.984 0.644 25919 1551 1 3 . 1 1 50 50 THR CA C 50 63.920 63.920 64.883 -0.963 25919 1552 1 3 . 1 1 50 50 THR CB C 50 71.365 71.365 68.187 3.178 25919 1553 1 3 . 1 1 50 50 THR H H 50 8.064 8.064 8.150 -0.086 25919 1554 1 3 . 1 1 51 51 LYS N N 51 120.273 120.273 120.172 0.101 25919 1555 1 3 . 1 1 51 51 LYS HA H 51 4.570 4.570 4.637 -0.067 25919 1556 1 3 . 1 1 51 51 LYS CA C 51 54.997 54.997 55.280 -0.283 25919 1557 1 3 . 1 1 51 51 LYS CB C 51 32.700 32.700 35.600 -2.900 25919 1558 1 3 . 1 1 51 51 LYS H H 51 7.192 7.192 7.163 0.029 25919 1559 1 3 . 1 1 52 52 PHE N N 52 121.816 121.816 120.387 1.429 25919 1560 1 3 . 1 1 52 52 PHE HA H 52 5.503 5.503 4.724 0.779 25919 1561 1 3 . 1 1 52 52 PHE CA C 52 56.104 56.104 56.762 -0.658 25919 1562 1 3 . 1 1 52 52 PHE CB C 52 43.188 43.188 43.745 -0.557 25919 1563 1 3 . 1 1 52 52 PHE H H 52 9.466 9.466 8.925 0.541 25919 1564 1 3 . 1 1 53 53 LEU N N 53 120.846 120.846 123.065 -2.219 25919 1565 1 3 . 1 1 53 53 LEU HA H 53 5.135 5.135 4.910 0.225 25919 1566 1 3 . 1 1 53 53 LEU C C 53 175.042 175.042 175.412 -0.370 25919 1567 1 3 . 1 1 53 53 LEU CA C 53 52.916 52.916 54.136 -1.220 25919 1568 1 3 . 1 1 53 53 LEU CB C 53 45.242 45.242 42.182 3.060 25919 1569 1 3 . 1 1 53 53 LEU H H 53 8.608 8.608 8.633 -0.025 25919 1570 1 3 . 1 1 54 54 VAL N N 54 123.773 123.773 124.459 -0.686 25919 1571 1 3 . 1 1 54 54 VAL HA H 54 4.755 4.755 4.264 0.491 25919 1572 1 3 . 1 1 54 54 VAL CA C 54 58.622 58.622 59.607 -0.985 25919 1573 1 3 . 1 1 54 54 VAL CB C 54 35.150 35.150 32.135 3.015 25919 1574 1 3 . 1 1 54 54 VAL H H 54 8.801 8.801 8.719 0.082 25919 1575 1 3 . 1 1 55 55 PRO HA H 55 4.435 4.435 4.557 -0.122 25919 1576 1 3 . 1 1 55 55 PRO C C 55 176.427 176.427 178.020 -1.593 25919 1577 1 3 . 1 1 55 55 PRO CA C 55 64.298 64.298 62.938 1.360 25919 1578 1 3 . 1 1 55 55 PRO CB C 55 32.822 32.822 32.161 0.661 25919 1579 1 3 . 1 1 56 56 ASP N N 56 121.214 121.214 124.554 -3.340 25919 1580 1 3 . 1 1 56 56 ASP HA H 56 3.880 3.880 4.284 -0.404 25919 1581 1 3 . 1 1 56 56 ASP CA C 56 56.742 56.742 57.503 -0.761 25919 1582 1 3 . 1 1 56 56 ASP CB C 56 40.481 40.481 40.215 0.265 25919 1583 1 3 . 1 1 56 56 ASP H H 56 8.336 8.336 9.024 -0.688 25919 1584 1 3 . 1 1 57 57 HIS N N 57 114.277 114.277 117.291 -3.014 25919 1585 1 3 . 1 1 57 57 HIS HA H 57 4.772 4.772 4.450 0.322 25919 1586 1 3 . 1 1 57 57 HIS C C 57 174.806 174.806 175.954 -1.148 25919 1587 1 3 . 1 1 57 57 HIS CA C 57 55.688 55.688 57.828 -2.140 25919 1588 1 3 . 1 1 57 57 HIS CB C 57 30.450 30.450 29.512 0.938 25919 1589 1 3 . 1 1 57 57 HIS H H 57 7.464 7.464 8.399 -0.935 25919 1590 1 3 . 1 1 58 58 VAL N N 58 123.531 123.531 121.490 2.041 25919 1591 1 3 . 1 1 58 58 VAL HA H 58 3.909 3.909 3.944 -0.035 25919 1592 1 3 . 1 1 58 58 VAL C C 58 177.148 177.148 175.402 1.746 25919 1593 1 3 . 1 1 58 58 VAL CA C 58 62.900 62.900 63.434 -0.533 25919 1594 1 3 . 1 1 58 58 VAL CB C 58 32.320 32.320 31.742 0.577 25919 1595 1 3 . 1 1 58 58 VAL H H 58 7.261 7.261 7.769 -0.508 25919 1596 1 3 . 1 1 59 59 ASN N N 59 124.147 124.147 126.672 -2.525 25919 1597 1 3 . 1 1 59 59 ASN HA H 59 5.174 5.174 4.932 0.242 25919 1598 1 3 . 1 1 59 59 ASN C C 59 175.176 175.176 176.871 -1.695 25919 1599 1 3 . 1 1 59 59 ASN CA C 59 51.374 51.374 52.860 -1.486 25919 1600 1 3 . 1 1 59 59 ASN CB C 59 40.038 40.038 39.361 0.677 25919 1601 1 3 . 1 1 59 59 ASN H H 59 8.819 8.819 8.253 0.566 25919 1602 1 3 . 1 1 60 60 MET N N 60 117.583 117.583 121.058 -3.475 25919 1603 1 3 . 1 1 60 60 MET HA H 60 4.425 4.425 4.213 0.212 25919 1604 1 3 . 1 1 60 60 MET CA C 60 57.271 57.271 57.413 -0.142 25919 1605 1 3 . 1 1 60 60 MET CB C 60 30.063 30.063 31.220 -1.157 25919 1606 1 3 . 1 1 60 60 MET H H 60 8.023 8.023 8.896 -0.873 25919 1607 1 3 . 1 1 61 61 SER N N 61 115.027 115.027 114.246 0.781 25919 1608 1 3 . 1 1 61 61 SER HA H 61 4.138 4.138 4.083 0.055 25919 1609 1 3 . 1 1 61 61 SER C C 61 178.809 178.809 176.237 2.572 25919 1610 1 3 . 1 1 61 61 SER CA C 61 61.553 61.553 61.673 -0.120 25919 1611 1 3 . 1 1 61 61 SER CB C 61 62.581 62.581 62.557 0.024 25919 1612 1 3 . 1 1 61 61 SER H H 61 8.350 8.350 8.088 0.262 25919 1613 1 3 . 1 1 62 62 GLU N N 62 123.657 123.657 123.307 0.350 25919 1614 1 3 . 1 1 62 62 GLU HA H 62 3.979 3.979 4.105 -0.126 25919 1615 1 3 . 1 1 62 62 GLU C C 62 176.456 176.456 178.304 -1.848 25919 1616 1 3 . 1 1 62 62 GLU CA C 62 58.726 58.726 58.493 0.233 25919 1617 1 3 . 1 1 62 62 GLU CB C 62 29.700 29.700 29.634 0.067 25919 1618 1 3 . 1 1 62 62 GLU H H 62 7.994 7.994 7.619 0.375 25919 1619 1 3 . 1 1 63 63 LEU N N 63 121.225 121.225 121.507 -0.282 25919 1620 1 3 . 1 1 63 63 LEU HA H 63 3.949 3.949 3.920 0.029 25919 1621 1 3 . 1 1 63 63 LEU C C 63 178.113 178.113 178.678 -0.565 25919 1622 1 3 . 1 1 63 63 LEU CA C 63 57.860 57.860 58.006 -0.146 25919 1623 1 3 . 1 1 63 63 LEU CB C 63 41.526 41.526 41.840 -0.314 25919 1624 1 3 . 1 1 63 63 LEU H H 63 8.223 8.223 8.337 -0.114 25919 1625 1 3 . 1 1 64 64 ILE N N 64 119.273 119.273 118.956 0.317 25919 1626 1 3 . 1 1 64 64 ILE HA H 64 3.375 3.375 3.553 -0.178 25919 1627 1 3 . 1 1 64 64 ILE CA C 64 66.723 66.723 66.028 0.695 25919 1628 1 3 . 1 1 64 64 ILE CB C 64 38.161 38.161 37.638 0.523 25919 1629 1 3 . 1 1 64 64 ILE H H 64 8.301 8.301 8.448 -0.147 25919 1630 1 3 . 1 1 65 65 LYS N N 65 119.143 119.143 120.158 -1.015 25919 1631 1 3 . 1 1 65 65 LYS HA H 65 3.703 3.703 3.865 -0.162 25919 1632 1 3 . 1 1 65 65 LYS C C 65 173.869 173.869 178.743 -4.874 25919 1633 1 3 . 1 1 65 65 LYS CA C 65 60.451 60.451 59.937 0.514 25919 1634 1 3 . 1 1 65 65 LYS CB C 65 32.300 32.300 32.406 -0.106 25919 1635 1 3 . 1 1 65 65 LYS H H 65 7.300 7.300 7.810 -0.510 25919 1636 1 3 . 1 1 66 66 ILE N N 66 120.527 120.527 120.933 -0.406 25919 1637 1 3 . 1 1 66 66 ILE HA H 66 3.541 3.541 3.734 -0.193 25919 1638 1 3 . 1 1 66 66 ILE C C 66 176.459 176.459 177.621 -1.162 25919 1639 1 3 . 1 1 66 66 ILE CA C 66 65.290 65.290 63.943 1.347 25919 1640 1 3 . 1 1 66 66 ILE CB C 66 38.254 38.254 37.478 0.776 25919 1641 1 3 . 1 1 66 66 ILE H H 66 8.048 8.048 7.980 0.068 25919 1642 1 3 . 1 1 67 67 ILE N N 67 121.527 121.527 121.899 -0.372 25919 1643 1 3 . 1 1 67 67 ILE HA H 67 3.336 3.336 3.551 -0.215 25919 1644 1 3 . 1 1 67 67 ILE C C 67 178.102 178.102 178.003 0.099 25919 1645 1 3 . 1 1 67 67 ILE CA C 67 63.952 63.952 64.409 -0.457 25919 1646 1 3 . 1 1 67 67 ILE CB C 67 35.891 35.891 37.172 -1.281 25919 1647 1 3 . 1 1 67 67 ILE H H 67 8.308 8.308 8.016 0.292 25919 1648 1 3 . 1 1 68 68 ARG N N 68 119.384 119.384 118.048 1.336 25919 1649 1 3 . 1 1 68 68 ARG HA H 68 2.970 2.970 3.609 -0.639 25919 1650 1 3 . 1 1 68 68 ARG C C 68 172.723 172.723 178.801 -6.078 25919 1651 1 3 . 1 1 68 68 ARG CA C 68 60.704 60.704 59.440 1.264 25919 1652 1 3 . 1 1 68 68 ARG CB C 68 30.320 30.320 29.850 0.470 25919 1653 1 3 . 1 1 68 68 ARG H H 68 8.336 8.336 8.248 0.088 25919 1654 1 3 . 1 1 69 69 ARG N N 69 117.648 117.648 117.840 -0.192 25919 1655 1 3 . 1 1 69 69 ARG HA H 69 4.138 4.138 4.112 0.026 25919 1656 1 3 . 1 1 69 69 ARG C C 69 172.480 172.480 178.257 -5.777 25919 1657 1 3 . 1 1 69 69 ARG CA C 69 58.645 58.645 58.133 0.512 25919 1658 1 3 . 1 1 69 69 ARG CB C 69 29.779 29.779 30.345 -0.566 25919 1659 1 3 . 1 1 69 69 ARG H H 69 7.432 7.432 7.439 -0.007 25919 1660 1 3 . 1 1 70 70 ARG N N 70 124.006 124.006 117.844 6.162 25919 1661 1 3 . 1 1 70 70 ARG HA H 70 4.074 4.074 4.167 -0.093 25919 1662 1 3 . 1 1 70 70 ARG C C 70 178.799 178.799 177.140 1.659 25919 1663 1 3 . 1 1 70 70 ARG CA C 70 58.385 58.385 57.146 1.239 25919 1664 1 3 . 1 1 70 70 ARG CB C 70 30.043 30.043 30.918 -0.875 25919 1665 1 3 . 1 1 70 70 ARG H H 70 8.212 8.212 8.129 0.083 25919 1666 1 3 . 1 1 71 71 LEU N N 71 117.764 117.764 118.759 -0.995 25919 1667 1 3 . 1 1 71 71 LEU HA H 71 4.085 4.085 4.438 -0.353 25919 1668 1 3 . 1 1 71 71 LEU CA C 71 55.063 55.063 53.582 1.481 25919 1669 1 3 . 1 1 71 71 LEU CB C 71 43.100 43.100 42.401 0.699 25919 1670 1 3 . 1 1 71 71 LEU H H 71 7.750 7.750 7.815 -0.065 25919 1671 1 3 . 1 1 72 72 GLN N N 72 115.522 115.522 121.926 -6.404 25919 1672 1 3 . 1 1 72 72 GLN HA H 72 3.839 3.839 4.206 -0.367 25919 1673 1 3 . 1 1 72 72 GLN C C 72 175.744 175.744 175.208 0.536 25919 1674 1 3 . 1 1 72 72 GLN CA C 72 56.409 56.409 56.780 -0.371 25919 1675 1 3 . 1 1 72 72 GLN CB C 72 25.959 25.959 27.042 -1.083 25919 1676 1 3 . 1 1 72 72 GLN H H 72 7.751 7.751 8.823 -1.072 25919 1677 1 3 . 1 1 73 73 LEU N N 73 115.900 115.900 120.632 -4.732 25919 1678 1 3 . 1 1 73 73 LEU HA H 73 4.254 4.254 4.486 -0.232 25919 1679 1 3 . 1 1 73 73 LEU C C 73 178.568 178.568 175.846 2.722 25919 1680 1 3 . 1 1 73 73 LEU CA C 73 54.468 54.468 53.343 1.125 25919 1681 1 3 . 1 1 73 73 LEU CB C 73 42.050 42.050 42.327 -0.277 25919 1682 1 3 . 1 1 73 73 LEU H H 73 7.573 7.573 8.023 -0.450 25919 1683 1 3 . 1 1 74 74 ASN N N 74 122.154 122.154 119.780 2.374 25919 1684 1 3 . 1 1 74 74 ASN HA H 74 4.684 4.684 4.400 0.284 25919 1685 1 3 . 1 1 74 74 ASN C C 74 174.122 174.122 176.746 -2.624 25919 1686 1 3 . 1 1 74 74 ASN CA C 74 52.724 52.724 54.551 -1.827 25919 1687 1 3 . 1 1 74 74 ASN CB C 74 39.579 39.579 40.076 -0.497 25919 1688 1 3 . 1 1 74 74 ASN H H 74 8.949 8.949 8.250 0.699 25919 1689 1 3 . 1 1 75 75 ALA N N 75 124.274 124.274 126.165 -1.891 25919 1690 1 3 . 1 1 75 75 ALA HA H 75 3.972 3.972 3.941 0.031 25919 1691 1 3 . 1 1 75 75 ALA C C 75 178.113 178.113 178.938 -0.825 25919 1692 1 3 . 1 1 75 75 ALA CA C 75 54.900 54.900 54.823 0.077 25919 1693 1 3 . 1 1 75 75 ALA CB C 75 18.708 18.708 18.663 0.045 25919 1694 1 3 . 1 1 75 75 ALA H H 75 8.690 8.690 8.642 0.048 25919 1695 1 3 . 1 1 76 76 ASN N N 76 112.911 112.911 115.551 -2.640 25919 1696 1 3 . 1 1 76 76 ASN HA H 76 4.589 4.589 4.497 0.092 25919 1697 1 3 . 1 1 76 76 ASN C C 76 175.515 175.515 176.080 -0.565 25919 1698 1 3 . 1 1 76 76 ASN CA C 76 53.276 53.276 54.452 -1.176 25919 1699 1 3 . 1 1 76 76 ASN CB C 76 38.343 38.343 39.062 -0.719 25919 1700 1 3 . 1 1 76 76 ASN H H 76 8.340 8.340 8.252 0.088 25919 1701 1 3 . 1 1 77 77 GLN N N 77 121.144 121.144 120.507 0.637 25919 1702 1 3 . 1 1 77 77 GLN HA H 77 4.287 4.287 4.347 -0.060 25919 1703 1 3 . 1 1 77 77 GLN C C 77 175.053 175.053 175.119 -0.066 25919 1704 1 3 . 1 1 77 77 GLN CA C 77 55.856 55.856 55.397 0.459 25919 1705 1 3 . 1 1 77 77 GLN CB C 77 30.320 30.320 29.952 0.368 25919 1706 1 3 . 1 1 77 77 GLN H H 77 7.546 7.546 7.786 -0.240 25919 1707 1 3 . 1 1 78 78 ALA N N 78 131.146 131.146 129.073 2.073 25919 1708 1 3 . 1 1 78 78 ALA HA H 78 4.179 4.179 4.195 -0.016 25919 1709 1 3 . 1 1 78 78 ALA C C 78 176.453 176.453 176.223 0.230 25919 1710 1 3 . 1 1 78 78 ALA CA C 78 52.852 52.852 52.737 0.115 25919 1711 1 3 . 1 1 78 78 ALA CB C 78 20.074 20.074 18.905 1.169 25919 1712 1 3 . 1 1 78 78 ALA H H 78 8.730 8.730 8.574 0.156 25919 1713 1 3 . 1 1 79 79 PHE N N 79 119.860 119.860 125.653 -5.793 25919 1714 1 3 . 1 1 79 79 PHE HA H 79 4.453 4.453 5.220 -0.767 25919 1715 1 3 . 1 1 79 79 PHE C C 79 171.834 171.834 172.572 -0.738 25919 1716 1 3 . 1 1 79 79 PHE CA C 79 59.115 59.115 57.121 1.994 25919 1717 1 3 . 1 1 79 79 PHE CB C 79 42.246 42.246 42.642 -0.396 25919 1718 1 3 . 1 1 79 79 PHE H H 79 7.601 7.601 7.888 -0.287 25919 1719 1 3 . 1 1 80 80 PHE N N 80 126.800 126.800 123.926 2.874 25919 1720 1 3 . 1 1 80 80 PHE HA H 80 4.396 4.396 4.637 -0.241 25919 1721 1 3 . 1 1 80 80 PHE C C 80 173.169 173.169 173.213 -0.044 25919 1722 1 3 . 1 1 80 80 PHE CA C 80 56.859 56.859 56.488 0.371 25919 1723 1 3 . 1 1 80 80 PHE CB C 80 41.946 41.946 42.641 -0.695 25919 1724 1 3 . 1 1 80 80 PHE H H 80 8.504 8.504 8.833 -0.329 25919 1725 1 3 . 1 1 81 81 LEU N N 81 122.590 122.590 125.482 -2.892 25919 1726 1 3 . 1 1 81 81 LEU HA H 81 4.902 4.902 4.528 0.374 25919 1727 1 3 . 1 1 81 81 LEU CA C 81 53.108 53.108 53.882 -0.774 25919 1728 1 3 . 1 1 81 81 LEU CB C 81 45.781 45.781 42.962 2.819 25919 1729 1 3 . 1 1 81 81 LEU H H 81 8.159 8.159 8.499 -0.340 25919 1730 1 3 . 1 1 82 82 LEU N N 82 126.414 126.414 126.680 -0.266 25919 1731 1 3 . 1 1 82 82 LEU HA H 82 4.807 4.807 5.157 -0.350 25919 1732 1 3 . 1 1 82 82 LEU C C 82 174.204 174.204 175.412 -1.208 25919 1733 1 3 . 1 1 82 82 LEU CA C 82 54.200 54.200 53.166 1.034 25919 1734 1 3 . 1 1 82 82 LEU CB C 82 43.650 43.650 44.252 -0.602 25919 1735 1 3 . 1 1 82 82 LEU H H 82 9.347 9.347 9.284 0.063 25919 1736 1 3 . 1 1 83 83 VAL N N 83 123.910 123.910 121.876 2.034 25919 1737 1 3 . 1 1 83 83 VAL HA H 83 4.466 4.466 4.747 -0.281 25919 1738 1 3 . 1 1 83 83 VAL C C 83 175.891 175.891 175.806 0.085 25919 1739 1 3 . 1 1 83 83 VAL CA C 83 61.339 61.339 60.446 0.893 25919 1740 1 3 . 1 1 83 83 VAL CB C 83 34.013 34.013 34.140 -0.127 25919 1741 1 3 . 1 1 83 83 VAL H H 83 8.676 8.676 9.113 -0.437 25919 1742 1 3 . 1 1 84 84 ASN N N 84 127.149 127.149 128.572 -1.423 25919 1743 1 3 . 1 1 84 84 ASN HA H 84 4.384 4.384 4.409 -0.025 25919 1744 1 3 . 1 1 84 84 ASN CA C 84 54.494 54.494 54.415 0.079 25919 1745 1 3 . 1 1 84 84 ASN CB C 84 37.933 37.933 36.599 1.334 25919 1746 1 3 . 1 1 84 84 ASN H H 84 9.630 9.630 9.623 0.007 25919 1747 1 3 . 1 1 85 85 GLY N N 85 101.905 101.905 103.107 -1.202 25919 1748 1 3 . 1 1 85 85 GLY C C 85 175.112 175.112 173.560 1.552 25919 1749 1 3 . 1 1 85 85 GLY CA C 85 45.624 45.624 45.262 0.362 25919 1750 1 3 . 1 1 85 85 GLY H H 85 8.670 8.670 8.664 0.006 25919 1751 1 3 . 1 1 86 86 HIS N N 86 117.905 117.905 119.313 -1.408 25919 1752 1 3 . 1 1 86 86 HIS HA H 86 5.039 5.039 4.895 0.144 25919 1753 1 3 . 1 1 86 86 HIS CA C 86 53.890 53.890 53.838 0.052 25919 1754 1 3 . 1 1 86 86 HIS CB C 86 30.888 30.888 32.268 -1.380 25919 1755 1 3 . 1 1 86 86 HIS H H 86 7.927 7.927 8.001 -0.074 25919 1756 1 3 . 1 1 87 87 SER N N 87 118.646 118.646 118.387 0.259 25919 1757 1 3 . 1 1 87 87 SER HA H 87 4.397 4.397 4.372 0.025 25919 1758 1 3 . 1 1 87 87 SER C C 87 175.275 175.275 174.802 0.473 25919 1759 1 3 . 1 1 87 87 SER CA C 87 58.414 58.414 58.990 -0.576 25919 1760 1 3 . 1 1 87 87 SER CB C 87 63.772 63.772 63.617 0.155 25919 1761 1 3 . 1 1 87 87 SER H H 87 8.927 8.927 8.908 0.019 25919 1762 1 3 . 1 1 88 88 MET N N 88 126.013 126.013 126.510 -0.497 25919 1763 1 3 . 1 1 88 88 MET HA H 88 4.851 4.851 4.785 0.066 25919 1764 1 3 . 1 1 88 88 MET C C 88 178.796 178.796 176.944 1.852 25919 1765 1 3 . 1 1 88 88 MET CA C 88 54.727 54.727 55.290 -0.563 25919 1766 1 3 . 1 1 88 88 MET CB C 88 33.309 33.309 33.450 -0.141 25919 1767 1 3 . 1 1 88 88 MET H H 88 9.088 9.088 8.919 0.169 25919 1768 1 3 . 1 1 89 89 VAL N N 89 121.153 121.153 122.245 -1.092 25919 1769 1 3 . 1 1 89 89 VAL HA H 89 4.057 4.057 3.697 0.360 25919 1770 1 3 . 1 1 89 89 VAL C C 89 176.695 176.695 176.153 0.542 25919 1771 1 3 . 1 1 89 89 VAL CA C 89 63.592 63.592 65.538 -1.946 25919 1772 1 3 . 1 1 89 89 VAL CB C 89 32.422 32.422 32.060 0.362 25919 1773 1 3 . 1 1 89 89 VAL H H 89 8.144 8.144 7.734 0.410 25919 1774 1 3 . 1 1 90 90 SER N N 90 116.778 116.778 110.269 6.509 25919 1775 1 3 . 1 1 90 90 SER HA H 90 4.561 4.561 4.500 0.061 25919 1776 1 3 . 1 1 90 90 SER C C 90 173.898 173.898 174.683 -0.785 25919 1777 1 3 . 1 1 90 90 SER CA C 90 57.895 57.895 57.539 0.356 25919 1778 1 3 . 1 1 90 90 SER CB C 90 63.133 63.133 63.679 -0.547 25919 1779 1 3 . 1 1 90 90 SER H H 90 8.322 8.322 7.945 0.377 25919 1780 1 3 . 1 1 91 91 VAL N N 91 120.735 120.735 124.016 -3.281 25919 1781 1 3 . 1 1 91 91 VAL HA H 91 4.286 4.286 4.185 0.101 25919 1782 1 3 . 1 1 91 91 VAL CA C 91 62.846 62.846 61.732 1.114 25919 1783 1 3 . 1 1 91 91 VAL CB C 91 32.069 32.069 33.402 -1.333 25919 1784 1 3 . 1 1 91 91 VAL H H 91 8.036 8.036 7.605 0.431 25919 1785 1 3 . 1 1 92 92 SER N N 92 118.146 118.146 122.545 -4.399 25919 1786 1 3 . 1 1 92 92 SER HA H 92 4.549 4.549 4.489 0.060 25919 1787 1 3 . 1 1 92 92 SER CA C 92 57.813 57.813 58.449 -0.636 25919 1788 1 3 . 1 1 92 92 SER CB C 92 63.488 63.488 63.371 0.117 25919 1789 1 3 . 1 1 92 92 SER H H 92 8.470 8.470 8.526 -0.056 25919 1790 1 3 . 1 1 93 93 THR N N 93 119.747 119.747 119.283 0.464 25919 1791 1 3 . 1 1 93 93 THR HA H 93 4.467 4.467 4.381 0.086 25919 1792 1 3 . 1 1 93 93 THR CA C 93 61.005 61.005 61.978 -0.973 25919 1793 1 3 . 1 1 93 93 THR CB C 93 70.592 70.592 69.761 0.831 25919 1794 1 3 . 1 1 93 93 THR H H 93 7.382 7.382 7.679 -0.297 25919 1795 1 3 . 1 1 94 94 PRO HA H 94 4.424 4.424 4.508 -0.084 25919 1796 1 3 . 1 1 94 94 PRO CA C 94 63.060 63.060 63.127 -0.067 25919 1797 1 3 . 1 1 94 94 PRO CB C 94 32.798 32.798 32.245 0.553 25919 1798 1 3 . 1 1 95 95 ILE N N 95 124.894 124.894 123.604 1.290 25919 1799 1 3 . 1 1 95 95 ILE HA H 95 3.984 3.984 3.872 0.112 25919 1800 1 3 . 1 1 95 95 ILE CA C 95 63.963 63.963 62.639 1.323 25919 1801 1 3 . 1 1 95 95 ILE CB C 95 38.200 38.200 38.249 -0.049 25919 1802 1 3 . 1 1 95 95 ILE H H 95 9.358 9.358 8.754 0.604 25919 1803 1 3 . 1 1 96 96 SER N N 96 117.523 117.523 115.876 1.647 25919 1804 1 3 . 1 1 96 96 SER HA H 96 4.004 4.004 4.255 -0.251 25919 1805 1 3 . 1 1 96 96 SER CA C 96 61.700 61.700 61.834 -0.134 25919 1806 1 3 . 1 1 96 96 SER CB C 96 61.400 61.400 62.733 -1.333 25919 1807 1 3 . 1 1 96 96 SER H H 96 8.202 8.202 7.917 0.285 25919 1808 1 3 . 1 1 97 97 GLU N N 97 123.657 123.657 122.353 1.304 25919 1809 1 3 . 1 1 97 97 GLU HA H 97 4.282 4.282 4.211 0.071 25919 1810 1 3 . 1 1 97 97 GLU CA C 97 58.700 58.700 58.855 -0.155 25919 1811 1 3 . 1 1 97 97 GLU CB C 97 29.800 29.800 29.356 0.444 25919 1812 1 3 . 1 1 97 97 GLU H H 97 7.301 7.301 7.712 -0.411 25919 1813 1 3 . 1 1 98 98 VAL N N 98 121.907 121.907 120.125 1.782 25919 1814 1 3 . 1 1 98 98 VAL HA H 98 3.797 3.797 3.698 0.099 25919 1815 1 3 . 1 1 98 98 VAL CA C 98 65.949 65.949 66.076 -0.127 25919 1816 1 3 . 1 1 98 98 VAL CB C 98 32.186 32.186 30.812 1.374 25919 1817 1 3 . 1 1 98 98 VAL H H 98 7.410 7.410 7.698 -0.288 25919 1818 1 3 . 1 1 99 99 TYR N N 99 119.526 119.526 121.713 -2.187 25919 1819 1 3 . 1 1 99 99 TYR HA H 99 4.016 4.016 4.007 0.009 25919 1820 1 3 . 1 1 99 99 TYR C C 99 175.741 175.741 177.608 -1.867 25919 1821 1 3 . 1 1 99 99 TYR CA C 99 62.229 62.229 62.304 -0.075 25919 1822 1 3 . 1 1 99 99 TYR CB C 99 38.967 38.967 38.447 0.520 25919 1823 1 3 . 1 1 99 99 TYR H H 99 9.071 9.071 8.653 0.418 25919 1824 1 3 . 1 1 100 100 GLU N N 100 114.405 114.405 116.739 -2.334 25919 1825 1 3 . 1 1 100 100 GLU HA H 100 3.850 3.850 3.531 0.319 25919 1826 1 3 . 1 1 100 100 GLU C C 100 178.094 178.094 179.353 -1.259 25919 1827 1 3 . 1 1 100 100 GLU CA C 100 58.920 58.920 58.774 0.146 25919 1828 1 3 . 1 1 100 100 GLU CB C 100 29.481 29.481 28.820 0.661 25919 1829 1 3 . 1 1 100 100 GLU H H 100 7.342 7.342 8.101 -0.759 25919 1830 1 3 . 1 1 101 101 SER N N 101 109.656 109.656 113.611 -3.955 25919 1831 1 3 . 1 1 101 101 SER HA H 101 4.529 4.529 4.327 0.202 25919 1832 1 3 . 1 1 101 101 SER C C 101 176.681 176.681 176.013 0.668 25919 1833 1 3 . 1 1 101 101 SER CA C 101 60.313 60.313 60.438 -0.125 25919 1834 1 3 . 1 1 101 101 SER CB C 101 64.703 64.703 63.551 1.152 25919 1835 1 3 . 1 1 101 101 SER H H 101 7.410 7.410 7.686 -0.276 25919 1836 1 3 . 1 1 102 102 GLU N N 102 117.283 117.283 118.009 -0.726 25919 1837 1 3 . 1 1 102 102 GLU HA H 102 4.721 4.721 4.634 0.087 25919 1838 1 3 . 1 1 102 102 GLU CA C 102 55.592 55.592 55.220 0.372 25919 1839 1 3 . 1 1 102 102 GLU CB C 102 30.564 30.564 31.363 -0.799 25919 1840 1 3 . 1 1 102 102 GLU H H 102 8.500 8.500 8.168 0.332 25919 1841 1 3 . 1 1 103 103 LYS N N 103 118.772 118.772 119.691 -0.919 25919 1842 1 3 . 1 1 103 103 LYS HA H 103 4.179 4.179 4.398 -0.219 25919 1843 1 3 . 1 1 103 103 LYS C C 103 175.032 175.032 176.245 -1.213 25919 1844 1 3 . 1 1 103 103 LYS CA C 103 57.154 57.154 56.636 0.518 25919 1845 1 3 . 1 1 103 103 LYS CB C 103 32.238 32.238 32.743 -0.505 25919 1846 1 3 . 1 1 103 103 LYS H H 103 7.777 7.777 7.675 0.102 25919 1847 1 3 . 1 1 104 104 ASP N N 104 124.024 124.024 124.205 -0.181 25919 1848 1 3 . 1 1 104 104 ASP HA H 104 5.032 5.032 4.876 0.156 25919 1849 1 3 . 1 1 104 104 ASP C C 104 177.548 177.548 176.004 1.544 25919 1850 1 3 . 1 1 104 104 ASP CA C 104 53.882 53.882 53.139 0.743 25919 1851 1 3 . 1 1 104 104 ASP CB C 104 43.420 43.420 44.279 -0.859 25919 1852 1 3 . 1 1 104 104 ASP H H 104 9.030 9.030 8.495 0.535 25919 1853 1 3 . 1 1 105 105 GLU N N 105 125.669 125.669 120.968 4.701 25919 1854 1 3 . 1 1 105 105 GLU HA H 105 4.179 4.179 4.063 0.116 25919 1855 1 3 . 1 1 105 105 GLU CA C 105 59.526 59.526 59.504 0.022 25919 1856 1 3 . 1 1 105 105 GLU CB C 105 30.036 30.036 29.820 0.216 25919 1857 1 3 . 1 1 105 105 GLU H H 105 8.894 8.894 8.910 -0.016 25919 1858 1 3 . 1 1 106 106 ASP N N 106 119.257 119.257 113.763 5.494 25919 1859 1 3 . 1 1 106 106 ASP HA H 106 4.180 4.180 4.809 -0.629 25919 1860 1 3 . 1 1 106 106 ASP C C 106 176.018 176.018 176.569 -0.551 25919 1861 1 3 . 1 1 106 106 ASP CA C 106 54.750 54.750 54.257 0.493 25919 1862 1 3 . 1 1 106 106 ASP CB C 106 40.250 40.250 40.265 -0.015 25919 1863 1 3 . 1 1 106 106 ASP H H 106 9.838 9.838 8.360 1.478 25919 1864 1 3 . 1 1 107 107 GLY N N 107 106.307 106.307 104.369 1.938 25919 1865 1 3 . 1 1 107 107 GLY CA C 107 45.125 45.125 45.484 -0.359 25919 1866 1 3 . 1 1 107 107 GLY H H 107 7.945 7.945 8.022 -0.077 25919 1867 1 3 . 1 1 108 108 PHE N N 108 124.389 124.389 118.222 6.167 25919 1868 1 3 . 1 1 108 108 PHE HA H 108 4.670 4.670 4.047 0.623 25919 1869 1 3 . 1 1 108 108 PHE C C 108 179.501 179.501 174.855 4.646 25919 1870 1 3 . 1 1 108 108 PHE CA C 108 60.288 60.288 61.227 -0.939 25919 1871 1 3 . 1 1 108 108 PHE CB C 108 40.506 40.506 38.258 2.248 25919 1872 1 3 . 1 1 108 108 PHE H H 108 9.739 9.739 8.541 1.198 25919 1873 1 3 . 1 1 109 109 LEU N N 109 120.814 120.814 119.280 1.534 25919 1874 1 3 . 1 1 109 109 LEU HA H 109 5.038 5.038 4.641 0.397 25919 1875 1 3 . 1 1 109 109 LEU CA C 109 53.479 53.479 53.907 -0.428 25919 1876 1 3 . 1 1 109 109 LEU CB C 109 45.197 45.197 42.387 2.810 25919 1877 1 3 . 1 1 109 109 LEU H H 109 7.968 7.968 8.041 -0.073 25919 1878 1 3 . 1 1 110 110 TYR N N 110 127.403 127.403 125.953 1.450 25919 1879 1 3 . 1 1 110 110 TYR HA H 110 4.907 4.907 4.573 0.334 25919 1880 1 3 . 1 1 110 110 TYR CA C 110 59.259 59.259 59.381 -0.122 25919 1881 1 3 . 1 1 110 110 TYR CB C 110 39.469 39.469 38.466 1.003 25919 1882 1 3 . 1 1 110 110 TYR H H 110 9.349 9.349 8.838 0.511 25919 1883 1 3 . 1 1 111 111 MET N N 111 120.344 120.344 124.340 -3.996 25919 1884 1 3 . 1 1 111 111 MET HA H 111 5.543 5.543 5.580 -0.037 25919 1885 1 3 . 1 1 111 111 MET CA C 111 54.341 54.341 54.375 -0.034 25919 1886 1 3 . 1 1 111 111 MET CB C 111 36.894 36.894 36.068 0.826 25919 1887 1 3 . 1 1 111 111 MET H H 111 9.575 9.575 8.965 0.610 25919 1888 1 3 . 1 1 112 112 VAL N N 112 121.026 121.026 117.104 3.922 25919 1889 1 3 . 1 1 112 112 VAL HA H 112 5.938 5.938 5.460 0.478 25919 1890 1 3 . 1 1 112 112 VAL C C 112 176.696 176.696 173.897 2.799 25919 1891 1 3 . 1 1 112 112 VAL CA C 112 59.068 59.068 59.153 -0.085 25919 1892 1 3 . 1 1 112 112 VAL CB C 112 36.180 36.180 35.724 0.456 25919 1893 1 3 . 1 1 112 112 VAL H H 112 8.730 8.730 9.036 -0.306 25919 1894 1 3 . 1 1 113 113 TYR N N 113 119.995 119.995 121.023 -1.028 25919 1895 1 3 . 1 1 113 113 TYR HA H 113 6.143 6.143 5.764 0.379 25919 1896 1 3 . 1 1 113 113 TYR C C 113 173.533 173.533 173.481 0.052 25919 1897 1 3 . 1 1 113 113 TYR CA C 113 54.165 54.165 54.455 -0.290 25919 1898 1 3 . 1 1 113 113 TYR CB C 113 43.667 43.667 41.905 1.762 25919 1899 1 3 . 1 1 113 113 TYR H H 113 8.172 8.172 8.909 -0.737 25919 1900 1 3 . 1 1 114 114 ALA N N 114 120.454 120.454 123.732 -3.278 25919 1901 1 3 . 1 1 114 114 ALA HA H 114 4.750 4.750 4.854 -0.104 25919 1902 1 3 . 1 1 114 114 ALA C C 114 176.007 176.007 176.203 -0.196 25919 1903 1 3 . 1 1 114 114 ALA CA C 114 51.356 51.356 51.247 0.109 25919 1904 1 3 . 1 1 114 114 ALA CB C 114 24.623 24.623 22.141 2.482 25919 1905 1 3 . 1 1 114 114 ALA H H 114 8.499 8.499 8.646 -0.147 25919 1906 1 3 . 1 1 115 115 SER N N 115 115.279 115.279 114.273 1.006 25919 1907 1 3 . 1 1 115 115 SER HA H 115 4.505 4.505 4.751 -0.246 25919 1908 1 3 . 1 1 115 115 SER C C 115 172.860 172.860 173.990 -1.130 25919 1909 1 3 . 1 1 115 115 SER CA C 115 58.837 58.837 59.212 -0.375 25919 1910 1 3 . 1 1 115 115 SER CB C 115 63.798 63.798 63.269 0.529 25919 1911 1 3 . 1 1 115 115 SER H H 115 9.823 9.823 9.079 0.744 25919 1912 1 3 . 1 1 116 116 GLN N N 116 117.398 117.398 117.975 -0.577 25919 1913 1 3 . 1 1 116 116 GLN HA H 116 4.453 4.453 4.340 0.113 25919 1914 1 3 . 1 1 116 116 GLN C C 116 173.181 173.181 174.115 -0.934 25919 1915 1 3 . 1 1 116 116 GLN CA C 116 54.024 54.024 54.311 -0.287 25919 1916 1 3 . 1 1 116 116 GLN CB C 116 32.179 32.179 31.453 0.726 25919 1917 1 3 . 1 1 116 116 GLN H H 116 7.165 7.165 7.462 -0.297 25919 1918 1 3 . 1 1 117 117 GLU N N 117 118.885 118.885 119.377 -0.492 25919 1919 1 3 . 1 1 117 117 GLU HA H 117 3.224 3.224 3.731 -0.507 25919 1920 1 3 . 1 1 117 117 GLU C C 117 175.451 175.451 175.810 -0.359 25919 1921 1 3 . 1 1 117 117 GLU CA C 117 56.917 56.917 57.817 -0.900 25919 1922 1 3 . 1 1 117 117 GLU CB C 117 30.206 30.206 29.346 0.860 25919 1923 1 3 . 1 1 117 117 GLU H H 117 7.873 7.873 8.267 -0.394 25919 1924 1 3 . 1 1 118 118 THR N N 118 110.883 110.883 111.274 -0.391 25919 1925 1 3 . 1 1 118 118 THR HA H 118 4.074 4.074 4.313 -0.239 25919 1926 1 3 . 1 1 118 118 THR C C 118 173.234 173.234 172.732 0.502 25919 1927 1 3 . 1 1 118 118 THR CA C 118 60.300 60.300 61.794 -1.494 25919 1928 1 3 . 1 1 118 118 THR CB C 118 70.118 70.118 70.314 -0.196 25919 1929 1 3 . 1 1 118 118 THR H H 118 6.988 6.988 7.277 -0.289 25919 1930 1 3 . 1 1 119 119 PHE N N 119 122.773 122.773 124.240 -1.467 25919 1931 1 3 . 1 1 119 119 PHE HA H 119 4.397 4.397 4.804 -0.407 25919 1932 1 3 . 1 1 119 119 PHE C C 119 175.045 175.045 174.367 0.678 25919 1933 1 3 . 1 1 119 119 PHE CA C 119 56.810 56.810 57.639 -0.829 25919 1934 1 3 . 1 1 119 119 PHE CB C 119 39.349 39.349 42.019 -2.670 25919 1935 1 3 . 1 1 119 119 PHE H H 119 8.122 8.122 8.237 -0.115 25919 1936 1 4 . 1 1 2 2 PRO HA H 2 4.424 4.424 4.797 -0.373 25919 1937 1 4 . 1 1 2 2 PRO C C 2 176.917 176.917 177.012 -0.095 25919 1938 1 4 . 1 1 2 2 PRO CA C 2 63.418 63.418 63.070 0.348 25919 1939 1 4 . 1 1 2 2 PRO CB C 2 32.160 32.160 31.937 0.223 25919 1940 1 4 . 1 1 3 3 SER N N 3 116.273 116.273 115.011 1.262 25919 1941 1 4 . 1 1 3 3 SER HA H 3 4.389 4.389 4.337 0.052 25919 1942 1 4 . 1 1 3 3 SER C C 3 174.762 174.762 174.767 -0.005 25919 1943 1 4 . 1 1 3 3 SER CA C 3 58.472 58.472 57.545 0.927 25919 1944 1 4 . 1 1 3 3 SER CB C 3 63.913 63.913 64.098 -0.185 25919 1945 1 4 . 1 1 3 3 SER H H 3 8.366 8.366 7.678 0.688 25919 1946 1 4 . 1 1 4 4 GLU N N 4 123.959 123.959 121.486 2.473 25919 1947 1 4 . 1 1 4 4 GLU HA H 4 4.289 4.289 4.186 0.103 25919 1948 1 4 . 1 1 4 4 GLU C C 4 176.545 176.545 176.481 0.064 25919 1949 1 4 . 1 1 4 4 GLU CA C 4 56.785 56.785 57.674 -0.889 25919 1950 1 4 . 1 1 4 4 GLU CB C 4 30.200 30.200 29.971 0.229 25919 1951 1 4 . 1 1 4 4 GLU H H 4 8.513 8.513 8.425 0.088 25919 1952 1 4 . 1 1 5 5 LYS N N 5 122.165 122.165 122.892 -0.727 25919 1953 1 4 . 1 1 5 5 LYS HA H 5 4.508 4.508 4.074 0.434 25919 1954 1 4 . 1 1 5 5 LYS C C 5 177.178 177.178 175.533 1.645 25919 1955 1 4 . 1 1 5 5 LYS CA C 5 56.000 56.000 56.917 -0.917 25919 1956 1 4 . 1 1 5 5 LYS CB C 5 34.758 34.758 32.723 2.035 25919 1957 1 4 . 1 1 5 5 LYS H H 5 8.198 8.198 8.455 -0.257 25919 1958 1 4 . 1 1 6 6 THR N N 6 115.586 115.586 112.656 2.930 25919 1959 1 4 . 1 1 6 6 THR HA H 6 4.426 4.426 4.394 0.032 25919 1960 1 4 . 1 1 6 6 THR C C 6 175.570 175.570 175.901 -0.331 25919 1961 1 4 . 1 1 6 6 THR CA C 6 61.120 61.120 62.110 -0.990 25919 1962 1 4 . 1 1 6 6 THR CB C 6 69.871 69.871 69.748 0.123 25919 1963 1 4 . 1 1 6 6 THR H H 6 8.423 8.423 8.005 0.418 25919 1964 1 4 . 1 1 7 7 PHE N N 7 126.100 126.100 123.253 2.847 25919 1965 1 4 . 1 1 7 7 PHE HA H 7 3.935 3.935 4.235 -0.300 25919 1966 1 4 . 1 1 7 7 PHE CA C 7 63.687 63.687 60.316 3.371 25919 1967 1 4 . 1 1 7 7 PHE CB C 7 39.656 39.656 39.253 0.403 25919 1968 1 4 . 1 1 7 7 PHE H H 7 10.276 10.276 9.123 1.153 25919 1969 1 4 . 1 1 8 8 LYS N N 8 115.026 115.026 119.835 -4.809 25919 1970 1 4 . 1 1 8 8 LYS HA H 8 3.800 3.800 3.962 -0.162 25919 1971 1 4 . 1 1 8 8 LYS CA C 8 59.944 59.944 58.166 1.778 25919 1972 1 4 . 1 1 8 8 LYS CB C 8 33.852 33.852 32.371 1.481 25919 1973 1 4 . 1 1 8 8 LYS H H 8 8.707 8.707 7.743 0.964 25919 1974 1 4 . 1 1 9 9 GLN N N 9 113.774 113.774 115.245 -1.471 25919 1975 1 4 . 1 1 9 9 GLN HA H 9 4.178 4.178 4.135 0.043 25919 1976 1 4 . 1 1 9 9 GLN C C 9 173.193 173.193 177.427 -4.234 25919 1977 1 4 . 1 1 9 9 GLN CA C 9 56.741 56.741 57.598 -0.857 25919 1978 1 4 . 1 1 9 9 GLN CB C 9 30.065 30.065 28.924 1.141 25919 1979 1 4 . 1 1 9 9 GLN H H 9 7.343 7.343 7.656 -0.313 25919 1980 1 4 . 1 1 10 10 ARG N N 10 119.156 119.156 117.546 1.610 25919 1981 1 4 . 1 1 10 10 ARG HA H 10 4.248 4.248 4.497 -0.249 25919 1982 1 4 . 1 1 10 10 ARG CA C 10 57.555 57.555 56.419 1.136 25919 1983 1 4 . 1 1 10 10 ARG CB C 10 31.771 31.771 32.854 -1.083 25919 1984 1 4 . 1 1 10 10 ARG H H 10 7.912 7.912 7.792 0.120 25919 1985 1 4 . 1 1 11 11 ARG N N 11 120.777 120.777 119.955 0.822 25919 1986 1 4 . 1 1 11 11 ARG HA H 11 4.685 4.685 4.559 0.126 25919 1987 1 4 . 1 1 11 11 ARG CA C 11 53.161 53.161 53.508 -0.346 25919 1988 1 4 . 1 1 11 11 ARG CB C 11 32.773 32.773 31.476 1.297 25919 1989 1 4 . 1 1 11 11 ARG H H 11 7.341 7.341 7.649 -0.308 25919 1990 1 4 . 1 1 12 12 THR N N 12 116.696 116.696 116.198 0.498 25919 1991 1 4 . 1 1 12 12 THR HA H 12 4.358 4.358 4.393 -0.035 25919 1992 1 4 . 1 1 12 12 THR C C 12 175.056 175.056 175.784 -0.728 25919 1993 1 4 . 1 1 12 12 THR CA C 12 61.795 61.795 60.620 1.175 25919 1994 1 4 . 1 1 12 12 THR CB C 12 71.050 71.050 70.225 0.825 25919 1995 1 4 . 1 1 12 12 THR H H 12 8.855 8.855 8.327 0.528 25919 1996 1 4 . 1 1 13 13 PHE N N 13 123.894 123.894 122.741 1.153 25919 1997 1 4 . 1 1 13 13 PHE HA H 13 4.043 4.043 4.144 -0.101 25919 1998 1 4 . 1 1 13 13 PHE C C 13 176.234 176.234 177.089 -0.855 25919 1999 1 4 . 1 1 13 13 PHE CA C 13 62.947 62.947 62.518 0.429 25919 2000 1 4 . 1 1 13 13 PHE CB C 13 39.571 39.571 38.832 0.739 25919 2001 1 4 . 1 1 13 13 PHE H H 13 9.221 9.221 8.936 0.285 25919 2002 1 4 . 1 1 14 14 GLU N N 14 116.516 116.516 116.819 -0.303 25919 2003 1 4 . 1 1 14 14 GLU HA H 14 3.812 3.812 3.797 0.015 25919 2004 1 4 . 1 1 14 14 GLU CA C 14 60.699 60.699 60.228 0.471 25919 2005 1 4 . 1 1 14 14 GLU CB C 14 28.943 28.943 28.780 0.163 25919 2006 1 4 . 1 1 14 14 GLU H H 14 9.002 9.002 8.983 0.019 25919 2007 1 4 . 1 1 15 15 GLN N N 15 119.291 119.291 118.550 0.741 25919 2008 1 4 . 1 1 15 15 GLN HA H 15 4.024 4.024 4.065 -0.041 25919 2009 1 4 . 1 1 15 15 GLN C C 15 175.263 175.263 178.653 -3.390 25919 2010 1 4 . 1 1 15 15 GLN CA C 15 58.800 58.800 58.613 0.187 25919 2011 1 4 . 1 1 15 15 GLN CB C 15 29.300 29.300 28.630 0.670 25919 2012 1 4 . 1 1 15 15 GLN H H 15 7.706 7.706 7.917 -0.211 25919 2013 1 4 . 1 1 16 16 ARG N N 16 122.883 122.883 120.553 2.330 25919 2014 1 4 . 1 1 16 16 ARG HA H 16 4.235 4.235 4.139 0.096 25919 2015 1 4 . 1 1 16 16 ARG CA C 16 61.660 61.660 59.627 2.033 25919 2016 1 4 . 1 1 16 16 ARG CB C 16 30.877 30.877 30.232 0.645 25919 2017 1 4 . 1 1 16 16 ARG H H 16 8.567 8.567 8.367 0.200 25919 2018 1 4 . 1 1 17 17 VAL N N 17 118.523 118.523 120.295 -1.772 25919 2019 1 4 . 1 1 17 17 VAL HA H 17 3.865 3.865 3.594 0.271 25919 2020 1 4 . 1 1 17 17 VAL C C 17 174.213 174.213 177.807 -3.594 25919 2021 1 4 . 1 1 17 17 VAL CA C 17 65.550 65.550 66.911 -1.361 25919 2022 1 4 . 1 1 17 17 VAL CB C 17 32.171 32.171 31.226 0.945 25919 2023 1 4 . 1 1 17 17 VAL H H 17 8.430 8.430 8.163 0.267 25919 2024 1 4 . 1 1 18 18 GLU N N 18 120.170 120.170 119.759 0.411 25919 2025 1 4 . 1 1 18 18 GLU HA H 18 4.212 4.212 3.859 0.353 25919 2026 1 4 . 1 1 18 18 GLU C C 18 175.758 175.758 178.523 -2.765 25919 2027 1 4 . 1 1 18 18 GLU CA C 18 58.488 58.488 59.774 -1.286 25919 2028 1 4 . 1 1 18 18 GLU CB C 18 29.360 29.360 29.187 0.173 25919 2029 1 4 . 1 1 18 18 GLU H H 18 7.423 7.423 7.668 -0.245 25919 2030 1 4 . 1 1 19 19 ASP N N 19 121.273 121.273 120.155 1.118 25919 2031 1 4 . 1 1 19 19 ASP HA H 19 4.384 4.384 4.378 0.006 25919 2032 1 4 . 1 1 19 19 ASP C C 19 177.016 177.016 178.547 -1.531 25919 2033 1 4 . 1 1 19 19 ASP CA C 19 56.900 56.900 57.048 -0.148 25919 2034 1 4 . 1 1 19 19 ASP CB C 19 41.884 41.884 40.580 1.304 25919 2035 1 4 . 1 1 19 19 ASP H H 19 7.955 7.955 7.683 0.272 25919 2036 1 4 . 1 1 20 20 VAL N N 20 119.523 119.523 120.409 -0.886 25919 2037 1 4 . 1 1 20 20 VAL HA H 20 3.232 3.232 3.558 -0.326 25919 2038 1 4 . 1 1 20 20 VAL C C 20 173.876 173.876 177.969 -4.093 25919 2039 1 4 . 1 1 20 20 VAL CA C 20 66.128 66.128 66.620 -0.492 25919 2040 1 4 . 1 1 20 20 VAL CB C 20 31.099 31.099 31.617 -0.518 25919 2041 1 4 . 1 1 20 20 VAL H H 20 7.818 7.818 8.373 -0.555 25919 2042 1 4 . 1 1 21 21 ARG N N 21 120.310 120.310 120.300 0.010 25919 2043 1 4 . 1 1 21 21 ARG HA H 21 3.803 3.803 4.020 -0.217 25919 2044 1 4 . 1 1 21 21 ARG CA C 21 59.934 59.934 59.815 0.119 25919 2045 1 4 . 1 1 21 21 ARG CB C 21 30.076 30.076 30.142 -0.066 25919 2046 1 4 . 1 1 21 21 ARG H H 21 8.037 8.037 7.961 0.076 25919 2047 1 4 . 1 1 22 22 LEU N N 22 118.660 118.660 120.636 -1.976 25919 2048 1 4 . 1 1 22 22 LEU HA H 22 4.094 4.094 3.948 0.146 25919 2049 1 4 . 1 1 22 22 LEU C C 22 177.626 177.626 179.377 -1.751 25919 2050 1 4 . 1 1 22 22 LEU CA C 22 57.738 57.738 58.596 -0.858 25919 2051 1 4 . 1 1 22 22 LEU CB C 22 42.222 42.222 41.670 0.552 25919 2052 1 4 . 1 1 22 22 LEU H H 22 8.050 8.050 8.185 -0.135 25919 2053 1 4 . 1 1 23 23 ILE N N 23 122.825 122.825 119.123 3.702 25919 2054 1 4 . 1 1 23 23 ILE HA H 23 4.122 4.122 3.583 0.538 25919 2055 1 4 . 1 1 23 23 ILE C C 23 176.226 176.226 178.109 -1.883 25919 2056 1 4 . 1 1 23 23 ILE CA C 23 61.243 61.243 63.916 -2.673 25919 2057 1 4 . 1 1 23 23 ILE CB C 23 38.268 38.268 36.840 1.427 25919 2058 1 4 . 1 1 23 23 ILE H H 23 8.390 8.390 8.326 0.064 25919 2059 1 4 . 1 1 24 24 ARG N N 24 122.365 122.365 120.352 2.013 25919 2060 1 4 . 1 1 24 24 ARG HA H 24 4.017 4.017 3.922 0.095 25919 2061 1 4 . 1 1 24 24 ARG CA C 24 57.684 57.684 57.927 -0.243 25919 2062 1 4 . 1 1 24 24 ARG CB C 24 28.817 28.817 29.605 -0.788 25919 2063 1 4 . 1 1 24 24 ARG H H 24 8.540 8.540 8.239 0.301 25919 2064 1 4 . 1 1 25 25 GLU N N 25 118.383 118.383 116.931 1.452 25919 2065 1 4 . 1 1 25 25 GLU HA H 25 4.044 4.044 4.088 -0.044 25919 2066 1 4 . 1 1 25 25 GLU CA C 25 58.680 58.680 58.599 0.081 25919 2067 1 4 . 1 1 25 25 GLU CB C 25 29.850 29.850 29.512 0.338 25919 2068 1 4 . 1 1 25 25 GLU H H 25 7.287 7.287 8.093 -0.806 25919 2069 1 4 . 1 1 26 26 GLN N N 26 117.165 117.165 116.329 0.836 25919 2070 1 4 . 1 1 26 26 GLN HA H 26 3.948 3.948 4.139 -0.191 25919 2071 1 4 . 1 1 26 26 GLN C C 26 176.221 176.221 176.907 -0.686 25919 2072 1 4 . 1 1 26 26 GLN CA C 26 57.638 57.638 57.074 0.564 25919 2073 1 4 . 1 1 26 26 GLN CB C 26 30.320 30.320 29.604 0.716 25919 2074 1 4 . 1 1 26 26 GLN H H 26 7.423 7.423 7.467 -0.044 25919 2075 1 4 . 1 1 27 27 HIS N N 27 117.140 117.140 118.053 -0.913 25919 2076 1 4 . 1 1 27 27 HIS HA H 27 4.866 4.866 4.980 -0.114 25919 2077 1 4 . 1 1 27 27 HIS CA C 27 53.305 53.305 52.511 0.794 25919 2078 1 4 . 1 1 27 27 HIS CB C 27 30.917 30.917 29.875 1.042 25919 2079 1 4 . 1 1 27 27 HIS H H 27 8.254 8.254 7.956 0.298 25919 2080 1 4 . 1 1 28 28 PRO HA H 28 4.609 4.609 4.432 0.177 25919 2081 1 4 . 1 1 28 28 PRO CA C 28 64.881 64.881 64.622 0.259 25919 2082 1 4 . 1 1 28 28 PRO CB C 28 32.554 32.554 32.183 0.371 25919 2083 1 4 . 1 1 29 29 THR N N 29 107.339 107.339 109.240 -1.901 25919 2084 1 4 . 1 1 29 29 THR HA H 29 4.644 4.644 4.160 0.484 25919 2085 1 4 . 1 1 29 29 THR C C 29 172.933 172.933 174.341 -1.408 25919 2086 1 4 . 1 1 29 29 THR CA C 29 60.600 60.600 62.982 -2.382 25919 2087 1 4 . 1 1 29 29 THR CB C 29 68.520 68.520 68.726 -0.206 25919 2088 1 4 . 1 1 29 29 THR H H 29 7.764 7.764 8.358 -0.594 25919 2089 1 4 . 1 1 30 30 LYS N N 30 118.273 118.273 119.926 -1.653 25919 2090 1 4 . 1 1 30 30 LYS HA H 30 4.926 4.926 5.037 -0.111 25919 2091 1 4 . 1 1 30 30 LYS C C 30 175.010 175.010 174.685 0.325 25919 2092 1 4 . 1 1 30 30 LYS CA C 30 53.740 53.740 54.444 -0.704 25919 2093 1 4 . 1 1 30 30 LYS CB C 30 36.445 36.445 36.379 0.066 25919 2094 1 4 . 1 1 30 30 LYS H H 30 7.478 7.478 7.538 -0.060 25919 2095 1 4 . 1 1 31 31 ILE N N 31 123.498 123.498 122.767 0.731 25919 2096 1 4 . 1 1 31 31 ILE HA H 31 4.139 4.139 4.365 -0.226 25919 2097 1 4 . 1 1 31 31 ILE CA C 31 54.669 54.669 56.561 -1.892 25919 2098 1 4 . 1 1 31 31 ILE CB C 31 38.427 38.427 37.621 0.806 25919 2099 1 4 . 1 1 31 31 ILE H H 31 9.235 9.235 8.850 0.385 25919 2100 1 4 . 1 1 32 32 PRO HA H 32 5.212 5.212 4.393 0.819 25919 2101 1 4 . 1 1 32 32 PRO C C 32 174.832 174.832 175.483 -0.651 25919 2102 1 4 . 1 1 32 32 PRO CA C 32 61.678 61.678 62.808 -1.130 25919 2103 1 4 . 1 1 32 32 PRO CB C 32 30.993 30.993 31.559 -0.567 25919 2104 1 4 . 1 1 33 33 VAL N N 33 124.964 124.964 124.386 0.578 25919 2105 1 4 . 1 1 33 33 VAL HA H 33 5.234 5.234 4.930 0.304 25919 2106 1 4 . 1 1 33 33 VAL CA C 33 59.611 59.611 60.877 -1.266 25919 2107 1 4 . 1 1 33 33 VAL CB C 33 35.711 35.711 35.242 0.469 25919 2108 1 4 . 1 1 33 33 VAL H H 33 9.289 9.289 8.778 0.511 25919 2109 1 4 . 1 1 34 34 ILE N N 34 127.908 127.908 125.797 2.111 25919 2110 1 4 . 1 1 34 34 ILE HA H 34 4.742 4.742 4.117 0.625 25919 2111 1 4 . 1 1 34 34 ILE CA C 34 56.330 56.330 58.630 -2.300 25919 2112 1 4 . 1 1 34 34 ILE CB C 34 36.629 36.629 38.441 -1.812 25919 2113 1 4 . 1 1 34 34 ILE H H 34 8.594 8.594 8.567 0.027 25919 2114 1 4 . 1 1 35 35 ILE N N 35 125.405 125.405 127.009 -1.604 25919 2115 1 4 . 1 1 35 35 ILE HA H 35 4.879 4.879 5.106 -0.227 25919 2116 1 4 . 1 1 35 35 ILE C C 35 176.126 176.126 173.964 2.162 25919 2117 1 4 . 1 1 35 35 ILE CA C 35 60.923 60.923 59.258 1.665 25919 2118 1 4 . 1 1 35 35 ILE CB C 35 38.968 38.968 40.650 -1.682 25919 2119 1 4 . 1 1 35 35 ILE H H 35 8.545 8.545 8.425 0.120 25919 2120 1 4 . 1 1 36 36 GLU N N 36 124.153 124.153 128.397 -4.244 25919 2121 1 4 . 1 1 36 36 GLU HA H 36 4.789 4.789 4.917 -0.128 25919 2122 1 4 . 1 1 36 36 GLU C C 36 173.645 173.645 175.461 -1.816 25919 2123 1 4 . 1 1 36 36 GLU CA C 36 54.282 54.282 54.501 -0.219 25919 2124 1 4 . 1 1 36 36 GLU CB C 36 35.401 35.401 33.944 1.458 25919 2125 1 4 . 1 1 36 36 GLU H H 36 8.363 8.363 8.636 -0.273 25919 2126 1 4 . 1 1 37 37 ARG N N 37 123.957 123.957 127.671 -3.714 25919 2127 1 4 . 1 1 37 37 ARG HA H 37 2.804 2.804 4.481 -1.677 25919 2128 1 4 . 1 1 37 37 ARG C C 37 176.456 176.456 176.458 -0.002 25919 2129 1 4 . 1 1 37 37 ARG CA C 37 56.120 56.120 56.794 -0.674 25919 2130 1 4 . 1 1 37 37 ARG CB C 37 31.500 31.500 30.967 0.533 25919 2131 1 4 . 1 1 37 37 ARG H H 37 8.853 8.853 8.965 -0.112 25919 2132 1 4 . 1 1 38 38 TYR N N 38 129.636 129.636 128.031 1.605 25919 2133 1 4 . 1 1 38 38 TYR HA H 38 4.311 4.311 4.348 -0.037 25919 2134 1 4 . 1 1 38 38 TYR CA C 38 57.907 57.907 59.520 -1.613 25919 2135 1 4 . 1 1 38 38 TYR CB C 38 39.567 39.567 39.594 -0.027 25919 2136 1 4 . 1 1 38 38 TYR H H 38 8.663 8.663 8.633 0.030 25919 2137 1 4 . 1 1 39 39 LYS N N 39 130.772 130.772 125.629 5.143 25919 2138 1 4 . 1 1 39 39 LYS HA H 39 3.848 3.848 3.784 0.064 25919 2139 1 4 . 1 1 39 39 LYS CA C 39 58.986 58.986 58.918 0.068 25919 2140 1 4 . 1 1 39 39 LYS CB C 39 31.777 31.777 31.907 -0.130 25919 2141 1 4 . 1 1 39 39 LYS H H 39 8.389 8.389 8.183 0.206 25919 2142 1 4 . 1 1 40 40 GLY N N 40 106.013 106.013 102.061 3.952 25919 2143 1 4 . 1 1 40 40 GLY C C 40 173.407 173.407 174.320 -0.913 25919 2144 1 4 . 1 1 40 40 GLY CA C 40 44.796 44.796 44.746 0.050 25919 2145 1 4 . 1 1 40 40 GLY H H 40 5.643 5.643 6.597 -0.954 25919 2146 1 4 . 1 1 41 41 GLU N N 41 123.519 123.519 119.936 3.583 25919 2147 1 4 . 1 1 41 41 GLU HA H 41 4.265 4.265 4.490 -0.225 25919 2148 1 4 . 1 1 41 41 GLU C C 41 176.231 176.231 175.708 0.523 25919 2149 1 4 . 1 1 41 41 GLU CA C 41 56.365 56.365 55.721 0.644 25919 2150 1 4 . 1 1 41 41 GLU CB C 41 31.077 31.077 31.372 -0.295 25919 2151 1 4 . 1 1 41 41 GLU H H 41 7.464 7.464 7.057 0.407 25919 2152 1 4 . 1 1 42 42 LYS N N 42 124.405 124.405 125.072 -0.667 25919 2153 1 4 . 1 1 42 42 LYS HA H 42 4.669 4.669 4.420 0.249 25919 2154 1 4 . 1 1 42 42 LYS C C 42 177.170 177.170 177.159 0.011 25919 2155 1 4 . 1 1 42 42 LYS CA C 42 55.750 55.750 55.624 0.126 25919 2156 1 4 . 1 1 42 42 LYS CB C 42 34.929 34.929 31.768 3.161 25919 2157 1 4 . 1 1 42 42 LYS H H 42 8.895 8.895 8.543 0.352 25919 2158 1 4 . 1 1 43 43 GLN N N 43 119.903 119.903 118.471 1.432 25919 2159 1 4 . 1 1 43 43 GLN HA H 43 4.541 4.541 4.081 0.460 25919 2160 1 4 . 1 1 43 43 GLN C C 43 177.260 177.260 176.166 1.094 25919 2161 1 4 . 1 1 43 43 GLN CA C 43 57.566 57.566 57.760 -0.194 25919 2162 1 4 . 1 1 43 43 GLN CB C 43 30.620 30.620 28.763 1.857 25919 2163 1 4 . 1 1 43 43 GLN H H 43 8.459 8.459 8.260 0.199 25919 2164 1 4 . 1 1 44 44 LEU N N 44 121.272 121.272 119.835 1.437 25919 2165 1 4 . 1 1 44 44 LEU HA H 44 4.726 4.726 4.592 0.134 25919 2166 1 4 . 1 1 44 44 LEU CA C 44 53.165 53.165 52.299 0.866 25919 2167 1 4 . 1 1 44 44 LEU CB C 44 43.444 43.444 41.397 2.047 25919 2168 1 4 . 1 1 44 44 LEU H H 44 9.002 9.002 8.091 0.911 25919 2169 1 4 . 1 1 45 45 PRO HA H 45 4.722 4.722 4.577 0.145 25919 2170 1 4 . 1 1 45 45 PRO CA C 45 62.169 62.169 63.085 -0.916 25919 2171 1 4 . 1 1 45 45 PRO CB C 45 32.722 32.722 32.218 0.504 25919 2172 1 4 . 1 1 46 46 VAL N N 46 118.403 118.403 125.827 -7.424 25919 2173 1 4 . 1 1 46 46 VAL HA H 46 4.009 4.009 4.344 -0.335 25919 2174 1 4 . 1 1 46 46 VAL C C 46 173.416 173.416 175.044 -1.628 25919 2175 1 4 . 1 1 46 46 VAL CA C 46 62.413 62.413 61.151 1.262 25919 2176 1 4 . 1 1 46 46 VAL CB C 46 33.087 33.087 31.660 1.427 25919 2177 1 4 . 1 1 46 46 VAL H H 46 8.349 8.349 8.642 -0.293 25919 2178 1 4 . 1 1 47 47 LEU N N 47 128.653 128.653 122.837 5.816 25919 2179 1 4 . 1 1 47 47 LEU HA H 47 4.452 4.452 4.302 0.150 25919 2180 1 4 . 1 1 47 47 LEU CA C 47 54.758 54.758 56.186 -1.428 25919 2181 1 4 . 1 1 47 47 LEU CB C 47 44.076 44.076 42.037 2.039 25919 2182 1 4 . 1 1 47 47 LEU H H 47 8.064 8.064 7.699 0.365 25919 2183 1 4 . 1 1 48 48 ASP N N 48 121.042 121.042 121.685 -0.643 25919 2184 1 4 . 1 1 48 48 ASP HA H 48 4.347 4.347 4.379 -0.032 25919 2185 1 4 . 1 1 48 48 ASP CA C 48 55.600 55.600 57.261 -1.661 25919 2186 1 4 . 1 1 48 48 ASP CB C 48 40.407 40.407 39.936 0.471 25919 2187 1 4 . 1 1 48 48 ASP H H 48 8.649 8.649 8.937 -0.288 25919 2188 1 4 . 1 1 49 49 LYS N N 49 118.877 118.877 119.243 -0.366 25919 2189 1 4 . 1 1 49 49 LYS HA H 49 4.541 4.541 4.567 -0.026 25919 2190 1 4 . 1 1 49 49 LYS C C 49 179.744 179.744 176.016 3.728 25919 2191 1 4 . 1 1 49 49 LYS CA C 49 54.099 54.099 55.731 -1.632 25919 2192 1 4 . 1 1 49 49 LYS CB C 49 35.378 35.378 33.694 1.684 25919 2193 1 4 . 1 1 49 49 LYS H H 49 7.287 7.287 7.853 -0.566 25919 2194 1 4 . 1 1 50 50 THR N N 50 114.691 114.691 111.357 3.334 25919 2195 1 4 . 1 1 50 50 THR HA H 50 4.628 4.628 4.752 -0.124 25919 2196 1 4 . 1 1 50 50 THR CA C 50 63.920 63.920 61.177 2.743 25919 2197 1 4 . 1 1 50 50 THR CB C 50 71.365 71.365 70.626 0.739 25919 2198 1 4 . 1 1 50 50 THR H H 50 8.064 8.064 8.498 -0.434 25919 2199 1 4 . 1 1 51 51 LYS N N 51 120.273 120.273 120.281 -0.008 25919 2200 1 4 . 1 1 51 51 LYS HA H 51 4.570 4.570 4.460 0.110 25919 2201 1 4 . 1 1 51 51 LYS CA C 51 54.997 54.997 55.124 -0.127 25919 2202 1 4 . 1 1 51 51 LYS CB C 51 32.700 32.700 35.946 -3.246 25919 2203 1 4 . 1 1 51 51 LYS H H 51 7.192 7.192 7.194 -0.002 25919 2204 1 4 . 1 1 52 52 PHE N N 52 121.816 121.816 116.860 4.956 25919 2205 1 4 . 1 1 52 52 PHE HA H 52 5.503 5.503 4.829 0.674 25919 2206 1 4 . 1 1 52 52 PHE CA C 52 56.104 56.104 56.572 -0.468 25919 2207 1 4 . 1 1 52 52 PHE CB C 52 43.188 43.188 41.347 1.841 25919 2208 1 4 . 1 1 52 52 PHE H H 52 9.466 9.466 8.652 0.814 25919 2209 1 4 . 1 1 53 53 LEU N N 53 120.846 120.846 124.164 -3.318 25919 2210 1 4 . 1 1 53 53 LEU HA H 53 5.135 5.135 4.789 0.346 25919 2211 1 4 . 1 1 53 53 LEU C C 53 175.042 175.042 176.649 -1.607 25919 2212 1 4 . 1 1 53 53 LEU CA C 53 52.916 52.916 54.074 -1.158 25919 2213 1 4 . 1 1 53 53 LEU CB C 53 45.242 45.242 42.745 2.497 25919 2214 1 4 . 1 1 53 53 LEU H H 53 8.608 8.608 8.494 0.114 25919 2215 1 4 . 1 1 54 54 VAL N N 54 123.773 123.773 124.736 -0.963 25919 2216 1 4 . 1 1 54 54 VAL HA H 54 4.755 4.755 4.622 0.133 25919 2217 1 4 . 1 1 54 54 VAL CA C 54 58.622 58.622 58.340 0.282 25919 2218 1 4 . 1 1 54 54 VAL CB C 54 35.150 35.150 34.666 0.484 25919 2219 1 4 . 1 1 54 54 VAL H H 54 8.801 8.801 8.834 -0.033 25919 2220 1 4 . 1 1 55 55 PRO HA H 55 4.435 4.435 4.836 -0.401 25919 2221 1 4 . 1 1 55 55 PRO C C 55 176.427 176.427 178.144 -1.717 25919 2222 1 4 . 1 1 55 55 PRO CA C 55 64.298 64.298 62.221 2.077 25919 2223 1 4 . 1 1 55 55 PRO CB C 55 32.822 32.822 32.951 -0.129 25919 2224 1 4 . 1 1 56 56 ASP N N 56 121.214 121.214 123.519 -2.305 25919 2225 1 4 . 1 1 56 56 ASP HA H 56 3.880 3.880 4.256 -0.376 25919 2226 1 4 . 1 1 56 56 ASP CA C 56 56.742 56.742 57.593 -0.851 25919 2227 1 4 . 1 1 56 56 ASP CB C 56 40.481 40.481 40.851 -0.370 25919 2228 1 4 . 1 1 56 56 ASP H H 56 8.336 8.336 8.188 0.148 25919 2229 1 4 . 1 1 57 57 HIS N N 57 114.277 114.277 117.786 -3.509 25919 2230 1 4 . 1 1 57 57 HIS HA H 57 4.772 4.772 4.373 0.399 25919 2231 1 4 . 1 1 57 57 HIS C C 57 174.806 174.806 175.656 -0.850 25919 2232 1 4 . 1 1 57 57 HIS CA C 57 55.688 55.688 57.684 -1.996 25919 2233 1 4 . 1 1 57 57 HIS CB C 57 30.450 30.450 29.878 0.572 25919 2234 1 4 . 1 1 57 57 HIS H H 57 7.464 7.464 8.317 -0.853 25919 2235 1 4 . 1 1 58 58 VAL N N 58 123.531 123.531 120.781 2.750 25919 2236 1 4 . 1 1 58 58 VAL HA H 58 3.909 3.909 3.906 0.003 25919 2237 1 4 . 1 1 58 58 VAL C C 58 177.148 177.148 175.058 2.090 25919 2238 1 4 . 1 1 58 58 VAL CA C 58 62.900 62.900 63.015 -0.115 25919 2239 1 4 . 1 1 58 58 VAL CB C 58 32.320 32.320 31.548 0.772 25919 2240 1 4 . 1 1 58 58 VAL H H 58 7.261 7.261 7.836 -0.575 25919 2241 1 4 . 1 1 59 59 ASN N N 59 124.147 124.147 124.912 -0.765 25919 2242 1 4 . 1 1 59 59 ASN HA H 59 5.174 5.174 5.006 0.168 25919 2243 1 4 . 1 1 59 59 ASN C C 59 175.176 175.176 175.941 -0.765 25919 2244 1 4 . 1 1 59 59 ASN CA C 59 51.374 51.374 51.517 -0.143 25919 2245 1 4 . 1 1 59 59 ASN CB C 59 40.038 40.038 39.962 0.076 25919 2246 1 4 . 1 1 59 59 ASN H H 59 8.819 8.819 8.196 0.623 25919 2247 1 4 . 1 1 60 60 MET N N 60 117.583 117.583 119.701 -2.118 25919 2248 1 4 . 1 1 60 60 MET HA H 60 4.425 4.425 4.162 0.263 25919 2249 1 4 . 1 1 60 60 MET CA C 60 57.271 57.271 58.530 -1.259 25919 2250 1 4 . 1 1 60 60 MET CB C 60 30.063 30.063 32.793 -2.730 25919 2251 1 4 . 1 1 60 60 MET H H 60 8.023 8.023 8.267 -0.244 25919 2252 1 4 . 1 1 61 61 SER N N 61 115.027 115.027 115.101 -0.074 25919 2253 1 4 . 1 1 61 61 SER HA H 61 4.138 4.138 4.249 -0.111 25919 2254 1 4 . 1 1 61 61 SER C C 61 178.809 178.809 176.868 1.941 25919 2255 1 4 . 1 1 61 61 SER CA C 61 61.553 61.553 60.729 0.824 25919 2256 1 4 . 1 1 61 61 SER CB C 61 62.581 62.581 62.897 -0.316 25919 2257 1 4 . 1 1 61 61 SER H H 61 8.350 8.350 8.023 0.327 25919 2258 1 4 . 1 1 62 62 GLU N N 62 123.657 123.657 123.174 0.483 25919 2259 1 4 . 1 1 62 62 GLU HA H 62 3.979 3.979 4.060 -0.081 25919 2260 1 4 . 1 1 62 62 GLU C C 62 176.456 176.456 178.283 -1.827 25919 2261 1 4 . 1 1 62 62 GLU CA C 62 58.726 58.726 58.657 0.069 25919 2262 1 4 . 1 1 62 62 GLU CB C 62 29.700 29.700 29.346 0.354 25919 2263 1 4 . 1 1 62 62 GLU H H 62 7.994 7.994 8.147 -0.153 25919 2264 1 4 . 1 1 63 63 LEU N N 63 121.225 121.225 121.123 0.102 25919 2265 1 4 . 1 1 63 63 LEU HA H 63 3.949 3.949 3.884 0.065 25919 2266 1 4 . 1 1 63 63 LEU C C 63 178.113 178.113 178.699 -0.586 25919 2267 1 4 . 1 1 63 63 LEU CA C 63 57.860 57.860 58.055 -0.195 25919 2268 1 4 . 1 1 63 63 LEU CB C 63 41.526 41.526 41.650 -0.124 25919 2269 1 4 . 1 1 63 63 LEU H H 63 8.223 8.223 8.150 0.073 25919 2270 1 4 . 1 1 64 64 ILE N N 64 119.273 119.273 119.449 -0.176 25919 2271 1 4 . 1 1 64 64 ILE HA H 64 3.375 3.375 3.630 -0.255 25919 2272 1 4 . 1 1 64 64 ILE CA C 64 66.723 66.723 66.003 0.720 25919 2273 1 4 . 1 1 64 64 ILE CB C 64 38.161 38.161 37.626 0.535 25919 2274 1 4 . 1 1 64 64 ILE H H 64 8.301 8.301 8.227 0.074 25919 2275 1 4 . 1 1 65 65 LYS N N 65 119.143 119.143 120.434 -1.291 25919 2276 1 4 . 1 1 65 65 LYS HA H 65 3.703 3.703 3.982 -0.279 25919 2277 1 4 . 1 1 65 65 LYS C C 65 173.869 173.869 179.210 -5.341 25919 2278 1 4 . 1 1 65 65 LYS CA C 65 60.451 60.451 59.812 0.639 25919 2279 1 4 . 1 1 65 65 LYS CB C 65 32.300 32.300 32.432 -0.132 25919 2280 1 4 . 1 1 65 65 LYS H H 65 7.300 7.300 7.734 -0.434 25919 2281 1 4 . 1 1 66 66 ILE N N 66 120.527 120.527 120.648 -0.121 25919 2282 1 4 . 1 1 66 66 ILE HA H 66 3.541 3.541 3.748 -0.207 25919 2283 1 4 . 1 1 66 66 ILE C C 66 176.459 176.459 177.215 -0.756 25919 2284 1 4 . 1 1 66 66 ILE CA C 66 65.290 65.290 64.067 1.222 25919 2285 1 4 . 1 1 66 66 ILE CB C 66 38.254 38.254 37.496 0.758 25919 2286 1 4 . 1 1 66 66 ILE H H 66 8.048 8.048 8.061 -0.013 25919 2287 1 4 . 1 1 67 67 ILE N N 67 121.527 121.527 121.066 0.461 25919 2288 1 4 . 1 1 67 67 ILE HA H 67 3.336 3.336 3.605 -0.269 25919 2289 1 4 . 1 1 67 67 ILE C C 67 178.102 178.102 178.145 -0.043 25919 2290 1 4 . 1 1 67 67 ILE CA C 67 63.952 63.952 64.222 -0.270 25919 2291 1 4 . 1 1 67 67 ILE CB C 67 35.891 35.891 36.555 -0.664 25919 2292 1 4 . 1 1 67 67 ILE H H 67 8.308 8.308 7.942 0.366 25919 2293 1 4 . 1 1 68 68 ARG N N 68 119.384 119.384 119.303 0.081 25919 2294 1 4 . 1 1 68 68 ARG HA H 68 2.970 2.970 3.689 -0.719 25919 2295 1 4 . 1 1 68 68 ARG C C 68 172.723 172.723 178.073 -5.350 25919 2296 1 4 . 1 1 68 68 ARG CA C 68 60.704 60.704 58.361 2.343 25919 2297 1 4 . 1 1 68 68 ARG CB C 68 30.320 30.320 29.244 1.077 25919 2298 1 4 . 1 1 68 68 ARG H H 68 8.336 8.336 8.596 -0.260 25919 2299 1 4 . 1 1 69 69 ARG N N 69 117.648 117.648 119.144 -1.496 25919 2300 1 4 . 1 1 69 69 ARG HA H 69 4.138 4.138 4.059 0.079 25919 2301 1 4 . 1 1 69 69 ARG C C 69 172.480 172.480 177.962 -5.482 25919 2302 1 4 . 1 1 69 69 ARG CA C 69 58.645 58.645 58.665 -0.020 25919 2303 1 4 . 1 1 69 69 ARG CB C 69 29.779 29.779 30.182 -0.403 25919 2304 1 4 . 1 1 69 69 ARG H H 69 7.432 7.432 7.631 -0.199 25919 2305 1 4 . 1 1 70 70 ARG N N 70 124.006 124.006 117.933 6.073 25919 2306 1 4 . 1 1 70 70 ARG HA H 70 4.074 4.074 4.202 -0.128 25919 2307 1 4 . 1 1 70 70 ARG C C 70 178.799 178.799 177.404 1.395 25919 2308 1 4 . 1 1 70 70 ARG CA C 70 58.385 58.385 57.280 1.105 25919 2309 1 4 . 1 1 70 70 ARG CB C 70 30.043 30.043 30.757 -0.714 25919 2310 1 4 . 1 1 70 70 ARG H H 70 8.212 8.212 7.972 0.240 25919 2311 1 4 . 1 1 71 71 LEU N N 71 117.764 117.764 119.545 -1.781 25919 2312 1 4 . 1 1 71 71 LEU HA H 71 4.085 4.085 4.396 -0.311 25919 2313 1 4 . 1 1 71 71 LEU CA C 71 55.063 55.063 54.150 0.913 25919 2314 1 4 . 1 1 71 71 LEU CB C 71 43.100 43.100 42.391 0.709 25919 2315 1 4 . 1 1 71 71 LEU H H 71 7.750 7.750 8.022 -0.272 25919 2316 1 4 . 1 1 72 72 GLN N N 72 115.522 115.522 121.804 -6.282 25919 2317 1 4 . 1 1 72 72 GLN HA H 72 3.839 3.839 4.202 -0.363 25919 2318 1 4 . 1 1 72 72 GLN C C 72 175.744 175.744 175.294 0.450 25919 2319 1 4 . 1 1 72 72 GLN CA C 72 56.409 56.409 56.005 0.404 25919 2320 1 4 . 1 1 72 72 GLN CB C 72 25.959 25.959 27.191 -1.232 25919 2321 1 4 . 1 1 72 72 GLN H H 72 7.751 7.751 8.638 -0.887 25919 2322 1 4 . 1 1 73 73 LEU N N 73 115.900 115.900 121.362 -5.462 25919 2323 1 4 . 1 1 73 73 LEU HA H 73 4.254 4.254 4.344 -0.090 25919 2324 1 4 . 1 1 73 73 LEU C C 73 178.568 178.568 176.440 2.128 25919 2325 1 4 . 1 1 73 73 LEU CA C 73 54.468 54.468 54.830 -0.362 25919 2326 1 4 . 1 1 73 73 LEU CB C 73 42.050 42.050 42.601 -0.551 25919 2327 1 4 . 1 1 73 73 LEU H H 73 7.573 7.573 7.622 -0.049 25919 2328 1 4 . 1 1 74 74 ASN N N 74 122.154 122.154 117.857 4.297 25919 2329 1 4 . 1 1 74 74 ASN HA H 74 4.684 4.684 4.763 -0.079 25919 2330 1 4 . 1 1 74 74 ASN C C 74 174.122 174.122 175.931 -1.809 25919 2331 1 4 . 1 1 74 74 ASN CA C 74 52.724 52.724 52.552 0.172 25919 2332 1 4 . 1 1 74 74 ASN CB C 74 39.579 39.579 40.979 -1.400 25919 2333 1 4 . 1 1 74 74 ASN H H 74 8.949 8.949 8.147 0.802 25919 2334 1 4 . 1 1 75 75 ALA N N 75 124.274 124.274 124.771 -0.497 25919 2335 1 4 . 1 1 75 75 ALA HA H 75 3.972 3.972 4.180 -0.208 25919 2336 1 4 . 1 1 75 75 ALA C C 75 178.113 178.113 178.172 -0.059 25919 2337 1 4 . 1 1 75 75 ALA CA C 75 54.900 54.900 54.266 0.634 25919 2338 1 4 . 1 1 75 75 ALA CB C 75 18.708 18.708 18.824 -0.116 25919 2339 1 4 . 1 1 75 75 ALA H H 75 8.690 8.690 8.732 -0.042 25919 2340 1 4 . 1 1 76 76 ASN N N 76 112.911 112.911 115.170 -2.259 25919 2341 1 4 . 1 1 76 76 ASN HA H 76 4.589 4.589 4.647 -0.058 25919 2342 1 4 . 1 1 76 76 ASN C C 76 175.515 175.515 175.663 -0.148 25919 2343 1 4 . 1 1 76 76 ASN CA C 76 53.276 53.276 54.304 -1.028 25919 2344 1 4 . 1 1 76 76 ASN CB C 76 38.343 38.343 38.978 -0.636 25919 2345 1 4 . 1 1 76 76 ASN H H 76 8.340 8.340 8.360 -0.020 25919 2346 1 4 . 1 1 77 77 GLN N N 77 121.144 121.144 119.271 1.873 25919 2347 1 4 . 1 1 77 77 GLN HA H 77 4.287 4.287 4.496 -0.209 25919 2348 1 4 . 1 1 77 77 GLN C C 77 175.053 175.053 175.079 -0.026 25919 2349 1 4 . 1 1 77 77 GLN CA C 77 55.856 55.856 54.645 1.211 25919 2350 1 4 . 1 1 77 77 GLN CB C 77 30.320 30.320 29.246 1.074 25919 2351 1 4 . 1 1 77 77 GLN H H 77 7.546 7.546 7.725 -0.179 25919 2352 1 4 . 1 1 78 78 ALA N N 78 131.146 131.146 126.815 4.331 25919 2353 1 4 . 1 1 78 78 ALA HA H 78 4.179 4.179 4.375 -0.196 25919 2354 1 4 . 1 1 78 78 ALA C C 78 176.453 176.453 176.187 0.266 25919 2355 1 4 . 1 1 78 78 ALA CA C 78 52.852 52.852 52.142 0.710 25919 2356 1 4 . 1 1 78 78 ALA CB C 78 20.074 20.074 19.751 0.323 25919 2357 1 4 . 1 1 78 78 ALA H H 78 8.730 8.730 8.439 0.291 25919 2358 1 4 . 1 1 79 79 PHE N N 79 119.860 119.860 124.487 -4.627 25919 2359 1 4 . 1 1 79 79 PHE HA H 79 4.453 4.453 5.162 -0.709 25919 2360 1 4 . 1 1 79 79 PHE C C 79 171.834 171.834 173.019 -1.185 25919 2361 1 4 . 1 1 79 79 PHE CA C 79 59.115 59.115 57.145 1.970 25919 2362 1 4 . 1 1 79 79 PHE CB C 79 42.246 42.246 42.431 -0.185 25919 2363 1 4 . 1 1 79 79 PHE H H 79 7.601 7.601 8.130 -0.529 25919 2364 1 4 . 1 1 80 80 PHE N N 80 126.800 126.800 124.225 2.575 25919 2365 1 4 . 1 1 80 80 PHE HA H 80 4.396 4.396 4.369 0.027 25919 2366 1 4 . 1 1 80 80 PHE C C 80 173.169 173.169 173.405 -0.236 25919 2367 1 4 . 1 1 80 80 PHE CA C 80 56.859 56.859 56.764 0.095 25919 2368 1 4 . 1 1 80 80 PHE CB C 80 41.946 41.946 43.760 -1.814 25919 2369 1 4 . 1 1 80 80 PHE H H 80 8.504 8.504 9.110 -0.606 25919 2370 1 4 . 1 1 81 81 LEU N N 81 122.590 122.590 123.447 -0.857 25919 2371 1 4 . 1 1 81 81 LEU HA H 81 4.902 4.902 4.622 0.280 25919 2372 1 4 . 1 1 81 81 LEU CA C 81 53.108 53.108 54.044 -0.936 25919 2373 1 4 . 1 1 81 81 LEU CB C 81 45.781 45.781 41.857 3.924 25919 2374 1 4 . 1 1 81 81 LEU H H 81 8.159 8.159 8.510 -0.351 25919 2375 1 4 . 1 1 82 82 LEU N N 82 126.414 126.414 125.586 0.828 25919 2376 1 4 . 1 1 82 82 LEU HA H 82 4.807 4.807 4.433 0.374 25919 2377 1 4 . 1 1 82 82 LEU C C 82 174.204 174.204 176.765 -2.561 25919 2378 1 4 . 1 1 82 82 LEU CA C 82 54.200 54.200 54.306 -0.106 25919 2379 1 4 . 1 1 82 82 LEU CB C 82 43.650 43.650 41.115 2.535 25919 2380 1 4 . 1 1 82 82 LEU H H 82 9.347 9.347 9.073 0.274 25919 2381 1 4 . 1 1 83 83 VAL N N 83 123.910 123.910 126.314 -2.404 25919 2382 1 4 . 1 1 83 83 VAL HA H 83 4.466 4.466 4.249 0.217 25919 2383 1 4 . 1 1 83 83 VAL C C 83 175.891 175.891 176.246 -0.355 25919 2384 1 4 . 1 1 83 83 VAL CA C 83 61.339 61.339 62.870 -1.531 25919 2385 1 4 . 1 1 83 83 VAL CB C 83 34.013 34.013 32.482 1.531 25919 2386 1 4 . 1 1 83 83 VAL H H 83 8.676 8.676 8.222 0.454 25919 2387 1 4 . 1 1 84 84 ASN N N 84 127.149 127.149 128.720 -1.571 25919 2388 1 4 . 1 1 84 84 ASN HA H 84 4.384 4.384 4.523 -0.139 25919 2389 1 4 . 1 1 84 84 ASN CA C 84 54.494 54.494 54.168 0.326 25919 2390 1 4 . 1 1 84 84 ASN CB C 84 37.933 37.933 37.692 0.241 25919 2391 1 4 . 1 1 84 84 ASN H H 84 9.630 9.630 9.360 0.270 25919 2392 1 4 . 1 1 85 85 GLY N N 85 101.905 101.905 103.195 -1.290 25919 2393 1 4 . 1 1 85 85 GLY C C 85 175.112 175.112 172.598 2.514 25919 2394 1 4 . 1 1 85 85 GLY CA C 85 45.624 45.624 45.424 0.200 25919 2395 1 4 . 1 1 85 85 GLY H H 85 8.670 8.670 8.157 0.513 25919 2396 1 4 . 1 1 86 86 HIS N N 86 117.905 117.905 118.843 -0.938 25919 2397 1 4 . 1 1 86 86 HIS HA H 86 5.039 5.039 4.860 0.179 25919 2398 1 4 . 1 1 86 86 HIS CA C 86 53.890 53.890 54.155 -0.265 25919 2399 1 4 . 1 1 86 86 HIS CB C 86 30.888 30.888 33.047 -2.159 25919 2400 1 4 . 1 1 86 86 HIS H H 86 7.927 7.927 7.711 0.216 25919 2401 1 4 . 1 1 87 87 SER N N 87 118.646 118.646 117.816 0.830 25919 2402 1 4 . 1 1 87 87 SER HA H 87 4.397 4.397 4.230 0.167 25919 2403 1 4 . 1 1 87 87 SER C C 87 175.275 175.275 174.511 0.764 25919 2404 1 4 . 1 1 87 87 SER CA C 87 58.414 58.414 58.406 0.008 25919 2405 1 4 . 1 1 87 87 SER CB C 87 63.772 63.772 63.496 0.276 25919 2406 1 4 . 1 1 87 87 SER H H 87 8.927 8.927 7.685 1.242 25919 2407 1 4 . 1 1 88 88 MET N N 88 126.013 126.013 125.926 0.087 25919 2408 1 4 . 1 1 88 88 MET HA H 88 4.851 4.851 4.710 0.141 25919 2409 1 4 . 1 1 88 88 MET C C 88 178.796 178.796 176.542 2.254 25919 2410 1 4 . 1 1 88 88 MET CA C 88 54.727 54.727 55.175 -0.447 25919 2411 1 4 . 1 1 88 88 MET CB C 88 33.309 33.309 33.416 -0.107 25919 2412 1 4 . 1 1 88 88 MET H H 88 9.088 9.088 8.992 0.096 25919 2413 1 4 . 1 1 89 89 VAL N N 89 121.153 121.153 120.225 0.928 25919 2414 1 4 . 1 1 89 89 VAL HA H 89 4.057 4.057 3.726 0.331 25919 2415 1 4 . 1 1 89 89 VAL C C 89 176.695 176.695 176.346 0.349 25919 2416 1 4 . 1 1 89 89 VAL CA C 89 63.592 63.592 66.023 -2.431 25919 2417 1 4 . 1 1 89 89 VAL CB C 89 32.422 32.422 31.227 1.195 25919 2418 1 4 . 1 1 89 89 VAL H H 89 8.144 8.144 7.492 0.652 25919 2419 1 4 . 1 1 90 90 SER N N 90 116.778 116.778 113.108 3.670 25919 2420 1 4 . 1 1 90 90 SER HA H 90 4.561 4.561 4.379 0.182 25919 2421 1 4 . 1 1 90 90 SER C C 90 173.898 173.898 175.025 -1.127 25919 2422 1 4 . 1 1 90 90 SER CA C 90 57.895 57.895 58.285 -0.390 25919 2423 1 4 . 1 1 90 90 SER CB C 90 63.133 63.133 63.240 -0.107 25919 2424 1 4 . 1 1 90 90 SER H H 90 8.322 8.322 8.140 0.182 25919 2425 1 4 . 1 1 91 91 VAL N N 91 120.735 120.735 124.207 -3.472 25919 2426 1 4 . 1 1 91 91 VAL HA H 91 4.286 4.286 4.075 0.211 25919 2427 1 4 . 1 1 91 91 VAL CA C 91 62.846 62.846 62.664 0.182 25919 2428 1 4 . 1 1 91 91 VAL CB C 91 32.069 32.069 32.549 -0.480 25919 2429 1 4 . 1 1 91 91 VAL H H 91 8.036 8.036 7.491 0.545 25919 2430 1 4 . 1 1 92 92 SER N N 92 118.146 118.146 121.573 -3.427 25919 2431 1 4 . 1 1 92 92 SER HA H 92 4.549 4.549 4.426 0.123 25919 2432 1 4 . 1 1 92 92 SER CA C 92 57.813 57.813 58.718 -0.905 25919 2433 1 4 . 1 1 92 92 SER CB C 92 63.488 63.488 63.333 0.155 25919 2434 1 4 . 1 1 92 92 SER H H 92 8.470 8.470 8.668 -0.199 25919 2435 1 4 . 1 1 93 93 THR N N 93 119.747 119.747 119.507 0.240 25919 2436 1 4 . 1 1 93 93 THR HA H 93 4.467 4.467 4.512 -0.045 25919 2437 1 4 . 1 1 93 93 THR CA C 93 61.005 61.005 60.327 0.678 25919 2438 1 4 . 1 1 93 93 THR CB C 93 70.592 70.592 69.371 1.221 25919 2439 1 4 . 1 1 93 93 THR H H 93 7.382 7.382 7.566 -0.184 25919 2440 1 4 . 1 1 94 94 PRO HA H 94 4.424 4.424 4.364 0.060 25919 2441 1 4 . 1 1 94 94 PRO CA C 94 63.060 63.060 63.583 -0.522 25919 2442 1 4 . 1 1 94 94 PRO CB C 94 32.798 32.798 32.339 0.459 25919 2443 1 4 . 1 1 95 95 ILE N N 95 124.894 124.894 123.565 1.329 25919 2444 1 4 . 1 1 95 95 ILE HA H 95 3.984 3.984 3.893 0.091 25919 2445 1 4 . 1 1 95 95 ILE CA C 95 63.963 63.963 62.765 1.198 25919 2446 1 4 . 1 1 95 95 ILE CB C 95 38.200 38.200 38.220 -0.020 25919 2447 1 4 . 1 1 95 95 ILE H H 95 9.358 9.358 8.696 0.662 25919 2448 1 4 . 1 1 96 96 SER N N 96 117.523 117.523 115.310 2.213 25919 2449 1 4 . 1 1 96 96 SER HA H 96 4.004 4.004 4.334 -0.330 25919 2450 1 4 . 1 1 96 96 SER CA C 96 61.700 61.700 61.864 -0.163 25919 2451 1 4 . 1 1 96 96 SER CB C 96 61.400 61.400 62.772 -1.372 25919 2452 1 4 . 1 1 96 96 SER H H 96 8.202 8.202 8.588 -0.386 25919 2453 1 4 . 1 1 97 97 GLU N N 97 123.657 123.657 122.745 0.912 25919 2454 1 4 . 1 1 97 97 GLU HA H 97 4.282 4.282 4.255 0.027 25919 2455 1 4 . 1 1 97 97 GLU CA C 97 58.700 58.700 58.762 -0.062 25919 2456 1 4 . 1 1 97 97 GLU CB C 97 29.800 29.800 29.347 0.453 25919 2457 1 4 . 1 1 97 97 GLU H H 97 7.301 7.301 7.796 -0.495 25919 2458 1 4 . 1 1 98 98 VAL N N 98 121.907 121.907 120.638 1.269 25919 2459 1 4 . 1 1 98 98 VAL HA H 98 3.797 3.797 3.748 0.049 25919 2460 1 4 . 1 1 98 98 VAL CA C 98 65.949 65.949 66.445 -0.496 25919 2461 1 4 . 1 1 98 98 VAL CB C 98 32.186 32.186 31.096 1.089 25919 2462 1 4 . 1 1 98 98 VAL H H 98 7.410 7.410 8.311 -0.901 25919 2463 1 4 . 1 1 99 99 TYR N N 99 119.526 119.526 121.823 -2.297 25919 2464 1 4 . 1 1 99 99 TYR HA H 99 4.016 4.016 4.039 -0.023 25919 2465 1 4 . 1 1 99 99 TYR C C 99 175.741 175.741 177.087 -1.346 25919 2466 1 4 . 1 1 99 99 TYR CA C 99 62.229 62.229 62.016 0.213 25919 2467 1 4 . 1 1 99 99 TYR CB C 99 38.967 38.967 38.556 0.411 25919 2468 1 4 . 1 1 99 99 TYR H H 99 9.071 9.071 8.577 0.494 25919 2469 1 4 . 1 1 100 100 GLU N N 100 114.405 114.405 118.543 -4.138 25919 2470 1 4 . 1 1 100 100 GLU HA H 100 3.850 3.850 3.615 0.235 25919 2471 1 4 . 1 1 100 100 GLU C C 100 178.094 178.094 178.485 -0.391 25919 2472 1 4 . 1 1 100 100 GLU CA C 100 58.920 58.920 58.465 0.455 25919 2473 1 4 . 1 1 100 100 GLU CB C 100 29.481 29.481 28.927 0.554 25919 2474 1 4 . 1 1 100 100 GLU H H 100 7.342 7.342 8.214 -0.872 25919 2475 1 4 . 1 1 101 101 SER N N 101 109.656 109.656 114.656 -5.000 25919 2476 1 4 . 1 1 101 101 SER HA H 101 4.529 4.529 4.312 0.217 25919 2477 1 4 . 1 1 101 101 SER C C 101 176.681 176.681 175.527 1.154 25919 2478 1 4 . 1 1 101 101 SER CA C 101 60.313 60.313 60.871 -0.558 25919 2479 1 4 . 1 1 101 101 SER CB C 101 64.703 64.703 63.886 0.817 25919 2480 1 4 . 1 1 101 101 SER H H 101 7.410 7.410 7.707 -0.297 25919 2481 1 4 . 1 1 102 102 GLU N N 102 117.283 117.283 118.026 -0.743 25919 2482 1 4 . 1 1 102 102 GLU HA H 102 4.721 4.721 4.627 0.094 25919 2483 1 4 . 1 1 102 102 GLU CA C 102 55.592 55.592 55.191 0.401 25919 2484 1 4 . 1 1 102 102 GLU CB C 102 30.564 30.564 30.144 0.420 25919 2485 1 4 . 1 1 102 102 GLU H H 102 8.500 8.500 7.864 0.636 25919 2486 1 4 . 1 1 103 103 LYS N N 103 118.772 118.772 119.913 -1.141 25919 2487 1 4 . 1 1 103 103 LYS HA H 103 4.179 4.179 4.388 -0.209 25919 2488 1 4 . 1 1 103 103 LYS C C 103 175.032 175.032 176.695 -1.663 25919 2489 1 4 . 1 1 103 103 LYS CA C 103 57.154 57.154 56.525 0.629 25919 2490 1 4 . 1 1 103 103 LYS CB C 103 32.238 32.238 31.808 0.430 25919 2491 1 4 . 1 1 103 103 LYS H H 103 7.777 7.777 7.613 0.164 25919 2492 1 4 . 1 1 104 104 ASP N N 104 124.024 124.024 125.377 -1.353 25919 2493 1 4 . 1 1 104 104 ASP HA H 104 5.032 5.032 4.609 0.423 25919 2494 1 4 . 1 1 104 104 ASP C C 104 177.548 177.548 177.377 0.171 25919 2495 1 4 . 1 1 104 104 ASP CA C 104 53.882 53.882 53.849 0.033 25919 2496 1 4 . 1 1 104 104 ASP CB C 104 43.420 43.420 42.706 0.714 25919 2497 1 4 . 1 1 104 104 ASP H H 104 9.030 9.030 8.531 0.499 25919 2498 1 4 . 1 1 105 105 GLU N N 105 125.669 125.669 119.911 5.758 25919 2499 1 4 . 1 1 105 105 GLU HA H 105 4.179 4.179 4.123 0.056 25919 2500 1 4 . 1 1 105 105 GLU CA C 105 59.526 59.526 58.481 1.045 25919 2501 1 4 . 1 1 105 105 GLU CB C 105 30.036 30.036 29.931 0.105 25919 2502 1 4 . 1 1 105 105 GLU H H 105 8.894 8.894 8.731 0.163 25919 2503 1 4 . 1 1 106 106 ASP N N 106 119.257 119.257 115.341 3.916 25919 2504 1 4 . 1 1 106 106 ASP HA H 106 4.180 4.180 4.892 -0.712 25919 2505 1 4 . 1 1 106 106 ASP C C 106 176.018 176.018 176.476 -0.458 25919 2506 1 4 . 1 1 106 106 ASP CA C 106 54.750 54.750 54.306 0.444 25919 2507 1 4 . 1 1 106 106 ASP CB C 106 40.250 40.250 44.315 -4.065 25919 2508 1 4 . 1 1 106 106 ASP H H 106 9.838 9.838 8.322 1.516 25919 2509 1 4 . 1 1 107 107 GLY N N 107 106.307 106.307 109.145 -2.838 25919 2510 1 4 . 1 1 107 107 GLY CA C 107 45.125 45.125 44.337 0.787 25919 2511 1 4 . 1 1 107 107 GLY H H 107 7.945 7.945 8.656 -0.711 25919 2512 1 4 . 1 1 108 108 PHE N N 108 124.389 124.389 118.231 6.158 25919 2513 1 4 . 1 1 108 108 PHE HA H 108 4.670 4.670 4.655 0.015 25919 2514 1 4 . 1 1 108 108 PHE C C 108 179.501 179.501 175.556 3.945 25919 2515 1 4 . 1 1 108 108 PHE CA C 108 60.288 60.288 61.165 -0.877 25919 2516 1 4 . 1 1 108 108 PHE CB C 108 40.506 40.506 39.613 0.893 25919 2517 1 4 . 1 1 108 108 PHE H H 108 9.739 9.739 8.567 1.172 25919 2518 1 4 . 1 1 109 109 LEU N N 109 120.814 120.814 114.862 5.952 25919 2519 1 4 . 1 1 109 109 LEU HA H 109 5.038 5.038 4.954 0.084 25919 2520 1 4 . 1 1 109 109 LEU CA C 109 53.479 53.479 54.186 -0.707 25919 2521 1 4 . 1 1 109 109 LEU CB C 109 45.197 45.197 46.291 -1.094 25919 2522 1 4 . 1 1 109 109 LEU H H 109 7.968 7.968 7.821 0.147 25919 2523 1 4 . 1 1 110 110 TYR N N 110 127.403 127.403 123.319 4.084 25919 2524 1 4 . 1 1 110 110 TYR HA H 110 4.907 4.907 5.270 -0.363 25919 2525 1 4 . 1 1 110 110 TYR CA C 110 59.259 59.259 56.958 2.301 25919 2526 1 4 . 1 1 110 110 TYR CB C 110 39.469 39.469 42.028 -2.559 25919 2527 1 4 . 1 1 110 110 TYR H H 110 9.349 9.349 9.172 0.177 25919 2528 1 4 . 1 1 111 111 MET N N 111 120.344 120.344 121.525 -1.181 25919 2529 1 4 . 1 1 111 111 MET HA H 111 5.543 5.543 5.124 0.419 25919 2530 1 4 . 1 1 111 111 MET CA C 111 54.341 54.341 54.687 -0.346 25919 2531 1 4 . 1 1 111 111 MET CB C 111 36.894 36.894 36.129 0.765 25919 2532 1 4 . 1 1 111 111 MET H H 111 9.575 9.575 9.160 0.415 25919 2533 1 4 . 1 1 112 112 VAL N N 112 121.026 121.026 124.692 -3.666 25919 2534 1 4 . 1 1 112 112 VAL HA H 112 5.938 5.938 4.755 1.183 25919 2535 1 4 . 1 1 112 112 VAL C C 112 176.696 176.696 175.675 1.021 25919 2536 1 4 . 1 1 112 112 VAL CA C 112 59.068 59.068 61.909 -2.841 25919 2537 1 4 . 1 1 112 112 VAL CB C 112 36.180 36.180 32.058 4.122 25919 2538 1 4 . 1 1 112 112 VAL H H 112 8.730 8.730 9.103 -0.373 25919 2539 1 4 . 1 1 113 113 TYR N N 113 119.995 119.995 131.066 -11.071 25919 2540 1 4 . 1 1 113 113 TYR HA H 113 6.143 6.143 5.381 0.762 25919 2541 1 4 . 1 1 113 113 TYR C C 113 173.533 173.533 173.946 -0.413 25919 2542 1 4 . 1 1 113 113 TYR CA C 113 54.165 54.165 56.116 -1.951 25919 2543 1 4 . 1 1 113 113 TYR CB C 113 43.667 43.667 39.061 4.606 25919 2544 1 4 . 1 1 113 113 TYR H H 113 8.172 8.172 9.233 -1.061 25919 2545 1 4 . 1 1 114 114 ALA N N 114 120.454 120.454 130.578 -10.124 25919 2546 1 4 . 1 1 114 114 ALA HA H 114 4.750 4.750 4.990 -0.240 25919 2547 1 4 . 1 1 114 114 ALA C C 114 176.007 176.007 176.153 -0.146 25919 2548 1 4 . 1 1 114 114 ALA CA C 114 51.356 51.356 50.823 0.533 25919 2549 1 4 . 1 1 114 114 ALA CB C 114 24.623 24.623 22.519 2.104 25919 2550 1 4 . 1 1 114 114 ALA H H 114 8.499 8.499 8.935 -0.436 25919 2551 1 4 . 1 1 115 115 SER N N 115 115.279 115.279 113.857 1.422 25919 2552 1 4 . 1 1 115 115 SER HA H 115 4.505 4.505 4.862 -0.357 25919 2553 1 4 . 1 1 115 115 SER C C 115 172.860 172.860 174.461 -1.601 25919 2554 1 4 . 1 1 115 115 SER CA C 115 58.837 58.837 58.995 -0.158 25919 2555 1 4 . 1 1 115 115 SER CB C 115 63.798 63.798 63.679 0.119 25919 2556 1 4 . 1 1 115 115 SER H H 115 9.823 9.823 8.844 0.979 25919 2557 1 4 . 1 1 116 116 GLN N N 116 117.398 117.398 119.116 -1.718 25919 2558 1 4 . 1 1 116 116 GLN HA H 116 4.453 4.453 4.433 0.020 25919 2559 1 4 . 1 1 116 116 GLN C C 116 173.181 173.181 175.005 -1.824 25919 2560 1 4 . 1 1 116 116 GLN CA C 116 54.024 54.024 54.975 -0.951 25919 2561 1 4 . 1 1 116 116 GLN CB C 116 32.179 32.179 30.535 1.644 25919 2562 1 4 . 1 1 116 116 GLN H H 116 7.165 7.165 7.551 -0.386 25919 2563 1 4 . 1 1 117 117 GLU N N 117 118.885 118.885 119.945 -1.060 25919 2564 1 4 . 1 1 117 117 GLU HA H 117 3.224 3.224 2.490 0.734 25919 2565 1 4 . 1 1 117 117 GLU C C 117 175.451 175.451 175.361 0.090 25919 2566 1 4 . 1 1 117 117 GLU CA C 117 56.917 56.917 57.376 -0.459 25919 2567 1 4 . 1 1 117 117 GLU CB C 117 30.206 30.206 29.501 0.705 25919 2568 1 4 . 1 1 117 117 GLU H H 117 7.873 7.873 8.261 -0.388 25919 2569 1 4 . 1 1 118 118 THR N N 118 110.883 110.883 107.914 2.969 25919 2570 1 4 . 1 1 118 118 THR HA H 118 4.074 4.074 4.030 0.044 25919 2571 1 4 . 1 1 118 118 THR C C 118 173.234 173.234 173.843 -0.609 25919 2572 1 4 . 1 1 118 118 THR CA C 118 60.300 60.300 60.702 -0.402 25919 2573 1 4 . 1 1 118 118 THR CB C 118 70.118 70.118 69.560 0.558 25919 2574 1 4 . 1 1 118 118 THR H H 118 6.988 6.988 7.105 -0.117 25919 2575 1 4 . 1 1 119 119 PHE N N 119 122.773 122.773 123.104 -0.331 25919 2576 1 4 . 1 1 119 119 PHE HA H 119 4.397 4.397 4.585 -0.188 25919 2577 1 4 . 1 1 119 119 PHE C C 119 175.045 175.045 176.607 -1.562 25919 2578 1 4 . 1 1 119 119 PHE CA C 119 56.810 56.810 57.535 -0.725 25919 2579 1 4 . 1 1 119 119 PHE CB C 119 39.349 39.349 38.416 0.933 25919 2580 1 4 . 1 1 119 119 PHE H H 119 8.122 8.122 8.184 -0.062 25919 2581 1 5 . 1 1 2 2 PRO HA H 2 4.424 4.424 4.767 -0.343 25919 2582 1 5 . 1 1 2 2 PRO C C 2 176.917 176.917 176.472 0.445 25919 2583 1 5 . 1 1 2 2 PRO CA C 2 63.418 63.418 63.171 0.247 25919 2584 1 5 . 1 1 2 2 PRO CB C 2 32.160 32.160 31.978 0.182 25919 2585 1 5 . 1 1 3 3 SER N N 3 116.273 116.273 115.184 1.089 25919 2586 1 5 . 1 1 3 3 SER HA H 3 4.389 4.389 4.219 0.170 25919 2587 1 5 . 1 1 3 3 SER C C 3 174.762 174.762 174.535 0.227 25919 2588 1 5 . 1 1 3 3 SER CA C 3 58.472 58.472 58.195 0.277 25919 2589 1 5 . 1 1 3 3 SER CB C 3 63.913 63.913 63.633 0.280 25919 2590 1 5 . 1 1 3 3 SER H H 3 8.366 8.366 7.709 0.657 25919 2591 1 5 . 1 1 4 4 GLU N N 4 123.959 123.959 122.340 1.619 25919 2592 1 5 . 1 1 4 4 GLU HA H 4 4.289 4.289 4.178 0.111 25919 2593 1 5 . 1 1 4 4 GLU C C 4 176.545 176.545 176.198 0.347 25919 2594 1 5 . 1 1 4 4 GLU CA C 4 56.785 56.785 57.588 -0.803 25919 2595 1 5 . 1 1 4 4 GLU CB C 4 30.200 30.200 29.728 0.472 25919 2596 1 5 . 1 1 4 4 GLU H H 4 8.513 8.513 8.491 0.022 25919 2597 1 5 . 1 1 5 5 LYS N N 5 122.165 122.165 119.490 2.675 25919 2598 1 5 . 1 1 5 5 LYS HA H 5 4.508 4.508 3.977 0.531 25919 2599 1 5 . 1 1 5 5 LYS C C 5 177.178 177.178 175.855 1.323 25919 2600 1 5 . 1 1 5 5 LYS CA C 5 56.000 56.000 56.496 -0.496 25919 2601 1 5 . 1 1 5 5 LYS CB C 5 34.758 34.758 32.040 2.718 25919 2602 1 5 . 1 1 5 5 LYS H H 5 8.198 8.198 8.267 -0.069 25919 2603 1 5 . 1 1 6 6 THR N N 6 115.586 115.586 114.033 1.553 25919 2604 1 5 . 1 1 6 6 THR HA H 6 4.426 4.426 4.306 0.120 25919 2605 1 5 . 1 1 6 6 THR C C 6 175.570 175.570 176.160 -0.590 25919 2606 1 5 . 1 1 6 6 THR CA C 6 61.120 61.120 61.529 -0.409 25919 2607 1 5 . 1 1 6 6 THR CB C 6 69.871 69.871 69.486 0.385 25919 2608 1 5 . 1 1 6 6 THR H H 6 8.423 8.423 8.080 0.343 25919 2609 1 5 . 1 1 7 7 PHE N N 7 126.100 126.100 122.877 3.223 25919 2610 1 5 . 1 1 7 7 PHE HA H 7 3.935 3.935 4.248 -0.313 25919 2611 1 5 . 1 1 7 7 PHE CA C 7 63.687 63.687 59.788 3.899 25919 2612 1 5 . 1 1 7 7 PHE CB C 7 39.656 39.656 37.913 1.743 25919 2613 1 5 . 1 1 7 7 PHE H H 7 10.276 10.276 8.605 1.671 25919 2614 1 5 . 1 1 8 8 LYS N N 8 115.026 115.026 122.498 -7.472 25919 2615 1 5 . 1 1 8 8 LYS HA H 8 3.800 3.800 4.232 -0.432 25919 2616 1 5 . 1 1 8 8 LYS CA C 8 59.944 59.944 57.694 2.250 25919 2617 1 5 . 1 1 8 8 LYS CB C 8 33.852 33.852 31.337 2.514 25919 2618 1 5 . 1 1 8 8 LYS H H 8 8.707 8.707 7.801 0.906 25919 2619 1 5 . 1 1 9 9 GLN N N 9 113.774 113.774 117.225 -3.451 25919 2620 1 5 . 1 1 9 9 GLN HA H 9 4.178 4.178 4.098 0.080 25919 2621 1 5 . 1 1 9 9 GLN C C 9 173.193 173.193 177.387 -4.194 25919 2622 1 5 . 1 1 9 9 GLN CA C 9 56.741 56.741 57.967 -1.226 25919 2623 1 5 . 1 1 9 9 GLN CB C 9 30.065 30.065 29.190 0.875 25919 2624 1 5 . 1 1 9 9 GLN H H 9 7.343 7.343 7.775 -0.432 25919 2625 1 5 . 1 1 10 10 ARG N N 10 119.156 119.156 116.430 2.726 25919 2626 1 5 . 1 1 10 10 ARG HA H 10 4.248 4.248 4.468 -0.220 25919 2627 1 5 . 1 1 10 10 ARG CA C 10 57.555 57.555 56.436 1.119 25919 2628 1 5 . 1 1 10 10 ARG CB C 10 31.771 31.771 32.578 -0.807 25919 2629 1 5 . 1 1 10 10 ARG H H 10 7.912 7.912 7.973 -0.061 25919 2630 1 5 . 1 1 11 11 ARG N N 11 120.777 120.777 120.571 0.206 25919 2631 1 5 . 1 1 11 11 ARG HA H 11 4.685 4.685 5.122 -0.437 25919 2632 1 5 . 1 1 11 11 ARG CA C 11 53.161 53.161 54.199 -1.038 25919 2633 1 5 . 1 1 11 11 ARG CB C 11 32.773 32.773 32.099 0.674 25919 2634 1 5 . 1 1 11 11 ARG H H 11 7.341 7.341 8.343 -1.002 25919 2635 1 5 . 1 1 12 12 THR N N 12 116.696 116.696 112.022 4.674 25919 2636 1 5 . 1 1 12 12 THR HA H 12 4.358 4.358 4.813 -0.455 25919 2637 1 5 . 1 1 12 12 THR C C 12 175.056 175.056 175.145 -0.089 25919 2638 1 5 . 1 1 12 12 THR CA C 12 61.795 61.795 59.471 2.324 25919 2639 1 5 . 1 1 12 12 THR CB C 12 71.050 71.050 72.160 -1.110 25919 2640 1 5 . 1 1 12 12 THR H H 12 8.855 8.855 8.012 0.843 25919 2641 1 5 . 1 1 13 13 PHE N N 13 123.894 123.894 123.230 0.664 25919 2642 1 5 . 1 1 13 13 PHE HA H 13 4.043 4.043 4.159 -0.116 25919 2643 1 5 . 1 1 13 13 PHE C C 13 176.234 176.234 176.636 -0.402 25919 2644 1 5 . 1 1 13 13 PHE CA C 13 62.947 62.947 62.531 0.416 25919 2645 1 5 . 1 1 13 13 PHE CB C 13 39.571 39.571 39.305 0.266 25919 2646 1 5 . 1 1 13 13 PHE H H 13 9.221 9.221 9.095 0.126 25919 2647 1 5 . 1 1 14 14 GLU N N 14 116.516 116.516 117.870 -1.354 25919 2648 1 5 . 1 1 14 14 GLU HA H 14 3.812 3.812 3.854 -0.042 25919 2649 1 5 . 1 1 14 14 GLU CA C 14 60.699 60.699 59.591 1.108 25919 2650 1 5 . 1 1 14 14 GLU CB C 14 28.943 28.943 29.123 -0.180 25919 2651 1 5 . 1 1 14 14 GLU H H 14 9.002 9.002 9.003 -0.001 25919 2652 1 5 . 1 1 15 15 GLN N N 15 119.291 119.291 118.653 0.638 25919 2653 1 5 . 1 1 15 15 GLN HA H 15 4.024 4.024 4.094 -0.070 25919 2654 1 5 . 1 1 15 15 GLN C C 15 175.263 175.263 178.719 -3.456 25919 2655 1 5 . 1 1 15 15 GLN CA C 15 58.800 58.800 58.768 0.032 25919 2656 1 5 . 1 1 15 15 GLN CB C 15 29.300 29.300 28.711 0.589 25919 2657 1 5 . 1 1 15 15 GLN H H 15 7.706 7.706 7.894 -0.188 25919 2658 1 5 . 1 1 16 16 ARG N N 16 122.883 122.883 119.959 2.924 25919 2659 1 5 . 1 1 16 16 ARG HA H 16 4.235 4.235 4.069 0.166 25919 2660 1 5 . 1 1 16 16 ARG CA C 16 61.660 61.660 58.576 3.084 25919 2661 1 5 . 1 1 16 16 ARG CB C 16 30.877 30.877 30.051 0.826 25919 2662 1 5 . 1 1 16 16 ARG H H 16 8.567 8.567 8.414 0.153 25919 2663 1 5 . 1 1 17 17 VAL N N 17 118.523 118.523 119.505 -0.982 25919 2664 1 5 . 1 1 17 17 VAL HA H 17 3.865 3.865 3.583 0.282 25919 2665 1 5 . 1 1 17 17 VAL C C 17 174.213 174.213 177.623 -3.410 25919 2666 1 5 . 1 1 17 17 VAL CA C 17 65.550 65.550 66.679 -1.129 25919 2667 1 5 . 1 1 17 17 VAL CB C 17 32.171 32.171 31.426 0.745 25919 2668 1 5 . 1 1 17 17 VAL H H 17 8.430 8.430 8.043 0.387 25919 2669 1 5 . 1 1 18 18 GLU N N 18 120.170 120.170 120.156 0.014 25919 2670 1 5 . 1 1 18 18 GLU HA H 18 4.212 4.212 3.944 0.268 25919 2671 1 5 . 1 1 18 18 GLU C C 18 175.758 175.758 178.508 -2.750 25919 2672 1 5 . 1 1 18 18 GLU CA C 18 58.488 58.488 59.649 -1.161 25919 2673 1 5 . 1 1 18 18 GLU CB C 18 29.360 29.360 29.188 0.172 25919 2674 1 5 . 1 1 18 18 GLU H H 18 7.423 7.423 8.232 -0.809 25919 2675 1 5 . 1 1 19 19 ASP N N 19 121.273 121.273 120.081 1.192 25919 2676 1 5 . 1 1 19 19 ASP HA H 19 4.384 4.384 4.384 -0.000 25919 2677 1 5 . 1 1 19 19 ASP C C 19 177.016 177.016 179.137 -2.121 25919 2678 1 5 . 1 1 19 19 ASP CA C 19 56.900 56.900 57.548 -0.648 25919 2679 1 5 . 1 1 19 19 ASP CB C 19 41.884 41.884 40.535 1.349 25919 2680 1 5 . 1 1 19 19 ASP H H 19 7.955 7.955 8.400 -0.445 25919 2681 1 5 . 1 1 20 20 VAL N N 20 119.523 119.523 120.221 -0.698 25919 2682 1 5 . 1 1 20 20 VAL HA H 20 3.232 3.232 3.421 -0.189 25919 2683 1 5 . 1 1 20 20 VAL C C 20 173.876 173.876 178.154 -4.278 25919 2684 1 5 . 1 1 20 20 VAL CA C 20 66.128 66.128 66.609 -0.481 25919 2685 1 5 . 1 1 20 20 VAL CB C 20 31.099 31.099 31.599 -0.500 25919 2686 1 5 . 1 1 20 20 VAL H H 20 7.818 7.818 7.948 -0.130 25919 2687 1 5 . 1 1 21 21 ARG N N 21 120.310 120.310 119.143 1.167 25919 2688 1 5 . 1 1 21 21 ARG HA H 21 3.803 3.803 3.940 -0.137 25919 2689 1 5 . 1 1 21 21 ARG CA C 21 59.934 59.934 59.896 0.038 25919 2690 1 5 . 1 1 21 21 ARG CB C 21 30.076 30.076 30.316 -0.240 25919 2691 1 5 . 1 1 21 21 ARG H H 21 8.037 8.037 7.715 0.322 25919 2692 1 5 . 1 1 22 22 LEU N N 22 118.660 118.660 118.772 -0.112 25919 2693 1 5 . 1 1 22 22 LEU HA H 22 4.094 4.094 4.129 -0.035 25919 2694 1 5 . 1 1 22 22 LEU C C 22 177.626 177.626 178.714 -1.088 25919 2695 1 5 . 1 1 22 22 LEU CA C 22 57.738 57.738 58.250 -0.512 25919 2696 1 5 . 1 1 22 22 LEU CB C 22 42.222 42.222 41.395 0.827 25919 2697 1 5 . 1 1 22 22 LEU H H 22 8.050 8.050 8.446 -0.396 25919 2698 1 5 . 1 1 23 23 ILE N N 23 122.825 122.825 120.536 2.289 25919 2699 1 5 . 1 1 23 23 ILE HA H 23 4.122 4.122 3.773 0.349 25919 2700 1 5 . 1 1 23 23 ILE C C 23 176.226 176.226 177.510 -1.284 25919 2701 1 5 . 1 1 23 23 ILE CA C 23 61.243 61.243 64.442 -3.199 25919 2702 1 5 . 1 1 23 23 ILE CB C 23 38.268 38.268 37.828 0.440 25919 2703 1 5 . 1 1 23 23 ILE H H 23 8.390 8.390 8.426 -0.036 25919 2704 1 5 . 1 1 24 24 ARG N N 24 122.365 122.365 120.735 1.630 25919 2705 1 5 . 1 1 24 24 ARG HA H 24 4.017 4.017 4.033 -0.016 25919 2706 1 5 . 1 1 24 24 ARG CA C 24 57.684 57.684 58.557 -0.874 25919 2707 1 5 . 1 1 24 24 ARG CB C 24 28.817 28.817 29.619 -0.802 25919 2708 1 5 . 1 1 24 24 ARG H H 24 8.540 8.540 7.724 0.816 25919 2709 1 5 . 1 1 25 25 GLU N N 25 118.383 118.383 118.651 -0.268 25919 2710 1 5 . 1 1 25 25 GLU HA H 25 4.044 4.044 4.112 -0.068 25919 2711 1 5 . 1 1 25 25 GLU CA C 25 58.680 58.680 58.719 -0.039 25919 2712 1 5 . 1 1 25 25 GLU CB C 25 29.850 29.850 29.580 0.270 25919 2713 1 5 . 1 1 25 25 GLU H H 25 7.287 7.287 8.206 -0.919 25919 2714 1 5 . 1 1 26 26 GLN N N 26 117.165 117.165 117.672 -0.507 25919 2715 1 5 . 1 1 26 26 GLN HA H 26 3.948 3.948 4.116 -0.168 25919 2716 1 5 . 1 1 26 26 GLN C C 26 176.221 176.221 176.836 -0.615 25919 2717 1 5 . 1 1 26 26 GLN CA C 26 57.638 57.638 57.443 0.195 25919 2718 1 5 . 1 1 26 26 GLN CB C 26 30.320 30.320 29.473 0.847 25919 2719 1 5 . 1 1 26 26 GLN H H 26 7.423 7.423 7.938 -0.515 25919 2720 1 5 . 1 1 27 27 HIS N N 27 117.140 117.140 118.322 -1.182 25919 2721 1 5 . 1 1 27 27 HIS HA H 27 4.866 4.866 5.032 -0.166 25919 2722 1 5 . 1 1 27 27 HIS CA C 27 53.305 53.305 52.367 0.938 25919 2723 1 5 . 1 1 27 27 HIS CB C 27 30.917 30.917 29.494 1.423 25919 2724 1 5 . 1 1 27 27 HIS H H 27 8.254 8.254 8.034 0.220 25919 2725 1 5 . 1 1 28 28 PRO HA H 28 4.609 4.609 4.505 0.104 25919 2726 1 5 . 1 1 28 28 PRO CA C 28 64.881 64.881 64.647 0.234 25919 2727 1 5 . 1 1 28 28 PRO CB C 28 32.554 32.554 32.128 0.426 25919 2728 1 5 . 1 1 29 29 THR N N 29 107.339 107.339 104.825 2.514 25919 2729 1 5 . 1 1 29 29 THR HA H 29 4.644 4.644 4.294 0.350 25919 2730 1 5 . 1 1 29 29 THR C C 29 172.933 172.933 174.199 -1.266 25919 2731 1 5 . 1 1 29 29 THR CA C 29 60.600 60.600 62.072 -1.472 25919 2732 1 5 . 1 1 29 29 THR CB C 29 68.520 68.520 69.123 -0.603 25919 2733 1 5 . 1 1 29 29 THR H H 29 7.764 7.764 8.157 -0.393 25919 2734 1 5 . 1 1 30 30 LYS N N 30 118.273 118.273 122.110 -3.837 25919 2735 1 5 . 1 1 30 30 LYS HA H 30 4.926 4.926 4.863 0.063 25919 2736 1 5 . 1 1 30 30 LYS C C 30 175.010 175.010 175.395 -0.385 25919 2737 1 5 . 1 1 30 30 LYS CA C 30 53.740 53.740 55.358 -1.617 25919 2738 1 5 . 1 1 30 30 LYS CB C 30 36.445 36.445 34.052 2.393 25919 2739 1 5 . 1 1 30 30 LYS H H 30 7.478 7.478 7.569 -0.091 25919 2740 1 5 . 1 1 31 31 ILE N N 31 123.498 123.498 121.893 1.605 25919 2741 1 5 . 1 1 31 31 ILE HA H 31 4.139 4.139 4.246 -0.107 25919 2742 1 5 . 1 1 31 31 ILE CA C 31 54.669 54.669 56.351 -1.682 25919 2743 1 5 . 1 1 31 31 ILE CB C 31 38.427 38.427 39.635 -1.208 25919 2744 1 5 . 1 1 31 31 ILE H H 31 9.235 9.235 8.688 0.547 25919 2745 1 5 . 1 1 32 32 PRO HA H 32 5.212 5.212 4.340 0.872 25919 2746 1 5 . 1 1 32 32 PRO C C 32 174.832 174.832 175.516 -0.684 25919 2747 1 5 . 1 1 32 32 PRO CA C 32 61.678 61.678 61.788 -0.110 25919 2748 1 5 . 1 1 32 32 PRO CB C 32 30.993 30.993 30.378 0.615 25919 2749 1 5 . 1 1 33 33 VAL N N 33 124.964 124.964 120.596 4.368 25919 2750 1 5 . 1 1 33 33 VAL HA H 33 5.234 5.234 5.150 0.084 25919 2751 1 5 . 1 1 33 33 VAL CA C 33 59.611 59.611 59.271 0.340 25919 2752 1 5 . 1 1 33 33 VAL CB C 33 35.711 35.711 36.051 -0.340 25919 2753 1 5 . 1 1 33 33 VAL H H 33 9.289 9.289 9.044 0.245 25919 2754 1 5 . 1 1 34 34 ILE N N 34 127.908 127.908 123.100 4.808 25919 2755 1 5 . 1 1 34 34 ILE HA H 34 4.742 4.742 4.393 0.349 25919 2756 1 5 . 1 1 34 34 ILE CA C 34 56.330 56.330 60.032 -3.702 25919 2757 1 5 . 1 1 34 34 ILE CB C 34 36.629 36.629 41.625 -4.996 25919 2758 1 5 . 1 1 34 34 ILE H H 34 8.594 8.594 8.883 -0.289 25919 2759 1 5 . 1 1 35 35 ILE N N 35 125.405 125.405 126.790 -1.385 25919 2760 1 5 . 1 1 35 35 ILE HA H 35 4.879 4.879 4.894 -0.015 25919 2761 1 5 . 1 1 35 35 ILE C C 35 176.126 176.126 173.616 2.510 25919 2762 1 5 . 1 1 35 35 ILE CA C 35 60.923 60.923 60.150 0.773 25919 2763 1 5 . 1 1 35 35 ILE CB C 35 38.968 38.968 40.287 -1.319 25919 2764 1 5 . 1 1 35 35 ILE H H 35 8.545 8.545 8.869 -0.324 25919 2765 1 5 . 1 1 36 36 GLU N N 36 124.153 124.153 129.337 -5.184 25919 2766 1 5 . 1 1 36 36 GLU HA H 36 4.789 4.789 4.725 0.064 25919 2767 1 5 . 1 1 36 36 GLU C C 36 173.645 173.645 175.485 -1.840 25919 2768 1 5 . 1 1 36 36 GLU CA C 36 54.282 54.282 54.985 -0.703 25919 2769 1 5 . 1 1 36 36 GLU CB C 36 35.401 35.401 32.517 2.884 25919 2770 1 5 . 1 1 36 36 GLU H H 36 8.363 8.363 8.832 -0.469 25919 2771 1 5 . 1 1 37 37 ARG N N 37 123.957 123.957 129.079 -5.122 25919 2772 1 5 . 1 1 37 37 ARG HA H 37 2.804 2.804 3.913 -1.109 25919 2773 1 5 . 1 1 37 37 ARG C C 37 176.456 176.456 175.993 0.463 25919 2774 1 5 . 1 1 37 37 ARG CA C 37 56.120 56.120 56.283 -0.163 25919 2775 1 5 . 1 1 37 37 ARG CB C 37 31.500 31.500 30.621 0.879 25919 2776 1 5 . 1 1 37 37 ARG H H 37 8.853 8.853 8.957 -0.104 25919 2777 1 5 . 1 1 38 38 TYR N N 38 129.636 129.636 129.371 0.265 25919 2778 1 5 . 1 1 38 38 TYR HA H 38 4.311 4.311 4.271 0.040 25919 2779 1 5 . 1 1 38 38 TYR CA C 38 57.907 57.907 59.054 -1.147 25919 2780 1 5 . 1 1 38 38 TYR CB C 38 39.567 39.567 39.566 0.001 25919 2781 1 5 . 1 1 38 38 TYR H H 38 8.663 8.663 8.653 0.010 25919 2782 1 5 . 1 1 39 39 LYS N N 39 130.772 130.772 127.553 3.219 25919 2783 1 5 . 1 1 39 39 LYS HA H 39 3.848 3.848 3.823 0.025 25919 2784 1 5 . 1 1 39 39 LYS CA C 39 58.986 58.986 58.844 0.141 25919 2785 1 5 . 1 1 39 39 LYS CB C 39 31.777 31.777 32.178 -0.401 25919 2786 1 5 . 1 1 39 39 LYS H H 39 8.389 8.389 8.639 -0.250 25919 2787 1 5 . 1 1 40 40 GLY N N 40 106.013 106.013 103.868 2.145 25919 2788 1 5 . 1 1 40 40 GLY C C 40 173.407 173.407 173.747 -0.340 25919 2789 1 5 . 1 1 40 40 GLY CA C 40 44.796 44.796 44.457 0.339 25919 2790 1 5 . 1 1 40 40 GLY H H 40 5.643 5.643 6.585 -0.942 25919 2791 1 5 . 1 1 41 41 GLU N N 41 123.519 123.519 119.673 3.846 25919 2792 1 5 . 1 1 41 41 GLU HA H 41 4.265 4.265 4.438 -0.173 25919 2793 1 5 . 1 1 41 41 GLU C C 41 176.231 176.231 176.124 0.107 25919 2794 1 5 . 1 1 41 41 GLU CA C 41 56.365 56.365 55.905 0.460 25919 2795 1 5 . 1 1 41 41 GLU CB C 41 31.077 31.077 30.160 0.917 25919 2796 1 5 . 1 1 41 41 GLU H H 41 7.464 7.464 7.432 0.032 25919 2797 1 5 . 1 1 42 42 LYS N N 42 124.405 124.405 122.842 1.563 25919 2798 1 5 . 1 1 42 42 LYS HA H 42 4.669 4.669 4.069 0.600 25919 2799 1 5 . 1 1 42 42 LYS C C 42 177.170 177.170 176.336 0.834 25919 2800 1 5 . 1 1 42 42 LYS CA C 42 55.750 55.750 57.039 -1.289 25919 2801 1 5 . 1 1 42 42 LYS CB C 42 34.929 34.929 30.852 4.077 25919 2802 1 5 . 1 1 42 42 LYS H H 42 8.895 8.895 8.490 0.405 25919 2803 1 5 . 1 1 43 43 GLN N N 43 119.903 119.903 117.639 2.264 25919 2804 1 5 . 1 1 43 43 GLN HA H 43 4.541 4.541 4.120 0.421 25919 2805 1 5 . 1 1 43 43 GLN C C 43 177.260 177.260 176.916 0.344 25919 2806 1 5 . 1 1 43 43 GLN CA C 43 57.566 57.566 56.479 1.087 25919 2807 1 5 . 1 1 43 43 GLN CB C 43 30.620 30.620 29.364 1.256 25919 2808 1 5 . 1 1 43 43 GLN H H 43 8.459 8.459 7.709 0.750 25919 2809 1 5 . 1 1 44 44 LEU N N 44 121.272 121.272 121.731 -0.459 25919 2810 1 5 . 1 1 44 44 LEU HA H 44 4.726 4.726 4.632 0.094 25919 2811 1 5 . 1 1 44 44 LEU CA C 44 53.165 53.165 53.013 0.152 25919 2812 1 5 . 1 1 44 44 LEU CB C 44 43.444 43.444 41.477 1.968 25919 2813 1 5 . 1 1 44 44 LEU H H 44 9.002 9.002 7.863 1.139 25919 2814 1 5 . 1 1 45 45 PRO HA H 45 4.722 4.722 4.524 0.198 25919 2815 1 5 . 1 1 45 45 PRO CA C 45 62.169 62.169 63.271 -1.102 25919 2816 1 5 . 1 1 45 45 PRO CB C 45 32.722 32.722 32.470 0.252 25919 2817 1 5 . 1 1 46 46 VAL N N 46 118.403 118.403 126.003 -7.600 25919 2818 1 5 . 1 1 46 46 VAL HA H 46 4.009 4.009 4.282 -0.273 25919 2819 1 5 . 1 1 46 46 VAL C C 46 173.416 173.416 176.582 -3.166 25919 2820 1 5 . 1 1 46 46 VAL CA C 46 62.413 62.413 62.074 0.339 25919 2821 1 5 . 1 1 46 46 VAL CB C 46 33.087 33.087 32.502 0.585 25919 2822 1 5 . 1 1 46 46 VAL H H 46 8.349 8.349 8.635 -0.286 25919 2823 1 5 . 1 1 47 47 LEU N N 47 128.653 128.653 120.430 8.223 25919 2824 1 5 . 1 1 47 47 LEU HA H 47 4.452 4.452 3.922 0.530 25919 2825 1 5 . 1 1 47 47 LEU CA C 47 54.758 54.758 55.680 -0.922 25919 2826 1 5 . 1 1 47 47 LEU CB C 47 44.076 44.076 41.262 2.814 25919 2827 1 5 . 1 1 47 47 LEU H H 47 8.064 8.064 8.044 0.020 25919 2828 1 5 . 1 1 48 48 ASP N N 48 121.042 121.042 111.183 9.859 25919 2829 1 5 . 1 1 48 48 ASP HA H 48 4.347 4.347 4.337 0.010 25919 2830 1 5 . 1 1 48 48 ASP CA C 48 55.600 55.600 55.649 -0.049 25919 2831 1 5 . 1 1 48 48 ASP CB C 48 40.407 40.407 39.340 1.067 25919 2832 1 5 . 1 1 48 48 ASP H H 48 8.649 8.649 8.755 -0.106 25919 2833 1 5 . 1 1 49 49 LYS N N 49 118.877 118.877 118.788 0.089 25919 2834 1 5 . 1 1 49 49 LYS HA H 49 4.541 4.541 4.141 0.400 25919 2835 1 5 . 1 1 49 49 LYS C C 49 179.744 179.744 176.618 3.126 25919 2836 1 5 . 1 1 49 49 LYS CA C 49 54.099 54.099 56.341 -2.242 25919 2837 1 5 . 1 1 49 49 LYS CB C 49 35.378 35.378 33.042 2.336 25919 2838 1 5 . 1 1 49 49 LYS H H 49 7.287 7.287 7.843 -0.556 25919 2839 1 5 . 1 1 50 50 THR N N 50 114.691 114.691 109.325 5.366 25919 2840 1 5 . 1 1 50 50 THR HA H 50 4.628 4.628 4.576 0.052 25919 2841 1 5 . 1 1 50 50 THR CA C 50 63.920 63.920 62.534 1.386 25919 2842 1 5 . 1 1 50 50 THR CB C 50 71.365 71.365 70.937 0.428 25919 2843 1 5 . 1 1 50 50 THR H H 50 8.064 8.064 8.037 0.027 25919 2844 1 5 . 1 1 51 51 LYS N N 51 120.273 120.273 121.294 -1.021 25919 2845 1 5 . 1 1 51 51 LYS HA H 51 4.570 4.570 4.523 0.047 25919 2846 1 5 . 1 1 51 51 LYS CA C 51 54.997 54.997 55.077 -0.080 25919 2847 1 5 . 1 1 51 51 LYS CB C 51 32.700 32.700 35.619 -2.919 25919 2848 1 5 . 1 1 51 51 LYS H H 51 7.192 7.192 7.363 -0.171 25919 2849 1 5 . 1 1 52 52 PHE N N 52 121.816 121.816 117.443 4.373 25919 2850 1 5 . 1 1 52 52 PHE HA H 52 5.503 5.503 4.714 0.789 25919 2851 1 5 . 1 1 52 52 PHE CA C 52 56.104 56.104 56.745 -0.641 25919 2852 1 5 . 1 1 52 52 PHE CB C 52 43.188 43.188 44.045 -0.857 25919 2853 1 5 . 1 1 52 52 PHE H H 52 9.466 9.466 8.830 0.636 25919 2854 1 5 . 1 1 53 53 LEU N N 53 120.846 120.846 125.087 -4.241 25919 2855 1 5 . 1 1 53 53 LEU HA H 53 5.135 5.135 5.229 -0.094 25919 2856 1 5 . 1 1 53 53 LEU C C 53 175.042 175.042 175.220 -0.178 25919 2857 1 5 . 1 1 53 53 LEU CA C 53 52.916 52.916 53.857 -0.941 25919 2858 1 5 . 1 1 53 53 LEU CB C 53 45.242 45.242 43.991 1.251 25919 2859 1 5 . 1 1 53 53 LEU H H 53 8.608 8.608 8.682 -0.074 25919 2860 1 5 . 1 1 54 54 VAL N N 54 123.773 123.773 128.307 -4.534 25919 2861 1 5 . 1 1 54 54 VAL HA H 54 4.755 4.755 4.530 0.225 25919 2862 1 5 . 1 1 54 54 VAL CA C 54 58.622 58.622 58.829 -0.207 25919 2863 1 5 . 1 1 54 54 VAL CB C 54 35.150 35.150 33.296 1.854 25919 2864 1 5 . 1 1 54 54 VAL H H 54 8.801 8.801 8.834 -0.033 25919 2865 1 5 . 1 1 55 55 PRO HA H 55 4.435 4.435 4.601 -0.166 25919 2866 1 5 . 1 1 55 55 PRO C C 55 176.427 176.427 177.957 -1.530 25919 2867 1 5 . 1 1 55 55 PRO CA C 55 64.298 64.298 62.782 1.516 25919 2868 1 5 . 1 1 55 55 PRO CB C 55 32.822 32.822 32.118 0.704 25919 2869 1 5 . 1 1 56 56 ASP N N 56 121.214 121.214 124.716 -3.502 25919 2870 1 5 . 1 1 56 56 ASP HA H 56 3.880 3.880 4.300 -0.420 25919 2871 1 5 . 1 1 56 56 ASP CA C 56 56.742 56.742 57.124 -0.382 25919 2872 1 5 . 1 1 56 56 ASP CB C 56 40.481 40.481 40.214 0.267 25919 2873 1 5 . 1 1 56 56 ASP H H 56 8.336 8.336 8.932 -0.596 25919 2874 1 5 . 1 1 57 57 HIS N N 57 114.277 114.277 117.353 -3.076 25919 2875 1 5 . 1 1 57 57 HIS HA H 57 4.772 4.772 4.387 0.385 25919 2876 1 5 . 1 1 57 57 HIS C C 57 174.806 174.806 175.931 -1.125 25919 2877 1 5 . 1 1 57 57 HIS CA C 57 55.688 55.688 57.796 -2.108 25919 2878 1 5 . 1 1 57 57 HIS CB C 57 30.450 30.450 29.677 0.773 25919 2879 1 5 . 1 1 57 57 HIS H H 57 7.464 7.464 8.408 -0.944 25919 2880 1 5 . 1 1 58 58 VAL N N 58 123.531 123.531 120.907 2.624 25919 2881 1 5 . 1 1 58 58 VAL HA H 58 3.909 3.909 3.966 -0.057 25919 2882 1 5 . 1 1 58 58 VAL C C 58 177.148 177.148 175.416 1.732 25919 2883 1 5 . 1 1 58 58 VAL CA C 58 62.900 62.900 62.675 0.225 25919 2884 1 5 . 1 1 58 58 VAL CB C 58 32.320 32.320 31.294 1.026 25919 2885 1 5 . 1 1 58 58 VAL H H 58 7.261 7.261 7.826 -0.565 25919 2886 1 5 . 1 1 59 59 ASN N N 59 124.147 124.147 125.969 -1.822 25919 2887 1 5 . 1 1 59 59 ASN HA H 59 5.174 5.174 4.819 0.355 25919 2888 1 5 . 1 1 59 59 ASN C C 59 175.176 175.176 176.677 -1.501 25919 2889 1 5 . 1 1 59 59 ASN CA C 59 51.374 51.374 53.040 -1.666 25919 2890 1 5 . 1 1 59 59 ASN CB C 59 40.038 40.038 39.462 0.576 25919 2891 1 5 . 1 1 59 59 ASN H H 59 8.819 8.819 8.835 -0.016 25919 2892 1 5 . 1 1 60 60 MET N N 60 117.583 117.583 123.012 -5.429 25919 2893 1 5 . 1 1 60 60 MET HA H 60 4.425 4.425 4.173 0.252 25919 2894 1 5 . 1 1 60 60 MET CA C 60 57.271 57.271 58.096 -0.825 25919 2895 1 5 . 1 1 60 60 MET CB C 60 30.063 30.063 32.553 -2.490 25919 2896 1 5 . 1 1 60 60 MET H H 60 8.023 8.023 8.996 -0.973 25919 2897 1 5 . 1 1 61 61 SER N N 61 115.027 115.027 114.643 0.384 25919 2898 1 5 . 1 1 61 61 SER HA H 61 4.138 4.138 4.112 0.026 25919 2899 1 5 . 1 1 61 61 SER C C 61 178.809 178.809 176.644 2.165 25919 2900 1 5 . 1 1 61 61 SER CA C 61 61.553 61.553 61.253 0.300 25919 2901 1 5 . 1 1 61 61 SER CB C 61 62.581 62.581 62.469 0.112 25919 2902 1 5 . 1 1 61 61 SER H H 61 8.350 8.350 8.105 0.245 25919 2903 1 5 . 1 1 62 62 GLU N N 62 123.657 123.657 122.602 1.055 25919 2904 1 5 . 1 1 62 62 GLU HA H 62 3.979 3.979 4.166 -0.187 25919 2905 1 5 . 1 1 62 62 GLU C C 62 176.456 176.456 178.316 -1.860 25919 2906 1 5 . 1 1 62 62 GLU CA C 62 58.726 58.726 58.515 0.211 25919 2907 1 5 . 1 1 62 62 GLU CB C 62 29.700 29.700 29.284 0.416 25919 2908 1 5 . 1 1 62 62 GLU H H 62 7.994 7.994 7.372 0.622 25919 2909 1 5 . 1 1 63 63 LEU N N 63 121.225 121.225 121.729 -0.504 25919 2910 1 5 . 1 1 63 63 LEU HA H 63 3.949 3.949 3.950 -0.001 25919 2911 1 5 . 1 1 63 63 LEU C C 63 178.113 178.113 178.523 -0.410 25919 2912 1 5 . 1 1 63 63 LEU CA C 63 57.860 57.860 58.237 -0.377 25919 2913 1 5 . 1 1 63 63 LEU CB C 63 41.526 41.526 41.826 -0.300 25919 2914 1 5 . 1 1 63 63 LEU H H 63 8.223 8.223 8.286 -0.063 25919 2915 1 5 . 1 1 64 64 ILE N N 64 119.273 119.273 119.221 0.052 25919 2916 1 5 . 1 1 64 64 ILE HA H 64 3.375 3.375 3.587 -0.212 25919 2917 1 5 . 1 1 64 64 ILE CA C 64 66.723 66.723 66.174 0.549 25919 2918 1 5 . 1 1 64 64 ILE CB C 64 38.161 38.161 37.637 0.524 25919 2919 1 5 . 1 1 64 64 ILE H H 64 8.301 8.301 8.477 -0.176 25919 2920 1 5 . 1 1 65 65 LYS N N 65 119.143 119.143 120.315 -1.172 25919 2921 1 5 . 1 1 65 65 LYS HA H 65 3.703 3.703 3.991 -0.288 25919 2922 1 5 . 1 1 65 65 LYS C C 65 173.869 173.869 178.954 -5.085 25919 2923 1 5 . 1 1 65 65 LYS CA C 65 60.451 60.451 59.802 0.649 25919 2924 1 5 . 1 1 65 65 LYS CB C 65 32.300 32.300 32.495 -0.195 25919 2925 1 5 . 1 1 65 65 LYS H H 65 7.300 7.300 7.586 -0.286 25919 2926 1 5 . 1 1 66 66 ILE N N 66 120.527 120.527 120.486 0.041 25919 2927 1 5 . 1 1 66 66 ILE HA H 66 3.541 3.541 3.795 -0.254 25919 2928 1 5 . 1 1 66 66 ILE C C 66 176.459 176.459 177.377 -0.918 25919 2929 1 5 . 1 1 66 66 ILE CA C 66 65.290 65.290 63.307 1.983 25919 2930 1 5 . 1 1 66 66 ILE CB C 66 38.254 38.254 37.418 0.836 25919 2931 1 5 . 1 1 66 66 ILE H H 66 8.048 8.048 8.027 0.021 25919 2932 1 5 . 1 1 67 67 ILE N N 67 121.527 121.527 121.662 -0.135 25919 2933 1 5 . 1 1 67 67 ILE HA H 67 3.336 3.336 3.617 -0.281 25919 2934 1 5 . 1 1 67 67 ILE C C 67 178.102 178.102 177.750 0.352 25919 2935 1 5 . 1 1 67 67 ILE CA C 67 63.952 63.952 64.621 -0.669 25919 2936 1 5 . 1 1 67 67 ILE CB C 67 35.891 35.891 37.163 -1.272 25919 2937 1 5 . 1 1 67 67 ILE H H 67 8.308 8.308 8.286 0.022 25919 2938 1 5 . 1 1 68 68 ARG N N 68 119.384 119.384 119.230 0.154 25919 2939 1 5 . 1 1 68 68 ARG HA H 68 2.970 2.970 3.393 -0.423 25919 2940 1 5 . 1 1 68 68 ARG C C 68 172.723 172.723 178.256 -5.533 25919 2941 1 5 . 1 1 68 68 ARG CA C 68 60.704 60.704 59.413 1.291 25919 2942 1 5 . 1 1 68 68 ARG CB C 68 30.320 30.320 30.046 0.274 25919 2943 1 5 . 1 1 68 68 ARG H H 68 8.336 8.336 8.186 0.150 25919 2944 1 5 . 1 1 69 69 ARG N N 69 117.648 117.648 116.697 0.951 25919 2945 1 5 . 1 1 69 69 ARG HA H 69 4.138 4.138 4.078 0.060 25919 2946 1 5 . 1 1 69 69 ARG C C 69 172.480 172.480 178.270 -5.790 25919 2947 1 5 . 1 1 69 69 ARG CA C 69 58.645 58.645 58.280 0.365 25919 2948 1 5 . 1 1 69 69 ARG CB C 69 29.779 29.779 30.154 -0.375 25919 2949 1 5 . 1 1 69 69 ARG H H 69 7.432 7.432 8.056 -0.624 25919 2950 1 5 . 1 1 70 70 ARG N N 70 124.006 124.006 118.550 5.456 25919 2951 1 5 . 1 1 70 70 ARG HA H 70 4.074 4.074 4.162 -0.088 25919 2952 1 5 . 1 1 70 70 ARG C C 70 178.799 178.799 177.292 1.507 25919 2953 1 5 . 1 1 70 70 ARG CA C 70 58.385 58.385 57.362 1.023 25919 2954 1 5 . 1 1 70 70 ARG CB C 70 30.043 30.043 30.487 -0.444 25919 2955 1 5 . 1 1 70 70 ARG H H 70 8.212 8.212 7.930 0.282 25919 2956 1 5 . 1 1 71 71 LEU N N 71 117.764 117.764 119.691 -1.927 25919 2957 1 5 . 1 1 71 71 LEU HA H 71 4.085 4.085 4.314 -0.229 25919 2958 1 5 . 1 1 71 71 LEU CA C 71 55.063 55.063 54.602 0.461 25919 2959 1 5 . 1 1 71 71 LEU CB C 71 43.100 43.100 42.237 0.863 25919 2960 1 5 . 1 1 71 71 LEU H H 71 7.750 7.750 7.511 0.239 25919 2961 1 5 . 1 1 72 72 GLN N N 72 115.522 115.522 121.809 -6.287 25919 2962 1 5 . 1 1 72 72 GLN HA H 72 3.839 3.839 4.213 -0.374 25919 2963 1 5 . 1 1 72 72 GLN C C 72 175.744 175.744 175.335 0.409 25919 2964 1 5 . 1 1 72 72 GLN CA C 72 56.409 56.409 55.934 0.475 25919 2965 1 5 . 1 1 72 72 GLN CB C 72 25.959 25.959 27.262 -1.303 25919 2966 1 5 . 1 1 72 72 GLN H H 72 7.751 7.751 8.637 -0.886 25919 2967 1 5 . 1 1 73 73 LEU N N 73 115.900 115.900 121.193 -5.293 25919 2968 1 5 . 1 1 73 73 LEU HA H 73 4.254 4.254 4.278 -0.024 25919 2969 1 5 . 1 1 73 73 LEU C C 73 178.568 178.568 176.656 1.912 25919 2970 1 5 . 1 1 73 73 LEU CA C 73 54.468 54.468 55.042 -0.574 25919 2971 1 5 . 1 1 73 73 LEU CB C 73 42.050 42.050 42.539 -0.489 25919 2972 1 5 . 1 1 73 73 LEU H H 73 7.573 7.573 7.490 0.083 25919 2973 1 5 . 1 1 74 74 ASN N N 74 122.154 122.154 118.647 3.507 25919 2974 1 5 . 1 1 74 74 ASN HA H 74 4.684 4.684 4.804 -0.120 25919 2975 1 5 . 1 1 74 74 ASN C C 74 174.122 174.122 175.814 -1.692 25919 2976 1 5 . 1 1 74 74 ASN CA C 74 52.724 52.724 52.289 0.435 25919 2977 1 5 . 1 1 74 74 ASN CB C 74 39.579 39.579 40.511 -0.932 25919 2978 1 5 . 1 1 74 74 ASN H H 74 8.949 8.949 8.063 0.886 25919 2979 1 5 . 1 1 75 75 ALA N N 75 124.274 124.274 123.847 0.427 25919 2980 1 5 . 1 1 75 75 ALA HA H 75 3.972 3.972 4.113 -0.141 25919 2981 1 5 . 1 1 75 75 ALA C C 75 178.113 178.113 178.204 -0.091 25919 2982 1 5 . 1 1 75 75 ALA CA C 75 54.900 54.900 54.677 0.223 25919 2983 1 5 . 1 1 75 75 ALA CB C 75 18.708 18.708 18.845 -0.137 25919 2984 1 5 . 1 1 75 75 ALA H H 75 8.690 8.690 8.566 0.124 25919 2985 1 5 . 1 1 76 76 ASN N N 76 112.911 112.911 114.515 -1.604 25919 2986 1 5 . 1 1 76 76 ASN HA H 76 4.589 4.589 4.646 -0.057 25919 2987 1 5 . 1 1 76 76 ASN C C 76 175.515 175.515 175.415 0.100 25919 2988 1 5 . 1 1 76 76 ASN CA C 76 53.276 53.276 54.187 -0.911 25919 2989 1 5 . 1 1 76 76 ASN CB C 76 38.343 38.343 38.687 -0.344 25919 2990 1 5 . 1 1 76 76 ASN H H 76 8.340 8.340 8.094 0.246 25919 2991 1 5 . 1 1 77 77 GLN N N 77 121.144 121.144 119.481 1.663 25919 2992 1 5 . 1 1 77 77 GLN HA H 77 4.287 4.287 4.465 -0.178 25919 2993 1 5 . 1 1 77 77 GLN C C 77 175.053 175.053 175.288 -0.235 25919 2994 1 5 . 1 1 77 77 GLN CA C 77 55.856 55.856 54.652 1.204 25919 2995 1 5 . 1 1 77 77 GLN CB C 77 30.320 30.320 28.861 1.459 25919 2996 1 5 . 1 1 77 77 GLN H H 77 7.546 7.546 7.666 -0.120 25919 2997 1 5 . 1 1 78 78 ALA N N 78 131.146 131.146 127.999 3.147 25919 2998 1 5 . 1 1 78 78 ALA HA H 78 4.179 4.179 4.435 -0.256 25919 2999 1 5 . 1 1 78 78 ALA C C 78 176.453 176.453 176.152 0.301 25919 3000 1 5 . 1 1 78 78 ALA CA C 78 52.852 52.852 52.171 0.681 25919 3001 1 5 . 1 1 78 78 ALA CB C 78 20.074 20.074 19.882 0.192 25919 3002 1 5 . 1 1 78 78 ALA H H 78 8.730 8.730 8.561 0.169 25919 3003 1 5 . 1 1 79 79 PHE N N 79 119.860 119.860 123.355 -3.495 25919 3004 1 5 . 1 1 79 79 PHE HA H 79 4.453 4.453 5.288 -0.835 25919 3005 1 5 . 1 1 79 79 PHE C C 79 171.834 171.834 173.200 -1.366 25919 3006 1 5 . 1 1 79 79 PHE CA C 79 59.115 59.115 57.433 1.682 25919 3007 1 5 . 1 1 79 79 PHE CB C 79 42.246 42.246 42.627 -0.381 25919 3008 1 5 . 1 1 79 79 PHE H H 79 7.601 7.601 8.169 -0.568 25919 3009 1 5 . 1 1 80 80 PHE N N 80 126.800 126.800 124.649 2.151 25919 3010 1 5 . 1 1 80 80 PHE HA H 80 4.396 4.396 4.365 0.031 25919 3011 1 5 . 1 1 80 80 PHE C C 80 173.169 173.169 173.108 0.061 25919 3012 1 5 . 1 1 80 80 PHE CA C 80 56.859 56.859 56.535 0.324 25919 3013 1 5 . 1 1 80 80 PHE CB C 80 41.946 41.946 43.568 -1.622 25919 3014 1 5 . 1 1 80 80 PHE H H 80 8.504 8.504 8.861 -0.357 25919 3015 1 5 . 1 1 81 81 LEU N N 81 122.590 122.590 125.061 -2.471 25919 3016 1 5 . 1 1 81 81 LEU HA H 81 4.902 4.902 4.777 0.125 25919 3017 1 5 . 1 1 81 81 LEU CA C 81 53.108 53.108 54.052 -0.944 25919 3018 1 5 . 1 1 81 81 LEU CB C 81 45.781 45.781 43.476 2.305 25919 3019 1 5 . 1 1 81 81 LEU H H 81 8.159 8.159 8.372 -0.213 25919 3020 1 5 . 1 1 82 82 LEU N N 82 126.414 126.414 127.362 -0.948 25919 3021 1 5 . 1 1 82 82 LEU HA H 82 4.807 4.807 5.035 -0.228 25919 3022 1 5 . 1 1 82 82 LEU C C 82 174.204 174.204 175.866 -1.662 25919 3023 1 5 . 1 1 82 82 LEU CA C 82 54.200 54.200 53.514 0.686 25919 3024 1 5 . 1 1 82 82 LEU CB C 82 43.650 43.650 43.837 -0.187 25919 3025 1 5 . 1 1 82 82 LEU H H 82 9.347 9.347 9.365 -0.018 25919 3026 1 5 . 1 1 83 83 VAL N N 83 123.910 123.910 123.624 0.286 25919 3027 1 5 . 1 1 83 83 VAL HA H 83 4.466 4.466 4.510 -0.044 25919 3028 1 5 . 1 1 83 83 VAL C C 83 175.891 175.891 176.496 -0.605 25919 3029 1 5 . 1 1 83 83 VAL CA C 83 61.339 61.339 62.168 -0.829 25919 3030 1 5 . 1 1 83 83 VAL CB C 83 34.013 34.013 32.704 1.309 25919 3031 1 5 . 1 1 83 83 VAL H H 83 8.676 8.676 8.972 -0.296 25919 3032 1 5 . 1 1 84 84 ASN N N 84 127.149 127.149 127.627 -0.478 25919 3033 1 5 . 1 1 84 84 ASN HA H 84 4.384 4.384 4.438 -0.054 25919 3034 1 5 . 1 1 84 84 ASN CA C 84 54.494 54.494 54.477 0.017 25919 3035 1 5 . 1 1 84 84 ASN CB C 84 37.933 37.933 36.525 1.408 25919 3036 1 5 . 1 1 84 84 ASN H H 84 9.630 9.630 9.429 0.201 25919 3037 1 5 . 1 1 85 85 GLY N N 85 101.905 101.905 102.461 -0.556 25919 3038 1 5 . 1 1 85 85 GLY C C 85 175.112 175.112 173.255 1.857 25919 3039 1 5 . 1 1 85 85 GLY CA C 85 45.624 45.624 45.814 -0.190 25919 3040 1 5 . 1 1 85 85 GLY H H 85 8.670 8.670 8.770 -0.100 25919 3041 1 5 . 1 1 86 86 HIS N N 86 117.905 117.905 117.000 0.905 25919 3042 1 5 . 1 1 86 86 HIS HA H 86 5.039 5.039 4.914 0.125 25919 3043 1 5 . 1 1 86 86 HIS CA C 86 53.890 53.890 53.521 0.369 25919 3044 1 5 . 1 1 86 86 HIS CB C 86 30.888 30.888 32.852 -1.964 25919 3045 1 5 . 1 1 86 86 HIS H H 86 7.927 7.927 7.746 0.181 25919 3046 1 5 . 1 1 87 87 SER N N 87 118.646 118.646 117.752 0.894 25919 3047 1 5 . 1 1 87 87 SER HA H 87 4.397 4.397 4.368 0.029 25919 3048 1 5 . 1 1 87 87 SER C C 87 175.275 175.275 174.651 0.624 25919 3049 1 5 . 1 1 87 87 SER CA C 87 58.414 58.414 59.306 -0.892 25919 3050 1 5 . 1 1 87 87 SER CB C 87 63.772 63.772 63.453 0.319 25919 3051 1 5 . 1 1 87 87 SER H H 87 8.927 8.927 8.869 0.058 25919 3052 1 5 . 1 1 88 88 MET N N 88 126.013 126.013 126.835 -0.822 25919 3053 1 5 . 1 1 88 88 MET HA H 88 4.851 4.851 4.811 0.040 25919 3054 1 5 . 1 1 88 88 MET C C 88 178.796 178.796 177.127 1.669 25919 3055 1 5 . 1 1 88 88 MET CA C 88 54.727 54.727 54.059 0.667 25919 3056 1 5 . 1 1 88 88 MET CB C 88 33.309 33.309 32.403 0.906 25919 3057 1 5 . 1 1 88 88 MET H H 88 9.088 9.088 8.934 0.154 25919 3058 1 5 . 1 1 89 89 VAL N N 89 121.153 121.153 123.026 -1.873 25919 3059 1 5 . 1 1 89 89 VAL HA H 89 4.057 4.057 3.632 0.425 25919 3060 1 5 . 1 1 89 89 VAL C C 89 176.695 176.695 176.329 0.366 25919 3061 1 5 . 1 1 89 89 VAL CA C 89 63.592 63.592 65.886 -2.294 25919 3062 1 5 . 1 1 89 89 VAL CB C 89 32.422 32.422 31.991 0.431 25919 3063 1 5 . 1 1 89 89 VAL H H 89 8.144 8.144 7.572 0.572 25919 3064 1 5 . 1 1 90 90 SER N N 90 116.778 116.778 112.020 4.758 25919 3065 1 5 . 1 1 90 90 SER HA H 90 4.561 4.561 4.505 0.056 25919 3066 1 5 . 1 1 90 90 SER C C 90 173.898 173.898 174.211 -0.313 25919 3067 1 5 . 1 1 90 90 SER CA C 90 57.895 57.895 58.037 -0.142 25919 3068 1 5 . 1 1 90 90 SER CB C 90 63.133 63.133 63.512 -0.379 25919 3069 1 5 . 1 1 90 90 SER H H 90 8.322 8.322 8.012 0.310 25919 3070 1 5 . 1 1 91 91 VAL N N 91 120.735 120.735 123.204 -2.469 25919 3071 1 5 . 1 1 91 91 VAL HA H 91 4.286 4.286 4.120 0.166 25919 3072 1 5 . 1 1 91 91 VAL CA C 91 62.846 62.846 62.065 0.781 25919 3073 1 5 . 1 1 91 91 VAL CB C 91 32.069 32.069 32.962 -0.893 25919 3074 1 5 . 1 1 91 91 VAL H H 91 8.036 8.036 7.486 0.550 25919 3075 1 5 . 1 1 92 92 SER N N 92 118.146 118.146 122.393 -4.247 25919 3076 1 5 . 1 1 92 92 SER HA H 92 4.549 4.549 4.550 -0.001 25919 3077 1 5 . 1 1 92 92 SER CA C 92 57.813 57.813 58.123 -0.310 25919 3078 1 5 . 1 1 92 92 SER CB C 92 63.488 63.488 63.506 -0.018 25919 3079 1 5 . 1 1 92 92 SER H H 92 8.470 8.470 8.469 0.001 25919 3080 1 5 . 1 1 93 93 THR N N 93 119.747 119.747 119.286 0.461 25919 3081 1 5 . 1 1 93 93 THR HA H 93 4.467 4.467 4.384 0.083 25919 3082 1 5 . 1 1 93 93 THR CA C 93 61.005 61.005 61.991 -0.986 25919 3083 1 5 . 1 1 93 93 THR CB C 93 70.592 70.592 69.746 0.846 25919 3084 1 5 . 1 1 93 93 THR H H 93 7.382 7.382 7.723 -0.341 25919 3085 1 5 . 1 1 94 94 PRO HA H 94 4.424 4.424 4.440 -0.016 25919 3086 1 5 . 1 1 94 94 PRO CA C 94 63.060 63.060 63.396 -0.336 25919 3087 1 5 . 1 1 94 94 PRO CB C 94 32.798 32.798 32.159 0.639 25919 3088 1 5 . 1 1 95 95 ILE N N 95 124.894 124.894 123.957 0.937 25919 3089 1 5 . 1 1 95 95 ILE HA H 95 3.984 3.984 3.877 0.107 25919 3090 1 5 . 1 1 95 95 ILE CA C 95 63.963 63.963 62.331 1.632 25919 3091 1 5 . 1 1 95 95 ILE CB C 95 38.200 38.200 38.202 -0.001 25919 3092 1 5 . 1 1 95 95 ILE H H 95 9.358 9.358 8.681 0.677 25919 3093 1 5 . 1 1 96 96 SER N N 96 117.523 117.523 115.779 1.744 25919 3094 1 5 . 1 1 96 96 SER HA H 96 4.004 4.004 4.179 -0.175 25919 3095 1 5 . 1 1 96 96 SER CA C 96 61.700 61.700 61.827 -0.127 25919 3096 1 5 . 1 1 96 96 SER CB C 96 61.400 61.400 62.695 -1.295 25919 3097 1 5 . 1 1 96 96 SER H H 96 8.202 8.202 8.391 -0.189 25919 3098 1 5 . 1 1 97 97 GLU N N 97 123.657 123.657 122.254 1.403 25919 3099 1 5 . 1 1 97 97 GLU HA H 97 4.282 4.282 4.173 0.109 25919 3100 1 5 . 1 1 97 97 GLU CA C 97 58.700 58.700 58.850 -0.150 25919 3101 1 5 . 1 1 97 97 GLU CB C 97 29.800 29.800 29.323 0.477 25919 3102 1 5 . 1 1 97 97 GLU H H 97 7.301 7.301 7.687 -0.386 25919 3103 1 5 . 1 1 98 98 VAL N N 98 121.907 121.907 120.224 1.683 25919 3104 1 5 . 1 1 98 98 VAL HA H 98 3.797 3.797 3.688 0.109 25919 3105 1 5 . 1 1 98 98 VAL CA C 98 65.949 65.949 66.732 -0.783 25919 3106 1 5 . 1 1 98 98 VAL CB C 98 32.186 32.186 31.255 0.931 25919 3107 1 5 . 1 1 98 98 VAL H H 98 7.410 7.410 7.681 -0.271 25919 3108 1 5 . 1 1 99 99 TYR N N 99 119.526 119.526 121.476 -1.950 25919 3109 1 5 . 1 1 99 99 TYR HA H 99 4.016 4.016 3.959 0.057 25919 3110 1 5 . 1 1 99 99 TYR C C 99 175.741 175.741 177.332 -1.591 25919 3111 1 5 . 1 1 99 99 TYR CA C 99 62.229 62.229 61.886 0.343 25919 3112 1 5 . 1 1 99 99 TYR CB C 99 38.967 38.967 38.379 0.588 25919 3113 1 5 . 1 1 99 99 TYR H H 99 9.071 9.071 8.547 0.524 25919 3114 1 5 . 1 1 100 100 GLU N N 100 114.405 114.405 117.799 -3.394 25919 3115 1 5 . 1 1 100 100 GLU HA H 100 3.850 3.850 3.640 0.210 25919 3116 1 5 . 1 1 100 100 GLU C C 100 178.094 178.094 178.019 0.075 25919 3117 1 5 . 1 1 100 100 GLU CA C 100 58.920 58.920 58.334 0.586 25919 3118 1 5 . 1 1 100 100 GLU CB C 100 29.481 29.481 29.139 0.342 25919 3119 1 5 . 1 1 100 100 GLU H H 100 7.342 7.342 8.191 -0.849 25919 3120 1 5 . 1 1 101 101 SER N N 101 109.656 109.656 112.571 -2.915 25919 3121 1 5 . 1 1 101 101 SER HA H 101 4.529 4.529 4.413 0.116 25919 3122 1 5 . 1 1 101 101 SER C C 101 176.681 176.681 175.749 0.932 25919 3123 1 5 . 1 1 101 101 SER CA C 101 60.313 60.313 59.488 0.825 25919 3124 1 5 . 1 1 101 101 SER CB C 101 64.703 64.703 63.645 1.058 25919 3125 1 5 . 1 1 101 101 SER H H 101 7.410 7.410 7.692 -0.282 25919 3126 1 5 . 1 1 102 102 GLU N N 102 117.283 117.283 118.519 -1.236 25919 3127 1 5 . 1 1 102 102 GLU HA H 102 4.721 4.721 4.659 0.062 25919 3128 1 5 . 1 1 102 102 GLU CA C 102 55.592 55.592 55.690 -0.098 25919 3129 1 5 . 1 1 102 102 GLU CB C 102 30.564 30.564 30.884 -0.320 25919 3130 1 5 . 1 1 102 102 GLU H H 102 8.500 8.500 8.325 0.175 25919 3131 1 5 . 1 1 103 103 LYS N N 103 118.772 118.772 120.267 -1.495 25919 3132 1 5 . 1 1 103 103 LYS HA H 103 4.179 4.179 4.455 -0.276 25919 3133 1 5 . 1 1 103 103 LYS C C 103 175.032 175.032 176.400 -1.368 25919 3134 1 5 . 1 1 103 103 LYS CA C 103 57.154 57.154 56.688 0.466 25919 3135 1 5 . 1 1 103 103 LYS CB C 103 32.238 32.238 32.818 -0.580 25919 3136 1 5 . 1 1 103 103 LYS H H 103 7.777 7.777 7.429 0.348 25919 3137 1 5 . 1 1 104 104 ASP N N 104 124.024 124.024 124.717 -0.693 25919 3138 1 5 . 1 1 104 104 ASP HA H 104 5.032 5.032 4.836 0.196 25919 3139 1 5 . 1 1 104 104 ASP C C 104 177.548 177.548 177.887 -0.339 25919 3140 1 5 . 1 1 104 104 ASP CA C 104 53.882 53.882 52.294 1.587 25919 3141 1 5 . 1 1 104 104 ASP CB C 104 43.420 43.420 42.998 0.422 25919 3142 1 5 . 1 1 104 104 ASP H H 104 9.030 9.030 8.626 0.404 25919 3143 1 5 . 1 1 105 105 GLU N N 105 125.669 125.669 123.366 2.303 25919 3144 1 5 . 1 1 105 105 GLU HA H 105 4.179 4.179 4.196 -0.017 25919 3145 1 5 . 1 1 105 105 GLU CA C 105 59.526 59.526 59.261 0.265 25919 3146 1 5 . 1 1 105 105 GLU CB C 105 30.036 30.036 29.402 0.634 25919 3147 1 5 . 1 1 105 105 GLU H H 105 8.894 8.894 8.901 -0.007 25919 3148 1 5 . 1 1 106 106 ASP N N 106 119.257 119.257 117.244 2.013 25919 3149 1 5 . 1 1 106 106 ASP HA H 106 4.180 4.180 4.686 -0.506 25919 3150 1 5 . 1 1 106 106 ASP C C 106 176.018 176.018 176.470 -0.452 25919 3151 1 5 . 1 1 106 106 ASP CA C 106 54.750 54.750 54.391 0.359 25919 3152 1 5 . 1 1 106 106 ASP CB C 106 40.250 40.250 40.939 -0.689 25919 3153 1 5 . 1 1 106 106 ASP H H 106 9.838 9.838 8.329 1.509 25919 3154 1 5 . 1 1 107 107 GLY N N 107 106.307 106.307 108.113 -1.806 25919 3155 1 5 . 1 1 107 107 GLY CA C 107 45.125 45.125 44.618 0.507 25919 3156 1 5 . 1 1 107 107 GLY H H 107 7.945 7.945 7.755 0.190 25919 3157 1 5 . 1 1 108 108 PHE N N 108 124.389 124.389 115.419 8.970 25919 3158 1 5 . 1 1 108 108 PHE HA H 108 4.670 4.670 4.249 0.421 25919 3159 1 5 . 1 1 108 108 PHE C C 108 179.501 179.501 175.361 4.140 25919 3160 1 5 . 1 1 108 108 PHE CA C 108 60.288 60.288 58.791 1.497 25919 3161 1 5 . 1 1 108 108 PHE CB C 108 40.506 40.506 38.857 1.649 25919 3162 1 5 . 1 1 108 108 PHE H H 108 9.739 9.739 8.496 1.243 25919 3163 1 5 . 1 1 109 109 LEU N N 109 120.814 120.814 122.511 -1.697 25919 3164 1 5 . 1 1 109 109 LEU HA H 109 5.038 5.038 4.807 0.231 25919 3165 1 5 . 1 1 109 109 LEU CA C 109 53.479 53.479 54.198 -0.719 25919 3166 1 5 . 1 1 109 109 LEU CB C 109 45.197 45.197 42.699 2.498 25919 3167 1 5 . 1 1 109 109 LEU H H 109 7.968 7.968 8.484 -0.516 25919 3168 1 5 . 1 1 110 110 TYR N N 110 127.403 127.403 126.908 0.495 25919 3169 1 5 . 1 1 110 110 TYR HA H 110 4.907 4.907 4.496 0.411 25919 3170 1 5 . 1 1 110 110 TYR CA C 110 59.259 59.259 59.878 -0.619 25919 3171 1 5 . 1 1 110 110 TYR CB C 110 39.469 39.469 38.630 0.839 25919 3172 1 5 . 1 1 110 110 TYR H H 110 9.349 9.349 8.627 0.722 25919 3173 1 5 . 1 1 111 111 MET N N 111 120.344 120.344 121.877 -1.533 25919 3174 1 5 . 1 1 111 111 MET HA H 111 5.543 5.543 5.547 -0.004 25919 3175 1 5 . 1 1 111 111 MET CA C 111 54.341 54.341 54.535 -0.194 25919 3176 1 5 . 1 1 111 111 MET CB C 111 36.894 36.894 37.045 -0.151 25919 3177 1 5 . 1 1 111 111 MET H H 111 9.575 9.575 8.464 1.111 25919 3178 1 5 . 1 1 112 112 VAL N N 112 121.026 121.026 120.279 0.747 25919 3179 1 5 . 1 1 112 112 VAL HA H 112 5.938 5.938 5.350 0.588 25919 3180 1 5 . 1 1 112 112 VAL C C 112 176.696 176.696 174.616 2.080 25919 3181 1 5 . 1 1 112 112 VAL CA C 112 59.068 59.068 60.410 -1.342 25919 3182 1 5 . 1 1 112 112 VAL CB C 112 36.180 36.180 35.295 0.885 25919 3183 1 5 . 1 1 112 112 VAL H H 112 8.730 8.730 9.071 -0.341 25919 3184 1 5 . 1 1 113 113 TYR N N 113 119.995 119.995 122.512 -2.517 25919 3185 1 5 . 1 1 113 113 TYR HA H 113 6.143 6.143 5.837 0.306 25919 3186 1 5 . 1 1 113 113 TYR C C 113 173.533 173.533 173.124 0.409 25919 3187 1 5 . 1 1 113 113 TYR CA C 113 54.165 54.165 55.253 -1.088 25919 3188 1 5 . 1 1 113 113 TYR CB C 113 43.667 43.667 42.462 1.205 25919 3189 1 5 . 1 1 113 113 TYR H H 113 8.172 8.172 9.239 -1.067 25919 3190 1 5 . 1 1 114 114 ALA N N 114 120.454 120.454 123.288 -2.834 25919 3191 1 5 . 1 1 114 114 ALA HA H 114 4.750 4.750 4.701 0.049 25919 3192 1 5 . 1 1 114 114 ALA C C 114 176.007 176.007 175.679 0.328 25919 3193 1 5 . 1 1 114 114 ALA CA C 114 51.356 51.356 51.567 -0.211 25919 3194 1 5 . 1 1 114 114 ALA CB C 114 24.623 24.623 21.687 2.936 25919 3195 1 5 . 1 1 114 114 ALA H H 114 8.499 8.499 8.802 -0.303 25919 3196 1 5 . 1 1 115 115 SER N N 115 115.279 115.279 114.363 0.916 25919 3197 1 5 . 1 1 115 115 SER HA H 115 4.505 4.505 4.795 -0.290 25919 3198 1 5 . 1 1 115 115 SER C C 115 172.860 172.860 174.640 -1.780 25919 3199 1 5 . 1 1 115 115 SER CA C 115 58.837 58.837 59.766 -0.928 25919 3200 1 5 . 1 1 115 115 SER CB C 115 63.798 63.798 63.734 0.064 25919 3201 1 5 . 1 1 115 115 SER H H 115 9.823 9.823 8.992 0.831 25919 3202 1 5 . 1 1 116 116 GLN N N 116 117.398 117.398 116.573 0.825 25919 3203 1 5 . 1 1 116 116 GLN HA H 116 4.453 4.453 4.536 -0.083 25919 3204 1 5 . 1 1 116 116 GLN C C 116 173.181 173.181 174.679 -1.498 25919 3205 1 5 . 1 1 116 116 GLN CA C 116 54.024 54.024 54.243 -0.219 25919 3206 1 5 . 1 1 116 116 GLN CB C 116 32.179 32.179 30.362 1.817 25919 3207 1 5 . 1 1 116 116 GLN H H 116 7.165 7.165 7.546 -0.381 25919 3208 1 5 . 1 1 117 117 GLU N N 117 118.885 118.885 118.514 0.371 25919 3209 1 5 . 1 1 117 117 GLU HA H 117 3.224 3.224 3.800 -0.576 25919 3210 1 5 . 1 1 117 117 GLU C C 117 175.451 175.451 175.820 -0.369 25919 3211 1 5 . 1 1 117 117 GLU CA C 117 56.917 56.917 57.478 -0.562 25919 3212 1 5 . 1 1 117 117 GLU CB C 117 30.206 30.206 29.269 0.937 25919 3213 1 5 . 1 1 117 117 GLU H H 117 7.873 7.873 8.133 -0.260 25919 3214 1 5 . 1 1 118 118 THR N N 118 110.883 110.883 110.829 0.054 25919 3215 1 5 . 1 1 118 118 THR HA H 118 4.074 4.074 4.047 0.027 25919 3216 1 5 . 1 1 118 118 THR C C 118 173.234 173.234 173.954 -0.720 25919 3217 1 5 . 1 1 118 118 THR CA C 118 60.300 60.300 59.719 0.581 25919 3218 1 5 . 1 1 118 118 THR CB C 118 70.118 70.118 70.530 -0.412 25919 3219 1 5 . 1 1 118 118 THR H H 118 6.988 6.988 7.307 -0.319 25919 3220 1 5 . 1 1 119 119 PHE N N 119 122.773 122.773 118.965 3.808 25919 3221 1 5 . 1 1 119 119 PHE HA H 119 4.397 4.397 4.722 -0.325 25919 3222 1 5 . 1 1 119 119 PHE C C 119 175.045 175.045 175.772 -0.727 25919 3223 1 5 . 1 1 119 119 PHE CA C 119 56.810 56.810 57.127 -0.317 25919 3224 1 5 . 1 1 119 119 PHE CB C 119 39.349 39.349 38.685 0.664 25919 3225 1 5 . 1 1 119 119 PHE H H 119 8.122 8.122 7.439 0.683 25919 3226 1 6 . 1 1 2 2 PRO HA H 2 4.424 4.424 5.096 -0.672 25919 3227 1 6 . 1 1 2 2 PRO C C 2 176.917 176.917 176.445 0.472 25919 3228 1 6 . 1 1 2 2 PRO CA C 2 63.418 63.418 62.883 0.535 25919 3229 1 6 . 1 1 2 2 PRO CB C 2 32.160 32.160 31.891 0.269 25919 3230 1 6 . 1 1 3 3 SER N N 3 116.273 116.273 119.676 -3.403 25919 3231 1 6 . 1 1 3 3 SER HA H 3 4.389 4.389 4.610 -0.221 25919 3232 1 6 . 1 1 3 3 SER C C 3 174.762 174.762 173.712 1.050 25919 3233 1 6 . 1 1 3 3 SER CA C 3 58.472 58.472 56.782 1.690 25919 3234 1 6 . 1 1 3 3 SER CB C 3 63.913 63.913 65.203 -1.290 25919 3235 1 6 . 1 1 3 3 SER H H 3 8.366 8.366 8.104 0.262 25919 3236 1 6 . 1 1 4 4 GLU N N 4 123.959 123.959 120.552 3.407 25919 3237 1 6 . 1 1 4 4 GLU HA H 4 4.289 4.289 4.418 -0.129 25919 3238 1 6 . 1 1 4 4 GLU C C 4 176.545 176.545 176.866 -0.321 25919 3239 1 6 . 1 1 4 4 GLU CA C 4 56.785 56.785 57.996 -1.211 25919 3240 1 6 . 1 1 4 4 GLU CB C 4 30.200 30.200 30.168 0.032 25919 3241 1 6 . 1 1 4 4 GLU H H 4 8.513 8.513 8.543 -0.030 25919 3242 1 6 . 1 1 5 5 LYS N N 5 122.165 122.165 119.082 3.083 25919 3243 1 6 . 1 1 5 5 LYS HA H 5 4.508 4.508 4.485 0.023 25919 3244 1 6 . 1 1 5 5 LYS C C 5 177.178 177.178 176.213 0.965 25919 3245 1 6 . 1 1 5 5 LYS CA C 5 56.000 56.000 55.475 0.525 25919 3246 1 6 . 1 1 5 5 LYS CB C 5 34.758 34.758 33.661 1.097 25919 3247 1 6 . 1 1 5 5 LYS H H 5 8.198 8.198 7.642 0.556 25919 3248 1 6 . 1 1 6 6 THR N N 6 115.586 115.586 111.114 4.472 25919 3249 1 6 . 1 1 6 6 THR HA H 6 4.426 4.426 4.575 -0.149 25919 3250 1 6 . 1 1 6 6 THR C C 6 175.570 175.570 176.850 -1.280 25919 3251 1 6 . 1 1 6 6 THR CA C 6 61.120 61.120 62.239 -1.119 25919 3252 1 6 . 1 1 6 6 THR CB C 6 69.871 69.871 69.975 -0.104 25919 3253 1 6 . 1 1 6 6 THR H H 6 8.423 8.423 7.957 0.466 25919 3254 1 6 . 1 1 7 7 PHE N N 7 126.100 126.100 119.599 6.501 25919 3255 1 6 . 1 1 7 7 PHE HA H 7 3.935 3.935 4.496 -0.561 25919 3256 1 6 . 1 1 7 7 PHE CA C 7 63.687 63.687 59.130 4.557 25919 3257 1 6 . 1 1 7 7 PHE CB C 7 39.656 39.656 38.257 1.399 25919 3258 1 6 . 1 1 7 7 PHE H H 7 10.276 10.276 9.755 0.521 25919 3259 1 6 . 1 1 8 8 LYS N N 8 115.026 115.026 122.313 -7.287 25919 3260 1 6 . 1 1 8 8 LYS HA H 8 3.800 3.800 3.935 -0.135 25919 3261 1 6 . 1 1 8 8 LYS CA C 8 59.944 59.944 57.137 2.807 25919 3262 1 6 . 1 1 8 8 LYS CB C 8 33.852 33.852 31.465 2.387 25919 3263 1 6 . 1 1 8 8 LYS H H 8 8.707 8.707 7.175 1.532 25919 3264 1 6 . 1 1 9 9 GLN N N 9 113.774 113.774 117.129 -3.355 25919 3265 1 6 . 1 1 9 9 GLN HA H 9 4.178 4.178 4.067 0.111 25919 3266 1 6 . 1 1 9 9 GLN C C 9 173.193 173.193 177.319 -4.126 25919 3267 1 6 . 1 1 9 9 GLN CA C 9 56.741 56.741 57.973 -1.232 25919 3268 1 6 . 1 1 9 9 GLN CB C 9 30.065 30.065 29.199 0.866 25919 3269 1 6 . 1 1 9 9 GLN H H 9 7.343 7.343 7.655 -0.312 25919 3270 1 6 . 1 1 10 10 ARG N N 10 119.156 119.156 117.048 2.108 25919 3271 1 6 . 1 1 10 10 ARG HA H 10 4.248 4.248 4.408 -0.160 25919 3272 1 6 . 1 1 10 10 ARG CA C 10 57.555 57.555 56.426 1.129 25919 3273 1 6 . 1 1 10 10 ARG CB C 10 31.771 31.771 32.641 -0.870 25919 3274 1 6 . 1 1 10 10 ARG H H 10 7.912 7.912 7.907 0.005 25919 3275 1 6 . 1 1 11 11 ARG N N 11 120.777 120.777 119.515 1.262 25919 3276 1 6 . 1 1 11 11 ARG HA H 11 4.685 4.685 4.740 -0.055 25919 3277 1 6 . 1 1 11 11 ARG CA C 11 53.161 53.161 54.524 -1.363 25919 3278 1 6 . 1 1 11 11 ARG CB C 11 32.773 32.773 31.646 1.127 25919 3279 1 6 . 1 1 11 11 ARG H H 11 7.341 7.341 8.084 -0.743 25919 3280 1 6 . 1 1 12 12 THR N N 12 116.696 116.696 110.889 5.807 25919 3281 1 6 . 1 1 12 12 THR HA H 12 4.358 4.358 4.722 -0.364 25919 3282 1 6 . 1 1 12 12 THR C C 12 175.056 175.056 175.769 -0.713 25919 3283 1 6 . 1 1 12 12 THR CA C 12 61.795 61.795 59.625 2.170 25919 3284 1 6 . 1 1 12 12 THR CB C 12 71.050 71.050 71.883 -0.833 25919 3285 1 6 . 1 1 12 12 THR H H 12 8.855 8.855 7.940 0.915 25919 3286 1 6 . 1 1 13 13 PHE N N 13 123.894 123.894 122.648 1.246 25919 3287 1 6 . 1 1 13 13 PHE HA H 13 4.043 4.043 4.633 -0.590 25919 3288 1 6 . 1 1 13 13 PHE C C 13 176.234 176.234 176.909 -0.675 25919 3289 1 6 . 1 1 13 13 PHE CA C 13 62.947 62.947 61.735 1.212 25919 3290 1 6 . 1 1 13 13 PHE CB C 13 39.571 39.571 39.629 -0.058 25919 3291 1 6 . 1 1 13 13 PHE H H 13 9.221 9.221 8.914 0.307 25919 3292 1 6 . 1 1 14 14 GLU N N 14 116.516 116.516 117.415 -0.899 25919 3293 1 6 . 1 1 14 14 GLU HA H 14 3.812 3.812 3.679 0.133 25919 3294 1 6 . 1 1 14 14 GLU CA C 14 60.699 60.699 59.487 1.212 25919 3295 1 6 . 1 1 14 14 GLU CB C 14 28.943 28.943 29.297 -0.354 25919 3296 1 6 . 1 1 14 14 GLU H H 14 9.002 9.002 8.673 0.329 25919 3297 1 6 . 1 1 15 15 GLN N N 15 119.291 119.291 117.619 1.672 25919 3298 1 6 . 1 1 15 15 GLN HA H 15 4.024 4.024 4.114 -0.090 25919 3299 1 6 . 1 1 15 15 GLN C C 15 175.263 175.263 178.523 -3.260 25919 3300 1 6 . 1 1 15 15 GLN CA C 15 58.800 58.800 58.191 0.609 25919 3301 1 6 . 1 1 15 15 GLN CB C 15 29.300 29.300 28.254 1.046 25919 3302 1 6 . 1 1 15 15 GLN H H 15 7.706 7.706 7.647 0.059 25919 3303 1 6 . 1 1 16 16 ARG N N 16 122.883 122.883 120.888 1.995 25919 3304 1 6 . 1 1 16 16 ARG HA H 16 4.235 4.235 4.151 0.084 25919 3305 1 6 . 1 1 16 16 ARG CA C 16 61.660 61.660 59.728 1.932 25919 3306 1 6 . 1 1 16 16 ARG CB C 16 30.877 30.877 30.218 0.659 25919 3307 1 6 . 1 1 16 16 ARG H H 16 8.567 8.567 8.392 0.175 25919 3308 1 6 . 1 1 17 17 VAL N N 17 118.523 118.523 120.635 -2.112 25919 3309 1 6 . 1 1 17 17 VAL HA H 17 3.865 3.865 3.779 0.086 25919 3310 1 6 . 1 1 17 17 VAL C C 17 174.213 174.213 178.337 -4.124 25919 3311 1 6 . 1 1 17 17 VAL CA C 17 65.550 65.550 66.459 -0.909 25919 3312 1 6 . 1 1 17 17 VAL CB C 17 32.171 32.171 31.490 0.681 25919 3313 1 6 . 1 1 17 17 VAL H H 17 8.430 8.430 8.314 0.116 25919 3314 1 6 . 1 1 18 18 GLU N N 18 120.170 120.170 119.499 0.671 25919 3315 1 6 . 1 1 18 18 GLU HA H 18 4.212 4.212 3.951 0.261 25919 3316 1 6 . 1 1 18 18 GLU C C 18 175.758 175.758 179.060 -3.302 25919 3317 1 6 . 1 1 18 18 GLU CA C 18 58.488 58.488 59.438 -0.950 25919 3318 1 6 . 1 1 18 18 GLU CB C 18 29.360 29.360 28.874 0.486 25919 3319 1 6 . 1 1 18 18 GLU H H 18 7.423 7.423 8.238 -0.815 25919 3320 1 6 . 1 1 19 19 ASP N N 19 121.273 121.273 121.236 0.037 25919 3321 1 6 . 1 1 19 19 ASP HA H 19 4.384 4.384 4.357 0.027 25919 3322 1 6 . 1 1 19 19 ASP C C 19 177.016 177.016 178.840 -1.824 25919 3323 1 6 . 1 1 19 19 ASP CA C 19 56.900 56.900 57.488 -0.588 25919 3324 1 6 . 1 1 19 19 ASP CB C 19 41.884 41.884 40.490 1.394 25919 3325 1 6 . 1 1 19 19 ASP H H 19 7.955 7.955 8.247 -0.292 25919 3326 1 6 . 1 1 20 20 VAL N N 20 119.523 119.523 119.969 -0.446 25919 3327 1 6 . 1 1 20 20 VAL HA H 20 3.232 3.232 3.300 -0.068 25919 3328 1 6 . 1 1 20 20 VAL C C 20 173.876 173.876 177.757 -3.881 25919 3329 1 6 . 1 1 20 20 VAL CA C 20 66.128 66.128 67.021 -0.893 25919 3330 1 6 . 1 1 20 20 VAL CB C 20 31.099 31.099 31.524 -0.425 25919 3331 1 6 . 1 1 20 20 VAL H H 20 7.818 7.818 8.228 -0.410 25919 3332 1 6 . 1 1 21 21 ARG N N 21 120.310 120.310 119.882 0.428 25919 3333 1 6 . 1 1 21 21 ARG HA H 21 3.803 3.803 3.860 -0.057 25919 3334 1 6 . 1 1 21 21 ARG CA C 21 59.934 59.934 59.809 0.125 25919 3335 1 6 . 1 1 21 21 ARG CB C 21 30.076 30.076 30.280 -0.204 25919 3336 1 6 . 1 1 21 21 ARG H H 21 8.037 8.037 8.049 -0.012 25919 3337 1 6 . 1 1 22 22 LEU N N 22 118.660 118.660 120.053 -1.393 25919 3338 1 6 . 1 1 22 22 LEU HA H 22 4.094 4.094 3.933 0.161 25919 3339 1 6 . 1 1 22 22 LEU C C 22 177.626 177.626 179.145 -1.519 25919 3340 1 6 . 1 1 22 22 LEU CA C 22 57.738 57.738 58.114 -0.376 25919 3341 1 6 . 1 1 22 22 LEU CB C 22 42.222 42.222 41.937 0.285 25919 3342 1 6 . 1 1 22 22 LEU H H 22 8.050 8.050 8.227 -0.177 25919 3343 1 6 . 1 1 23 23 ILE N N 23 122.825 122.825 119.312 3.513 25919 3344 1 6 . 1 1 23 23 ILE HA H 23 4.122 4.122 3.674 0.448 25919 3345 1 6 . 1 1 23 23 ILE C C 23 176.226 176.226 178.078 -1.852 25919 3346 1 6 . 1 1 23 23 ILE CA C 23 61.243 61.243 64.526 -3.284 25919 3347 1 6 . 1 1 23 23 ILE CB C 23 38.268 38.268 37.376 0.892 25919 3348 1 6 . 1 1 23 23 ILE H H 23 8.390 8.390 8.647 -0.257 25919 3349 1 6 . 1 1 24 24 ARG N N 24 122.365 122.365 119.141 3.224 25919 3350 1 6 . 1 1 24 24 ARG HA H 24 4.017 4.017 4.071 -0.054 25919 3351 1 6 . 1 1 24 24 ARG CA C 24 57.684 57.684 57.910 -0.226 25919 3352 1 6 . 1 1 24 24 ARG CB C 24 28.817 28.817 29.483 -0.666 25919 3353 1 6 . 1 1 24 24 ARG H H 24 8.540 8.540 8.206 0.334 25919 3354 1 6 . 1 1 25 25 GLU N N 25 118.383 118.383 118.521 -0.138 25919 3355 1 6 . 1 1 25 25 GLU HA H 25 4.044 4.044 4.112 -0.068 25919 3356 1 6 . 1 1 25 25 GLU CA C 25 58.680 58.680 58.417 0.263 25919 3357 1 6 . 1 1 25 25 GLU CB C 25 29.850 29.850 29.572 0.278 25919 3358 1 6 . 1 1 25 25 GLU H H 25 7.287 7.287 7.734 -0.447 25919 3359 1 6 . 1 1 26 26 GLN N N 26 117.165 117.165 116.360 0.805 25919 3360 1 6 . 1 1 26 26 GLN HA H 26 3.948 3.948 4.068 -0.120 25919 3361 1 6 . 1 1 26 26 GLN C C 26 176.221 176.221 176.898 -0.677 25919 3362 1 6 . 1 1 26 26 GLN CA C 26 57.638 57.638 57.247 0.391 25919 3363 1 6 . 1 1 26 26 GLN CB C 26 30.320 30.320 29.468 0.852 25919 3364 1 6 . 1 1 26 26 GLN H H 26 7.423 7.423 8.151 -0.728 25919 3365 1 6 . 1 1 27 27 HIS N N 27 117.140 117.140 117.772 -0.632 25919 3366 1 6 . 1 1 27 27 HIS HA H 27 4.866 4.866 5.073 -0.207 25919 3367 1 6 . 1 1 27 27 HIS CA C 27 53.305 53.305 52.591 0.714 25919 3368 1 6 . 1 1 27 27 HIS CB C 27 30.917 30.917 30.739 0.178 25919 3369 1 6 . 1 1 27 27 HIS H H 27 8.254 8.254 8.054 0.200 25919 3370 1 6 . 1 1 28 28 PRO HA H 28 4.609 4.609 4.522 0.087 25919 3371 1 6 . 1 1 28 28 PRO CA C 28 64.881 64.881 64.784 0.097 25919 3372 1 6 . 1 1 28 28 PRO CB C 28 32.554 32.554 32.026 0.528 25919 3373 1 6 . 1 1 29 29 THR N N 29 107.339 107.339 109.817 -2.478 25919 3374 1 6 . 1 1 29 29 THR HA H 29 4.644 4.644 4.337 0.307 25919 3375 1 6 . 1 1 29 29 THR C C 29 172.933 172.933 174.265 -1.332 25919 3376 1 6 . 1 1 29 29 THR CA C 29 60.600 60.600 62.834 -2.234 25919 3377 1 6 . 1 1 29 29 THR CB C 29 68.520 68.520 68.627 -0.107 25919 3378 1 6 . 1 1 29 29 THR H H 29 7.764 7.764 8.420 -0.656 25919 3379 1 6 . 1 1 30 30 LYS N N 30 118.273 118.273 120.674 -2.401 25919 3380 1 6 . 1 1 30 30 LYS HA H 30 4.926 4.926 5.140 -0.214 25919 3381 1 6 . 1 1 30 30 LYS C C 30 175.010 175.010 174.580 0.430 25919 3382 1 6 . 1 1 30 30 LYS CA C 30 53.740 53.740 54.790 -1.050 25919 3383 1 6 . 1 1 30 30 LYS CB C 30 36.445 36.445 36.053 0.392 25919 3384 1 6 . 1 1 30 30 LYS H H 30 7.478 7.478 7.819 -0.341 25919 3385 1 6 . 1 1 31 31 ILE N N 31 123.498 123.498 121.241 2.257 25919 3386 1 6 . 1 1 31 31 ILE HA H 31 4.139 4.139 4.287 -0.148 25919 3387 1 6 . 1 1 31 31 ILE CA C 31 54.669 54.669 56.172 -1.503 25919 3388 1 6 . 1 1 31 31 ILE CB C 31 38.427 38.427 39.859 -1.432 25919 3389 1 6 . 1 1 31 31 ILE H H 31 9.235 9.235 8.681 0.554 25919 3390 1 6 . 1 1 32 32 PRO HA H 32 5.212 5.212 4.443 0.769 25919 3391 1 6 . 1 1 32 32 PRO C C 32 174.832 174.832 175.258 -0.426 25919 3392 1 6 . 1 1 32 32 PRO CA C 32 61.678 61.678 62.134 -0.456 25919 3393 1 6 . 1 1 32 32 PRO CB C 32 30.993 30.993 30.944 0.049 25919 3394 1 6 . 1 1 33 33 VAL N N 33 124.964 124.964 124.109 0.855 25919 3395 1 6 . 1 1 33 33 VAL HA H 33 5.234 5.234 5.026 0.208 25919 3396 1 6 . 1 1 33 33 VAL CA C 33 59.611 59.611 60.510 -0.898 25919 3397 1 6 . 1 1 33 33 VAL CB C 33 35.711 35.711 35.934 -0.223 25919 3398 1 6 . 1 1 33 33 VAL H H 33 9.289 9.289 8.914 0.375 25919 3399 1 6 . 1 1 34 34 ILE N N 34 127.908 127.908 124.543 3.365 25919 3400 1 6 . 1 1 34 34 ILE HA H 34 4.742 4.742 4.414 0.328 25919 3401 1 6 . 1 1 34 34 ILE CA C 34 56.330 56.330 59.532 -3.201 25919 3402 1 6 . 1 1 34 34 ILE CB C 34 36.629 36.629 41.992 -5.364 25919 3403 1 6 . 1 1 34 34 ILE H H 34 8.594 8.594 8.737 -0.143 25919 3404 1 6 . 1 1 35 35 ILE N N 35 125.405 125.405 126.709 -1.304 25919 3405 1 6 . 1 1 35 35 ILE HA H 35 4.879 4.879 5.300 -0.421 25919 3406 1 6 . 1 1 35 35 ILE C C 35 176.126 176.126 174.289 1.837 25919 3407 1 6 . 1 1 35 35 ILE CA C 35 60.923 60.923 59.398 1.525 25919 3408 1 6 . 1 1 35 35 ILE CB C 35 38.968 38.968 40.821 -1.853 25919 3409 1 6 . 1 1 35 35 ILE H H 35 8.545 8.545 8.372 0.173 25919 3410 1 6 . 1 1 36 36 GLU N N 36 124.153 124.153 127.658 -3.505 25919 3411 1 6 . 1 1 36 36 GLU HA H 36 4.789 4.789 4.946 -0.157 25919 3412 1 6 . 1 1 36 36 GLU C C 36 173.645 173.645 175.500 -1.855 25919 3413 1 6 . 1 1 36 36 GLU CA C 36 54.282 54.282 54.289 -0.007 25919 3414 1 6 . 1 1 36 36 GLU CB C 36 35.401 35.401 34.637 0.764 25919 3415 1 6 . 1 1 36 36 GLU H H 36 8.363 8.363 8.840 -0.477 25919 3416 1 6 . 1 1 37 37 ARG N N 37 123.957 123.957 126.340 -2.383 25919 3417 1 6 . 1 1 37 37 ARG HA H 37 2.804 2.804 4.506 -1.702 25919 3418 1 6 . 1 1 37 37 ARG C C 37 176.456 176.456 176.402 0.054 25919 3419 1 6 . 1 1 37 37 ARG CA C 37 56.120 56.120 56.233 -0.113 25919 3420 1 6 . 1 1 37 37 ARG CB C 37 31.500 31.500 30.600 0.900 25919 3421 1 6 . 1 1 37 37 ARG H H 37 8.853 8.853 8.828 0.025 25919 3422 1 6 . 1 1 38 38 TYR N N 38 129.636 129.636 127.340 2.296 25919 3423 1 6 . 1 1 38 38 TYR HA H 38 4.311 4.311 4.355 -0.044 25919 3424 1 6 . 1 1 38 38 TYR CA C 38 57.907 57.907 59.546 -1.639 25919 3425 1 6 . 1 1 38 38 TYR CB C 38 39.567 39.567 39.615 -0.048 25919 3426 1 6 . 1 1 38 38 TYR H H 38 8.663 8.663 8.628 0.035 25919 3427 1 6 . 1 1 39 39 LYS N N 39 130.772 130.772 128.003 2.769 25919 3428 1 6 . 1 1 39 39 LYS HA H 39 3.848 3.848 3.865 -0.017 25919 3429 1 6 . 1 1 39 39 LYS CA C 39 58.986 58.986 58.254 0.732 25919 3430 1 6 . 1 1 39 39 LYS CB C 39 31.777 31.777 31.837 -0.060 25919 3431 1 6 . 1 1 39 39 LYS H H 39 8.389 8.389 8.294 0.095 25919 3432 1 6 . 1 1 40 40 GLY N N 40 106.013 106.013 104.793 1.220 25919 3433 1 6 . 1 1 40 40 GLY C C 40 173.407 173.407 174.229 -0.822 25919 3434 1 6 . 1 1 40 40 GLY CA C 40 44.796 44.796 44.909 -0.113 25919 3435 1 6 . 1 1 40 40 GLY H H 40 5.643 5.643 6.644 -1.001 25919 3436 1 6 . 1 1 41 41 GLU N N 41 123.519 123.519 118.803 4.716 25919 3437 1 6 . 1 1 41 41 GLU HA H 41 4.265 4.265 4.497 -0.232 25919 3438 1 6 . 1 1 41 41 GLU C C 41 176.231 176.231 174.905 1.326 25919 3439 1 6 . 1 1 41 41 GLU CA C 41 56.365 56.365 56.443 -0.078 25919 3440 1 6 . 1 1 41 41 GLU CB C 41 31.077 31.077 32.005 -0.928 25919 3441 1 6 . 1 1 41 41 GLU H H 41 7.464 7.464 7.376 0.088 25919 3442 1 6 . 1 1 42 42 LYS N N 42 124.405 124.405 127.096 -2.691 25919 3443 1 6 . 1 1 42 42 LYS HA H 42 4.669 4.669 4.460 0.209 25919 3444 1 6 . 1 1 42 42 LYS C C 42 177.170 177.170 176.303 0.867 25919 3445 1 6 . 1 1 42 42 LYS CA C 42 55.750 55.750 55.570 0.180 25919 3446 1 6 . 1 1 42 42 LYS CB C 42 34.929 34.929 30.843 4.086 25919 3447 1 6 . 1 1 42 42 LYS H H 42 8.895 8.895 8.672 0.223 25919 3448 1 6 . 1 1 43 43 GLN N N 43 119.903 119.903 119.572 0.331 25919 3449 1 6 . 1 1 43 43 GLN HA H 43 4.541 4.541 4.127 0.414 25919 3450 1 6 . 1 1 43 43 GLN C C 43 177.260 177.260 176.022 1.238 25919 3451 1 6 . 1 1 43 43 GLN CA C 43 57.566 57.566 58.046 -0.480 25919 3452 1 6 . 1 1 43 43 GLN CB C 43 30.620 30.620 29.186 1.434 25919 3453 1 6 . 1 1 43 43 GLN H H 43 8.459 8.459 7.759 0.700 25919 3454 1 6 . 1 1 44 44 LEU N N 44 121.272 121.272 120.557 0.715 25919 3455 1 6 . 1 1 44 44 LEU HA H 44 4.726 4.726 4.748 -0.022 25919 3456 1 6 . 1 1 44 44 LEU CA C 44 53.165 53.165 51.934 1.231 25919 3457 1 6 . 1 1 44 44 LEU CB C 44 43.444 43.444 41.728 1.716 25919 3458 1 6 . 1 1 44 44 LEU H H 44 9.002 9.002 8.095 0.907 25919 3459 1 6 . 1 1 45 45 PRO HA H 45 4.722 4.722 4.587 0.135 25919 3460 1 6 . 1 1 45 45 PRO CA C 45 62.169 62.169 62.254 -0.085 25919 3461 1 6 . 1 1 45 45 PRO CB C 45 32.722 32.722 32.494 0.228 25919 3462 1 6 . 1 1 46 46 VAL N N 46 118.403 118.403 124.250 -5.847 25919 3463 1 6 . 1 1 46 46 VAL HA H 46 4.009 4.009 4.459 -0.450 25919 3464 1 6 . 1 1 46 46 VAL C C 46 173.416 173.416 177.013 -3.597 25919 3465 1 6 . 1 1 46 46 VAL CA C 46 62.413 62.413 62.288 0.125 25919 3466 1 6 . 1 1 46 46 VAL CB C 46 33.087 33.087 31.383 1.704 25919 3467 1 6 . 1 1 46 46 VAL H H 46 8.349 8.349 8.536 -0.187 25919 3468 1 6 . 1 1 47 47 LEU N N 47 128.653 128.653 129.008 -0.355 25919 3469 1 6 . 1 1 47 47 LEU HA H 47 4.452 4.452 4.200 0.252 25919 3470 1 6 . 1 1 47 47 LEU CA C 47 54.758 54.758 57.075 -2.317 25919 3471 1 6 . 1 1 47 47 LEU CB C 47 44.076 44.076 42.167 1.909 25919 3472 1 6 . 1 1 47 47 LEU H H 47 8.064 8.064 8.929 -0.865 25919 3473 1 6 . 1 1 48 48 ASP N N 48 121.042 121.042 114.807 6.235 25919 3474 1 6 . 1 1 48 48 ASP HA H 48 4.347 4.347 4.629 -0.282 25919 3475 1 6 . 1 1 48 48 ASP CA C 48 55.600 55.600 54.131 1.469 25919 3476 1 6 . 1 1 48 48 ASP CB C 48 40.407 40.407 42.075 -1.668 25919 3477 1 6 . 1 1 48 48 ASP H H 48 8.649 8.649 8.362 0.287 25919 3478 1 6 . 1 1 49 49 LYS N N 49 118.877 118.877 120.257 -1.380 25919 3479 1 6 . 1 1 49 49 LYS HA H 49 4.541 4.541 4.349 0.192 25919 3480 1 6 . 1 1 49 49 LYS C C 49 179.744 179.744 176.432 3.312 25919 3481 1 6 . 1 1 49 49 LYS CA C 49 54.099 54.099 57.740 -3.641 25919 3482 1 6 . 1 1 49 49 LYS CB C 49 35.378 35.378 33.001 2.377 25919 3483 1 6 . 1 1 49 49 LYS H H 49 7.287 7.287 8.072 -0.785 25919 3484 1 6 . 1 1 50 50 THR N N 50 114.691 114.691 112.185 2.506 25919 3485 1 6 . 1 1 50 50 THR HA H 50 4.628 4.628 4.649 -0.021 25919 3486 1 6 . 1 1 50 50 THR CA C 50 63.920 63.920 62.534 1.386 25919 3487 1 6 . 1 1 50 50 THR CB C 50 71.365 71.365 71.112 0.253 25919 3488 1 6 . 1 1 50 50 THR H H 50 8.064 8.064 8.520 -0.456 25919 3489 1 6 . 1 1 51 51 LYS N N 51 120.273 120.273 120.875 -0.602 25919 3490 1 6 . 1 1 51 51 LYS HA H 51 4.570 4.570 4.944 -0.374 25919 3491 1 6 . 1 1 51 51 LYS CA C 51 54.997 54.997 55.311 -0.314 25919 3492 1 6 . 1 1 51 51 LYS CB C 51 32.700 32.700 36.724 -4.024 25919 3493 1 6 . 1 1 51 51 LYS H H 51 7.192 7.192 7.604 -0.412 25919 3494 1 6 . 1 1 52 52 PHE N N 52 121.816 121.816 117.705 4.111 25919 3495 1 6 . 1 1 52 52 PHE HA H 52 5.503 5.503 4.843 0.660 25919 3496 1 6 . 1 1 52 52 PHE CA C 52 56.104 56.104 56.984 -0.880 25919 3497 1 6 . 1 1 52 52 PHE CB C 52 43.188 43.188 41.014 2.174 25919 3498 1 6 . 1 1 52 52 PHE H H 52 9.466 9.466 8.989 0.477 25919 3499 1 6 . 1 1 53 53 LEU N N 53 120.846 120.846 124.985 -4.139 25919 3500 1 6 . 1 1 53 53 LEU HA H 53 5.135 5.135 4.866 0.269 25919 3501 1 6 . 1 1 53 53 LEU C C 53 175.042 175.042 176.891 -1.849 25919 3502 1 6 . 1 1 53 53 LEU CA C 53 52.916 52.916 53.980 -1.064 25919 3503 1 6 . 1 1 53 53 LEU CB C 53 45.242 45.242 41.959 3.283 25919 3504 1 6 . 1 1 53 53 LEU H H 53 8.608 8.608 8.656 -0.048 25919 3505 1 6 . 1 1 54 54 VAL N N 54 123.773 123.773 126.506 -2.733 25919 3506 1 6 . 1 1 54 54 VAL HA H 54 4.755 4.755 4.442 0.313 25919 3507 1 6 . 1 1 54 54 VAL CA C 54 58.622 58.622 59.340 -0.718 25919 3508 1 6 . 1 1 54 54 VAL CB C 54 35.150 35.150 32.403 2.747 25919 3509 1 6 . 1 1 54 54 VAL H H 54 8.801 8.801 8.746 0.055 25919 3510 1 6 . 1 1 55 55 PRO HA H 55 4.435 4.435 4.588 -0.153 25919 3511 1 6 . 1 1 55 55 PRO C C 55 176.427 176.427 177.950 -1.523 25919 3512 1 6 . 1 1 55 55 PRO CA C 55 64.298 64.298 62.914 1.384 25919 3513 1 6 . 1 1 55 55 PRO CB C 55 32.822 32.822 32.100 0.722 25919 3514 1 6 . 1 1 56 56 ASP N N 56 121.214 121.214 124.711 -3.497 25919 3515 1 6 . 1 1 56 56 ASP HA H 56 3.880 3.880 4.282 -0.402 25919 3516 1 6 . 1 1 56 56 ASP CA C 56 56.742 56.742 57.313 -0.571 25919 3517 1 6 . 1 1 56 56 ASP CB C 56 40.481 40.481 40.232 0.249 25919 3518 1 6 . 1 1 56 56 ASP H H 56 8.336 8.336 8.930 -0.594 25919 3519 1 6 . 1 1 57 57 HIS N N 57 114.277 114.277 117.344 -3.067 25919 3520 1 6 . 1 1 57 57 HIS HA H 57 4.772 4.772 4.426 0.346 25919 3521 1 6 . 1 1 57 57 HIS C C 57 174.806 174.806 175.997 -1.191 25919 3522 1 6 . 1 1 57 57 HIS CA C 57 55.688 55.688 57.802 -2.114 25919 3523 1 6 . 1 1 57 57 HIS CB C 57 30.450 30.450 29.629 0.821 25919 3524 1 6 . 1 1 57 57 HIS H H 57 7.464 7.464 8.389 -0.925 25919 3525 1 6 . 1 1 58 58 VAL N N 58 123.531 123.531 121.127 2.404 25919 3526 1 6 . 1 1 58 58 VAL HA H 58 3.909 3.909 3.924 -0.015 25919 3527 1 6 . 1 1 58 58 VAL C C 58 177.148 177.148 174.950 2.198 25919 3528 1 6 . 1 1 58 58 VAL CA C 58 62.900 62.900 62.950 -0.050 25919 3529 1 6 . 1 1 58 58 VAL CB C 58 32.320 32.320 32.014 0.305 25919 3530 1 6 . 1 1 58 58 VAL H H 58 7.261 7.261 7.794 -0.533 25919 3531 1 6 . 1 1 59 59 ASN N N 59 124.147 124.147 124.541 -0.394 25919 3532 1 6 . 1 1 59 59 ASN HA H 59 5.174 5.174 5.121 0.053 25919 3533 1 6 . 1 1 59 59 ASN C C 59 175.176 175.176 175.963 -0.787 25919 3534 1 6 . 1 1 59 59 ASN CA C 59 51.374 51.374 51.882 -0.508 25919 3535 1 6 . 1 1 59 59 ASN CB C 59 40.038 40.038 40.014 0.023 25919 3536 1 6 . 1 1 59 59 ASN H H 59 8.819 8.819 8.293 0.526 25919 3537 1 6 . 1 1 60 60 MET N N 60 117.583 117.583 120.324 -2.741 25919 3538 1 6 . 1 1 60 60 MET HA H 60 4.425 4.425 4.203 0.222 25919 3539 1 6 . 1 1 60 60 MET CA C 60 57.271 57.271 58.093 -0.822 25919 3540 1 6 . 1 1 60 60 MET CB C 60 30.063 30.063 32.553 -2.490 25919 3541 1 6 . 1 1 60 60 MET H H 60 8.023 8.023 8.778 -0.755 25919 3542 1 6 . 1 1 61 61 SER N N 61 115.027 115.027 115.511 -0.484 25919 3543 1 6 . 1 1 61 61 SER HA H 61 4.138 4.138 4.096 0.042 25919 3544 1 6 . 1 1 61 61 SER C C 61 178.809 178.809 176.597 2.212 25919 3545 1 6 . 1 1 61 61 SER CA C 61 61.553 61.553 61.465 0.088 25919 3546 1 6 . 1 1 61 61 SER CB C 61 62.581 62.581 62.864 -0.283 25919 3547 1 6 . 1 1 61 61 SER H H 61 8.350 8.350 8.025 0.325 25919 3548 1 6 . 1 1 62 62 GLU N N 62 123.657 123.657 122.471 1.186 25919 3549 1 6 . 1 1 62 62 GLU HA H 62 3.979 3.979 4.058 -0.079 25919 3550 1 6 . 1 1 62 62 GLU C C 62 176.456 176.456 178.475 -2.019 25919 3551 1 6 . 1 1 62 62 GLU CA C 62 58.726 58.726 58.962 -0.236 25919 3552 1 6 . 1 1 62 62 GLU CB C 62 29.700 29.700 29.390 0.310 25919 3553 1 6 . 1 1 62 62 GLU H H 62 7.994 7.994 8.524 -0.530 25919 3554 1 6 . 1 1 63 63 LEU N N 63 121.225 121.225 121.201 0.024 25919 3555 1 6 . 1 1 63 63 LEU HA H 63 3.949 3.949 3.962 -0.013 25919 3556 1 6 . 1 1 63 63 LEU C C 63 178.113 178.113 178.635 -0.522 25919 3557 1 6 . 1 1 63 63 LEU CA C 63 57.860 57.860 58.083 -0.223 25919 3558 1 6 . 1 1 63 63 LEU CB C 63 41.526 41.526 41.769 -0.243 25919 3559 1 6 . 1 1 63 63 LEU H H 63 8.223 8.223 8.210 0.013 25919 3560 1 6 . 1 1 64 64 ILE N N 64 119.273 119.273 119.633 -0.360 25919 3561 1 6 . 1 1 64 64 ILE HA H 64 3.375 3.375 3.671 -0.296 25919 3562 1 6 . 1 1 64 64 ILE CA C 64 66.723 66.723 66.186 0.537 25919 3563 1 6 . 1 1 64 64 ILE CB C 64 38.161 38.161 37.860 0.301 25919 3564 1 6 . 1 1 64 64 ILE H H 64 8.301 8.301 8.370 -0.069 25919 3565 1 6 . 1 1 65 65 LYS N N 65 119.143 119.143 120.313 -1.170 25919 3566 1 6 . 1 1 65 65 LYS HA H 65 3.703 3.703 3.926 -0.223 25919 3567 1 6 . 1 1 65 65 LYS C C 65 173.869 173.869 179.016 -5.147 25919 3568 1 6 . 1 1 65 65 LYS CA C 65 60.451 60.451 59.754 0.697 25919 3569 1 6 . 1 1 65 65 LYS CB C 65 32.300 32.300 32.440 -0.140 25919 3570 1 6 . 1 1 65 65 LYS H H 65 7.300 7.300 7.793 -0.493 25919 3571 1 6 . 1 1 66 66 ILE N N 66 120.527 120.527 121.163 -0.636 25919 3572 1 6 . 1 1 66 66 ILE HA H 66 3.541 3.541 3.717 -0.176 25919 3573 1 6 . 1 1 66 66 ILE C C 66 176.459 176.459 177.519 -1.060 25919 3574 1 6 . 1 1 66 66 ILE CA C 66 65.290 65.290 64.111 1.179 25919 3575 1 6 . 1 1 66 66 ILE CB C 66 38.254 38.254 37.614 0.640 25919 3576 1 6 . 1 1 66 66 ILE H H 66 8.048 8.048 7.969 0.079 25919 3577 1 6 . 1 1 67 67 ILE N N 67 121.527 121.527 121.029 0.498 25919 3578 1 6 . 1 1 67 67 ILE HA H 67 3.336 3.336 3.546 -0.210 25919 3579 1 6 . 1 1 67 67 ILE C C 67 178.102 178.102 178.005 0.097 25919 3580 1 6 . 1 1 67 67 ILE CA C 67 63.952 63.952 64.129 -0.178 25919 3581 1 6 . 1 1 67 67 ILE CB C 67 35.891 35.891 36.284 -0.393 25919 3582 1 6 . 1 1 67 67 ILE H H 67 8.308 8.308 7.864 0.444 25919 3583 1 6 . 1 1 68 68 ARG N N 68 119.384 119.384 119.534 -0.150 25919 3584 1 6 . 1 1 68 68 ARG HA H 68 2.970 2.970 3.121 -0.151 25919 3585 1 6 . 1 1 68 68 ARG C C 68 172.723 172.723 178.136 -5.413 25919 3586 1 6 . 1 1 68 68 ARG CA C 68 60.704 60.704 58.850 1.854 25919 3587 1 6 . 1 1 68 68 ARG CB C 68 30.320 30.320 29.514 0.806 25919 3588 1 6 . 1 1 68 68 ARG H H 68 8.336 8.336 8.096 0.240 25919 3589 1 6 . 1 1 69 69 ARG N N 69 117.648 117.648 117.880 -0.232 25919 3590 1 6 . 1 1 69 69 ARG HA H 69 4.138 4.138 3.989 0.149 25919 3591 1 6 . 1 1 69 69 ARG C C 69 172.480 172.480 178.652 -6.172 25919 3592 1 6 . 1 1 69 69 ARG CA C 69 58.645 58.645 58.438 0.207 25919 3593 1 6 . 1 1 69 69 ARG CB C 69 29.779 29.779 30.024 -0.245 25919 3594 1 6 . 1 1 69 69 ARG H H 69 7.432 7.432 7.437 -0.005 25919 3595 1 6 . 1 1 70 70 ARG N N 70 124.006 124.006 117.650 6.356 25919 3596 1 6 . 1 1 70 70 ARG HA H 70 4.074 4.074 4.079 -0.005 25919 3597 1 6 . 1 1 70 70 ARG C C 70 178.799 178.799 177.535 1.264 25919 3598 1 6 . 1 1 70 70 ARG CA C 70 58.385 58.385 57.044 1.341 25919 3599 1 6 . 1 1 70 70 ARG CB C 70 30.043 30.043 30.505 -0.462 25919 3600 1 6 . 1 1 70 70 ARG H H 70 8.212 8.212 7.995 0.217 25919 3601 1 6 . 1 1 71 71 LEU N N 71 117.764 117.764 119.566 -1.802 25919 3602 1 6 . 1 1 71 71 LEU HA H 71 4.085 4.085 4.287 -0.202 25919 3603 1 6 . 1 1 71 71 LEU CA C 71 55.063 55.063 54.658 0.405 25919 3604 1 6 . 1 1 71 71 LEU CB C 71 43.100 43.100 42.098 1.002 25919 3605 1 6 . 1 1 71 71 LEU H H 71 7.750 7.750 7.752 -0.002 25919 3606 1 6 . 1 1 72 72 GLN N N 72 115.522 115.522 121.285 -5.763 25919 3607 1 6 . 1 1 72 72 GLN HA H 72 3.839 3.839 4.189 -0.350 25919 3608 1 6 . 1 1 72 72 GLN C C 72 175.744 175.744 175.026 0.718 25919 3609 1 6 . 1 1 72 72 GLN CA C 72 56.409 56.409 55.759 0.650 25919 3610 1 6 . 1 1 72 72 GLN CB C 72 25.959 25.959 26.990 -1.031 25919 3611 1 6 . 1 1 72 72 GLN H H 72 7.751 7.751 8.687 -0.936 25919 3612 1 6 . 1 1 73 73 LEU N N 73 115.900 115.900 121.748 -5.848 25919 3613 1 6 . 1 1 73 73 LEU HA H 73 4.254 4.254 4.366 -0.112 25919 3614 1 6 . 1 1 73 73 LEU C C 73 178.568 178.568 176.633 1.935 25919 3615 1 6 . 1 1 73 73 LEU CA C 73 54.468 54.468 54.265 0.203 25919 3616 1 6 . 1 1 73 73 LEU CB C 73 42.050 42.050 41.577 0.473 25919 3617 1 6 . 1 1 73 73 LEU H H 73 7.573 7.573 7.570 0.003 25919 3618 1 6 . 1 1 74 74 ASN N N 74 122.154 122.154 122.844 -0.690 25919 3619 1 6 . 1 1 74 74 ASN HA H 74 4.684 4.684 4.675 0.009 25919 3620 1 6 . 1 1 74 74 ASN C C 74 174.122 174.122 176.603 -2.481 25919 3621 1 6 . 1 1 74 74 ASN CA C 74 52.724 52.724 53.025 -0.301 25919 3622 1 6 . 1 1 74 74 ASN CB C 74 39.579 39.579 39.628 -0.049 25919 3623 1 6 . 1 1 74 74 ASN H H 74 8.949 8.949 8.448 0.501 25919 3624 1 6 . 1 1 75 75 ALA N N 75 124.274 124.274 123.263 1.011 25919 3625 1 6 . 1 1 75 75 ALA HA H 75 3.972 3.972 4.119 -0.147 25919 3626 1 6 . 1 1 75 75 ALA C C 75 178.113 178.113 178.016 0.097 25919 3627 1 6 . 1 1 75 75 ALA CA C 75 54.900 54.900 54.665 0.235 25919 3628 1 6 . 1 1 75 75 ALA CB C 75 18.708 18.708 18.853 -0.145 25919 3629 1 6 . 1 1 75 75 ALA H H 75 8.690 8.690 8.649 0.041 25919 3630 1 6 . 1 1 76 76 ASN N N 76 112.911 112.911 114.703 -1.792 25919 3631 1 6 . 1 1 76 76 ASN HA H 76 4.589 4.589 4.640 -0.051 25919 3632 1 6 . 1 1 76 76 ASN C C 76 175.515 175.515 175.503 0.012 25919 3633 1 6 . 1 1 76 76 ASN CA C 76 53.276 53.276 54.115 -0.840 25919 3634 1 6 . 1 1 76 76 ASN CB C 76 38.343 38.343 38.290 0.053 25919 3635 1 6 . 1 1 76 76 ASN H H 76 8.340 8.340 8.132 0.208 25919 3636 1 6 . 1 1 77 77 GLN N N 77 121.144 121.144 119.720 1.424 25919 3637 1 6 . 1 1 77 77 GLN HA H 77 4.287 4.287 4.435 -0.148 25919 3638 1 6 . 1 1 77 77 GLN C C 77 175.053 175.053 175.262 -0.209 25919 3639 1 6 . 1 1 77 77 GLN CA C 77 55.856 55.856 55.152 0.704 25919 3640 1 6 . 1 1 77 77 GLN CB C 77 30.320 30.320 28.689 1.631 25919 3641 1 6 . 1 1 77 77 GLN H H 77 7.546 7.546 7.827 -0.281 25919 3642 1 6 . 1 1 78 78 ALA N N 78 131.146 131.146 129.504 1.642 25919 3643 1 6 . 1 1 78 78 ALA HA H 78 4.179 4.179 4.419 -0.240 25919 3644 1 6 . 1 1 78 78 ALA C C 78 176.453 176.453 175.838 0.615 25919 3645 1 6 . 1 1 78 78 ALA CA C 78 52.852 52.852 51.822 1.030 25919 3646 1 6 . 1 1 78 78 ALA CB C 78 20.074 20.074 19.053 1.021 25919 3647 1 6 . 1 1 78 78 ALA H H 78 8.730 8.730 8.817 -0.087 25919 3648 1 6 . 1 1 79 79 PHE N N 79 119.860 119.860 125.961 -6.101 25919 3649 1 6 . 1 1 79 79 PHE HA H 79 4.453 4.453 4.983 -0.530 25919 3650 1 6 . 1 1 79 79 PHE C C 79 171.834 171.834 174.072 -2.238 25919 3651 1 6 . 1 1 79 79 PHE CA C 79 59.115 59.115 57.607 1.508 25919 3652 1 6 . 1 1 79 79 PHE CB C 79 42.246 42.246 41.064 1.182 25919 3653 1 6 . 1 1 79 79 PHE H H 79 7.601 7.601 7.983 -0.382 25919 3654 1 6 . 1 1 80 80 PHE N N 80 126.800 126.800 126.288 0.512 25919 3655 1 6 . 1 1 80 80 PHE HA H 80 4.396 4.396 4.434 -0.038 25919 3656 1 6 . 1 1 80 80 PHE C C 80 173.169 173.169 173.308 -0.139 25919 3657 1 6 . 1 1 80 80 PHE CA C 80 56.859 56.859 56.576 0.283 25919 3658 1 6 . 1 1 80 80 PHE CB C 80 41.946 41.946 43.136 -1.190 25919 3659 1 6 . 1 1 80 80 PHE H H 80 8.504 8.504 8.445 0.059 25919 3660 1 6 . 1 1 81 81 LEU N N 81 122.590 122.590 125.329 -2.739 25919 3661 1 6 . 1 1 81 81 LEU HA H 81 4.902 4.902 4.808 0.094 25919 3662 1 6 . 1 1 81 81 LEU CA C 81 53.108 53.108 54.052 -0.944 25919 3663 1 6 . 1 1 81 81 LEU CB C 81 45.781 45.781 42.947 2.833 25919 3664 1 6 . 1 1 81 81 LEU H H 81 8.159 8.159 8.383 -0.224 25919 3665 1 6 . 1 1 82 82 LEU N N 82 126.414 126.414 126.142 0.272 25919 3666 1 6 . 1 1 82 82 LEU HA H 82 4.807 4.807 4.706 0.101 25919 3667 1 6 . 1 1 82 82 LEU C C 82 174.204 174.204 176.718 -2.514 25919 3668 1 6 . 1 1 82 82 LEU CA C 82 54.200 54.200 53.658 0.541 25919 3669 1 6 . 1 1 82 82 LEU CB C 82 43.650 43.650 43.029 0.621 25919 3670 1 6 . 1 1 82 82 LEU H H 82 9.347 9.347 8.932 0.415 25919 3671 1 6 . 1 1 83 83 VAL N N 83 123.910 123.910 120.870 3.040 25919 3672 1 6 . 1 1 83 83 VAL HA H 83 4.466 4.466 4.493 -0.027 25919 3673 1 6 . 1 1 83 83 VAL C C 83 175.891 175.891 176.633 -0.742 25919 3674 1 6 . 1 1 83 83 VAL CA C 83 61.339 61.339 61.910 -0.571 25919 3675 1 6 . 1 1 83 83 VAL CB C 83 34.013 34.013 31.069 2.944 25919 3676 1 6 . 1 1 83 83 VAL H H 83 8.676 8.676 8.601 0.075 25919 3677 1 6 . 1 1 84 84 ASN N N 84 127.149 127.149 125.932 1.217 25919 3678 1 6 . 1 1 84 84 ASN HA H 84 4.384 4.384 4.336 0.048 25919 3679 1 6 . 1 1 84 84 ASN CA C 84 54.494 54.494 54.050 0.444 25919 3680 1 6 . 1 1 84 84 ASN CB C 84 37.933 37.933 36.336 1.597 25919 3681 1 6 . 1 1 84 84 ASN H H 84 9.630 9.630 9.139 0.491 25919 3682 1 6 . 1 1 85 85 GLY N N 85 101.905 101.905 105.306 -3.401 25919 3683 1 6 . 1 1 85 85 GLY C C 85 175.112 175.112 173.671 1.441 25919 3684 1 6 . 1 1 85 85 GLY CA C 85 45.624 45.624 45.251 0.373 25919 3685 1 6 . 1 1 85 85 GLY H H 85 8.670 8.670 7.961 0.709 25919 3686 1 6 . 1 1 86 86 HIS N N 86 117.905 117.905 122.592 -4.687 25919 3687 1 6 . 1 1 86 86 HIS HA H 86 5.039 5.039 4.687 0.352 25919 3688 1 6 . 1 1 86 86 HIS CA C 86 53.890 53.890 54.861 -0.971 25919 3689 1 6 . 1 1 86 86 HIS CB C 86 30.888 30.888 31.502 -0.613 25919 3690 1 6 . 1 1 86 86 HIS H H 86 7.927 7.927 8.247 -0.320 25919 3691 1 6 . 1 1 87 87 SER N N 87 118.646 118.646 122.128 -3.482 25919 3692 1 6 . 1 1 87 87 SER HA H 87 4.397 4.397 4.465 -0.068 25919 3693 1 6 . 1 1 87 87 SER C C 87 175.275 175.275 174.193 1.082 25919 3694 1 6 . 1 1 87 87 SER CA C 87 58.414 58.414 58.926 -0.512 25919 3695 1 6 . 1 1 87 87 SER CB C 87 63.772 63.772 63.910 -0.138 25919 3696 1 6 . 1 1 87 87 SER H H 87 8.927 8.927 9.210 -0.283 25919 3697 1 6 . 1 1 88 88 MET N N 88 126.013 126.013 122.000 4.013 25919 3698 1 6 . 1 1 88 88 MET HA H 88 4.851 4.851 4.519 0.332 25919 3699 1 6 . 1 1 88 88 MET C C 88 178.796 178.796 176.015 2.781 25919 3700 1 6 . 1 1 88 88 MET CA C 88 54.727 54.727 54.804 -0.077 25919 3701 1 6 . 1 1 88 88 MET CB C 88 33.309 33.309 33.118 0.191 25919 3702 1 6 . 1 1 88 88 MET H H 88 9.088 9.088 8.394 0.694 25919 3703 1 6 . 1 1 89 89 VAL N N 89 121.153 121.153 122.143 -0.990 25919 3704 1 6 . 1 1 89 89 VAL HA H 89 4.057 4.057 3.714 0.343 25919 3705 1 6 . 1 1 89 89 VAL C C 89 176.695 176.695 176.436 0.259 25919 3706 1 6 . 1 1 89 89 VAL CA C 89 63.592 63.592 65.200 -1.608 25919 3707 1 6 . 1 1 89 89 VAL CB C 89 32.422 32.422 31.233 1.189 25919 3708 1 6 . 1 1 89 89 VAL H H 89 8.144 8.144 8.249 -0.105 25919 3709 1 6 . 1 1 90 90 SER N N 90 116.778 116.778 108.138 8.640 25919 3710 1 6 . 1 1 90 90 SER HA H 90 4.561 4.561 4.484 0.077 25919 3711 1 6 . 1 1 90 90 SER C C 90 173.898 173.898 174.133 -0.235 25919 3712 1 6 . 1 1 90 90 SER CA C 90 57.895 57.895 57.047 0.848 25919 3713 1 6 . 1 1 90 90 SER CB C 90 63.133 63.133 63.734 -0.602 25919 3714 1 6 . 1 1 90 90 SER H H 90 8.322 8.322 7.688 0.634 25919 3715 1 6 . 1 1 91 91 VAL N N 91 120.735 120.735 123.976 -3.241 25919 3716 1 6 . 1 1 91 91 VAL HA H 91 4.286 4.286 4.005 0.281 25919 3717 1 6 . 1 1 91 91 VAL CA C 91 62.846 62.846 62.302 0.544 25919 3718 1 6 . 1 1 91 91 VAL CB C 91 32.069 32.069 33.387 -1.318 25919 3719 1 6 . 1 1 91 91 VAL H H 91 8.036 8.036 7.239 0.797 25919 3720 1 6 . 1 1 92 92 SER N N 92 118.146 118.146 123.679 -5.533 25919 3721 1 6 . 1 1 92 92 SER HA H 92 4.549 4.549 4.464 0.085 25919 3722 1 6 . 1 1 92 92 SER CA C 92 57.813 57.813 59.006 -1.193 25919 3723 1 6 . 1 1 92 92 SER CB C 92 63.488 63.488 63.006 0.482 25919 3724 1 6 . 1 1 92 92 SER H H 92 8.470 8.470 8.639 -0.169 25919 3725 1 6 . 1 1 93 93 THR N N 93 119.747 119.747 120.033 -0.286 25919 3726 1 6 . 1 1 93 93 THR HA H 93 4.467 4.467 4.383 0.084 25919 3727 1 6 . 1 1 93 93 THR CA C 93 61.005 61.005 61.599 -0.594 25919 3728 1 6 . 1 1 93 93 THR CB C 93 70.592 70.592 68.792 1.800 25919 3729 1 6 . 1 1 93 93 THR H H 93 7.382 7.382 7.600 -0.218 25919 3730 1 6 . 1 1 94 94 PRO HA H 94 4.424 4.424 4.632 -0.208 25919 3731 1 6 . 1 1 94 94 PRO CA C 94 63.060 63.060 62.577 0.483 25919 3732 1 6 . 1 1 94 94 PRO CB C 94 32.798 32.798 32.519 0.279 25919 3733 1 6 . 1 1 95 95 ILE N N 95 124.894 124.894 123.787 1.107 25919 3734 1 6 . 1 1 95 95 ILE HA H 95 3.984 3.984 3.879 0.105 25919 3735 1 6 . 1 1 95 95 ILE CA C 95 63.963 63.963 62.263 1.700 25919 3736 1 6 . 1 1 95 95 ILE CB C 95 38.200 38.200 38.162 0.038 25919 3737 1 6 . 1 1 95 95 ILE H H 95 9.358 9.358 8.607 0.751 25919 3738 1 6 . 1 1 96 96 SER N N 96 117.523 117.523 116.115 1.408 25919 3739 1 6 . 1 1 96 96 SER HA H 96 4.004 4.004 4.116 -0.112 25919 3740 1 6 . 1 1 96 96 SER CA C 96 61.700 61.700 61.850 -0.150 25919 3741 1 6 . 1 1 96 96 SER CB C 96 61.400 61.400 62.701 -1.301 25919 3742 1 6 . 1 1 96 96 SER H H 96 8.202 8.202 8.070 0.132 25919 3743 1 6 . 1 1 97 97 GLU N N 97 123.657 123.657 122.019 1.638 25919 3744 1 6 . 1 1 97 97 GLU HA H 97 4.282 4.282 4.210 0.072 25919 3745 1 6 . 1 1 97 97 GLU CA C 97 58.700 58.700 58.495 0.206 25919 3746 1 6 . 1 1 97 97 GLU CB C 97 29.800 29.800 29.258 0.542 25919 3747 1 6 . 1 1 97 97 GLU H H 97 7.301 7.301 7.716 -0.415 25919 3748 1 6 . 1 1 98 98 VAL N N 98 121.907 121.907 120.396 1.511 25919 3749 1 6 . 1 1 98 98 VAL HA H 98 3.797 3.797 3.748 0.049 25919 3750 1 6 . 1 1 98 98 VAL CA C 98 65.949 65.949 66.842 -0.893 25919 3751 1 6 . 1 1 98 98 VAL CB C 98 32.186 32.186 31.318 0.868 25919 3752 1 6 . 1 1 98 98 VAL H H 98 7.410 7.410 7.812 -0.402 25919 3753 1 6 . 1 1 99 99 TYR N N 99 119.526 119.526 121.336 -1.810 25919 3754 1 6 . 1 1 99 99 TYR HA H 99 4.016 4.016 3.965 0.051 25919 3755 1 6 . 1 1 99 99 TYR C C 99 175.741 175.741 177.190 -1.449 25919 3756 1 6 . 1 1 99 99 TYR CA C 99 62.229 62.229 61.766 0.463 25919 3757 1 6 . 1 1 99 99 TYR CB C 99 38.967 38.967 38.533 0.434 25919 3758 1 6 . 1 1 99 99 TYR H H 99 9.071 9.071 8.496 0.575 25919 3759 1 6 . 1 1 100 100 GLU N N 100 114.405 114.405 118.490 -4.085 25919 3760 1 6 . 1 1 100 100 GLU HA H 100 3.850 3.850 3.828 0.022 25919 3761 1 6 . 1 1 100 100 GLU C C 100 178.094 178.094 178.454 -0.360 25919 3762 1 6 . 1 1 100 100 GLU CA C 100 58.920 58.920 58.457 0.463 25919 3763 1 6 . 1 1 100 100 GLU CB C 100 29.481 29.481 29.142 0.339 25919 3764 1 6 . 1 1 100 100 GLU H H 100 7.342 7.342 8.316 -0.974 25919 3765 1 6 . 1 1 101 101 SER N N 101 109.656 109.656 114.391 -4.735 25919 3766 1 6 . 1 1 101 101 SER HA H 101 4.529 4.529 4.407 0.122 25919 3767 1 6 . 1 1 101 101 SER C C 101 176.681 176.681 175.402 1.279 25919 3768 1 6 . 1 1 101 101 SER CA C 101 60.313 60.313 60.655 -0.342 25919 3769 1 6 . 1 1 101 101 SER CB C 101 64.703 64.703 64.050 0.653 25919 3770 1 6 . 1 1 101 101 SER H H 101 7.410 7.410 7.694 -0.284 25919 3771 1 6 . 1 1 102 102 GLU N N 102 117.283 117.283 118.728 -1.445 25919 3772 1 6 . 1 1 102 102 GLU HA H 102 4.721 4.721 4.612 0.109 25919 3773 1 6 . 1 1 102 102 GLU CA C 102 55.592 55.592 55.095 0.497 25919 3774 1 6 . 1 1 102 102 GLU CB C 102 30.564 30.564 30.235 0.329 25919 3775 1 6 . 1 1 102 102 GLU H H 102 8.500 8.500 8.181 0.319 25919 3776 1 6 . 1 1 103 103 LYS N N 103 118.772 118.772 120.852 -2.080 25919 3777 1 6 . 1 1 103 103 LYS HA H 103 4.179 4.179 4.215 -0.036 25919 3778 1 6 . 1 1 103 103 LYS C C 103 175.032 175.032 177.062 -2.030 25919 3779 1 6 . 1 1 103 103 LYS CA C 103 57.154 57.154 57.526 -0.372 25919 3780 1 6 . 1 1 103 103 LYS CB C 103 32.238 32.238 32.705 -0.467 25919 3781 1 6 . 1 1 103 103 LYS H H 103 7.777 7.777 7.535 0.242 25919 3782 1 6 . 1 1 104 104 ASP N N 104 124.024 124.024 126.588 -2.564 25919 3783 1 6 . 1 1 104 104 ASP HA H 104 5.032 5.032 4.822 0.210 25919 3784 1 6 . 1 1 104 104 ASP C C 104 177.548 177.548 178.063 -0.515 25919 3785 1 6 . 1 1 104 104 ASP CA C 104 53.882 53.882 52.876 1.006 25919 3786 1 6 . 1 1 104 104 ASP CB C 104 43.420 43.420 41.660 1.760 25919 3787 1 6 . 1 1 104 104 ASP H H 104 9.030 9.030 8.929 0.101 25919 3788 1 6 . 1 1 105 105 GLU N N 105 125.669 125.669 118.235 7.434 25919 3789 1 6 . 1 1 105 105 GLU HA H 105 4.179 4.179 4.261 -0.082 25919 3790 1 6 . 1 1 105 105 GLU CA C 105 59.526 59.526 58.648 0.878 25919 3791 1 6 . 1 1 105 105 GLU CB C 105 30.036 30.036 29.280 0.756 25919 3792 1 6 . 1 1 105 105 GLU H H 105 8.894 8.894 8.831 0.063 25919 3793 1 6 . 1 1 106 106 ASP N N 106 119.257 119.257 117.454 1.803 25919 3794 1 6 . 1 1 106 106 ASP HA H 106 4.180 4.180 4.661 -0.481 25919 3795 1 6 . 1 1 106 106 ASP C C 106 176.018 176.018 176.389 -0.371 25919 3796 1 6 . 1 1 106 106 ASP CA C 106 54.750 54.750 54.492 0.258 25919 3797 1 6 . 1 1 106 106 ASP CB C 106 40.250 40.250 41.780 -1.530 25919 3798 1 6 . 1 1 106 106 ASP H H 106 9.838 9.838 8.406 1.432 25919 3799 1 6 . 1 1 107 107 GLY N N 107 106.307 106.307 106.464 -0.157 25919 3800 1 6 . 1 1 107 107 GLY CA C 107 45.125 45.125 45.093 0.032 25919 3801 1 6 . 1 1 107 107 GLY H H 107 7.945 7.945 7.943 0.002 25919 3802 1 6 . 1 1 108 108 PHE N N 108 124.389 124.389 119.217 5.172 25919 3803 1 6 . 1 1 108 108 PHE HA H 108 4.670 4.670 4.640 0.030 25919 3804 1 6 . 1 1 108 108 PHE C C 108 179.501 179.501 174.699 4.802 25919 3805 1 6 . 1 1 108 108 PHE CA C 108 60.288 60.288 58.976 1.312 25919 3806 1 6 . 1 1 108 108 PHE CB C 108 40.506 40.506 40.832 -0.326 25919 3807 1 6 . 1 1 108 108 PHE H H 108 9.739 9.739 8.317 1.422 25919 3808 1 6 . 1 1 109 109 LEU N N 109 120.814 120.814 121.882 -1.068 25919 3809 1 6 . 1 1 109 109 LEU HA H 109 5.038 5.038 5.005 0.033 25919 3810 1 6 . 1 1 109 109 LEU CA C 109 53.479 53.479 53.618 -0.139 25919 3811 1 6 . 1 1 109 109 LEU CB C 109 45.197 45.197 43.738 1.459 25919 3812 1 6 . 1 1 109 109 LEU H H 109 7.968 7.968 8.651 -0.683 25919 3813 1 6 . 1 1 110 110 TYR N N 110 127.403 127.403 126.697 0.706 25919 3814 1 6 . 1 1 110 110 TYR HA H 110 4.907 4.907 4.554 0.353 25919 3815 1 6 . 1 1 110 110 TYR CA C 110 59.259 59.259 59.150 0.109 25919 3816 1 6 . 1 1 110 110 TYR CB C 110 39.469 39.469 39.035 0.434 25919 3817 1 6 . 1 1 110 110 TYR H H 110 9.349 9.349 8.463 0.886 25919 3818 1 6 . 1 1 111 111 MET N N 111 120.344 120.344 123.687 -3.343 25919 3819 1 6 . 1 1 111 111 MET HA H 111 5.543 5.543 5.264 0.279 25919 3820 1 6 . 1 1 111 111 MET CA C 111 54.341 54.341 54.692 -0.351 25919 3821 1 6 . 1 1 111 111 MET CB C 111 36.894 36.894 35.351 1.543 25919 3822 1 6 . 1 1 111 111 MET H H 111 9.575 9.575 9.325 0.250 25919 3823 1 6 . 1 1 112 112 VAL N N 112 121.026 121.026 125.343 -4.317 25919 3824 1 6 . 1 1 112 112 VAL HA H 112 5.938 5.938 4.782 1.156 25919 3825 1 6 . 1 1 112 112 VAL C C 112 176.696 176.696 175.905 0.791 25919 3826 1 6 . 1 1 112 112 VAL CA C 112 59.068 59.068 61.089 -2.021 25919 3827 1 6 . 1 1 112 112 VAL CB C 112 36.180 36.180 31.438 4.742 25919 3828 1 6 . 1 1 112 112 VAL H H 112 8.730 8.730 9.228 -0.498 25919 3829 1 6 . 1 1 113 113 TYR N N 113 119.995 119.995 130.999 -11.004 25919 3830 1 6 . 1 1 113 113 TYR HA H 113 6.143 6.143 4.978 1.165 25919 3831 1 6 . 1 1 113 113 TYR C C 113 173.533 173.533 173.485 0.048 25919 3832 1 6 . 1 1 113 113 TYR CA C 113 54.165 54.165 56.947 -2.782 25919 3833 1 6 . 1 1 113 113 TYR CB C 113 43.667 43.667 38.672 4.995 25919 3834 1 6 . 1 1 113 113 TYR H H 113 8.172 8.172 9.090 -0.918 25919 3835 1 6 . 1 1 114 114 ALA N N 114 120.454 120.454 130.068 -9.614 25919 3836 1 6 . 1 1 114 114 ALA HA H 114 4.750 4.750 4.682 0.068 25919 3837 1 6 . 1 1 114 114 ALA C C 114 176.007 176.007 175.472 0.535 25919 3838 1 6 . 1 1 114 114 ALA CA C 114 51.356 51.356 50.505 0.851 25919 3839 1 6 . 1 1 114 114 ALA CB C 114 24.623 24.623 22.149 2.474 25919 3840 1 6 . 1 1 114 114 ALA H H 114 8.499 8.499 8.652 -0.153 25919 3841 1 6 . 1 1 115 115 SER N N 115 115.279 115.279 112.249 3.030 25919 3842 1 6 . 1 1 115 115 SER HA H 115 4.505 4.505 5.299 -0.794 25919 3843 1 6 . 1 1 115 115 SER C C 115 172.860 172.860 173.650 -0.790 25919 3844 1 6 . 1 1 115 115 SER CA C 115 58.837 58.837 57.928 0.909 25919 3845 1 6 . 1 1 115 115 SER CB C 115 63.798 63.798 64.570 -0.772 25919 3846 1 6 . 1 1 115 115 SER H H 115 9.823 9.823 8.483 1.340 25919 3847 1 6 . 1 1 116 116 GLN N N 116 117.398 117.398 118.765 -1.367 25919 3848 1 6 . 1 1 116 116 GLN HA H 116 4.453 4.453 3.593 0.860 25919 3849 1 6 . 1 1 116 116 GLN C C 116 173.181 173.181 173.961 -0.780 25919 3850 1 6 . 1 1 116 116 GLN CA C 116 54.024 54.024 54.249 -0.225 25919 3851 1 6 . 1 1 116 116 GLN CB C 116 32.179 32.179 29.866 2.313 25919 3852 1 6 . 1 1 116 116 GLN H H 116 7.165 7.165 7.239 -0.074 25919 3853 1 6 . 1 1 117 117 GLU N N 117 118.885 118.885 119.639 -0.754 25919 3854 1 6 . 1 1 117 117 GLU HA H 117 3.224 3.224 3.765 -0.541 25919 3855 1 6 . 1 1 117 117 GLU C C 117 175.451 175.451 175.967 -0.516 25919 3856 1 6 . 1 1 117 117 GLU CA C 117 56.917 56.917 58.253 -1.336 25919 3857 1 6 . 1 1 117 117 GLU CB C 117 30.206 30.206 30.188 0.018 25919 3858 1 6 . 1 1 117 117 GLU H H 117 7.873 7.873 8.272 -0.399 25919 3859 1 6 . 1 1 118 118 THR N N 118 110.883 110.883 107.412 3.471 25919 3860 1 6 . 1 1 118 118 THR HA H 118 4.074 4.074 4.145 -0.071 25919 3861 1 6 . 1 1 118 118 THR C C 118 173.234 173.234 173.897 -0.663 25919 3862 1 6 . 1 1 118 118 THR CA C 118 60.300 60.300 61.520 -1.220 25919 3863 1 6 . 1 1 118 118 THR CB C 118 70.118 70.118 69.524 0.594 25919 3864 1 6 . 1 1 118 118 THR H H 118 6.988 6.988 7.123 -0.135 25919 3865 1 6 . 1 1 119 119 PHE N N 119 122.773 122.773 123.373 -0.600 25919 3866 1 6 . 1 1 119 119 PHE HA H 119 4.397 4.397 4.541 -0.144 25919 3867 1 6 . 1 1 119 119 PHE C C 119 175.045 175.045 177.001 -1.956 25919 3868 1 6 . 1 1 119 119 PHE CA C 119 56.810 56.810 58.354 -1.544 25919 3869 1 6 . 1 1 119 119 PHE CB C 119 39.349 39.349 39.292 0.057 25919 3870 1 6 . 1 1 119 119 PHE H H 119 8.122 8.122 8.920 -0.798 25919 3871 1 7 . 1 1 2 2 PRO HA H 2 4.424 4.424 4.789 -0.365 25919 3872 1 7 . 1 1 2 2 PRO C C 2 176.917 176.917 175.645 1.272 25919 3873 1 7 . 1 1 2 2 PRO CA C 2 63.418 63.418 62.998 0.420 25919 3874 1 7 . 1 1 2 2 PRO CB C 2 32.160 32.160 30.567 1.593 25919 3875 1 7 . 1 1 3 3 SER N N 3 116.273 116.273 115.877 0.396 25919 3876 1 7 . 1 1 3 3 SER HA H 3 4.389 4.389 4.633 -0.244 25919 3877 1 7 . 1 1 3 3 SER C C 3 174.762 174.762 175.129 -0.367 25919 3878 1 7 . 1 1 3 3 SER CA C 3 58.472 58.472 56.595 1.877 25919 3879 1 7 . 1 1 3 3 SER CB C 3 63.913 63.913 64.780 -0.867 25919 3880 1 7 . 1 1 3 3 SER H H 3 8.366 8.366 7.628 0.738 25919 3881 1 7 . 1 1 4 4 GLU N N 4 123.959 123.959 123.935 0.024 25919 3882 1 7 . 1 1 4 4 GLU HA H 4 4.289 4.289 4.283 0.006 25919 3883 1 7 . 1 1 4 4 GLU C C 4 176.545 176.545 176.831 -0.286 25919 3884 1 7 . 1 1 4 4 GLU CA C 4 56.785 56.785 58.450 -1.665 25919 3885 1 7 . 1 1 4 4 GLU CB C 4 30.200 30.200 30.085 0.115 25919 3886 1 7 . 1 1 4 4 GLU H H 4 8.513 8.513 8.825 -0.312 25919 3887 1 7 . 1 1 5 5 LYS N N 5 122.165 122.165 119.815 2.350 25919 3888 1 7 . 1 1 5 5 LYS HA H 5 4.508 4.508 4.283 0.225 25919 3889 1 7 . 1 1 5 5 LYS C C 5 177.178 177.178 176.049 1.129 25919 3890 1 7 . 1 1 5 5 LYS CA C 5 56.000 56.000 56.110 -0.110 25919 3891 1 7 . 1 1 5 5 LYS CB C 5 34.758 34.758 33.075 1.683 25919 3892 1 7 . 1 1 5 5 LYS H H 5 8.198 8.198 7.616 0.582 25919 3893 1 7 . 1 1 6 6 THR N N 6 115.586 115.586 112.420 3.166 25919 3894 1 7 . 1 1 6 6 THR HA H 6 4.426 4.426 4.310 0.116 25919 3895 1 7 . 1 1 6 6 THR C C 6 175.570 175.570 175.431 0.139 25919 3896 1 7 . 1 1 6 6 THR CA C 6 61.120 61.120 62.179 -1.059 25919 3897 1 7 . 1 1 6 6 THR CB C 6 69.871 69.871 69.933 -0.062 25919 3898 1 7 . 1 1 6 6 THR H H 6 8.423 8.423 8.337 0.086 25919 3899 1 7 . 1 1 7 7 PHE N N 7 126.100 126.100 123.776 2.324 25919 3900 1 7 . 1 1 7 7 PHE HA H 7 3.935 3.935 4.337 -0.402 25919 3901 1 7 . 1 1 7 7 PHE CA C 7 63.687 63.687 59.880 3.807 25919 3902 1 7 . 1 1 7 7 PHE CB C 7 39.656 39.656 39.490 0.166 25919 3903 1 7 . 1 1 7 7 PHE H H 7 10.276 10.276 8.900 1.376 25919 3904 1 7 . 1 1 8 8 LYS N N 8 115.026 115.026 120.981 -5.955 25919 3905 1 7 . 1 1 8 8 LYS HA H 8 3.800 3.800 4.161 -0.361 25919 3906 1 7 . 1 1 8 8 LYS CA C 8 59.944 59.944 57.710 2.234 25919 3907 1 7 . 1 1 8 8 LYS CB C 8 33.852 33.852 31.667 2.185 25919 3908 1 7 . 1 1 8 8 LYS H H 8 8.707 8.707 7.884 0.823 25919 3909 1 7 . 1 1 9 9 GLN N N 9 113.774 113.774 117.507 -3.733 25919 3910 1 7 . 1 1 9 9 GLN HA H 9 4.178 4.178 4.125 0.053 25919 3911 1 7 . 1 1 9 9 GLN C C 9 173.193 173.193 177.355 -4.162 25919 3912 1 7 . 1 1 9 9 GLN CA C 9 56.741 56.741 58.037 -1.296 25919 3913 1 7 . 1 1 9 9 GLN CB C 9 30.065 30.065 28.960 1.105 25919 3914 1 7 . 1 1 9 9 GLN H H 9 7.343 7.343 7.931 -0.588 25919 3915 1 7 . 1 1 10 10 ARG N N 10 119.156 119.156 118.329 0.827 25919 3916 1 7 . 1 1 10 10 ARG HA H 10 4.248 4.248 4.292 -0.044 25919 3917 1 7 . 1 1 10 10 ARG CA C 10 57.555 57.555 56.874 0.681 25919 3918 1 7 . 1 1 10 10 ARG CB C 10 31.771 31.771 32.083 -0.312 25919 3919 1 7 . 1 1 10 10 ARG H H 10 7.912 7.912 7.545 0.367 25919 3920 1 7 . 1 1 11 11 ARG N N 11 120.777 120.777 118.473 2.304 25919 3921 1 7 . 1 1 11 11 ARG HA H 11 4.685 4.685 5.074 -0.389 25919 3922 1 7 . 1 1 11 11 ARG CA C 11 53.161 53.161 52.874 0.287 25919 3923 1 7 . 1 1 11 11 ARG CB C 11 32.773 32.773 33.005 -0.233 25919 3924 1 7 . 1 1 11 11 ARG H H 11 7.341 7.341 8.142 -0.801 25919 3925 1 7 . 1 1 12 12 THR N N 12 116.696 116.696 116.016 0.680 25919 3926 1 7 . 1 1 12 12 THR HA H 12 4.358 4.358 4.469 -0.111 25919 3927 1 7 . 1 1 12 12 THR C C 12 175.056 175.056 175.519 -0.463 25919 3928 1 7 . 1 1 12 12 THR CA C 12 61.795 61.795 61.299 0.496 25919 3929 1 7 . 1 1 12 12 THR CB C 12 71.050 71.050 70.634 0.416 25919 3930 1 7 . 1 1 12 12 THR H H 12 8.855 8.855 8.863 -0.008 25919 3931 1 7 . 1 1 13 13 PHE N N 13 123.894 123.894 123.498 0.396 25919 3932 1 7 . 1 1 13 13 PHE HA H 13 4.043 4.043 4.104 -0.061 25919 3933 1 7 . 1 1 13 13 PHE C C 13 176.234 176.234 176.446 -0.212 25919 3934 1 7 . 1 1 13 13 PHE CA C 13 62.947 62.947 62.889 0.058 25919 3935 1 7 . 1 1 13 13 PHE CB C 13 39.571 39.571 39.397 0.174 25919 3936 1 7 . 1 1 13 13 PHE H H 13 9.221 9.221 8.852 0.369 25919 3937 1 7 . 1 1 14 14 GLU N N 14 116.516 116.516 116.963 -0.447 25919 3938 1 7 . 1 1 14 14 GLU HA H 14 3.812 3.812 3.692 0.120 25919 3939 1 7 . 1 1 14 14 GLU CA C 14 60.699 60.699 59.708 0.991 25919 3940 1 7 . 1 1 14 14 GLU CB C 14 28.943 28.943 28.733 0.210 25919 3941 1 7 . 1 1 14 14 GLU H H 14 9.002 9.002 8.875 0.127 25919 3942 1 7 . 1 1 15 15 GLN N N 15 119.291 119.291 118.883 0.408 25919 3943 1 7 . 1 1 15 15 GLN HA H 15 4.024 4.024 4.091 -0.067 25919 3944 1 7 . 1 1 15 15 GLN C C 15 175.263 175.263 178.782 -3.519 25919 3945 1 7 . 1 1 15 15 GLN CA C 15 58.800 58.800 58.790 0.010 25919 3946 1 7 . 1 1 15 15 GLN CB C 15 29.300 29.300 28.750 0.550 25919 3947 1 7 . 1 1 15 15 GLN H H 15 7.706 7.706 7.655 0.051 25919 3948 1 7 . 1 1 16 16 ARG N N 16 122.883 122.883 120.546 2.337 25919 3949 1 7 . 1 1 16 16 ARG HA H 16 4.235 4.235 4.197 0.038 25919 3950 1 7 . 1 1 16 16 ARG CA C 16 61.660 61.660 59.603 2.057 25919 3951 1 7 . 1 1 16 16 ARG CB C 16 30.877 30.877 30.125 0.752 25919 3952 1 7 . 1 1 16 16 ARG H H 16 8.567 8.567 8.475 0.092 25919 3953 1 7 . 1 1 17 17 VAL N N 17 118.523 118.523 120.513 -1.990 25919 3954 1 7 . 1 1 17 17 VAL HA H 17 3.865 3.865 3.709 0.156 25919 3955 1 7 . 1 1 17 17 VAL C C 17 174.213 174.213 178.115 -3.902 25919 3956 1 7 . 1 1 17 17 VAL CA C 17 65.550 65.550 66.061 -0.510 25919 3957 1 7 . 1 1 17 17 VAL CB C 17 32.171 32.171 31.056 1.115 25919 3958 1 7 . 1 1 17 17 VAL H H 17 8.430 8.430 8.429 0.001 25919 3959 1 7 . 1 1 18 18 GLU N N 18 120.170 120.170 120.185 -0.015 25919 3960 1 7 . 1 1 18 18 GLU HA H 18 4.212 4.212 3.890 0.322 25919 3961 1 7 . 1 1 18 18 GLU C C 18 175.758 175.758 178.642 -2.884 25919 3962 1 7 . 1 1 18 18 GLU CA C 18 58.488 58.488 59.925 -1.437 25919 3963 1 7 . 1 1 18 18 GLU CB C 18 29.360 29.360 29.277 0.083 25919 3964 1 7 . 1 1 18 18 GLU H H 18 7.423 7.423 8.266 -0.843 25919 3965 1 7 . 1 1 19 19 ASP N N 19 121.273 121.273 120.355 0.918 25919 3966 1 7 . 1 1 19 19 ASP HA H 19 4.384 4.384 4.406 -0.022 25919 3967 1 7 . 1 1 19 19 ASP C C 19 177.016 177.016 178.615 -1.599 25919 3968 1 7 . 1 1 19 19 ASP CA C 19 56.900 56.900 57.311 -0.411 25919 3969 1 7 . 1 1 19 19 ASP CB C 19 41.884 41.884 40.949 0.935 25919 3970 1 7 . 1 1 19 19 ASP H H 19 7.955 7.955 8.218 -0.263 25919 3971 1 7 . 1 1 20 20 VAL N N 20 119.523 119.523 121.318 -1.795 25919 3972 1 7 . 1 1 20 20 VAL HA H 20 3.232 3.232 3.428 -0.196 25919 3973 1 7 . 1 1 20 20 VAL C C 20 173.876 173.876 177.635 -3.759 25919 3974 1 7 . 1 1 20 20 VAL CA C 20 66.128 66.128 65.912 0.216 25919 3975 1 7 . 1 1 20 20 VAL CB C 20 31.099 31.099 31.558 -0.459 25919 3976 1 7 . 1 1 20 20 VAL H H 20 7.818 7.818 8.293 -0.475 25919 3977 1 7 . 1 1 21 21 ARG N N 21 120.310 120.310 119.578 0.732 25919 3978 1 7 . 1 1 21 21 ARG HA H 21 3.803 3.803 4.025 -0.222 25919 3979 1 7 . 1 1 21 21 ARG CA C 21 59.934 59.934 58.737 1.197 25919 3980 1 7 . 1 1 21 21 ARG CB C 21 30.076 30.076 29.970 0.106 25919 3981 1 7 . 1 1 21 21 ARG H H 21 8.037 8.037 8.205 -0.168 25919 3982 1 7 . 1 1 22 22 LEU N N 22 118.660 118.660 121.425 -2.765 25919 3983 1 7 . 1 1 22 22 LEU HA H 22 4.094 4.094 3.996 0.098 25919 3984 1 7 . 1 1 22 22 LEU C C 22 177.626 177.626 179.016 -1.390 25919 3985 1 7 . 1 1 22 22 LEU CA C 22 57.738 57.738 58.018 -0.280 25919 3986 1 7 . 1 1 22 22 LEU CB C 22 42.222 42.222 41.910 0.312 25919 3987 1 7 . 1 1 22 22 LEU H H 22 8.050 8.050 8.295 -0.245 25919 3988 1 7 . 1 1 23 23 ILE N N 23 122.825 122.825 119.737 3.088 25919 3989 1 7 . 1 1 23 23 ILE HA H 23 4.122 4.122 3.578 0.544 25919 3990 1 7 . 1 1 23 23 ILE C C 23 176.226 176.226 178.578 -2.352 25919 3991 1 7 . 1 1 23 23 ILE CA C 23 61.243 61.243 63.980 -2.737 25919 3992 1 7 . 1 1 23 23 ILE CB C 23 38.268 38.268 36.617 1.651 25919 3993 1 7 . 1 1 23 23 ILE H H 23 8.390 8.390 8.403 -0.013 25919 3994 1 7 . 1 1 24 24 ARG N N 24 122.365 122.365 119.403 2.962 25919 3995 1 7 . 1 1 24 24 ARG HA H 24 4.017 4.017 4.050 -0.033 25919 3996 1 7 . 1 1 24 24 ARG CA C 24 57.684 57.684 58.380 -0.696 25919 3997 1 7 . 1 1 24 24 ARG CB C 24 28.817 28.817 29.881 -1.064 25919 3998 1 7 . 1 1 24 24 ARG H H 24 8.540 8.540 8.273 0.267 25919 3999 1 7 . 1 1 25 25 GLU N N 25 118.383 118.383 118.862 -0.479 25919 4000 1 7 . 1 1 25 25 GLU HA H 25 4.044 4.044 4.086 -0.042 25919 4001 1 7 . 1 1 25 25 GLU CA C 25 58.680 58.680 58.746 -0.066 25919 4002 1 7 . 1 1 25 25 GLU CB C 25 29.850 29.850 29.550 0.299 25919 4003 1 7 . 1 1 25 25 GLU H H 25 7.287 7.287 7.676 -0.389 25919 4004 1 7 . 1 1 26 26 GLN N N 26 117.165 117.165 116.785 0.380 25919 4005 1 7 . 1 1 26 26 GLN HA H 26 3.948 3.948 4.237 -0.289 25919 4006 1 7 . 1 1 26 26 GLN C C 26 176.221 176.221 177.355 -1.134 25919 4007 1 7 . 1 1 26 26 GLN CA C 26 57.638 57.638 57.319 0.319 25919 4008 1 7 . 1 1 26 26 GLN CB C 26 30.320 30.320 29.394 0.926 25919 4009 1 7 . 1 1 26 26 GLN H H 26 7.423 7.423 7.922 -0.499 25919 4010 1 7 . 1 1 27 27 HIS N N 27 117.140 117.140 117.521 -0.381 25919 4011 1 7 . 1 1 27 27 HIS HA H 27 4.866 4.866 4.985 -0.119 25919 4012 1 7 . 1 1 27 27 HIS CA C 27 53.305 53.305 52.389 0.916 25919 4013 1 7 . 1 1 27 27 HIS CB C 27 30.917 30.917 29.567 1.351 25919 4014 1 7 . 1 1 27 27 HIS H H 27 8.254 8.254 8.022 0.232 25919 4015 1 7 . 1 1 28 28 PRO HA H 28 4.609 4.609 4.442 0.167 25919 4016 1 7 . 1 1 28 28 PRO CA C 28 64.881 64.881 65.253 -0.372 25919 4017 1 7 . 1 1 28 28 PRO CB C 28 32.554 32.554 32.209 0.345 25919 4018 1 7 . 1 1 29 29 THR N N 29 107.339 107.339 106.882 0.457 25919 4019 1 7 . 1 1 29 29 THR HA H 29 4.644 4.644 4.130 0.514 25919 4020 1 7 . 1 1 29 29 THR C C 29 172.933 172.933 174.450 -1.517 25919 4021 1 7 . 1 1 29 29 THR CA C 29 60.600 60.600 62.588 -1.988 25919 4022 1 7 . 1 1 29 29 THR CB C 29 68.520 68.520 68.671 -0.151 25919 4023 1 7 . 1 1 29 29 THR H H 29 7.764 7.764 8.327 -0.563 25919 4024 1 7 . 1 1 30 30 LYS N N 30 118.273 118.273 121.556 -3.283 25919 4025 1 7 . 1 1 30 30 LYS HA H 30 4.926 4.926 4.811 0.115 25919 4026 1 7 . 1 1 30 30 LYS C C 30 175.010 175.010 174.942 0.068 25919 4027 1 7 . 1 1 30 30 LYS CA C 30 53.740 53.740 55.300 -1.560 25919 4028 1 7 . 1 1 30 30 LYS CB C 30 36.445 36.445 34.029 2.416 25919 4029 1 7 . 1 1 30 30 LYS H H 30 7.478 7.478 7.518 -0.040 25919 4030 1 7 . 1 1 31 31 ILE N N 31 123.498 123.498 120.316 3.182 25919 4031 1 7 . 1 1 31 31 ILE HA H 31 4.139 4.139 4.279 -0.140 25919 4032 1 7 . 1 1 31 31 ILE CA C 31 54.669 54.669 56.310 -1.641 25919 4033 1 7 . 1 1 31 31 ILE CB C 31 38.427 38.427 39.784 -1.357 25919 4034 1 7 . 1 1 31 31 ILE H H 31 9.235 9.235 8.670 0.565 25919 4035 1 7 . 1 1 32 32 PRO HA H 32 5.212 5.212 4.728 0.484 25919 4036 1 7 . 1 1 32 32 PRO C C 32 174.832 174.832 175.700 -0.868 25919 4037 1 7 . 1 1 32 32 PRO CA C 32 61.678 61.678 62.018 -0.340 25919 4038 1 7 . 1 1 32 32 PRO CB C 32 30.993 30.993 31.573 -0.580 25919 4039 1 7 . 1 1 33 33 VAL N N 33 124.964 124.964 125.508 -0.544 25919 4040 1 7 . 1 1 33 33 VAL HA H 33 5.234 5.234 5.042 0.192 25919 4041 1 7 . 1 1 33 33 VAL CA C 33 59.611 59.611 61.261 -1.650 25919 4042 1 7 . 1 1 33 33 VAL CB C 33 35.711 35.711 35.786 -0.075 25919 4043 1 7 . 1 1 33 33 VAL H H 33 9.289 9.289 9.224 0.065 25919 4044 1 7 . 1 1 34 34 ILE N N 34 127.908 127.908 126.076 1.832 25919 4045 1 7 . 1 1 34 34 ILE HA H 34 4.742 4.742 4.602 0.140 25919 4046 1 7 . 1 1 34 34 ILE CA C 34 56.330 56.330 58.685 -2.355 25919 4047 1 7 . 1 1 34 34 ILE CB C 34 36.629 36.629 39.396 -2.767 25919 4048 1 7 . 1 1 34 34 ILE H H 34 8.594 8.594 9.145 -0.551 25919 4049 1 7 . 1 1 35 35 ILE N N 35 125.405 125.405 127.464 -2.059 25919 4050 1 7 . 1 1 35 35 ILE HA H 35 4.879 4.879 5.297 -0.418 25919 4051 1 7 . 1 1 35 35 ILE C C 35 176.126 176.126 173.887 2.239 25919 4052 1 7 . 1 1 35 35 ILE CA C 35 60.923 60.923 59.546 1.377 25919 4053 1 7 . 1 1 35 35 ILE CB C 35 38.968 38.968 41.102 -2.134 25919 4054 1 7 . 1 1 35 35 ILE H H 35 8.545 8.545 8.796 -0.251 25919 4055 1 7 . 1 1 36 36 GLU N N 36 124.153 124.153 129.126 -4.973 25919 4056 1 7 . 1 1 36 36 GLU HA H 36 4.789 4.789 4.915 -0.126 25919 4057 1 7 . 1 1 36 36 GLU C C 36 173.645 173.645 174.817 -1.172 25919 4058 1 7 . 1 1 36 36 GLU CA C 36 54.282 54.282 54.263 0.019 25919 4059 1 7 . 1 1 36 36 GLU CB C 36 35.401 35.401 34.185 1.216 25919 4060 1 7 . 1 1 36 36 GLU H H 36 8.363 8.363 9.070 -0.707 25919 4061 1 7 . 1 1 37 37 ARG N N 37 123.957 123.957 129.234 -5.277 25919 4062 1 7 . 1 1 37 37 ARG HA H 37 2.804 2.804 3.204 -0.400 25919 4063 1 7 . 1 1 37 37 ARG C C 37 176.456 176.456 175.894 0.562 25919 4064 1 7 . 1 1 37 37 ARG CA C 37 56.120 56.120 56.546 -0.426 25919 4065 1 7 . 1 1 37 37 ARG CB C 37 31.500 31.500 30.328 1.172 25919 4066 1 7 . 1 1 37 37 ARG H H 37 8.853 8.853 8.821 0.032 25919 4067 1 7 . 1 1 38 38 TYR N N 38 129.636 129.636 128.121 1.515 25919 4068 1 7 . 1 1 38 38 TYR HA H 38 4.311 4.311 4.146 0.165 25919 4069 1 7 . 1 1 38 38 TYR CA C 38 57.907 57.907 59.262 -1.355 25919 4070 1 7 . 1 1 38 38 TYR CB C 38 39.567 39.567 39.560 0.007 25919 4071 1 7 . 1 1 38 38 TYR H H 38 8.663 8.663 8.098 0.565 25919 4072 1 7 . 1 1 39 39 LYS N N 39 130.772 130.772 126.296 4.476 25919 4073 1 7 . 1 1 39 39 LYS HA H 39 3.848 3.848 3.687 0.161 25919 4074 1 7 . 1 1 39 39 LYS CA C 39 58.986 58.986 58.723 0.263 25919 4075 1 7 . 1 1 39 39 LYS CB C 39 31.777 31.777 31.508 0.269 25919 4076 1 7 . 1 1 39 39 LYS H H 39 8.389 8.389 8.173 0.216 25919 4077 1 7 . 1 1 40 40 GLY N N 40 106.013 106.013 102.124 3.889 25919 4078 1 7 . 1 1 40 40 GLY C C 40 173.407 173.407 174.177 -0.770 25919 4079 1 7 . 1 1 40 40 GLY CA C 40 44.796 44.796 44.903 -0.107 25919 4080 1 7 . 1 1 40 40 GLY H H 40 5.643 5.643 6.555 -0.912 25919 4081 1 7 . 1 1 41 41 GLU N N 41 123.519 123.519 118.776 4.743 25919 4082 1 7 . 1 1 41 41 GLU HA H 41 4.265 4.265 4.417 -0.152 25919 4083 1 7 . 1 1 41 41 GLU C C 41 176.231 176.231 174.948 1.283 25919 4084 1 7 . 1 1 41 41 GLU CA C 41 56.365 56.365 55.975 0.390 25919 4085 1 7 . 1 1 41 41 GLU CB C 41 31.077 31.077 31.893 -0.816 25919 4086 1 7 . 1 1 41 41 GLU H H 41 7.464 7.464 6.801 0.663 25919 4087 1 7 . 1 1 42 42 LYS N N 42 124.405 124.405 125.254 -0.849 25919 4088 1 7 . 1 1 42 42 LYS HA H 42 4.669 4.669 4.519 0.150 25919 4089 1 7 . 1 1 42 42 LYS C C 42 177.170 177.170 176.356 0.814 25919 4090 1 7 . 1 1 42 42 LYS CA C 42 55.750 55.750 55.556 0.194 25919 4091 1 7 . 1 1 42 42 LYS CB C 42 34.929 34.929 31.704 3.225 25919 4092 1 7 . 1 1 42 42 LYS H H 42 8.895 8.895 8.519 0.376 25919 4093 1 7 . 1 1 43 43 GLN N N 43 119.903 119.903 119.543 0.360 25919 4094 1 7 . 1 1 43 43 GLN HA H 43 4.541 4.541 4.171 0.370 25919 4095 1 7 . 1 1 43 43 GLN C C 43 177.260 177.260 176.676 0.584 25919 4096 1 7 . 1 1 43 43 GLN CA C 43 57.566 57.566 57.155 0.411 25919 4097 1 7 . 1 1 43 43 GLN CB C 43 30.620 30.620 29.111 1.509 25919 4098 1 7 . 1 1 43 43 GLN H H 43 8.459 8.459 8.009 0.450 25919 4099 1 7 . 1 1 44 44 LEU N N 44 121.272 121.272 120.854 0.418 25919 4100 1 7 . 1 1 44 44 LEU HA H 44 4.726 4.726 4.473 0.253 25919 4101 1 7 . 1 1 44 44 LEU CA C 44 53.165 53.165 53.482 -0.317 25919 4102 1 7 . 1 1 44 44 LEU CB C 44 43.444 43.444 41.683 1.761 25919 4103 1 7 . 1 1 44 44 LEU H H 44 9.002 9.002 8.215 0.787 25919 4104 1 7 . 1 1 45 45 PRO HA H 45 4.722 4.722 4.404 0.318 25919 4105 1 7 . 1 1 45 45 PRO CA C 45 62.169 62.169 63.508 -1.339 25919 4106 1 7 . 1 1 45 45 PRO CB C 45 32.722 32.722 32.123 0.599 25919 4107 1 7 . 1 1 46 46 VAL N N 46 118.403 118.403 118.732 -0.329 25919 4108 1 7 . 1 1 46 46 VAL HA H 46 4.009 4.009 4.449 -0.440 25919 4109 1 7 . 1 1 46 46 VAL C C 46 173.416 173.416 175.242 -1.826 25919 4110 1 7 . 1 1 46 46 VAL CA C 46 62.413 62.413 60.913 1.500 25919 4111 1 7 . 1 1 46 46 VAL CB C 46 33.087 33.087 31.652 1.435 25919 4112 1 7 . 1 1 46 46 VAL H H 46 8.349 8.349 8.311 0.038 25919 4113 1 7 . 1 1 47 47 LEU N N 47 128.653 128.653 121.631 7.022 25919 4114 1 7 . 1 1 47 47 LEU HA H 47 4.452 4.452 4.220 0.232 25919 4115 1 7 . 1 1 47 47 LEU CA C 47 54.758 54.758 56.011 -1.254 25919 4116 1 7 . 1 1 47 47 LEU CB C 47 44.076 44.076 41.867 2.209 25919 4117 1 7 . 1 1 47 47 LEU H H 47 8.064 8.064 7.871 0.193 25919 4118 1 7 . 1 1 48 48 ASP N N 48 121.042 121.042 119.835 1.207 25919 4119 1 7 . 1 1 48 48 ASP HA H 48 4.347 4.347 4.604 -0.257 25919 4120 1 7 . 1 1 48 48 ASP CA C 48 55.600 55.600 53.437 2.163 25919 4121 1 7 . 1 1 48 48 ASP CB C 48 40.407 40.407 38.866 1.541 25919 4122 1 7 . 1 1 48 48 ASP H H 48 8.649 8.649 8.696 -0.047 25919 4123 1 7 . 1 1 49 49 LYS N N 49 118.877 118.877 118.820 0.057 25919 4124 1 7 . 1 1 49 49 LYS HA H 49 4.541 4.541 4.591 -0.050 25919 4125 1 7 . 1 1 49 49 LYS C C 49 179.744 179.744 176.035 3.709 25919 4126 1 7 . 1 1 49 49 LYS CA C 49 54.099 54.099 55.865 -1.766 25919 4127 1 7 . 1 1 49 49 LYS CB C 49 35.378 35.378 36.036 -0.658 25919 4128 1 7 . 1 1 49 49 LYS H H 49 7.287 7.287 7.814 -0.527 25919 4129 1 7 . 1 1 50 50 THR N N 50 114.691 114.691 112.884 1.807 25919 4130 1 7 . 1 1 50 50 THR HA H 50 4.628 4.628 4.762 -0.134 25919 4131 1 7 . 1 1 50 50 THR CA C 50 63.920 63.920 61.703 2.217 25919 4132 1 7 . 1 1 50 50 THR CB C 50 71.365 71.365 70.575 0.790 25919 4133 1 7 . 1 1 50 50 THR H H 50 8.064 8.064 8.137 -0.073 25919 4134 1 7 . 1 1 51 51 LYS N N 51 120.273 120.273 120.598 -0.325 25919 4135 1 7 . 1 1 51 51 LYS HA H 51 4.570 4.570 4.830 -0.260 25919 4136 1 7 . 1 1 51 51 LYS CA C 51 54.997 54.997 55.101 -0.104 25919 4137 1 7 . 1 1 51 51 LYS CB C 51 32.700 32.700 35.497 -2.797 25919 4138 1 7 . 1 1 51 51 LYS H H 51 7.192 7.192 7.098 0.094 25919 4139 1 7 . 1 1 52 52 PHE N N 52 121.816 121.816 120.982 0.834 25919 4140 1 7 . 1 1 52 52 PHE HA H 52 5.503 5.503 4.724 0.779 25919 4141 1 7 . 1 1 52 52 PHE CA C 52 56.104 56.104 57.184 -1.080 25919 4142 1 7 . 1 1 52 52 PHE CB C 52 43.188 43.188 43.215 -0.027 25919 4143 1 7 . 1 1 52 52 PHE H H 52 9.466 9.466 9.234 0.232 25919 4144 1 7 . 1 1 53 53 LEU N N 53 120.846 120.846 124.947 -4.101 25919 4145 1 7 . 1 1 53 53 LEU HA H 53 5.135 5.135 4.866 0.269 25919 4146 1 7 . 1 1 53 53 LEU C C 53 175.042 175.042 176.230 -1.188 25919 4147 1 7 . 1 1 53 53 LEU CA C 53 52.916 52.916 53.948 -1.032 25919 4148 1 7 . 1 1 53 53 LEU CB C 53 45.242 45.242 42.391 2.851 25919 4149 1 7 . 1 1 53 53 LEU H H 53 8.608 8.608 8.697 -0.089 25919 4150 1 7 . 1 1 54 54 VAL N N 54 123.773 123.773 125.917 -2.144 25919 4151 1 7 . 1 1 54 54 VAL HA H 54 4.755 4.755 4.511 0.244 25919 4152 1 7 . 1 1 54 54 VAL CA C 54 58.622 58.622 58.712 -0.090 25919 4153 1 7 . 1 1 54 54 VAL CB C 54 35.150 35.150 32.971 2.179 25919 4154 1 7 . 1 1 54 54 VAL H H 54 8.801 8.801 8.802 -0.001 25919 4155 1 7 . 1 1 55 55 PRO HA H 55 4.435 4.435 4.562 -0.127 25919 4156 1 7 . 1 1 55 55 PRO C C 55 176.427 176.427 178.154 -1.727 25919 4157 1 7 . 1 1 55 55 PRO CA C 55 64.298 64.298 63.152 1.146 25919 4158 1 7 . 1 1 55 55 PRO CB C 55 32.822 32.822 32.023 0.799 25919 4159 1 7 . 1 1 56 56 ASP N N 56 121.214 121.214 124.657 -3.443 25919 4160 1 7 . 1 1 56 56 ASP HA H 56 3.880 3.880 4.239 -0.359 25919 4161 1 7 . 1 1 56 56 ASP CA C 56 56.742 56.742 57.606 -0.864 25919 4162 1 7 . 1 1 56 56 ASP CB C 56 40.481 40.481 40.231 0.250 25919 4163 1 7 . 1 1 56 56 ASP H H 56 8.336 8.336 8.848 -0.512 25919 4164 1 7 . 1 1 57 57 HIS N N 57 114.277 114.277 117.773 -3.496 25919 4165 1 7 . 1 1 57 57 HIS HA H 57 4.772 4.772 4.661 0.111 25919 4166 1 7 . 1 1 57 57 HIS C C 57 174.806 174.806 176.179 -1.373 25919 4167 1 7 . 1 1 57 57 HIS CA C 57 55.688 55.688 57.265 -1.577 25919 4168 1 7 . 1 1 57 57 HIS CB C 57 30.450 30.450 29.795 0.655 25919 4169 1 7 . 1 1 57 57 HIS H H 57 7.464 7.464 8.387 -0.923 25919 4170 1 7 . 1 1 58 58 VAL N N 58 123.531 123.531 121.900 1.631 25919 4171 1 7 . 1 1 58 58 VAL HA H 58 3.909 3.909 3.907 0.002 25919 4172 1 7 . 1 1 58 58 VAL C C 58 177.148 177.148 175.011 2.137 25919 4173 1 7 . 1 1 58 58 VAL CA C 58 62.900 62.900 63.362 -0.462 25919 4174 1 7 . 1 1 58 58 VAL CB C 58 32.320 32.320 31.994 0.326 25919 4175 1 7 . 1 1 58 58 VAL H H 58 7.261 7.261 7.892 -0.631 25919 4176 1 7 . 1 1 59 59 ASN N N 59 124.147 124.147 124.122 0.025 25919 4177 1 7 . 1 1 59 59 ASN HA H 59 5.174 5.174 5.110 0.064 25919 4178 1 7 . 1 1 59 59 ASN C C 59 175.176 175.176 176.667 -1.491 25919 4179 1 7 . 1 1 59 59 ASN CA C 59 51.374 51.374 51.963 -0.589 25919 4180 1 7 . 1 1 59 59 ASN CB C 59 40.038 40.038 39.981 0.057 25919 4181 1 7 . 1 1 59 59 ASN H H 59 8.819 8.819 8.177 0.642 25919 4182 1 7 . 1 1 60 60 MET N N 60 117.583 117.583 118.033 -0.450 25919 4183 1 7 . 1 1 60 60 MET HA H 60 4.425 4.425 4.178 0.247 25919 4184 1 7 . 1 1 60 60 MET CA C 60 57.271 57.271 57.715 -0.444 25919 4185 1 7 . 1 1 60 60 MET CB C 60 30.063 30.063 31.024 -0.961 25919 4186 1 7 . 1 1 60 60 MET H H 60 8.023 8.023 8.289 -0.266 25919 4187 1 7 . 1 1 61 61 SER N N 61 115.027 115.027 115.937 -0.910 25919 4188 1 7 . 1 1 61 61 SER HA H 61 4.138 4.138 4.103 0.035 25919 4189 1 7 . 1 1 61 61 SER C C 61 178.809 178.809 176.605 2.204 25919 4190 1 7 . 1 1 61 61 SER CA C 61 61.553 61.553 61.682 -0.129 25919 4191 1 7 . 1 1 61 61 SER CB C 61 62.581 62.581 62.865 -0.284 25919 4192 1 7 . 1 1 61 61 SER H H 61 8.350 8.350 8.129 0.221 25919 4193 1 7 . 1 1 62 62 GLU N N 62 123.657 123.657 122.419 1.238 25919 4194 1 7 . 1 1 62 62 GLU HA H 62 3.979 3.979 4.060 -0.081 25919 4195 1 7 . 1 1 62 62 GLU C C 62 176.456 176.456 178.535 -2.079 25919 4196 1 7 . 1 1 62 62 GLU CA C 62 58.726 58.726 58.942 -0.216 25919 4197 1 7 . 1 1 62 62 GLU CB C 62 29.700 29.700 29.460 0.240 25919 4198 1 7 . 1 1 62 62 GLU H H 62 7.994 7.994 8.480 -0.486 25919 4199 1 7 . 1 1 63 63 LEU N N 63 121.225 121.225 121.265 -0.040 25919 4200 1 7 . 1 1 63 63 LEU HA H 63 3.949 3.949 3.929 0.020 25919 4201 1 7 . 1 1 63 63 LEU C C 63 178.113 178.113 178.536 -0.423 25919 4202 1 7 . 1 1 63 63 LEU CA C 63 57.860 57.860 58.201 -0.341 25919 4203 1 7 . 1 1 63 63 LEU CB C 63 41.526 41.526 41.871 -0.345 25919 4204 1 7 . 1 1 63 63 LEU H H 63 8.223 8.223 8.205 0.018 25919 4205 1 7 . 1 1 64 64 ILE N N 64 119.273 119.273 119.054 0.219 25919 4206 1 7 . 1 1 64 64 ILE HA H 64 3.375 3.375 3.530 -0.155 25919 4207 1 7 . 1 1 64 64 ILE CA C 64 66.723 66.723 65.744 0.979 25919 4208 1 7 . 1 1 64 64 ILE CB C 64 38.161 38.161 37.592 0.569 25919 4209 1 7 . 1 1 64 64 ILE H H 64 8.301 8.301 8.412 -0.111 25919 4210 1 7 . 1 1 65 65 LYS N N 65 119.143 119.143 119.657 -0.514 25919 4211 1 7 . 1 1 65 65 LYS HA H 65 3.703 3.703 3.833 -0.130 25919 4212 1 7 . 1 1 65 65 LYS C C 65 173.869 173.869 178.684 -4.815 25919 4213 1 7 . 1 1 65 65 LYS CA C 65 60.451 60.451 60.155 0.296 25919 4214 1 7 . 1 1 65 65 LYS CB C 65 32.300 32.300 32.184 0.116 25919 4215 1 7 . 1 1 65 65 LYS H H 65 7.300 7.300 7.958 -0.658 25919 4216 1 7 . 1 1 66 66 ILE N N 66 120.527 120.527 121.037 -0.510 25919 4217 1 7 . 1 1 66 66 ILE HA H 66 3.541 3.541 3.758 -0.217 25919 4218 1 7 . 1 1 66 66 ILE C C 66 176.459 176.459 177.580 -1.121 25919 4219 1 7 . 1 1 66 66 ILE CA C 66 65.290 65.290 63.748 1.542 25919 4220 1 7 . 1 1 66 66 ILE CB C 66 38.254 38.254 37.565 0.689 25919 4221 1 7 . 1 1 66 66 ILE H H 66 8.048 8.048 7.463 0.585 25919 4222 1 7 . 1 1 67 67 ILE N N 67 121.527 121.527 121.578 -0.051 25919 4223 1 7 . 1 1 67 67 ILE HA H 67 3.336 3.336 3.466 -0.130 25919 4224 1 7 . 1 1 67 67 ILE C C 67 178.102 178.102 177.831 0.271 25919 4225 1 7 . 1 1 67 67 ILE CA C 67 63.952 63.952 64.263 -0.311 25919 4226 1 7 . 1 1 67 67 ILE CB C 67 35.891 35.891 37.093 -1.202 25919 4227 1 7 . 1 1 67 67 ILE H H 67 8.308 8.308 8.234 0.074 25919 4228 1 7 . 1 1 68 68 ARG N N 68 119.384 119.384 119.501 -0.117 25919 4229 1 7 . 1 1 68 68 ARG HA H 68 2.970 2.970 3.519 -0.549 25919 4230 1 7 . 1 1 68 68 ARG C C 68 172.723 172.723 178.545 -5.822 25919 4231 1 7 . 1 1 68 68 ARG CA C 68 60.704 60.704 59.931 0.773 25919 4232 1 7 . 1 1 68 68 ARG CB C 68 30.320 30.320 29.768 0.552 25919 4233 1 7 . 1 1 68 68 ARG H H 68 8.336 8.336 8.292 0.044 25919 4234 1 7 . 1 1 69 69 ARG N N 69 117.648 117.648 119.371 -1.723 25919 4235 1 7 . 1 1 69 69 ARG HA H 69 4.138 4.138 4.063 0.075 25919 4236 1 7 . 1 1 69 69 ARG C C 69 172.480 172.480 178.975 -6.495 25919 4237 1 7 . 1 1 69 69 ARG CA C 69 58.645 58.645 58.123 0.522 25919 4238 1 7 . 1 1 69 69 ARG CB C 69 29.779 29.779 29.750 0.029 25919 4239 1 7 . 1 1 69 69 ARG H H 69 7.432 7.432 7.923 -0.491 25919 4240 1 7 . 1 1 70 70 ARG N N 70 124.006 124.006 118.261 5.745 25919 4241 1 7 . 1 1 70 70 ARG HA H 70 4.074 4.074 4.164 -0.090 25919 4242 1 7 . 1 1 70 70 ARG C C 70 178.799 178.799 177.847 0.952 25919 4243 1 7 . 1 1 70 70 ARG CA C 70 58.385 58.385 58.193 0.192 25919 4244 1 7 . 1 1 70 70 ARG CB C 70 30.043 30.043 30.162 -0.119 25919 4245 1 7 . 1 1 70 70 ARG H H 70 8.212 8.212 8.025 0.187 25919 4246 1 7 . 1 1 71 71 LEU N N 71 117.764 117.764 117.211 0.553 25919 4247 1 7 . 1 1 71 71 LEU HA H 71 4.085 4.085 4.218 -0.133 25919 4248 1 7 . 1 1 71 71 LEU CA C 71 55.063 55.063 54.682 0.381 25919 4249 1 7 . 1 1 71 71 LEU CB C 71 43.100 43.100 41.739 1.361 25919 4250 1 7 . 1 1 71 71 LEU H H 71 7.750 7.750 7.916 -0.166 25919 4251 1 7 . 1 1 72 72 GLN N N 72 115.522 115.522 115.787 -0.265 25919 4252 1 7 . 1 1 72 72 GLN HA H 72 3.839 3.839 3.906 -0.067 25919 4253 1 7 . 1 1 72 72 GLN C C 72 175.744 175.744 174.912 0.832 25919 4254 1 7 . 1 1 72 72 GLN CA C 72 56.409 56.409 56.508 -0.099 25919 4255 1 7 . 1 1 72 72 GLN CB C 72 25.959 25.959 26.922 -0.964 25919 4256 1 7 . 1 1 72 72 GLN H H 72 7.751 7.751 7.525 0.226 25919 4257 1 7 . 1 1 73 73 LEU N N 73 115.900 115.900 120.187 -4.287 25919 4258 1 7 . 1 1 73 73 LEU HA H 73 4.254 4.254 4.433 -0.179 25919 4259 1 7 . 1 1 73 73 LEU C C 73 178.568 178.568 176.176 2.392 25919 4260 1 7 . 1 1 73 73 LEU CA C 73 54.468 54.468 53.473 0.995 25919 4261 1 7 . 1 1 73 73 LEU CB C 73 42.050 42.050 40.210 1.840 25919 4262 1 7 . 1 1 73 73 LEU H H 73 7.573 7.573 8.025 -0.452 25919 4263 1 7 . 1 1 74 74 ASN N N 74 122.154 122.154 124.164 -2.010 25919 4264 1 7 . 1 1 74 74 ASN HA H 74 4.684 4.684 4.554 0.130 25919 4265 1 7 . 1 1 74 74 ASN C C 74 174.122 174.122 176.605 -2.483 25919 4266 1 7 . 1 1 74 74 ASN CA C 74 52.724 52.724 53.217 -0.493 25919 4267 1 7 . 1 1 74 74 ASN CB C 74 39.579 39.579 40.093 -0.514 25919 4268 1 7 . 1 1 74 74 ASN H H 74 8.949 8.949 7.977 0.972 25919 4269 1 7 . 1 1 75 75 ALA N N 75 124.274 124.274 123.541 0.733 25919 4270 1 7 . 1 1 75 75 ALA HA H 75 3.972 3.972 4.064 -0.092 25919 4271 1 7 . 1 1 75 75 ALA C C 75 178.113 178.113 178.490 -0.377 25919 4272 1 7 . 1 1 75 75 ALA CA C 75 54.900 54.900 54.460 0.440 25919 4273 1 7 . 1 1 75 75 ALA CB C 75 18.708 18.708 18.435 0.273 25919 4274 1 7 . 1 1 75 75 ALA H H 75 8.690 8.690 8.578 0.112 25919 4275 1 7 . 1 1 76 76 ASN N N 76 112.911 112.911 115.707 -2.796 25919 4276 1 7 . 1 1 76 76 ASN HA H 76 4.589 4.589 4.548 0.041 25919 4277 1 7 . 1 1 76 76 ASN C C 76 175.515 175.515 175.690 -0.175 25919 4278 1 7 . 1 1 76 76 ASN CA C 76 53.276 53.276 54.790 -1.514 25919 4279 1 7 . 1 1 76 76 ASN CB C 76 38.343 38.343 38.503 -0.160 25919 4280 1 7 . 1 1 76 76 ASN H H 76 8.340 8.340 8.118 0.222 25919 4281 1 7 . 1 1 77 77 GLN N N 77 121.144 121.144 119.674 1.470 25919 4282 1 7 . 1 1 77 77 GLN HA H 77 4.287 4.287 4.417 -0.130 25919 4283 1 7 . 1 1 77 77 GLN C C 77 175.053 175.053 175.044 0.009 25919 4284 1 7 . 1 1 77 77 GLN CA C 77 55.856 55.856 54.659 1.197 25919 4285 1 7 . 1 1 77 77 GLN CB C 77 30.320 30.320 28.734 1.586 25919 4286 1 7 . 1 1 77 77 GLN H H 77 7.546 7.546 7.809 -0.263 25919 4287 1 7 . 1 1 78 78 ALA N N 78 131.146 131.146 128.313 2.833 25919 4288 1 7 . 1 1 78 78 ALA HA H 78 4.179 4.179 4.324 -0.145 25919 4289 1 7 . 1 1 78 78 ALA C C 78 176.453 176.453 175.999 0.454 25919 4290 1 7 . 1 1 78 78 ALA CA C 78 52.852 52.852 52.540 0.312 25919 4291 1 7 . 1 1 78 78 ALA CB C 78 20.074 20.074 19.547 0.527 25919 4292 1 7 . 1 1 78 78 ALA H H 78 8.730 8.730 8.762 -0.032 25919 4293 1 7 . 1 1 79 79 PHE N N 79 119.860 119.860 125.379 -5.519 25919 4294 1 7 . 1 1 79 79 PHE HA H 79 4.453 4.453 5.357 -0.904 25919 4295 1 7 . 1 1 79 79 PHE C C 79 171.834 171.834 172.792 -0.958 25919 4296 1 7 . 1 1 79 79 PHE CA C 79 59.115 59.115 57.277 1.838 25919 4297 1 7 . 1 1 79 79 PHE CB C 79 42.246 42.246 42.601 -0.355 25919 4298 1 7 . 1 1 79 79 PHE H H 79 7.601 7.601 8.074 -0.473 25919 4299 1 7 . 1 1 80 80 PHE N N 80 126.800 126.800 123.419 3.381 25919 4300 1 7 . 1 1 80 80 PHE HA H 80 4.396 4.396 4.601 -0.205 25919 4301 1 7 . 1 1 80 80 PHE C C 80 173.169 173.169 173.374 -0.205 25919 4302 1 7 . 1 1 80 80 PHE CA C 80 56.859 56.859 56.692 0.167 25919 4303 1 7 . 1 1 80 80 PHE CB C 80 41.946 41.946 43.421 -1.475 25919 4304 1 7 . 1 1 80 80 PHE H H 80 8.504 8.504 8.697 -0.193 25919 4305 1 7 . 1 1 81 81 LEU N N 81 122.590 122.590 123.432 -0.842 25919 4306 1 7 . 1 1 81 81 LEU HA H 81 4.902 4.902 4.630 0.272 25919 4307 1 7 . 1 1 81 81 LEU CA C 81 53.108 53.108 54.259 -1.151 25919 4308 1 7 . 1 1 81 81 LEU CB C 81 45.781 45.781 42.530 3.251 25919 4309 1 7 . 1 1 81 81 LEU H H 81 8.159 8.159 8.644 -0.485 25919 4310 1 7 . 1 1 82 82 LEU N N 82 126.414 126.414 125.952 0.462 25919 4311 1 7 . 1 1 82 82 LEU HA H 82 4.807 4.807 4.704 0.103 25919 4312 1 7 . 1 1 82 82 LEU C C 82 174.204 174.204 176.483 -2.279 25919 4313 1 7 . 1 1 82 82 LEU CA C 82 54.200 54.200 53.669 0.531 25919 4314 1 7 . 1 1 82 82 LEU CB C 82 43.650 43.650 41.037 2.613 25919 4315 1 7 . 1 1 82 82 LEU H H 82 9.347 9.347 9.249 0.098 25919 4316 1 7 . 1 1 83 83 VAL N N 83 123.910 123.910 125.112 -1.202 25919 4317 1 7 . 1 1 83 83 VAL HA H 83 4.466 4.466 4.172 0.294 25919 4318 1 7 . 1 1 83 83 VAL C C 83 175.891 175.891 176.901 -1.010 25919 4319 1 7 . 1 1 83 83 VAL CA C 83 61.339 61.339 63.343 -2.004 25919 4320 1 7 . 1 1 83 83 VAL CB C 83 34.013 34.013 31.607 2.406 25919 4321 1 7 . 1 1 83 83 VAL H H 83 8.676 8.676 8.277 0.399 25919 4322 1 7 . 1 1 84 84 ASN N N 84 127.149 127.149 126.731 0.418 25919 4323 1 7 . 1 1 84 84 ASN HA H 84 4.384 4.384 4.409 -0.025 25919 4324 1 7 . 1 1 84 84 ASN CA C 84 54.494 54.494 54.337 0.157 25919 4325 1 7 . 1 1 84 84 ASN CB C 84 37.933 37.933 37.478 0.455 25919 4326 1 7 . 1 1 84 84 ASN H H 84 9.630 9.630 9.299 0.331 25919 4327 1 7 . 1 1 85 85 GLY N N 85 101.905 101.905 101.848 0.057 25919 4328 1 7 . 1 1 85 85 GLY C C 85 175.112 175.112 172.684 2.428 25919 4329 1 7 . 1 1 85 85 GLY CA C 85 45.624 45.624 45.257 0.367 25919 4330 1 7 . 1 1 85 85 GLY H H 85 8.670 8.670 8.013 0.657 25919 4331 1 7 . 1 1 86 86 HIS N N 86 117.905 117.905 118.035 -0.130 25919 4332 1 7 . 1 1 86 86 HIS HA H 86 5.039 5.039 4.827 0.212 25919 4333 1 7 . 1 1 86 86 HIS CA C 86 53.890 53.890 53.574 0.316 25919 4334 1 7 . 1 1 86 86 HIS CB C 86 30.888 30.888 33.148 -2.260 25919 4335 1 7 . 1 1 86 86 HIS H H 86 7.927 7.927 7.487 0.440 25919 4336 1 7 . 1 1 87 87 SER N N 87 118.646 118.646 117.100 1.546 25919 4337 1 7 . 1 1 87 87 SER HA H 87 4.397 4.397 4.579 -0.182 25919 4338 1 7 . 1 1 87 87 SER C C 87 175.275 175.275 175.065 0.210 25919 4339 1 7 . 1 1 87 87 SER CA C 87 58.414 58.414 59.095 -0.681 25919 4340 1 7 . 1 1 87 87 SER CB C 87 63.772 63.772 63.597 0.175 25919 4341 1 7 . 1 1 87 87 SER H H 87 8.927 8.927 8.388 0.539 25919 4342 1 7 . 1 1 88 88 MET N N 88 126.013 126.013 126.740 -0.727 25919 4343 1 7 . 1 1 88 88 MET HA H 88 4.851 4.851 4.776 0.075 25919 4344 1 7 . 1 1 88 88 MET C C 88 178.796 178.796 176.762 2.034 25919 4345 1 7 . 1 1 88 88 MET CA C 88 54.727 54.727 55.225 -0.498 25919 4346 1 7 . 1 1 88 88 MET CB C 88 33.309 33.309 33.242 0.067 25919 4347 1 7 . 1 1 88 88 MET H H 88 9.088 9.088 8.669 0.419 25919 4348 1 7 . 1 1 89 89 VAL N N 89 121.153 121.153 121.986 -0.833 25919 4349 1 7 . 1 1 89 89 VAL HA H 89 4.057 4.057 3.643 0.414 25919 4350 1 7 . 1 1 89 89 VAL C C 89 176.695 176.695 176.570 0.125 25919 4351 1 7 . 1 1 89 89 VAL CA C 89 63.592 63.592 66.330 -2.738 25919 4352 1 7 . 1 1 89 89 VAL CB C 89 32.422 32.422 31.605 0.817 25919 4353 1 7 . 1 1 89 89 VAL H H 89 8.144 8.144 7.715 0.429 25919 4354 1 7 . 1 1 90 90 SER N N 90 116.778 116.778 111.728 5.050 25919 4355 1 7 . 1 1 90 90 SER HA H 90 4.561 4.561 4.334 0.227 25919 4356 1 7 . 1 1 90 90 SER C C 90 173.898 173.898 175.152 -1.254 25919 4357 1 7 . 1 1 90 90 SER CA C 90 57.895 57.895 58.325 -0.430 25919 4358 1 7 . 1 1 90 90 SER CB C 90 63.133 63.133 63.422 -0.289 25919 4359 1 7 . 1 1 90 90 SER H H 90 8.322 8.322 7.968 0.354 25919 4360 1 7 . 1 1 91 91 VAL N N 91 120.735 120.735 122.966 -2.231 25919 4361 1 7 . 1 1 91 91 VAL HA H 91 4.286 4.286 4.061 0.225 25919 4362 1 7 . 1 1 91 91 VAL CA C 91 62.846 62.846 62.216 0.630 25919 4363 1 7 . 1 1 91 91 VAL CB C 91 32.069 32.069 32.803 -0.734 25919 4364 1 7 . 1 1 91 91 VAL H H 91 8.036 8.036 7.475 0.561 25919 4365 1 7 . 1 1 92 92 SER N N 92 118.146 118.146 122.242 -4.096 25919 4366 1 7 . 1 1 92 92 SER HA H 92 4.549 4.549 4.544 0.005 25919 4367 1 7 . 1 1 92 92 SER CA C 92 57.813 57.813 58.316 -0.503 25919 4368 1 7 . 1 1 92 92 SER CB C 92 63.488 63.488 63.255 0.232 25919 4369 1 7 . 1 1 92 92 SER H H 92 8.470 8.470 8.724 -0.254 25919 4370 1 7 . 1 1 93 93 THR N N 93 119.747 119.747 119.329 0.418 25919 4371 1 7 . 1 1 93 93 THR HA H 93 4.467 4.467 4.488 -0.021 25919 4372 1 7 . 1 1 93 93 THR CA C 93 61.005 61.005 60.082 0.923 25919 4373 1 7 . 1 1 93 93 THR CB C 93 70.592 70.592 69.518 1.074 25919 4374 1 7 . 1 1 93 93 THR H H 93 7.382 7.382 7.496 -0.114 25919 4375 1 7 . 1 1 94 94 PRO HA H 94 4.424 4.424 4.459 -0.035 25919 4376 1 7 . 1 1 94 94 PRO CA C 94 63.060 63.060 63.079 -0.019 25919 4377 1 7 . 1 1 94 94 PRO CB C 94 32.798 32.798 32.352 0.446 25919 4378 1 7 . 1 1 95 95 ILE N N 95 124.894 124.894 123.853 1.041 25919 4379 1 7 . 1 1 95 95 ILE HA H 95 3.984 3.984 3.825 0.159 25919 4380 1 7 . 1 1 95 95 ILE CA C 95 63.963 63.963 62.522 1.441 25919 4381 1 7 . 1 1 95 95 ILE CB C 95 38.200 38.200 38.160 0.040 25919 4382 1 7 . 1 1 95 95 ILE H H 95 9.358 9.358 8.808 0.550 25919 4383 1 7 . 1 1 96 96 SER N N 96 117.523 117.523 115.880 1.643 25919 4384 1 7 . 1 1 96 96 SER HA H 96 4.004 4.004 4.095 -0.091 25919 4385 1 7 . 1 1 96 96 SER CA C 96 61.700 61.700 62.139 -0.439 25919 4386 1 7 . 1 1 96 96 SER CB C 96 61.400 61.400 62.885 -1.485 25919 4387 1 7 . 1 1 96 96 SER H H 96 8.202 8.202 7.744 0.458 25919 4388 1 7 . 1 1 97 97 GLU N N 97 123.657 123.657 121.844 1.813 25919 4389 1 7 . 1 1 97 97 GLU HA H 97 4.282 4.282 4.171 0.111 25919 4390 1 7 . 1 1 97 97 GLU CA C 97 58.700 58.700 58.950 -0.250 25919 4391 1 7 . 1 1 97 97 GLU CB C 97 29.800 29.800 29.275 0.525 25919 4392 1 7 . 1 1 97 97 GLU H H 97 7.301 7.301 7.818 -0.517 25919 4393 1 7 . 1 1 98 98 VAL N N 98 121.907 121.907 121.503 0.404 25919 4394 1 7 . 1 1 98 98 VAL HA H 98 3.797 3.797 3.740 0.057 25919 4395 1 7 . 1 1 98 98 VAL CA C 98 65.949 65.949 66.478 -0.529 25919 4396 1 7 . 1 1 98 98 VAL CB C 98 32.186 32.186 31.651 0.535 25919 4397 1 7 . 1 1 98 98 VAL H H 98 7.410 7.410 7.641 -0.231 25919 4398 1 7 . 1 1 99 99 TYR N N 99 119.526 119.526 120.249 -0.723 25919 4399 1 7 . 1 1 99 99 TYR HA H 99 4.016 4.016 4.056 -0.040 25919 4400 1 7 . 1 1 99 99 TYR C C 99 175.741 175.741 176.854 -1.113 25919 4401 1 7 . 1 1 99 99 TYR CA C 99 62.229 62.229 61.549 0.680 25919 4402 1 7 . 1 1 99 99 TYR CB C 99 38.967 38.967 38.528 0.439 25919 4403 1 7 . 1 1 99 99 TYR H H 99 9.071 9.071 8.482 0.589 25919 4404 1 7 . 1 1 100 100 GLU N N 100 114.405 114.405 116.337 -1.932 25919 4405 1 7 . 1 1 100 100 GLU HA H 100 3.850 3.850 3.839 0.011 25919 4406 1 7 . 1 1 100 100 GLU C C 100 178.094 178.094 179.789 -1.695 25919 4407 1 7 . 1 1 100 100 GLU CA C 100 58.920 58.920 58.675 0.245 25919 4408 1 7 . 1 1 100 100 GLU CB C 100 29.481 29.481 29.452 0.029 25919 4409 1 7 . 1 1 100 100 GLU H H 100 7.342 7.342 8.291 -0.949 25919 4410 1 7 . 1 1 101 101 SER N N 101 109.656 109.656 114.949 -5.293 25919 4411 1 7 . 1 1 101 101 SER HA H 101 4.529 4.529 4.366 0.163 25919 4412 1 7 . 1 1 101 101 SER C C 101 176.681 176.681 175.665 1.016 25919 4413 1 7 . 1 1 101 101 SER CA C 101 60.313 60.313 61.132 -0.819 25919 4414 1 7 . 1 1 101 101 SER CB C 101 64.703 64.703 63.380 1.323 25919 4415 1 7 . 1 1 101 101 SER H H 101 7.410 7.410 8.396 -0.986 25919 4416 1 7 . 1 1 102 102 GLU N N 102 117.283 117.283 120.569 -3.286 25919 4417 1 7 . 1 1 102 102 GLU HA H 102 4.721 4.721 4.695 0.026 25919 4418 1 7 . 1 1 102 102 GLU CA C 102 55.592 55.592 54.719 0.873 25919 4419 1 7 . 1 1 102 102 GLU CB C 102 30.564 30.564 29.302 1.262 25919 4420 1 7 . 1 1 102 102 GLU H H 102 8.500 8.500 7.945 0.555 25919 4421 1 7 . 1 1 103 103 LYS N N 103 118.772 118.772 120.521 -1.749 25919 4422 1 7 . 1 1 103 103 LYS HA H 103 4.179 4.179 4.024 0.155 25919 4423 1 7 . 1 1 103 103 LYS C C 103 175.032 175.032 175.858 -0.826 25919 4424 1 7 . 1 1 103 103 LYS CA C 103 57.154 57.154 57.741 -0.587 25919 4425 1 7 . 1 1 103 103 LYS CB C 103 32.238 32.238 32.813 -0.575 25919 4426 1 7 . 1 1 103 103 LYS H H 103 7.777 7.777 7.132 0.645 25919 4427 1 7 . 1 1 104 104 ASP N N 104 124.024 124.024 123.927 0.097 25919 4428 1 7 . 1 1 104 104 ASP HA H 104 5.032 5.032 4.783 0.249 25919 4429 1 7 . 1 1 104 104 ASP C C 104 177.548 177.548 177.233 0.315 25919 4430 1 7 . 1 1 104 104 ASP CA C 104 53.882 53.882 52.831 1.051 25919 4431 1 7 . 1 1 104 104 ASP CB C 104 43.420 43.420 42.360 1.060 25919 4432 1 7 . 1 1 104 104 ASP H H 104 9.030 9.030 8.159 0.871 25919 4433 1 7 . 1 1 105 105 GLU N N 105 125.669 125.669 121.479 4.190 25919 4434 1 7 . 1 1 105 105 GLU HA H 105 4.179 4.179 4.204 -0.025 25919 4435 1 7 . 1 1 105 105 GLU CA C 105 59.526 59.526 59.111 0.415 25919 4436 1 7 . 1 1 105 105 GLU CB C 105 30.036 30.036 29.583 0.453 25919 4437 1 7 . 1 1 105 105 GLU H H 105 8.894 8.894 8.994 -0.100 25919 4438 1 7 . 1 1 106 106 ASP N N 106 119.257 119.257 117.631 1.626 25919 4439 1 7 . 1 1 106 106 ASP HA H 106 4.180 4.180 4.780 -0.600 25919 4440 1 7 . 1 1 106 106 ASP C C 106 176.018 176.018 177.838 -1.820 25919 4441 1 7 . 1 1 106 106 ASP CA C 106 54.750 54.750 55.434 -0.684 25919 4442 1 7 . 1 1 106 106 ASP CB C 106 40.250 40.250 40.781 -0.530 25919 4443 1 7 . 1 1 106 106 ASP H H 106 9.838 9.838 8.425 1.413 25919 4444 1 7 . 1 1 107 107 GLY N N 107 106.307 106.307 108.041 -1.734 25919 4445 1 7 . 1 1 107 107 GLY CA C 107 45.125 45.125 45.925 -0.800 25919 4446 1 7 . 1 1 107 107 GLY H H 107 7.945 7.945 8.163 -0.218 25919 4447 1 7 . 1 1 108 108 PHE N N 108 124.389 124.389 121.534 2.855 25919 4448 1 7 . 1 1 108 108 PHE HA H 108 4.670 4.670 4.310 0.360 25919 4449 1 7 . 1 1 108 108 PHE C C 108 179.501 179.501 176.372 3.129 25919 4450 1 7 . 1 1 108 108 PHE CA C 108 60.288 60.288 59.275 1.013 25919 4451 1 7 . 1 1 108 108 PHE CB C 108 40.506 40.506 39.453 1.054 25919 4452 1 7 . 1 1 108 108 PHE H H 108 9.739 9.739 7.908 1.831 25919 4453 1 7 . 1 1 109 109 LEU N N 109 120.814 120.814 125.690 -4.876 25919 4454 1 7 . 1 1 109 109 LEU HA H 109 5.038 5.038 4.689 0.349 25919 4455 1 7 . 1 1 109 109 LEU CA C 109 53.479 53.479 54.092 -0.612 25919 4456 1 7 . 1 1 109 109 LEU CB C 109 45.197 45.197 42.955 2.242 25919 4457 1 7 . 1 1 109 109 LEU H H 109 7.968 7.968 8.914 -0.946 25919 4458 1 7 . 1 1 110 110 TYR N N 110 127.403 127.403 127.657 -0.254 25919 4459 1 7 . 1 1 110 110 TYR HA H 110 4.907 4.907 4.590 0.317 25919 4460 1 7 . 1 1 110 110 TYR CA C 110 59.259 59.259 58.924 0.335 25919 4461 1 7 . 1 1 110 110 TYR CB C 110 39.469 39.469 39.060 0.409 25919 4462 1 7 . 1 1 110 110 TYR H H 110 9.349 9.349 8.961 0.388 25919 4463 1 7 . 1 1 111 111 MET N N 111 120.344 120.344 123.280 -2.936 25919 4464 1 7 . 1 1 111 111 MET HA H 111 5.543 5.543 5.159 0.384 25919 4465 1 7 . 1 1 111 111 MET CA C 111 54.341 54.341 54.737 -0.396 25919 4466 1 7 . 1 1 111 111 MET CB C 111 36.894 36.894 35.058 1.836 25919 4467 1 7 . 1 1 111 111 MET H H 111 9.575 9.575 9.104 0.471 25919 4468 1 7 . 1 1 112 112 VAL N N 112 121.026 121.026 124.200 -3.174 25919 4469 1 7 . 1 1 112 112 VAL HA H 112 5.938 5.938 5.046 0.892 25919 4470 1 7 . 1 1 112 112 VAL C C 112 176.696 176.696 175.502 1.194 25919 4471 1 7 . 1 1 112 112 VAL CA C 112 59.068 59.068 61.189 -2.121 25919 4472 1 7 . 1 1 112 112 VAL CB C 112 36.180 36.180 33.422 2.758 25919 4473 1 7 . 1 1 112 112 VAL H H 112 8.730 8.730 8.905 -0.175 25919 4474 1 7 . 1 1 113 113 TYR N N 113 119.995 119.995 121.597 -1.602 25919 4475 1 7 . 1 1 113 113 TYR HA H 113 6.143 6.143 5.837 0.306 25919 4476 1 7 . 1 1 113 113 TYR C C 113 173.533 173.533 173.295 0.238 25919 4477 1 7 . 1 1 113 113 TYR CA C 113 54.165 54.165 55.009 -0.844 25919 4478 1 7 . 1 1 113 113 TYR CB C 113 43.667 43.667 41.911 1.756 25919 4479 1 7 . 1 1 113 113 TYR H H 113 8.172 8.172 9.065 -0.893 25919 4480 1 7 . 1 1 114 114 ALA N N 114 120.454 120.454 126.178 -5.724 25919 4481 1 7 . 1 1 114 114 ALA HA H 114 4.750 4.750 5.003 -0.253 25919 4482 1 7 . 1 1 114 114 ALA C C 114 176.007 176.007 176.475 -0.468 25919 4483 1 7 . 1 1 114 114 ALA CA C 114 51.356 51.356 51.126 0.230 25919 4484 1 7 . 1 1 114 114 ALA CB C 114 24.623 24.623 22.155 2.468 25919 4485 1 7 . 1 1 114 114 ALA H H 114 8.499 8.499 8.188 0.311 25919 4486 1 7 . 1 1 115 115 SER N N 115 115.279 115.279 114.070 1.209 25919 4487 1 7 . 1 1 115 115 SER HA H 115 4.505 4.505 4.770 -0.265 25919 4488 1 7 . 1 1 115 115 SER C C 115 172.860 172.860 174.703 -1.843 25919 4489 1 7 . 1 1 115 115 SER CA C 115 58.837 58.837 59.699 -0.862 25919 4490 1 7 . 1 1 115 115 SER CB C 115 63.798 63.798 63.574 0.224 25919 4491 1 7 . 1 1 115 115 SER H H 115 9.823 9.823 8.962 0.861 25919 4492 1 7 . 1 1 116 116 GLN N N 116 117.398 117.398 119.173 -1.775 25919 4493 1 7 . 1 1 116 116 GLN HA H 116 4.453 4.453 4.366 0.087 25919 4494 1 7 . 1 1 116 116 GLN C C 116 173.181 173.181 174.891 -1.710 25919 4495 1 7 . 1 1 116 116 GLN CA C 116 54.024 54.024 54.805 -0.781 25919 4496 1 7 . 1 1 116 116 GLN CB C 116 32.179 32.179 31.989 0.190 25919 4497 1 7 . 1 1 116 116 GLN H H 116 7.165 7.165 7.557 -0.392 25919 4498 1 7 . 1 1 117 117 GLU N N 117 118.885 118.885 118.318 0.567 25919 4499 1 7 . 1 1 117 117 GLU HA H 117 3.224 3.224 3.316 -0.092 25919 4500 1 7 . 1 1 117 117 GLU C C 117 175.451 175.451 175.588 -0.137 25919 4501 1 7 . 1 1 117 117 GLU CA C 117 56.917 56.917 57.297 -0.380 25919 4502 1 7 . 1 1 117 117 GLU CB C 117 30.206 30.206 29.442 0.764 25919 4503 1 7 . 1 1 117 117 GLU H H 117 7.873 7.873 7.937 -0.064 25919 4504 1 7 . 1 1 118 118 THR N N 118 110.883 110.883 111.453 -0.570 25919 4505 1 7 . 1 1 118 118 THR HA H 118 4.074 4.074 4.236 -0.162 25919 4506 1 7 . 1 1 118 118 THR C C 118 173.234 173.234 172.713 0.521 25919 4507 1 7 . 1 1 118 118 THR CA C 118 60.300 60.300 60.428 -0.128 25919 4508 1 7 . 1 1 118 118 THR CB C 118 70.118 70.118 70.171 -0.053 25919 4509 1 7 . 1 1 118 118 THR H H 118 6.988 6.988 7.208 -0.220 25919 4510 1 7 . 1 1 119 119 PHE N N 119 122.773 122.773 120.010 2.763 25919 4511 1 7 . 1 1 119 119 PHE HA H 119 4.397 4.397 4.761 -0.364 25919 4512 1 7 . 1 1 119 119 PHE C C 119 175.045 175.045 175.654 -0.609 25919 4513 1 7 . 1 1 119 119 PHE CA C 119 56.810 56.810 56.354 0.456 25919 4514 1 7 . 1 1 119 119 PHE CB C 119 39.349 39.349 39.094 0.255 25919 4515 1 7 . 1 1 119 119 PHE H H 119 8.122 8.122 8.209 -0.087 25919 4516 1 8 . 1 1 2 2 PRO HA H 2 4.424 4.424 4.605 -0.181 25919 4517 1 8 . 1 1 2 2 PRO C C 2 176.917 176.917 175.983 0.934 25919 4518 1 8 . 1 1 2 2 PRO CA C 2 63.418 63.418 64.239 -0.821 25919 4519 1 8 . 1 1 2 2 PRO CB C 2 32.160 32.160 30.301 1.859 25919 4520 1 8 . 1 1 3 3 SER N N 3 116.273 116.273 120.223 -3.950 25919 4521 1 8 . 1 1 3 3 SER HA H 3 4.389 4.389 4.516 -0.127 25919 4522 1 8 . 1 1 3 3 SER C C 3 174.762 174.762 174.664 0.098 25919 4523 1 8 . 1 1 3 3 SER CA C 3 58.472 58.472 56.944 1.528 25919 4524 1 8 . 1 1 3 3 SER CB C 3 63.913 63.913 64.727 -0.814 25919 4525 1 8 . 1 1 3 3 SER H H 3 8.366 8.366 7.793 0.573 25919 4526 1 8 . 1 1 4 4 GLU N N 4 123.959 123.959 120.279 3.680 25919 4527 1 8 . 1 1 4 4 GLU HA H 4 4.289 4.289 4.215 0.074 25919 4528 1 8 . 1 1 4 4 GLU C C 4 176.545 176.545 176.471 0.074 25919 4529 1 8 . 1 1 4 4 GLU CA C 4 56.785 56.785 58.060 -1.275 25919 4530 1 8 . 1 1 4 4 GLU CB C 4 30.200 30.200 29.957 0.243 25919 4531 1 8 . 1 1 4 4 GLU H H 4 8.513 8.513 8.521 -0.008 25919 4532 1 8 . 1 1 5 5 LYS N N 5 122.165 122.165 120.263 1.902 25919 4533 1 8 . 1 1 5 5 LYS HA H 5 4.508 4.508 4.315 0.193 25919 4534 1 8 . 1 1 5 5 LYS C C 5 177.178 177.178 175.870 1.308 25919 4535 1 8 . 1 1 5 5 LYS CA C 5 56.000 56.000 55.500 0.500 25919 4536 1 8 . 1 1 5 5 LYS CB C 5 34.758 34.758 33.422 1.336 25919 4537 1 8 . 1 1 5 5 LYS H H 5 8.198 8.198 7.549 0.649 25919 4538 1 8 . 1 1 6 6 THR N N 6 115.586 115.586 114.186 1.400 25919 4539 1 8 . 1 1 6 6 THR HA H 6 4.426 4.426 4.453 -0.027 25919 4540 1 8 . 1 1 6 6 THR C C 6 175.570 175.570 176.273 -0.703 25919 4541 1 8 . 1 1 6 6 THR CA C 6 61.120 61.120 61.347 -0.227 25919 4542 1 8 . 1 1 6 6 THR CB C 6 69.871 69.871 69.890 -0.019 25919 4543 1 8 . 1 1 6 6 THR H H 6 8.423 8.423 7.951 0.472 25919 4544 1 8 . 1 1 7 7 PHE N N 7 126.100 126.100 120.786 5.314 25919 4545 1 8 . 1 1 7 7 PHE HA H 7 3.935 3.935 4.343 -0.408 25919 4546 1 8 . 1 1 7 7 PHE CA C 7 63.687 63.687 60.777 2.910 25919 4547 1 8 . 1 1 7 7 PHE CB C 7 39.656 39.656 38.285 1.371 25919 4548 1 8 . 1 1 7 7 PHE H H 7 10.276 10.276 9.112 1.164 25919 4549 1 8 . 1 1 8 8 LYS N N 8 115.026 115.026 120.015 -4.989 25919 4550 1 8 . 1 1 8 8 LYS HA H 8 3.800 3.800 4.312 -0.512 25919 4551 1 8 . 1 1 8 8 LYS CA C 8 59.944 59.944 57.591 2.353 25919 4552 1 8 . 1 1 8 8 LYS CB C 8 33.852 33.852 31.537 2.315 25919 4553 1 8 . 1 1 8 8 LYS H H 8 8.707 8.707 7.695 1.012 25919 4554 1 8 . 1 1 9 9 GLN N N 9 113.774 113.774 117.988 -4.214 25919 4555 1 8 . 1 1 9 9 GLN HA H 9 4.178 4.178 4.068 0.110 25919 4556 1 8 . 1 1 9 9 GLN C C 9 173.193 173.193 177.147 -3.954 25919 4557 1 8 . 1 1 9 9 GLN CA C 9 56.741 56.741 58.242 -1.501 25919 4558 1 8 . 1 1 9 9 GLN CB C 9 30.065 30.065 29.284 0.781 25919 4559 1 8 . 1 1 9 9 GLN H H 9 7.343 7.343 7.760 -0.417 25919 4560 1 8 . 1 1 10 10 ARG N N 10 119.156 119.156 114.561 4.595 25919 4561 1 8 . 1 1 10 10 ARG HA H 10 4.248 4.248 4.470 -0.222 25919 4562 1 8 . 1 1 10 10 ARG CA C 10 57.555 57.555 56.182 1.373 25919 4563 1 8 . 1 1 10 10 ARG CB C 10 31.771 31.771 32.862 -1.091 25919 4564 1 8 . 1 1 10 10 ARG H H 10 7.912 7.912 7.954 -0.042 25919 4565 1 8 . 1 1 11 11 ARG N N 11 120.777 120.777 120.609 0.168 25919 4566 1 8 . 1 1 11 11 ARG HA H 11 4.685 4.685 4.593 0.092 25919 4567 1 8 . 1 1 11 11 ARG CA C 11 53.161 53.161 54.931 -1.770 25919 4568 1 8 . 1 1 11 11 ARG CB C 11 32.773 32.773 31.613 1.160 25919 4569 1 8 . 1 1 11 11 ARG H H 11 7.341 7.341 8.352 -1.011 25919 4570 1 8 . 1 1 12 12 THR N N 12 116.696 116.696 110.124 6.572 25919 4571 1 8 . 1 1 12 12 THR HA H 12 4.358 4.358 4.708 -0.350 25919 4572 1 8 . 1 1 12 12 THR C C 12 175.056 175.056 175.376 -0.320 25919 4573 1 8 . 1 1 12 12 THR CA C 12 61.795 61.795 59.454 2.341 25919 4574 1 8 . 1 1 12 12 THR CB C 12 71.050 71.050 72.530 -1.480 25919 4575 1 8 . 1 1 12 12 THR H H 12 8.855 8.855 7.768 1.087 25919 4576 1 8 . 1 1 13 13 PHE N N 13 123.894 123.894 123.245 0.649 25919 4577 1 8 . 1 1 13 13 PHE HA H 13 4.043 4.043 4.098 -0.055 25919 4578 1 8 . 1 1 13 13 PHE C C 13 176.234 176.234 176.823 -0.589 25919 4579 1 8 . 1 1 13 13 PHE CA C 13 62.947 62.947 61.546 1.401 25919 4580 1 8 . 1 1 13 13 PHE CB C 13 39.571 39.571 38.952 0.619 25919 4581 1 8 . 1 1 13 13 PHE H H 13 9.221 9.221 8.789 0.432 25919 4582 1 8 . 1 1 14 14 GLU N N 14 116.516 116.516 117.864 -1.348 25919 4583 1 8 . 1 1 14 14 GLU HA H 14 3.812 3.812 3.763 0.049 25919 4584 1 8 . 1 1 14 14 GLU CA C 14 60.699 60.699 59.790 0.909 25919 4585 1 8 . 1 1 14 14 GLU CB C 14 28.943 28.943 28.866 0.077 25919 4586 1 8 . 1 1 14 14 GLU H H 14 9.002 9.002 8.928 0.074 25919 4587 1 8 . 1 1 15 15 GLN N N 15 119.291 119.291 118.397 0.894 25919 4588 1 8 . 1 1 15 15 GLN HA H 15 4.024 4.024 4.018 0.006 25919 4589 1 8 . 1 1 15 15 GLN C C 15 175.263 175.263 178.664 -3.401 25919 4590 1 8 . 1 1 15 15 GLN CA C 15 58.800 58.800 58.663 0.137 25919 4591 1 8 . 1 1 15 15 GLN CB C 15 29.300 29.300 28.772 0.528 25919 4592 1 8 . 1 1 15 15 GLN H H 15 7.706 7.706 7.676 0.030 25919 4593 1 8 . 1 1 16 16 ARG N N 16 122.883 122.883 120.091 2.792 25919 4594 1 8 . 1 1 16 16 ARG HA H 16 4.235 4.235 3.948 0.287 25919 4595 1 8 . 1 1 16 16 ARG CA C 16 61.660 61.660 59.536 2.124 25919 4596 1 8 . 1 1 16 16 ARG CB C 16 30.877 30.877 30.095 0.782 25919 4597 1 8 . 1 1 16 16 ARG H H 16 8.567 8.567 8.287 0.280 25919 4598 1 8 . 1 1 17 17 VAL N N 17 118.523 118.523 120.337 -1.814 25919 4599 1 8 . 1 1 17 17 VAL HA H 17 3.865 3.865 3.629 0.236 25919 4600 1 8 . 1 1 17 17 VAL C C 17 174.213 174.213 177.961 -3.748 25919 4601 1 8 . 1 1 17 17 VAL CA C 17 65.550 65.550 66.490 -0.940 25919 4602 1 8 . 1 1 17 17 VAL CB C 17 32.171 32.171 31.457 0.714 25919 4603 1 8 . 1 1 17 17 VAL H H 17 8.430 8.430 8.347 0.083 25919 4604 1 8 . 1 1 18 18 GLU N N 18 120.170 120.170 119.927 0.243 25919 4605 1 8 . 1 1 18 18 GLU HA H 18 4.212 4.212 3.851 0.361 25919 4606 1 8 . 1 1 18 18 GLU C C 18 175.758 175.758 178.871 -3.113 25919 4607 1 8 . 1 1 18 18 GLU CA C 18 58.488 58.488 59.925 -1.437 25919 4608 1 8 . 1 1 18 18 GLU CB C 18 29.360 29.360 29.292 0.068 25919 4609 1 8 . 1 1 18 18 GLU H H 18 7.423 7.423 7.795 -0.372 25919 4610 1 8 . 1 1 19 19 ASP N N 19 121.273 121.273 120.557 0.716 25919 4611 1 8 . 1 1 19 19 ASP HA H 19 4.384 4.384 4.337 0.047 25919 4612 1 8 . 1 1 19 19 ASP C C 19 177.016 177.016 179.011 -1.995 25919 4613 1 8 . 1 1 19 19 ASP CA C 19 56.900 56.900 57.303 -0.404 25919 4614 1 8 . 1 1 19 19 ASP CB C 19 41.884 41.884 40.357 1.527 25919 4615 1 8 . 1 1 19 19 ASP H H 19 7.955 7.955 8.144 -0.189 25919 4616 1 8 . 1 1 20 20 VAL N N 20 119.523 119.523 120.237 -0.714 25919 4617 1 8 . 1 1 20 20 VAL HA H 20 3.232 3.232 3.627 -0.395 25919 4618 1 8 . 1 1 20 20 VAL C C 20 173.876 173.876 177.798 -3.922 25919 4619 1 8 . 1 1 20 20 VAL CA C 20 66.128 66.128 66.521 -0.393 25919 4620 1 8 . 1 1 20 20 VAL CB C 20 31.099 31.099 31.791 -0.692 25919 4621 1 8 . 1 1 20 20 VAL H H 20 7.818 7.818 8.341 -0.523 25919 4622 1 8 . 1 1 21 21 ARG N N 21 120.310 120.310 120.185 0.125 25919 4623 1 8 . 1 1 21 21 ARG HA H 21 3.803 3.803 4.002 -0.199 25919 4624 1 8 . 1 1 21 21 ARG CA C 21 59.934 59.934 59.780 0.154 25919 4625 1 8 . 1 1 21 21 ARG CB C 21 30.076 30.076 30.264 -0.188 25919 4626 1 8 . 1 1 21 21 ARG H H 21 8.037 8.037 8.189 -0.152 25919 4627 1 8 . 1 1 22 22 LEU N N 22 118.660 118.660 120.571 -1.911 25919 4628 1 8 . 1 1 22 22 LEU HA H 22 4.094 4.094 4.021 0.073 25919 4629 1 8 . 1 1 22 22 LEU C C 22 177.626 177.626 178.906 -1.280 25919 4630 1 8 . 1 1 22 22 LEU CA C 22 57.738 57.738 58.851 -1.113 25919 4631 1 8 . 1 1 22 22 LEU CB C 22 42.222 42.222 41.864 0.358 25919 4632 1 8 . 1 1 22 22 LEU H H 22 8.050 8.050 8.268 -0.218 25919 4633 1 8 . 1 1 23 23 ILE N N 23 122.825 122.825 120.118 2.707 25919 4634 1 8 . 1 1 23 23 ILE HA H 23 4.122 4.122 3.697 0.425 25919 4635 1 8 . 1 1 23 23 ILE C C 23 176.226 176.226 177.613 -1.387 25919 4636 1 8 . 1 1 23 23 ILE CA C 23 61.243 61.243 63.803 -2.560 25919 4637 1 8 . 1 1 23 23 ILE CB C 23 38.268 38.268 37.370 0.898 25919 4638 1 8 . 1 1 23 23 ILE H H 23 8.390 8.390 8.037 0.353 25919 4639 1 8 . 1 1 24 24 ARG N N 24 122.365 122.365 120.241 2.124 25919 4640 1 8 . 1 1 24 24 ARG HA H 24 4.017 4.017 4.066 -0.049 25919 4641 1 8 . 1 1 24 24 ARG CA C 24 57.684 57.684 58.428 -0.744 25919 4642 1 8 . 1 1 24 24 ARG CB C 24 28.817 28.817 29.881 -1.065 25919 4643 1 8 . 1 1 24 24 ARG H H 24 8.540 8.540 8.206 0.334 25919 4644 1 8 . 1 1 25 25 GLU N N 25 118.383 118.383 118.270 0.113 25919 4645 1 8 . 1 1 25 25 GLU HA H 25 4.044 4.044 4.150 -0.106 25919 4646 1 8 . 1 1 25 25 GLU CA C 25 58.680 58.680 58.581 0.099 25919 4647 1 8 . 1 1 25 25 GLU CB C 25 29.850 29.850 29.750 0.100 25919 4648 1 8 . 1 1 25 25 GLU H H 25 7.287 7.287 7.741 -0.454 25919 4649 1 8 . 1 1 26 26 GLN N N 26 117.165 117.165 117.202 -0.037 25919 4650 1 8 . 1 1 26 26 GLN HA H 26 3.948 3.948 4.101 -0.153 25919 4651 1 8 . 1 1 26 26 GLN C C 26 176.221 176.221 176.798 -0.577 25919 4652 1 8 . 1 1 26 26 GLN CA C 26 57.638 57.638 57.282 0.356 25919 4653 1 8 . 1 1 26 26 GLN CB C 26 30.320 30.320 29.542 0.778 25919 4654 1 8 . 1 1 26 26 GLN H H 26 7.423 7.423 8.030 -0.607 25919 4655 1 8 . 1 1 27 27 HIS N N 27 117.140 117.140 118.721 -1.581 25919 4656 1 8 . 1 1 27 27 HIS HA H 27 4.866 4.866 5.061 -0.195 25919 4657 1 8 . 1 1 27 27 HIS CA C 27 53.305 53.305 52.387 0.918 25919 4658 1 8 . 1 1 27 27 HIS CB C 27 30.917 30.917 29.422 1.495 25919 4659 1 8 . 1 1 27 27 HIS H H 27 8.254 8.254 7.937 0.317 25919 4660 1 8 . 1 1 28 28 PRO HA H 28 4.609 4.609 4.362 0.247 25919 4661 1 8 . 1 1 28 28 PRO CA C 28 64.881 64.881 64.951 -0.070 25919 4662 1 8 . 1 1 28 28 PRO CB C 28 32.554 32.554 32.232 0.322 25919 4663 1 8 . 1 1 29 29 THR N N 29 107.339 107.339 109.916 -2.577 25919 4664 1 8 . 1 1 29 29 THR HA H 29 4.644 4.644 4.097 0.547 25919 4665 1 8 . 1 1 29 29 THR C C 29 172.933 172.933 174.282 -1.349 25919 4666 1 8 . 1 1 29 29 THR CA C 29 60.600 60.600 63.323 -2.723 25919 4667 1 8 . 1 1 29 29 THR CB C 29 68.520 68.520 68.478 0.041 25919 4668 1 8 . 1 1 29 29 THR H H 29 7.764 7.764 8.637 -0.873 25919 4669 1 8 . 1 1 30 30 LYS N N 30 118.273 118.273 120.863 -2.590 25919 4670 1 8 . 1 1 30 30 LYS HA H 30 4.926 4.926 5.052 -0.126 25919 4671 1 8 . 1 1 30 30 LYS C C 30 175.010 175.010 174.528 0.482 25919 4672 1 8 . 1 1 30 30 LYS CA C 30 53.740 53.740 54.934 -1.194 25919 4673 1 8 . 1 1 30 30 LYS CB C 30 36.445 36.445 36.095 0.350 25919 4674 1 8 . 1 1 30 30 LYS H H 30 7.478 7.478 7.832 -0.354 25919 4675 1 8 . 1 1 31 31 ILE N N 31 123.498 123.498 121.558 1.940 25919 4676 1 8 . 1 1 31 31 ILE HA H 31 4.139 4.139 4.400 -0.261 25919 4677 1 8 . 1 1 31 31 ILE CA C 31 54.669 54.669 56.208 -1.539 25919 4678 1 8 . 1 1 31 31 ILE CB C 31 38.427 38.427 39.432 -1.005 25919 4679 1 8 . 1 1 31 31 ILE H H 31 9.235 9.235 8.808 0.427 25919 4680 1 8 . 1 1 32 32 PRO HA H 32 5.212 5.212 4.980 0.232 25919 4681 1 8 . 1 1 32 32 PRO C C 32 174.832 174.832 176.123 -1.291 25919 4682 1 8 . 1 1 32 32 PRO CA C 32 61.678 61.678 62.392 -0.714 25919 4683 1 8 . 1 1 32 32 PRO CB C 32 30.993 30.993 31.797 -0.804 25919 4684 1 8 . 1 1 33 33 VAL N N 33 124.964 124.964 123.484 1.480 25919 4685 1 8 . 1 1 33 33 VAL HA H 33 5.234 5.234 5.418 -0.184 25919 4686 1 8 . 1 1 33 33 VAL CA C 33 59.611 59.611 60.469 -0.858 25919 4687 1 8 . 1 1 33 33 VAL CB C 33 35.711 35.711 36.520 -0.809 25919 4688 1 8 . 1 1 33 33 VAL H H 33 9.289 9.289 9.062 0.227 25919 4689 1 8 . 1 1 34 34 ILE N N 34 127.908 127.908 123.598 4.310 25919 4690 1 8 . 1 1 34 34 ILE HA H 34 4.742 4.742 4.975 -0.233 25919 4691 1 8 . 1 1 34 34 ILE CA C 34 56.330 56.330 59.914 -3.584 25919 4692 1 8 . 1 1 34 34 ILE CB C 34 36.629 36.629 41.709 -5.080 25919 4693 1 8 . 1 1 34 34 ILE H H 34 8.594 8.594 9.035 -0.441 25919 4694 1 8 . 1 1 35 35 ILE N N 35 125.405 125.405 126.519 -1.114 25919 4695 1 8 . 1 1 35 35 ILE HA H 35 4.879 4.879 4.972 -0.093 25919 4696 1 8 . 1 1 35 35 ILE C C 35 176.126 176.126 174.165 1.961 25919 4697 1 8 . 1 1 35 35 ILE CA C 35 60.923 60.923 59.130 1.793 25919 4698 1 8 . 1 1 35 35 ILE CB C 35 38.968 38.968 41.285 -2.317 25919 4699 1 8 . 1 1 35 35 ILE H H 35 8.545 8.545 8.909 -0.364 25919 4700 1 8 . 1 1 36 36 GLU N N 36 124.153 124.153 126.646 -2.493 25919 4701 1 8 . 1 1 36 36 GLU HA H 36 4.789 4.789 4.761 0.028 25919 4702 1 8 . 1 1 36 36 GLU C C 36 173.645 173.645 174.749 -1.104 25919 4703 1 8 . 1 1 36 36 GLU CA C 36 54.282 54.282 54.652 -0.370 25919 4704 1 8 . 1 1 36 36 GLU CB C 36 35.401 35.401 34.070 1.331 25919 4705 1 8 . 1 1 36 36 GLU H H 36 8.363 8.363 8.423 -0.060 25919 4706 1 8 . 1 1 37 37 ARG N N 37 123.957 123.957 129.833 -5.876 25919 4707 1 8 . 1 1 37 37 ARG HA H 37 2.804 2.804 4.115 -1.311 25919 4708 1 8 . 1 1 37 37 ARG C C 37 176.456 176.456 175.755 0.701 25919 4709 1 8 . 1 1 37 37 ARG CA C 37 56.120 56.120 56.526 -0.407 25919 4710 1 8 . 1 1 37 37 ARG CB C 37 31.500 31.500 29.279 2.221 25919 4711 1 8 . 1 1 37 37 ARG H H 37 8.853 8.853 8.908 -0.055 25919 4712 1 8 . 1 1 38 38 TYR N N 38 129.636 129.636 129.347 0.289 25919 4713 1 8 . 1 1 38 38 TYR HA H 38 4.311 4.311 4.572 -0.261 25919 4714 1 8 . 1 1 38 38 TYR CA C 38 57.907 57.907 58.974 -1.067 25919 4715 1 8 . 1 1 38 38 TYR CB C 38 39.567 39.567 39.363 0.204 25919 4716 1 8 . 1 1 38 38 TYR H H 38 8.663 8.663 8.202 0.461 25919 4717 1 8 . 1 1 39 39 LYS N N 39 130.772 130.772 128.055 2.717 25919 4718 1 8 . 1 1 39 39 LYS HA H 39 3.848 3.848 3.831 0.017 25919 4719 1 8 . 1 1 39 39 LYS CA C 39 58.986 58.986 58.690 0.296 25919 4720 1 8 . 1 1 39 39 LYS CB C 39 31.777 31.777 32.092 -0.315 25919 4721 1 8 . 1 1 39 39 LYS H H 39 8.389 8.389 8.248 0.141 25919 4722 1 8 . 1 1 40 40 GLY N N 40 106.013 106.013 103.779 2.234 25919 4723 1 8 . 1 1 40 40 GLY C C 40 173.407 173.407 173.921 -0.514 25919 4724 1 8 . 1 1 40 40 GLY CA C 40 44.796 44.796 44.547 0.249 25919 4725 1 8 . 1 1 40 40 GLY H H 40 5.643 5.643 6.651 -1.008 25919 4726 1 8 . 1 1 41 41 GLU N N 41 123.519 123.519 120.383 3.136 25919 4727 1 8 . 1 1 41 41 GLU HA H 41 4.265 4.265 4.378 -0.113 25919 4728 1 8 . 1 1 41 41 GLU C C 41 176.231 176.231 174.992 1.239 25919 4729 1 8 . 1 1 41 41 GLU CA C 41 56.365 56.365 56.062 0.303 25919 4730 1 8 . 1 1 41 41 GLU CB C 41 31.077 31.077 31.818 -0.741 25919 4731 1 8 . 1 1 41 41 GLU H H 41 7.464 7.464 7.691 -0.227 25919 4732 1 8 . 1 1 42 42 LYS N N 42 124.405 124.405 127.614 -3.209 25919 4733 1 8 . 1 1 42 42 LYS HA H 42 4.669 4.669 4.511 0.158 25919 4734 1 8 . 1 1 42 42 LYS C C 42 177.170 177.170 176.486 0.684 25919 4735 1 8 . 1 1 42 42 LYS CA C 42 55.750 55.750 55.715 0.035 25919 4736 1 8 . 1 1 42 42 LYS CB C 42 34.929 34.929 32.141 2.788 25919 4737 1 8 . 1 1 42 42 LYS H H 42 8.895 8.895 8.623 0.272 25919 4738 1 8 . 1 1 43 43 GLN N N 43 119.903 119.903 117.463 2.440 25919 4739 1 8 . 1 1 43 43 GLN HA H 43 4.541 4.541 4.203 0.338 25919 4740 1 8 . 1 1 43 43 GLN C C 43 177.260 177.260 176.463 0.797 25919 4741 1 8 . 1 1 43 43 GLN CA C 43 57.566 57.566 56.665 0.901 25919 4742 1 8 . 1 1 43 43 GLN CB C 43 30.620 30.620 29.731 0.889 25919 4743 1 8 . 1 1 43 43 GLN H H 43 8.459 8.459 8.182 0.277 25919 4744 1 8 . 1 1 44 44 LEU N N 44 121.272 121.272 122.945 -1.673 25919 4745 1 8 . 1 1 44 44 LEU HA H 44 4.726 4.726 4.523 0.203 25919 4746 1 8 . 1 1 44 44 LEU CA C 44 53.165 53.165 52.915 0.250 25919 4747 1 8 . 1 1 44 44 LEU CB C 44 43.444 43.444 41.350 2.094 25919 4748 1 8 . 1 1 44 44 LEU H H 44 9.002 9.002 8.198 0.804 25919 4749 1 8 . 1 1 45 45 PRO HA H 45 4.722 4.722 4.520 0.202 25919 4750 1 8 . 1 1 45 45 PRO CA C 45 62.169 62.169 62.567 -0.398 25919 4751 1 8 . 1 1 45 45 PRO CB C 45 32.722 32.722 32.850 -0.128 25919 4752 1 8 . 1 1 46 46 VAL N N 46 118.403 118.403 125.837 -7.434 25919 4753 1 8 . 1 1 46 46 VAL HA H 46 4.009 4.009 4.062 -0.053 25919 4754 1 8 . 1 1 46 46 VAL C C 46 173.416 173.416 177.434 -4.018 25919 4755 1 8 . 1 1 46 46 VAL CA C 46 62.413 62.413 63.904 -1.491 25919 4756 1 8 . 1 1 46 46 VAL CB C 46 33.087 33.087 32.100 0.987 25919 4757 1 8 . 1 1 46 46 VAL H H 46 8.349 8.349 8.696 -0.347 25919 4758 1 8 . 1 1 47 47 LEU N N 47 128.653 128.653 116.268 12.385 25919 4759 1 8 . 1 1 47 47 LEU HA H 47 4.452 4.452 3.824 0.628 25919 4760 1 8 . 1 1 47 47 LEU CA C 47 54.758 54.758 57.502 -2.744 25919 4761 1 8 . 1 1 47 47 LEU CB C 47 44.076 44.076 40.559 3.517 25919 4762 1 8 . 1 1 47 47 LEU H H 47 8.064 8.064 8.295 -0.231 25919 4763 1 8 . 1 1 48 48 ASP N N 48 121.042 121.042 112.950 8.092 25919 4764 1 8 . 1 1 48 48 ASP HA H 48 4.347 4.347 5.016 -0.669 25919 4765 1 8 . 1 1 48 48 ASP CA C 48 55.600 55.600 53.509 2.091 25919 4766 1 8 . 1 1 48 48 ASP CB C 48 40.407 40.407 42.382 -1.975 25919 4767 1 8 . 1 1 48 48 ASP H H 48 8.649 8.649 8.171 0.478 25919 4768 1 8 . 1 1 49 49 LYS N N 49 118.877 118.877 121.054 -2.177 25919 4769 1 8 . 1 1 49 49 LYS HA H 49 4.541 4.541 4.446 0.095 25919 4770 1 8 . 1 1 49 49 LYS C C 49 179.744 179.744 175.379 4.365 25919 4771 1 8 . 1 1 49 49 LYS CA C 49 54.099 54.099 56.007 -1.907 25919 4772 1 8 . 1 1 49 49 LYS CB C 49 35.378 35.378 33.465 1.913 25919 4773 1 8 . 1 1 49 49 LYS H H 49 7.287 7.287 7.901 -0.614 25919 4774 1 8 . 1 1 50 50 THR N N 50 114.691 114.691 115.867 -1.176 25919 4775 1 8 . 1 1 50 50 THR HA H 50 4.628 4.628 4.568 0.060 25919 4776 1 8 . 1 1 50 50 THR CA C 50 63.920 63.920 62.457 1.463 25919 4777 1 8 . 1 1 50 50 THR CB C 50 71.365 71.365 71.153 0.212 25919 4778 1 8 . 1 1 50 50 THR H H 50 8.064 8.064 8.221 -0.157 25919 4779 1 8 . 1 1 51 51 LYS N N 51 120.273 120.273 122.538 -2.265 25919 4780 1 8 . 1 1 51 51 LYS HA H 51 4.570 4.570 4.214 0.356 25919 4781 1 8 . 1 1 51 51 LYS CA C 51 54.997 54.997 56.802 -1.805 25919 4782 1 8 . 1 1 51 51 LYS CB C 51 32.700 32.700 33.356 -0.656 25919 4783 1 8 . 1 1 51 51 LYS H H 51 7.192 7.192 7.527 -0.335 25919 4784 1 8 . 1 1 52 52 PHE N N 52 121.816 121.816 119.573 2.243 25919 4785 1 8 . 1 1 52 52 PHE HA H 52 5.503 5.503 4.722 0.781 25919 4786 1 8 . 1 1 52 52 PHE CA C 52 56.104 56.104 56.742 -0.638 25919 4787 1 8 . 1 1 52 52 PHE CB C 52 43.188 43.188 42.903 0.285 25919 4788 1 8 . 1 1 52 52 PHE H H 52 9.466 9.466 8.908 0.558 25919 4789 1 8 . 1 1 53 53 LEU N N 53 120.846 120.846 124.233 -3.387 25919 4790 1 8 . 1 1 53 53 LEU HA H 53 5.135 5.135 5.005 0.130 25919 4791 1 8 . 1 1 53 53 LEU C C 53 175.042 175.042 176.269 -1.227 25919 4792 1 8 . 1 1 53 53 LEU CA C 53 52.916 52.916 54.124 -1.208 25919 4793 1 8 . 1 1 53 53 LEU CB C 53 45.242 45.242 43.557 1.685 25919 4794 1 8 . 1 1 53 53 LEU H H 53 8.608 8.608 8.685 -0.077 25919 4795 1 8 . 1 1 54 54 VAL N N 54 123.773 123.773 126.351 -2.578 25919 4796 1 8 . 1 1 54 54 VAL HA H 54 4.755 4.755 4.577 0.178 25919 4797 1 8 . 1 1 54 54 VAL CA C 54 58.622 58.622 58.945 -0.323 25919 4798 1 8 . 1 1 54 54 VAL CB C 54 35.150 35.150 34.353 0.797 25919 4799 1 8 . 1 1 54 54 VAL H H 54 8.801 8.801 8.890 -0.089 25919 4800 1 8 . 1 1 55 55 PRO HA H 55 4.435 4.435 4.588 -0.153 25919 4801 1 8 . 1 1 55 55 PRO C C 55 176.427 176.427 177.969 -1.542 25919 4802 1 8 . 1 1 55 55 PRO CA C 55 64.298 64.298 62.738 1.560 25919 4803 1 8 . 1 1 55 55 PRO CB C 55 32.822 32.822 32.294 0.528 25919 4804 1 8 . 1 1 56 56 ASP N N 56 121.214 121.214 124.541 -3.327 25919 4805 1 8 . 1 1 56 56 ASP HA H 56 3.880 3.880 4.217 -0.337 25919 4806 1 8 . 1 1 56 56 ASP CA C 56 56.742 56.742 57.962 -1.220 25919 4807 1 8 . 1 1 56 56 ASP CB C 56 40.481 40.481 41.056 -0.575 25919 4808 1 8 . 1 1 56 56 ASP H H 56 8.336 8.336 8.638 -0.302 25919 4809 1 8 . 1 1 57 57 HIS N N 57 114.277 114.277 117.192 -2.915 25919 4810 1 8 . 1 1 57 57 HIS HA H 57 4.772 4.772 4.470 0.302 25919 4811 1 8 . 1 1 57 57 HIS C C 57 174.806 174.806 175.669 -0.863 25919 4812 1 8 . 1 1 57 57 HIS CA C 57 55.688 55.688 57.055 -1.367 25919 4813 1 8 . 1 1 57 57 HIS CB C 57 30.450 30.450 29.471 0.979 25919 4814 1 8 . 1 1 57 57 HIS H H 57 7.464 7.464 8.428 -0.964 25919 4815 1 8 . 1 1 58 58 VAL N N 58 123.531 123.531 121.449 2.082 25919 4816 1 8 . 1 1 58 58 VAL HA H 58 3.909 3.909 3.864 0.045 25919 4817 1 8 . 1 1 58 58 VAL C C 58 177.148 177.148 175.116 2.032 25919 4818 1 8 . 1 1 58 58 VAL CA C 58 62.900 62.900 63.085 -0.185 25919 4819 1 8 . 1 1 58 58 VAL CB C 58 32.320 32.320 32.014 0.306 25919 4820 1 8 . 1 1 58 58 VAL H H 58 7.261 7.261 7.728 -0.467 25919 4821 1 8 . 1 1 59 59 ASN N N 59 124.147 124.147 125.399 -1.252 25919 4822 1 8 . 1 1 59 59 ASN HA H 59 5.174 5.174 4.780 0.394 25919 4823 1 8 . 1 1 59 59 ASN C C 59 175.176 175.176 176.390 -1.214 25919 4824 1 8 . 1 1 59 59 ASN CA C 59 51.374 51.374 54.173 -2.799 25919 4825 1 8 . 1 1 59 59 ASN CB C 59 40.038 40.038 39.166 0.871 25919 4826 1 8 . 1 1 59 59 ASN H H 59 8.819 8.819 8.654 0.165 25919 4827 1 8 . 1 1 60 60 MET N N 60 117.583 117.583 122.790 -5.207 25919 4828 1 8 . 1 1 60 60 MET HA H 60 4.425 4.425 4.159 0.266 25919 4829 1 8 . 1 1 60 60 MET CA C 60 57.271 57.271 58.261 -0.991 25919 4830 1 8 . 1 1 60 60 MET CB C 60 30.063 30.063 32.476 -2.413 25919 4831 1 8 . 1 1 60 60 MET H H 60 8.023 8.023 8.893 -0.870 25919 4832 1 8 . 1 1 61 61 SER N N 61 115.027 115.027 114.740 0.287 25919 4833 1 8 . 1 1 61 61 SER HA H 61 4.138 4.138 4.087 0.051 25919 4834 1 8 . 1 1 61 61 SER C C 61 178.809 178.809 176.366 2.443 25919 4835 1 8 . 1 1 61 61 SER CA C 61 61.553 61.553 61.643 -0.090 25919 4836 1 8 . 1 1 61 61 SER CB C 61 62.581 62.581 62.493 0.088 25919 4837 1 8 . 1 1 61 61 SER H H 61 8.350 8.350 7.860 0.490 25919 4838 1 8 . 1 1 62 62 GLU N N 62 123.657 123.657 123.227 0.430 25919 4839 1 8 . 1 1 62 62 GLU HA H 62 3.979 3.979 4.120 -0.141 25919 4840 1 8 . 1 1 62 62 GLU C C 62 176.456 176.456 178.186 -1.730 25919 4841 1 8 . 1 1 62 62 GLU CA C 62 58.726 58.726 58.491 0.235 25919 4842 1 8 . 1 1 62 62 GLU CB C 62 29.700 29.700 29.302 0.398 25919 4843 1 8 . 1 1 62 62 GLU H H 62 7.994 7.994 7.643 0.351 25919 4844 1 8 . 1 1 63 63 LEU N N 63 121.225 121.225 121.604 -0.379 25919 4845 1 8 . 1 1 63 63 LEU HA H 63 3.949 3.949 3.911 0.038 25919 4846 1 8 . 1 1 63 63 LEU C C 63 178.113 178.113 178.462 -0.349 25919 4847 1 8 . 1 1 63 63 LEU CA C 63 57.860 57.860 58.228 -0.368 25919 4848 1 8 . 1 1 63 63 LEU CB C 63 41.526 41.526 41.768 -0.242 25919 4849 1 8 . 1 1 63 63 LEU H H 63 8.223 8.223 8.291 -0.068 25919 4850 1 8 . 1 1 64 64 ILE N N 64 119.273 119.273 119.275 -0.002 25919 4851 1 8 . 1 1 64 64 ILE HA H 64 3.375 3.375 3.552 -0.177 25919 4852 1 8 . 1 1 64 64 ILE CA C 64 66.723 66.723 65.931 0.792 25919 4853 1 8 . 1 1 64 64 ILE CB C 64 38.161 38.161 37.696 0.465 25919 4854 1 8 . 1 1 64 64 ILE H H 64 8.301 8.301 8.235 0.066 25919 4855 1 8 . 1 1 65 65 LYS N N 65 119.143 119.143 120.446 -1.303 25919 4856 1 8 . 1 1 65 65 LYS HA H 65 3.703 3.703 3.983 -0.280 25919 4857 1 8 . 1 1 65 65 LYS C C 65 173.869 173.869 178.900 -5.031 25919 4858 1 8 . 1 1 65 65 LYS CA C 65 60.451 60.451 59.845 0.606 25919 4859 1 8 . 1 1 65 65 LYS CB C 65 32.300 32.300 32.435 -0.135 25919 4860 1 8 . 1 1 65 65 LYS H H 65 7.300 7.300 7.868 -0.568 25919 4861 1 8 . 1 1 66 66 ILE N N 66 120.527 120.527 121.036 -0.509 25919 4862 1 8 . 1 1 66 66 ILE HA H 66 3.541 3.541 3.755 -0.214 25919 4863 1 8 . 1 1 66 66 ILE C C 66 176.459 176.459 177.796 -1.337 25919 4864 1 8 . 1 1 66 66 ILE CA C 66 65.290 65.290 64.153 1.137 25919 4865 1 8 . 1 1 66 66 ILE CB C 66 38.254 38.254 37.506 0.748 25919 4866 1 8 . 1 1 66 66 ILE H H 66 8.048 8.048 7.920 0.128 25919 4867 1 8 . 1 1 67 67 ILE N N 67 121.527 121.527 121.500 0.027 25919 4868 1 8 . 1 1 67 67 ILE HA H 67 3.336 3.336 3.580 -0.244 25919 4869 1 8 . 1 1 67 67 ILE C C 67 178.102 178.102 177.699 0.403 25919 4870 1 8 . 1 1 67 67 ILE CA C 67 63.952 63.952 64.751 -0.799 25919 4871 1 8 . 1 1 67 67 ILE CB C 67 35.891 35.891 37.159 -1.268 25919 4872 1 8 . 1 1 67 67 ILE H H 67 8.308 8.308 8.054 0.254 25919 4873 1 8 . 1 1 68 68 ARG N N 68 119.384 119.384 119.689 -0.305 25919 4874 1 8 . 1 1 68 68 ARG HA H 68 2.970 2.970 3.482 -0.512 25919 4875 1 8 . 1 1 68 68 ARG C C 68 172.723 172.723 178.233 -5.510 25919 4876 1 8 . 1 1 68 68 ARG CA C 68 60.704 60.704 59.874 0.830 25919 4877 1 8 . 1 1 68 68 ARG CB C 68 30.320 30.320 30.138 0.182 25919 4878 1 8 . 1 1 68 68 ARG H H 68 8.336 8.336 8.289 0.047 25919 4879 1 8 . 1 1 69 69 ARG N N 69 117.648 117.648 119.131 -1.483 25919 4880 1 8 . 1 1 69 69 ARG HA H 69 4.138 4.138 4.075 0.063 25919 4881 1 8 . 1 1 69 69 ARG C C 69 172.480 172.480 179.647 -7.167 25919 4882 1 8 . 1 1 69 69 ARG CA C 69 58.645 58.645 58.516 0.130 25919 4883 1 8 . 1 1 69 69 ARG CB C 69 29.779 29.779 29.712 0.067 25919 4884 1 8 . 1 1 69 69 ARG H H 69 7.432 7.432 8.340 -0.908 25919 4885 1 8 . 1 1 70 70 ARG N N 70 124.006 124.006 118.967 5.039 25919 4886 1 8 . 1 1 70 70 ARG HA H 70 4.074 4.074 4.138 -0.064 25919 4887 1 8 . 1 1 70 70 ARG C C 70 178.799 178.799 178.408 0.391 25919 4888 1 8 . 1 1 70 70 ARG CA C 70 58.385 58.385 58.127 0.258 25919 4889 1 8 . 1 1 70 70 ARG CB C 70 30.043 30.043 30.057 -0.014 25919 4890 1 8 . 1 1 70 70 ARG H H 70 8.212 8.212 8.273 -0.061 25919 4891 1 8 . 1 1 71 71 LEU N N 71 117.764 117.764 117.547 0.217 25919 4892 1 8 . 1 1 71 71 LEU HA H 71 4.085 4.085 4.397 -0.312 25919 4893 1 8 . 1 1 71 71 LEU CA C 71 55.063 55.063 54.422 0.641 25919 4894 1 8 . 1 1 71 71 LEU CB C 71 43.100 43.100 41.532 1.568 25919 4895 1 8 . 1 1 71 71 LEU H H 71 7.750 7.750 7.795 -0.045 25919 4896 1 8 . 1 1 72 72 GLN N N 72 115.522 115.522 113.357 2.165 25919 4897 1 8 . 1 1 72 72 GLN HA H 72 3.839 3.839 3.868 -0.029 25919 4898 1 8 . 1 1 72 72 GLN C C 72 175.744 175.744 175.467 0.277 25919 4899 1 8 . 1 1 72 72 GLN CA C 72 56.409 56.409 56.294 0.115 25919 4900 1 8 . 1 1 72 72 GLN CB C 72 25.959 25.959 25.773 0.186 25919 4901 1 8 . 1 1 72 72 GLN H H 72 7.751 7.751 7.464 0.287 25919 4902 1 8 . 1 1 73 73 LEU N N 73 115.900 115.900 119.689 -3.789 25919 4903 1 8 . 1 1 73 73 LEU HA H 73 4.254 4.254 4.221 0.033 25919 4904 1 8 . 1 1 73 73 LEU C C 73 178.568 178.568 176.558 2.010 25919 4905 1 8 . 1 1 73 73 LEU CA C 73 54.468 54.468 54.408 0.060 25919 4906 1 8 . 1 1 73 73 LEU CB C 73 42.050 42.050 39.904 2.146 25919 4907 1 8 . 1 1 73 73 LEU H H 73 7.573 7.573 7.810 -0.237 25919 4908 1 8 . 1 1 74 74 ASN N N 74 122.154 122.154 122.876 -0.722 25919 4909 1 8 . 1 1 74 74 ASN HA H 74 4.684 4.684 4.607 0.077 25919 4910 1 8 . 1 1 74 74 ASN C C 74 174.122 174.122 176.711 -2.589 25919 4911 1 8 . 1 1 74 74 ASN CA C 74 52.724 52.724 53.447 -0.723 25919 4912 1 8 . 1 1 74 74 ASN CB C 74 39.579 39.579 41.084 -1.505 25919 4913 1 8 . 1 1 74 74 ASN H H 74 8.949 8.949 7.848 1.101 25919 4914 1 8 . 1 1 75 75 ALA N N 75 124.274 124.274 126.498 -2.224 25919 4915 1 8 . 1 1 75 75 ALA HA H 75 3.972 3.972 4.158 -0.186 25919 4916 1 8 . 1 1 75 75 ALA C C 75 178.113 178.113 178.353 -0.240 25919 4917 1 8 . 1 1 75 75 ALA CA C 75 54.900 54.900 54.271 0.629 25919 4918 1 8 . 1 1 75 75 ALA CB C 75 18.708 18.708 18.817 -0.109 25919 4919 1 8 . 1 1 75 75 ALA H H 75 8.690 8.690 8.730 -0.040 25919 4920 1 8 . 1 1 76 76 ASN N N 76 112.911 112.911 115.374 -2.463 25919 4921 1 8 . 1 1 76 76 ASN HA H 76 4.589 4.589 4.606 -0.017 25919 4922 1 8 . 1 1 76 76 ASN C C 76 175.515 175.515 175.871 -0.356 25919 4923 1 8 . 1 1 76 76 ASN CA C 76 53.276 53.276 54.409 -1.133 25919 4924 1 8 . 1 1 76 76 ASN CB C 76 38.343 38.343 38.891 -0.548 25919 4925 1 8 . 1 1 76 76 ASN H H 76 8.340 8.340 8.341 -0.001 25919 4926 1 8 . 1 1 77 77 GLN N N 77 121.144 121.144 119.535 1.609 25919 4927 1 8 . 1 1 77 77 GLN HA H 77 4.287 4.287 4.388 -0.101 25919 4928 1 8 . 1 1 77 77 GLN C C 77 175.053 175.053 175.275 -0.222 25919 4929 1 8 . 1 1 77 77 GLN CA C 77 55.856 55.856 54.677 1.179 25919 4930 1 8 . 1 1 77 77 GLN CB C 77 30.320 30.320 28.996 1.324 25919 4931 1 8 . 1 1 77 77 GLN H H 77 7.546 7.546 7.763 -0.217 25919 4932 1 8 . 1 1 78 78 ALA N N 78 131.146 131.146 126.839 4.307 25919 4933 1 8 . 1 1 78 78 ALA HA H 78 4.179 4.179 4.347 -0.168 25919 4934 1 8 . 1 1 78 78 ALA C C 78 176.453 176.453 176.208 0.245 25919 4935 1 8 . 1 1 78 78 ALA CA C 78 52.852 52.852 52.149 0.703 25919 4936 1 8 . 1 1 78 78 ALA CB C 78 20.074 20.074 19.743 0.331 25919 4937 1 8 . 1 1 78 78 ALA H H 78 8.730 8.730 8.408 0.322 25919 4938 1 8 . 1 1 79 79 PHE N N 79 119.860 119.860 124.064 -4.204 25919 4939 1 8 . 1 1 79 79 PHE HA H 79 4.453 4.453 5.088 -0.635 25919 4940 1 8 . 1 1 79 79 PHE C C 79 171.834 171.834 173.056 -1.222 25919 4941 1 8 . 1 1 79 79 PHE CA C 79 59.115 59.115 57.400 1.715 25919 4942 1 8 . 1 1 79 79 PHE CB C 79 42.246 42.246 42.506 -0.260 25919 4943 1 8 . 1 1 79 79 PHE H H 79 7.601 7.601 8.102 -0.501 25919 4944 1 8 . 1 1 80 80 PHE N N 80 126.800 126.800 125.040 1.760 25919 4945 1 8 . 1 1 80 80 PHE HA H 80 4.396 4.396 4.329 0.067 25919 4946 1 8 . 1 1 80 80 PHE C C 80 173.169 173.169 173.307 -0.138 25919 4947 1 8 . 1 1 80 80 PHE CA C 80 56.859 56.859 56.628 0.231 25919 4948 1 8 . 1 1 80 80 PHE CB C 80 41.946 41.946 43.508 -1.562 25919 4949 1 8 . 1 1 80 80 PHE H H 80 8.504 8.504 9.265 -0.761 25919 4950 1 8 . 1 1 81 81 LEU N N 81 122.590 122.590 126.211 -3.621 25919 4951 1 8 . 1 1 81 81 LEU HA H 81 4.902 4.902 4.867 0.035 25919 4952 1 8 . 1 1 81 81 LEU CA C 81 53.108 53.108 53.818 -0.710 25919 4953 1 8 . 1 1 81 81 LEU CB C 81 45.781 45.781 41.992 3.789 25919 4954 1 8 . 1 1 81 81 LEU H H 81 8.159 8.159 8.297 -0.138 25919 4955 1 8 . 1 1 82 82 LEU N N 82 126.414 126.414 127.904 -1.490 25919 4956 1 8 . 1 1 82 82 LEU HA H 82 4.807 4.807 4.545 0.262 25919 4957 1 8 . 1 1 82 82 LEU C C 82 174.204 174.204 176.448 -2.244 25919 4958 1 8 . 1 1 82 82 LEU CA C 82 54.200 54.200 54.082 0.118 25919 4959 1 8 . 1 1 82 82 LEU CB C 82 43.650 43.650 41.406 2.244 25919 4960 1 8 . 1 1 82 82 LEU H H 82 9.347 9.347 9.146 0.201 25919 4961 1 8 . 1 1 83 83 VAL N N 83 123.910 123.910 125.607 -1.697 25919 4962 1 8 . 1 1 83 83 VAL HA H 83 4.466 4.466 3.753 0.713 25919 4963 1 8 . 1 1 83 83 VAL C C 83 175.891 175.891 176.588 -0.697 25919 4964 1 8 . 1 1 83 83 VAL CA C 83 61.339 61.339 63.565 -2.226 25919 4965 1 8 . 1 1 83 83 VAL CB C 83 34.013 34.013 31.564 2.449 25919 4966 1 8 . 1 1 83 83 VAL H H 83 8.676 8.676 8.435 0.241 25919 4967 1 8 . 1 1 84 84 ASN N N 84 127.149 127.149 128.007 -0.858 25919 4968 1 8 . 1 1 84 84 ASN HA H 84 4.384 4.384 4.385 -0.001 25919 4969 1 8 . 1 1 84 84 ASN CA C 84 54.494 54.494 54.107 0.387 25919 4970 1 8 . 1 1 84 84 ASN CB C 84 37.933 37.933 37.609 0.324 25919 4971 1 8 . 1 1 84 84 ASN H H 84 9.630 9.630 9.197 0.433 25919 4972 1 8 . 1 1 85 85 GLY N N 85 101.905 101.905 103.934 -2.029 25919 4973 1 8 . 1 1 85 85 GLY C C 85 175.112 175.112 173.009 2.103 25919 4974 1 8 . 1 1 85 85 GLY CA C 85 45.624 45.624 45.603 0.021 25919 4975 1 8 . 1 1 85 85 GLY H H 85 8.670 8.670 7.920 0.750 25919 4976 1 8 . 1 1 86 86 HIS N N 86 117.905 117.905 118.994 -1.089 25919 4977 1 8 . 1 1 86 86 HIS HA H 86 5.039 5.039 4.941 0.098 25919 4978 1 8 . 1 1 86 86 HIS CA C 86 53.890 53.890 54.143 -0.253 25919 4979 1 8 . 1 1 86 86 HIS CB C 86 30.888 30.888 33.152 -2.264 25919 4980 1 8 . 1 1 86 86 HIS H H 86 7.927 7.927 7.967 -0.040 25919 4981 1 8 . 1 1 87 87 SER N N 87 118.646 118.646 116.876 1.770 25919 4982 1 8 . 1 1 87 87 SER HA H 87 4.397 4.397 4.252 0.145 25919 4983 1 8 . 1 1 87 87 SER C C 87 175.275 175.275 174.734 0.541 25919 4984 1 8 . 1 1 87 87 SER CA C 87 58.414 58.414 58.815 -0.401 25919 4985 1 8 . 1 1 87 87 SER CB C 87 63.772 63.772 63.420 0.352 25919 4986 1 8 . 1 1 87 87 SER H H 87 8.927 8.927 7.860 1.067 25919 4987 1 8 . 1 1 88 88 MET N N 88 126.013 126.013 125.008 1.005 25919 4988 1 8 . 1 1 88 88 MET HA H 88 4.851 4.851 4.658 0.193 25919 4989 1 8 . 1 1 88 88 MET C C 88 178.796 178.796 177.125 1.671 25919 4990 1 8 . 1 1 88 88 MET CA C 88 54.727 54.727 55.467 -0.740 25919 4991 1 8 . 1 1 88 88 MET CB C 88 33.309 33.309 33.575 -0.266 25919 4992 1 8 . 1 1 88 88 MET H H 88 9.088 9.088 9.082 0.006 25919 4993 1 8 . 1 1 89 89 VAL N N 89 121.153 121.153 121.898 -0.745 25919 4994 1 8 . 1 1 89 89 VAL HA H 89 4.057 4.057 3.615 0.442 25919 4995 1 8 . 1 1 89 89 VAL C C 89 176.695 176.695 176.924 -0.229 25919 4996 1 8 . 1 1 89 89 VAL CA C 89 63.592 63.592 66.251 -2.659 25919 4997 1 8 . 1 1 89 89 VAL CB C 89 32.422 32.422 31.478 0.944 25919 4998 1 8 . 1 1 89 89 VAL H H 89 8.144 8.144 7.410 0.735 25919 4999 1 8 . 1 1 90 90 SER N N 90 116.778 116.778 112.544 4.234 25919 5000 1 8 . 1 1 90 90 SER HA H 90 4.561 4.561 4.339 0.222 25919 5001 1 8 . 1 1 90 90 SER C C 90 173.898 173.898 175.043 -1.145 25919 5002 1 8 . 1 1 90 90 SER CA C 90 57.895 57.895 59.157 -1.262 25919 5003 1 8 . 1 1 90 90 SER CB C 90 63.133 63.133 63.594 -0.461 25919 5004 1 8 . 1 1 90 90 SER H H 90 8.322 8.322 8.026 0.296 25919 5005 1 8 . 1 1 91 91 VAL N N 91 120.735 120.735 119.799 0.936 25919 5006 1 8 . 1 1 91 91 VAL HA H 91 4.286 4.286 4.300 -0.014 25919 5007 1 8 . 1 1 91 91 VAL CA C 91 62.846 62.846 61.938 0.908 25919 5008 1 8 . 1 1 91 91 VAL CB C 91 32.069 32.069 33.228 -1.159 25919 5009 1 8 . 1 1 91 91 VAL H H 91 8.036 8.036 7.333 0.703 25919 5010 1 8 . 1 1 92 92 SER N N 92 118.146 118.146 120.197 -2.051 25919 5011 1 8 . 1 1 92 92 SER HA H 92 4.549 4.549 4.440 0.109 25919 5012 1 8 . 1 1 92 92 SER CA C 92 57.813 57.813 58.036 -0.223 25919 5013 1 8 . 1 1 92 92 SER CB C 92 63.488 63.488 63.219 0.269 25919 5014 1 8 . 1 1 92 92 SER H H 92 8.470 8.470 8.635 -0.165 25919 5015 1 8 . 1 1 93 93 THR N N 93 119.747 119.747 120.071 -0.324 25919 5016 1 8 . 1 1 93 93 THR HA H 93 4.467 4.467 4.297 0.170 25919 5017 1 8 . 1 1 93 93 THR CA C 93 61.005 61.005 62.665 -1.660 25919 5018 1 8 . 1 1 93 93 THR CB C 93 70.592 70.592 68.361 2.231 25919 5019 1 8 . 1 1 93 93 THR H H 93 7.382 7.382 7.734 -0.352 25919 5020 1 8 . 1 1 94 94 PRO HA H 94 4.424 4.424 4.458 -0.034 25919 5021 1 8 . 1 1 94 94 PRO CA C 94 63.060 63.060 63.369 -0.309 25919 5022 1 8 . 1 1 94 94 PRO CB C 94 32.798 32.798 32.162 0.636 25919 5023 1 8 . 1 1 95 95 ILE N N 95 124.894 124.894 124.786 0.108 25919 5024 1 8 . 1 1 95 95 ILE HA H 95 3.984 3.984 3.866 0.118 25919 5025 1 8 . 1 1 95 95 ILE CA C 95 63.963 63.963 62.385 1.578 25919 5026 1 8 . 1 1 95 95 ILE CB C 95 38.200 38.200 38.248 -0.048 25919 5027 1 8 . 1 1 95 95 ILE H H 95 9.358 9.358 8.775 0.583 25919 5028 1 8 . 1 1 96 96 SER N N 96 117.523 117.523 115.998 1.525 25919 5029 1 8 . 1 1 96 96 SER HA H 96 4.004 4.004 4.140 -0.136 25919 5030 1 8 . 1 1 96 96 SER CA C 96 61.700 61.700 61.902 -0.202 25919 5031 1 8 . 1 1 96 96 SER CB C 96 61.400 61.400 62.808 -1.408 25919 5032 1 8 . 1 1 96 96 SER H H 96 8.202 8.202 7.916 0.286 25919 5033 1 8 . 1 1 97 97 GLU N N 97 123.657 123.657 122.915 0.742 25919 5034 1 8 . 1 1 97 97 GLU HA H 97 4.282 4.282 4.196 0.086 25919 5035 1 8 . 1 1 97 97 GLU CA C 97 58.700 58.700 58.993 -0.293 25919 5036 1 8 . 1 1 97 97 GLU CB C 97 29.800 29.800 29.667 0.133 25919 5037 1 8 . 1 1 97 97 GLU H H 97 7.301 7.301 7.690 -0.389 25919 5038 1 8 . 1 1 98 98 VAL N N 98 121.907 121.907 120.162 1.745 25919 5039 1 8 . 1 1 98 98 VAL HA H 98 3.797 3.797 3.706 0.091 25919 5040 1 8 . 1 1 98 98 VAL CA C 98 65.949 65.949 66.975 -1.026 25919 5041 1 8 . 1 1 98 98 VAL CB C 98 32.186 32.186 31.509 0.677 25919 5042 1 8 . 1 1 98 98 VAL H H 98 7.410 7.410 8.129 -0.719 25919 5043 1 8 . 1 1 99 99 TYR N N 99 119.526 119.526 121.133 -1.607 25919 5044 1 8 . 1 1 99 99 TYR HA H 99 4.016 4.016 4.049 -0.033 25919 5045 1 8 . 1 1 99 99 TYR C C 99 175.741 175.741 177.261 -1.520 25919 5046 1 8 . 1 1 99 99 TYR CA C 99 62.229 62.229 61.510 0.719 25919 5047 1 8 . 1 1 99 99 TYR CB C 99 38.967 38.967 38.659 0.308 25919 5048 1 8 . 1 1 99 99 TYR H H 99 9.071 9.071 8.320 0.751 25919 5049 1 8 . 1 1 100 100 GLU N N 100 114.405 114.405 117.383 -2.978 25919 5050 1 8 . 1 1 100 100 GLU HA H 100 3.850 3.850 3.909 -0.059 25919 5051 1 8 . 1 1 100 100 GLU C C 100 178.094 178.094 179.196 -1.102 25919 5052 1 8 . 1 1 100 100 GLU CA C 100 58.920 58.920 58.243 0.677 25919 5053 1 8 . 1 1 100 100 GLU CB C 100 29.481 29.481 29.671 -0.190 25919 5054 1 8 . 1 1 100 100 GLU H H 100 7.342 7.342 7.982 -0.640 25919 5055 1 8 . 1 1 101 101 SER N N 101 109.656 109.656 114.566 -4.910 25919 5056 1 8 . 1 1 101 101 SER HA H 101 4.529 4.529 4.307 0.222 25919 5057 1 8 . 1 1 101 101 SER C C 101 176.681 176.681 175.972 0.709 25919 5058 1 8 . 1 1 101 101 SER CA C 101 60.313 60.313 60.607 -0.294 25919 5059 1 8 . 1 1 101 101 SER CB C 101 64.703 64.703 63.400 1.303 25919 5060 1 8 . 1 1 101 101 SER H H 101 7.410 7.410 8.001 -0.591 25919 5061 1 8 . 1 1 102 102 GLU N N 102 117.283 117.283 118.607 -1.324 25919 5062 1 8 . 1 1 102 102 GLU HA H 102 4.721 4.721 4.661 0.060 25919 5063 1 8 . 1 1 102 102 GLU CA C 102 55.592 55.592 54.488 1.104 25919 5064 1 8 . 1 1 102 102 GLU CB C 102 30.564 30.564 29.789 0.775 25919 5065 1 8 . 1 1 102 102 GLU H H 102 8.500 8.500 7.925 0.575 25919 5066 1 8 . 1 1 103 103 LYS N N 103 118.772 118.772 120.623 -1.851 25919 5067 1 8 . 1 1 103 103 LYS HA H 103 4.179 4.179 4.013 0.166 25919 5068 1 8 . 1 1 103 103 LYS C C 103 175.032 175.032 176.365 -1.333 25919 5069 1 8 . 1 1 103 103 LYS CA C 103 57.154 57.154 57.310 -0.156 25919 5070 1 8 . 1 1 103 103 LYS CB C 103 32.238 32.238 32.504 -0.266 25919 5071 1 8 . 1 1 103 103 LYS H H 103 7.777 7.777 7.413 0.364 25919 5072 1 8 . 1 1 104 104 ASP N N 104 124.024 124.024 126.452 -2.428 25919 5073 1 8 . 1 1 104 104 ASP HA H 104 5.032 5.032 4.624 0.408 25919 5074 1 8 . 1 1 104 104 ASP C C 104 177.548 177.548 176.483 1.065 25919 5075 1 8 . 1 1 104 104 ASP CA C 104 53.882 53.882 52.510 1.372 25919 5076 1 8 . 1 1 104 104 ASP CB C 104 43.420 43.420 42.633 0.787 25919 5077 1 8 . 1 1 104 104 ASP H H 104 9.030 9.030 8.545 0.485 25919 5078 1 8 . 1 1 105 105 GLU N N 105 125.669 125.669 121.826 3.843 25919 5079 1 8 . 1 1 105 105 GLU HA H 105 4.179 4.179 3.837 0.342 25919 5080 1 8 . 1 1 105 105 GLU CA C 105 59.526 59.526 59.267 0.259 25919 5081 1 8 . 1 1 105 105 GLU CB C 105 30.036 30.036 29.761 0.275 25919 5082 1 8 . 1 1 105 105 GLU H H 105 8.894 8.894 8.595 0.299 25919 5083 1 8 . 1 1 106 106 ASP N N 106 119.257 119.257 117.692 1.565 25919 5084 1 8 . 1 1 106 106 ASP HA H 106 4.180 4.180 4.580 -0.400 25919 5085 1 8 . 1 1 106 106 ASP C C 106 176.018 176.018 176.492 -0.474 25919 5086 1 8 . 1 1 106 106 ASP CA C 106 54.750 54.750 54.322 0.428 25919 5087 1 8 . 1 1 106 106 ASP CB C 106 40.250 40.250 41.441 -1.190 25919 5088 1 8 . 1 1 106 106 ASP H H 106 9.838 9.838 8.390 1.448 25919 5089 1 8 . 1 1 107 107 GLY N N 107 106.307 106.307 106.809 -0.502 25919 5090 1 8 . 1 1 107 107 GLY CA C 107 45.125 45.125 44.737 0.388 25919 5091 1 8 . 1 1 107 107 GLY H H 107 7.945 7.945 7.815 0.130 25919 5092 1 8 . 1 1 108 108 PHE N N 108 124.389 124.389 116.764 7.625 25919 5093 1 8 . 1 1 108 108 PHE HA H 108 4.670 4.670 5.444 -0.774 25919 5094 1 8 . 1 1 108 108 PHE C C 108 179.501 179.501 173.082 6.419 25919 5095 1 8 . 1 1 108 108 PHE CA C 108 60.288 60.288 55.169 5.119 25919 5096 1 8 . 1 1 108 108 PHE CB C 108 40.506 40.506 41.997 -1.491 25919 5097 1 8 . 1 1 108 108 PHE H H 108 9.739 9.739 7.470 2.269 25919 5098 1 8 . 1 1 109 109 LEU N N 109 120.814 120.814 122.808 -1.994 25919 5099 1 8 . 1 1 109 109 LEU HA H 109 5.038 5.038 4.797 0.241 25919 5100 1 8 . 1 1 109 109 LEU CA C 109 53.479 53.479 53.877 -0.398 25919 5101 1 8 . 1 1 109 109 LEU CB C 109 45.197 45.197 44.215 0.982 25919 5102 1 8 . 1 1 109 109 LEU H H 109 7.968 7.968 8.932 -0.964 25919 5103 1 8 . 1 1 110 110 TYR N N 110 127.403 127.403 129.338 -1.935 25919 5104 1 8 . 1 1 110 110 TYR HA H 110 4.907 4.907 5.465 -0.558 25919 5105 1 8 . 1 1 110 110 TYR CA C 110 59.259 59.259 55.937 3.322 25919 5106 1 8 . 1 1 110 110 TYR CB C 110 39.469 39.469 41.917 -2.448 25919 5107 1 8 . 1 1 110 110 TYR H H 110 9.349 9.349 8.200 1.149 25919 5108 1 8 . 1 1 111 111 MET N N 111 120.344 120.344 125.171 -4.827 25919 5109 1 8 . 1 1 111 111 MET HA H 111 5.543 5.543 5.040 0.503 25919 5110 1 8 . 1 1 111 111 MET CA C 111 54.341 54.341 53.916 0.425 25919 5111 1 8 . 1 1 111 111 MET CB C 111 36.894 36.894 37.078 -0.184 25919 5112 1 8 . 1 1 111 111 MET H H 111 9.575 9.575 8.924 0.651 25919 5113 1 8 . 1 1 112 112 VAL N N 112 121.026 121.026 116.583 4.443 25919 5114 1 8 . 1 1 112 112 VAL HA H 112 5.938 5.938 4.932 1.006 25919 5115 1 8 . 1 1 112 112 VAL C C 112 176.696 176.696 173.537 3.159 25919 5116 1 8 . 1 1 112 112 VAL CA C 112 59.068 59.068 59.362 -0.294 25919 5117 1 8 . 1 1 112 112 VAL CB C 112 36.180 36.180 35.084 1.096 25919 5118 1 8 . 1 1 112 112 VAL H H 112 8.730 8.730 8.788 -0.058 25919 5119 1 8 . 1 1 113 113 TYR N N 113 119.995 119.995 126.316 -6.321 25919 5120 1 8 . 1 1 113 113 TYR HA H 113 6.143 6.143 5.746 0.397 25919 5121 1 8 . 1 1 113 113 TYR C C 113 173.533 173.533 173.476 0.057 25919 5122 1 8 . 1 1 113 113 TYR CA C 113 54.165 54.165 55.157 -0.992 25919 5123 1 8 . 1 1 113 113 TYR CB C 113 43.667 43.667 41.415 2.252 25919 5124 1 8 . 1 1 113 113 TYR H H 113 8.172 8.172 9.241 -1.069 25919 5125 1 8 . 1 1 114 114 ALA N N 114 120.454 120.454 130.146 -9.692 25919 5126 1 8 . 1 1 114 114 ALA HA H 114 4.750 4.750 5.003 -0.253 25919 5127 1 8 . 1 1 114 114 ALA C C 114 176.007 176.007 175.702 0.305 25919 5128 1 8 . 1 1 114 114 ALA CA C 114 51.356 51.356 50.837 0.518 25919 5129 1 8 . 1 1 114 114 ALA CB C 114 24.623 24.623 22.172 2.451 25919 5130 1 8 . 1 1 114 114 ALA H H 114 8.499 8.499 9.092 -0.593 25919 5131 1 8 . 1 1 115 115 SER N N 115 115.279 115.279 115.299 -0.020 25919 5132 1 8 . 1 1 115 115 SER HA H 115 4.505 4.505 4.769 -0.264 25919 5133 1 8 . 1 1 115 115 SER C C 115 172.860 172.860 175.304 -2.444 25919 5134 1 8 . 1 1 115 115 SER CA C 115 58.837 58.837 60.037 -1.200 25919 5135 1 8 . 1 1 115 115 SER CB C 115 63.798 63.798 63.728 0.070 25919 5136 1 8 . 1 1 115 115 SER H H 115 9.823 9.823 9.268 0.555 25919 5137 1 8 . 1 1 116 116 GLN N N 116 117.398 117.398 119.275 -1.877 25919 5138 1 8 . 1 1 116 116 GLN HA H 116 4.453 4.453 4.475 -0.022 25919 5139 1 8 . 1 1 116 116 GLN C C 116 173.181 173.181 175.663 -2.482 25919 5140 1 8 . 1 1 116 116 GLN CA C 116 54.024 54.024 55.059 -1.035 25919 5141 1 8 . 1 1 116 116 GLN CB C 116 32.179 32.179 29.855 2.324 25919 5142 1 8 . 1 1 116 116 GLN H H 116 7.165 7.165 7.656 -0.491 25919 5143 1 8 . 1 1 117 117 GLU N N 117 118.885 118.885 120.013 -1.128 25919 5144 1 8 . 1 1 117 117 GLU HA H 117 3.224 3.224 3.227 -0.003 25919 5145 1 8 . 1 1 117 117 GLU C C 117 175.451 175.451 176.030 -0.579 25919 5146 1 8 . 1 1 117 117 GLU CA C 117 56.917 56.917 57.189 -0.272 25919 5147 1 8 . 1 1 117 117 GLU CB C 117 30.206 30.206 29.018 1.188 25919 5148 1 8 . 1 1 117 117 GLU H H 117 7.873 7.873 8.338 -0.465 25919 5149 1 8 . 1 1 118 118 THR N N 118 110.883 110.883 108.709 2.174 25919 5150 1 8 . 1 1 118 118 THR HA H 118 4.074 4.074 4.327 -0.253 25919 5151 1 8 . 1 1 118 118 THR C C 118 173.234 173.234 172.479 0.755 25919 5152 1 8 . 1 1 118 118 THR CA C 118 60.300 60.300 61.528 -1.228 25919 5153 1 8 . 1 1 118 118 THR CB C 118 70.118 70.118 70.118 -0.000 25919 5154 1 8 . 1 1 118 118 THR H H 118 6.988 6.988 7.288 -0.300 25919 5155 1 8 . 1 1 119 119 PHE N N 119 122.773 122.773 124.268 -1.495 25919 5156 1 8 . 1 1 119 119 PHE HA H 119 4.397 4.397 5.127 -0.730 25919 5157 1 8 . 1 1 119 119 PHE C C 119 175.045 175.045 174.395 0.650 25919 5158 1 8 . 1 1 119 119 PHE CA C 119 56.810 56.810 58.013 -1.202 25919 5159 1 8 . 1 1 119 119 PHE CB C 119 39.349 39.349 40.748 -1.399 25919 5160 1 8 . 1 1 119 119 PHE H H 119 8.122 8.122 8.828 -0.706 25919 5161 1 9 . 1 1 2 2 PRO HA H 2 4.424 4.424 4.570 -0.146 25919 5162 1 9 . 1 1 2 2 PRO C C 2 176.917 176.917 176.380 0.537 25919 5163 1 9 . 1 1 2 2 PRO CA C 2 63.418 63.418 63.120 0.298 25919 5164 1 9 . 1 1 2 2 PRO CB C 2 32.160 32.160 32.129 0.031 25919 5165 1 9 . 1 1 3 3 SER N N 3 116.273 116.273 114.903 1.370 25919 5166 1 9 . 1 1 3 3 SER HA H 3 4.389 4.389 4.568 -0.179 25919 5167 1 9 . 1 1 3 3 SER C C 3 174.762 174.762 175.140 -0.378 25919 5168 1 9 . 1 1 3 3 SER CA C 3 58.472 58.472 59.154 -0.682 25919 5169 1 9 . 1 1 3 3 SER CB C 3 63.913 63.913 63.108 0.805 25919 5170 1 9 . 1 1 3 3 SER H H 3 8.366 8.366 7.901 0.465 25919 5171 1 9 . 1 1 4 4 GLU N N 4 123.959 123.959 126.515 -2.556 25919 5172 1 9 . 1 1 4 4 GLU HA H 4 4.289 4.289 3.843 0.446 25919 5173 1 9 . 1 1 4 4 GLU C C 4 176.545 176.545 175.781 0.764 25919 5174 1 9 . 1 1 4 4 GLU CA C 4 56.785 56.785 59.225 -2.440 25919 5175 1 9 . 1 1 4 4 GLU CB C 4 30.200 30.200 29.186 1.014 25919 5176 1 9 . 1 1 4 4 GLU H H 4 8.513 8.513 9.434 -0.921 25919 5177 1 9 . 1 1 5 5 LYS N N 5 122.165 122.165 119.613 2.552 25919 5178 1 9 . 1 1 5 5 LYS HA H 5 4.508 4.508 4.334 0.174 25919 5179 1 9 . 1 1 5 5 LYS C C 5 177.178 177.178 176.239 0.939 25919 5180 1 9 . 1 1 5 5 LYS CA C 5 56.000 56.000 56.264 -0.264 25919 5181 1 9 . 1 1 5 5 LYS CB C 5 34.758 34.758 33.062 1.696 25919 5182 1 9 . 1 1 5 5 LYS H H 5 8.198 8.198 8.174 0.024 25919 5183 1 9 . 1 1 6 6 THR N N 6 115.586 115.586 114.683 0.903 25919 5184 1 9 . 1 1 6 6 THR HA H 6 4.426 4.426 4.415 0.011 25919 5185 1 9 . 1 1 6 6 THR C C 6 175.570 175.570 175.679 -0.109 25919 5186 1 9 . 1 1 6 6 THR CA C 6 61.120 61.120 63.197 -2.078 25919 5187 1 9 . 1 1 6 6 THR CB C 6 69.871 69.871 69.485 0.386 25919 5188 1 9 . 1 1 6 6 THR H H 6 8.423 8.423 7.957 0.466 25919 5189 1 9 . 1 1 7 7 PHE N N 7 126.100 126.100 122.727 3.373 25919 5190 1 9 . 1 1 7 7 PHE HA H 7 3.935 3.935 4.330 -0.395 25919 5191 1 9 . 1 1 7 7 PHE CA C 7 63.687 63.687 60.385 3.302 25919 5192 1 9 . 1 1 7 7 PHE CB C 7 39.656 39.656 38.593 1.063 25919 5193 1 9 . 1 1 7 7 PHE H H 7 10.276 10.276 9.563 0.713 25919 5194 1 9 . 1 1 8 8 LYS N N 8 115.026 115.026 120.189 -5.163 25919 5195 1 9 . 1 1 8 8 LYS HA H 8 3.800 3.800 3.393 0.407 25919 5196 1 9 . 1 1 8 8 LYS CA C 8 59.944 59.944 57.103 2.841 25919 5197 1 9 . 1 1 8 8 LYS CB C 8 33.852 33.852 31.230 2.623 25919 5198 1 9 . 1 1 8 8 LYS H H 8 8.707 8.707 7.458 1.249 25919 5199 1 9 . 1 1 9 9 GLN N N 9 113.774 113.774 117.837 -4.063 25919 5200 1 9 . 1 1 9 9 GLN HA H 9 4.178 4.178 4.056 0.122 25919 5201 1 9 . 1 1 9 9 GLN C C 9 173.193 173.193 176.950 -3.757 25919 5202 1 9 . 1 1 9 9 GLN CA C 9 56.741 56.741 57.987 -1.246 25919 5203 1 9 . 1 1 9 9 GLN CB C 9 30.065 30.065 28.798 1.267 25919 5204 1 9 . 1 1 9 9 GLN H H 9 7.343 7.343 7.621 -0.278 25919 5205 1 9 . 1 1 10 10 ARG N N 10 119.156 119.156 118.080 1.076 25919 5206 1 9 . 1 1 10 10 ARG HA H 10 4.248 4.248 4.358 -0.110 25919 5207 1 9 . 1 1 10 10 ARG CA C 10 57.555 57.555 56.761 0.794 25919 5208 1 9 . 1 1 10 10 ARG CB C 10 31.771 31.771 32.179 -0.408 25919 5209 1 9 . 1 1 10 10 ARG H H 10 7.912 7.912 7.699 0.213 25919 5210 1 9 . 1 1 11 11 ARG N N 11 120.777 120.777 118.639 2.138 25919 5211 1 9 . 1 1 11 11 ARG HA H 11 4.685 4.685 4.721 -0.036 25919 5212 1 9 . 1 1 11 11 ARG CA C 11 53.161 53.161 55.351 -2.190 25919 5213 1 9 . 1 1 11 11 ARG CB C 11 32.773 32.773 32.865 -0.092 25919 5214 1 9 . 1 1 11 11 ARG H H 11 7.341 7.341 8.180 -0.839 25919 5215 1 9 . 1 1 12 12 THR N N 12 116.696 116.696 114.167 2.529 25919 5216 1 9 . 1 1 12 12 THR HA H 12 4.358 4.358 4.601 -0.243 25919 5217 1 9 . 1 1 12 12 THR C C 12 175.056 175.056 175.518 -0.462 25919 5218 1 9 . 1 1 12 12 THR CA C 12 61.795 61.795 59.853 1.942 25919 5219 1 9 . 1 1 12 12 THR CB C 12 71.050 71.050 70.534 0.516 25919 5220 1 9 . 1 1 12 12 THR H H 12 8.855 8.855 8.295 0.560 25919 5221 1 9 . 1 1 13 13 PHE N N 13 123.894 123.894 120.969 2.925 25919 5222 1 9 . 1 1 13 13 PHE HA H 13 4.043 4.043 4.038 0.005 25919 5223 1 9 . 1 1 13 13 PHE C C 13 176.234 176.234 177.429 -1.195 25919 5224 1 9 . 1 1 13 13 PHE CA C 13 62.947 62.947 63.391 -0.444 25919 5225 1 9 . 1 1 13 13 PHE CB C 13 39.571 39.571 38.472 1.099 25919 5226 1 9 . 1 1 13 13 PHE H H 13 9.221 9.221 8.748 0.473 25919 5227 1 9 . 1 1 14 14 GLU N N 14 116.516 116.516 117.038 -0.522 25919 5228 1 9 . 1 1 14 14 GLU HA H 14 3.812 3.812 4.174 -0.362 25919 5229 1 9 . 1 1 14 14 GLU CA C 14 60.699 60.699 59.970 0.729 25919 5230 1 9 . 1 1 14 14 GLU CB C 14 28.943 28.943 28.730 0.213 25919 5231 1 9 . 1 1 14 14 GLU H H 14 9.002 9.002 8.963 0.039 25919 5232 1 9 . 1 1 15 15 GLN N N 15 119.291 119.291 118.364 0.927 25919 5233 1 9 . 1 1 15 15 GLN HA H 15 4.024 4.024 4.216 -0.192 25919 5234 1 9 . 1 1 15 15 GLN C C 15 175.263 175.263 178.924 -3.661 25919 5235 1 9 . 1 1 15 15 GLN CA C 15 58.800 58.800 58.396 0.404 25919 5236 1 9 . 1 1 15 15 GLN CB C 15 29.300 29.300 28.388 0.912 25919 5237 1 9 . 1 1 15 15 GLN H H 15 7.706 7.706 7.894 -0.188 25919 5238 1 9 . 1 1 16 16 ARG N N 16 122.883 122.883 120.497 2.386 25919 5239 1 9 . 1 1 16 16 ARG HA H 16 4.235 4.235 4.291 -0.056 25919 5240 1 9 . 1 1 16 16 ARG CA C 16 61.660 61.660 60.100 1.560 25919 5241 1 9 . 1 1 16 16 ARG CB C 16 30.877 30.877 30.513 0.364 25919 5242 1 9 . 1 1 16 16 ARG H H 16 8.567 8.567 8.478 0.089 25919 5243 1 9 . 1 1 17 17 VAL N N 17 118.523 118.523 120.381 -1.858 25919 5244 1 9 . 1 1 17 17 VAL HA H 17 3.865 3.865 3.898 -0.033 25919 5245 1 9 . 1 1 17 17 VAL C C 17 174.213 174.213 178.339 -4.126 25919 5246 1 9 . 1 1 17 17 VAL CA C 17 65.550 65.550 66.333 -0.783 25919 5247 1 9 . 1 1 17 17 VAL CB C 17 32.171 32.171 31.516 0.655 25919 5248 1 9 . 1 1 17 17 VAL H H 17 8.430 8.430 8.850 -0.420 25919 5249 1 9 . 1 1 18 18 GLU N N 18 120.170 120.170 120.790 -0.620 25919 5250 1 9 . 1 1 18 18 GLU HA H 18 4.212 4.212 3.944 0.268 25919 5251 1 9 . 1 1 18 18 GLU C C 18 175.758 175.758 178.892 -3.134 25919 5252 1 9 . 1 1 18 18 GLU CA C 18 58.488 58.488 60.097 -1.609 25919 5253 1 9 . 1 1 18 18 GLU CB C 18 29.360 29.360 29.365 -0.005 25919 5254 1 9 . 1 1 18 18 GLU H H 18 7.423 7.423 8.101 -0.678 25919 5255 1 9 . 1 1 19 19 ASP N N 19 121.273 121.273 120.447 0.826 25919 5256 1 9 . 1 1 19 19 ASP HA H 19 4.384 4.384 4.404 -0.020 25919 5257 1 9 . 1 1 19 19 ASP C C 19 177.016 177.016 178.808 -1.792 25919 5258 1 9 . 1 1 19 19 ASP CA C 19 56.900 56.900 57.573 -0.673 25919 5259 1 9 . 1 1 19 19 ASP CB C 19 41.884 41.884 40.480 1.404 25919 5260 1 9 . 1 1 19 19 ASP H H 19 7.955 7.955 8.411 -0.456 25919 5261 1 9 . 1 1 20 20 VAL N N 20 119.523 119.523 119.876 -0.353 25919 5262 1 9 . 1 1 20 20 VAL HA H 20 3.232 3.232 3.373 -0.141 25919 5263 1 9 . 1 1 20 20 VAL C C 20 173.876 173.876 177.700 -3.824 25919 5264 1 9 . 1 1 20 20 VAL CA C 20 66.128 66.128 66.743 -0.615 25919 5265 1 9 . 1 1 20 20 VAL CB C 20 31.099 31.099 31.390 -0.291 25919 5266 1 9 . 1 1 20 20 VAL H H 20 7.818 7.818 8.401 -0.583 25919 5267 1 9 . 1 1 21 21 ARG N N 21 120.310 120.310 119.959 0.351 25919 5268 1 9 . 1 1 21 21 ARG HA H 21 3.803 3.803 3.978 -0.175 25919 5269 1 9 . 1 1 21 21 ARG CA C 21 59.934 59.934 59.804 0.130 25919 5270 1 9 . 1 1 21 21 ARG CB C 21 30.076 30.076 30.090 -0.014 25919 5271 1 9 . 1 1 21 21 ARG H H 21 8.037 8.037 8.159 -0.122 25919 5272 1 9 . 1 1 22 22 LEU N N 22 118.660 118.660 120.681 -2.021 25919 5273 1 9 . 1 1 22 22 LEU HA H 22 4.094 4.094 4.002 0.092 25919 5274 1 9 . 1 1 22 22 LEU C C 22 177.626 177.626 179.199 -1.573 25919 5275 1 9 . 1 1 22 22 LEU CA C 22 57.738 57.738 58.081 -0.343 25919 5276 1 9 . 1 1 22 22 LEU CB C 22 42.222 42.222 41.901 0.321 25919 5277 1 9 . 1 1 22 22 LEU H H 22 8.050 8.050 8.400 -0.350 25919 5278 1 9 . 1 1 23 23 ILE N N 23 122.825 122.825 119.347 3.478 25919 5279 1 9 . 1 1 23 23 ILE HA H 23 4.122 4.122 3.716 0.406 25919 5280 1 9 . 1 1 23 23 ILE C C 23 176.226 176.226 177.672 -1.446 25919 5281 1 9 . 1 1 23 23 ILE CA C 23 61.243 61.243 64.216 -2.973 25919 5282 1 9 . 1 1 23 23 ILE CB C 23 38.268 38.268 37.481 0.787 25919 5283 1 9 . 1 1 23 23 ILE H H 23 8.390 8.390 8.346 0.044 25919 5284 1 9 . 1 1 24 24 ARG N N 24 122.365 122.365 120.618 1.747 25919 5285 1 9 . 1 1 24 24 ARG HA H 24 4.017 4.017 3.990 0.027 25919 5286 1 9 . 1 1 24 24 ARG CA C 24 57.684 57.684 58.376 -0.692 25919 5287 1 9 . 1 1 24 24 ARG CB C 24 28.817 28.817 29.668 -0.851 25919 5288 1 9 . 1 1 24 24 ARG H H 24 8.540 8.540 8.509 0.031 25919 5289 1 9 . 1 1 25 25 GLU N N 25 118.383 118.383 117.992 0.391 25919 5290 1 9 . 1 1 25 25 GLU HA H 25 4.044 4.044 4.126 -0.082 25919 5291 1 9 . 1 1 25 25 GLU CA C 25 58.680 58.680 58.216 0.464 25919 5292 1 9 . 1 1 25 25 GLU CB C 25 29.850 29.850 29.563 0.287 25919 5293 1 9 . 1 1 25 25 GLU H H 25 7.287 7.287 7.653 -0.366 25919 5294 1 9 . 1 1 26 26 GLN N N 26 117.165 117.165 117.513 -0.348 25919 5295 1 9 . 1 1 26 26 GLN HA H 26 3.948 3.948 3.959 -0.011 25919 5296 1 9 . 1 1 26 26 GLN C C 26 176.221 176.221 176.985 -0.764 25919 5297 1 9 . 1 1 26 26 GLN CA C 26 57.638 57.638 57.958 -0.320 25919 5298 1 9 . 1 1 26 26 GLN CB C 26 30.320 30.320 29.511 0.809 25919 5299 1 9 . 1 1 26 26 GLN H H 26 7.423 7.423 7.976 -0.553 25919 5300 1 9 . 1 1 27 27 HIS N N 27 117.140 117.140 115.278 1.862 25919 5301 1 9 . 1 1 27 27 HIS HA H 27 4.866 4.866 4.977 -0.111 25919 5302 1 9 . 1 1 27 27 HIS CA C 27 53.305 53.305 52.394 0.911 25919 5303 1 9 . 1 1 27 27 HIS CB C 27 30.917 30.917 29.216 1.701 25919 5304 1 9 . 1 1 27 27 HIS H H 27 8.254 8.254 8.224 0.030 25919 5305 1 9 . 1 1 28 28 PRO HA H 28 4.609 4.609 4.314 0.295 25919 5306 1 9 . 1 1 28 28 PRO CA C 28 64.881 64.881 64.704 0.177 25919 5307 1 9 . 1 1 28 28 PRO CB C 28 32.554 32.554 32.011 0.543 25919 5308 1 9 . 1 1 29 29 THR N N 29 107.339 107.339 105.424 1.915 25919 5309 1 9 . 1 1 29 29 THR HA H 29 4.644 4.644 4.147 0.497 25919 5310 1 9 . 1 1 29 29 THR C C 29 172.933 172.933 173.927 -0.994 25919 5311 1 9 . 1 1 29 29 THR CA C 29 60.600 60.600 62.619 -2.019 25919 5312 1 9 . 1 1 29 29 THR CB C 29 68.520 68.520 69.050 -0.530 25919 5313 1 9 . 1 1 29 29 THR H H 29 7.764 7.764 8.260 -0.496 25919 5314 1 9 . 1 1 30 30 LYS N N 30 118.273 118.273 120.681 -2.408 25919 5315 1 9 . 1 1 30 30 LYS HA H 30 4.926 4.926 4.889 0.037 25919 5316 1 9 . 1 1 30 30 LYS C C 30 175.010 175.010 175.652 -0.642 25919 5317 1 9 . 1 1 30 30 LYS CA C 30 53.740 53.740 54.752 -1.012 25919 5318 1 9 . 1 1 30 30 LYS CB C 30 36.445 36.445 35.149 1.296 25919 5319 1 9 . 1 1 30 30 LYS H H 30 7.478 7.478 7.619 -0.141 25919 5320 1 9 . 1 1 31 31 ILE N N 31 123.498 123.498 123.070 0.428 25919 5321 1 9 . 1 1 31 31 ILE HA H 31 4.139 4.139 4.190 -0.051 25919 5322 1 9 . 1 1 31 31 ILE CA C 31 54.669 54.669 56.258 -1.589 25919 5323 1 9 . 1 1 31 31 ILE CB C 31 38.427 38.427 37.313 1.114 25919 5324 1 9 . 1 1 31 31 ILE H H 31 9.235 9.235 8.799 0.436 25919 5325 1 9 . 1 1 32 32 PRO HA H 32 5.212 5.212 4.721 0.491 25919 5326 1 9 . 1 1 32 32 PRO C C 32 174.832 174.832 175.805 -0.973 25919 5327 1 9 . 1 1 32 32 PRO CA C 32 61.678 61.678 62.023 -0.345 25919 5328 1 9 . 1 1 32 32 PRO CB C 32 30.993 30.993 31.704 -0.711 25919 5329 1 9 . 1 1 33 33 VAL N N 33 124.964 124.964 125.150 -0.186 25919 5330 1 9 . 1 1 33 33 VAL HA H 33 5.234 5.234 4.982 0.252 25919 5331 1 9 . 1 1 33 33 VAL CA C 33 59.611 59.611 61.153 -1.542 25919 5332 1 9 . 1 1 33 33 VAL CB C 33 35.711 35.711 35.910 -0.199 25919 5333 1 9 . 1 1 33 33 VAL H H 33 9.289 9.289 9.271 0.018 25919 5334 1 9 . 1 1 34 34 ILE N N 34 127.908 127.908 125.135 2.773 25919 5335 1 9 . 1 1 34 34 ILE HA H 34 4.742 4.742 4.215 0.527 25919 5336 1 9 . 1 1 34 34 ILE CA C 34 56.330 56.330 58.499 -2.169 25919 5337 1 9 . 1 1 34 34 ILE CB C 34 36.629 36.629 38.983 -2.354 25919 5338 1 9 . 1 1 34 34 ILE H H 34 8.594 8.594 8.786 -0.192 25919 5339 1 9 . 1 1 35 35 ILE N N 35 125.405 125.405 126.274 -0.869 25919 5340 1 9 . 1 1 35 35 ILE HA H 35 4.879 4.879 5.001 -0.122 25919 5341 1 9 . 1 1 35 35 ILE C C 35 176.126 176.126 173.889 2.237 25919 5342 1 9 . 1 1 35 35 ILE CA C 35 60.923 60.923 59.349 1.574 25919 5343 1 9 . 1 1 35 35 ILE CB C 35 38.968 38.968 41.606 -2.638 25919 5344 1 9 . 1 1 35 35 ILE H H 35 8.545 8.545 8.638 -0.093 25919 5345 1 9 . 1 1 36 36 GLU N N 36 124.153 124.153 127.082 -2.929 25919 5346 1 9 . 1 1 36 36 GLU HA H 36 4.789 4.789 4.992 -0.203 25919 5347 1 9 . 1 1 36 36 GLU C C 36 173.645 173.645 175.365 -1.720 25919 5348 1 9 . 1 1 36 36 GLU CA C 36 54.282 54.282 54.055 0.227 25919 5349 1 9 . 1 1 36 36 GLU CB C 36 35.401 35.401 34.701 0.700 25919 5350 1 9 . 1 1 36 36 GLU H H 36 8.363 8.363 8.334 0.029 25919 5351 1 9 . 1 1 37 37 ARG N N 37 123.957 123.957 125.260 -1.303 25919 5352 1 9 . 1 1 37 37 ARG HA H 37 2.804 2.804 3.706 -0.902 25919 5353 1 9 . 1 1 37 37 ARG C C 37 176.456 176.456 176.332 0.124 25919 5354 1 9 . 1 1 37 37 ARG CA C 37 56.120 56.120 56.623 -0.503 25919 5355 1 9 . 1 1 37 37 ARG CB C 37 31.500 31.500 30.630 0.870 25919 5356 1 9 . 1 1 37 37 ARG H H 37 8.853 8.853 8.882 -0.029 25919 5357 1 9 . 1 1 38 38 TYR N N 38 129.636 129.636 128.409 1.227 25919 5358 1 9 . 1 1 38 38 TYR HA H 38 4.311 4.311 4.231 0.080 25919 5359 1 9 . 1 1 38 38 TYR CA C 38 57.907 57.907 59.175 -1.268 25919 5360 1 9 . 1 1 38 38 TYR CB C 38 39.567 39.567 39.786 -0.219 25919 5361 1 9 . 1 1 38 38 TYR H H 38 8.663 8.663 8.399 0.264 25919 5362 1 9 . 1 1 39 39 LYS N N 39 130.772 130.772 126.554 4.218 25919 5363 1 9 . 1 1 39 39 LYS HA H 39 3.848 3.848 3.927 -0.079 25919 5364 1 9 . 1 1 39 39 LYS CA C 39 58.986 58.986 57.946 1.040 25919 5365 1 9 . 1 1 39 39 LYS CB C 39 31.777 31.777 32.283 -0.506 25919 5366 1 9 . 1 1 39 39 LYS H H 39 8.389 8.389 8.532 -0.143 25919 5367 1 9 . 1 1 40 40 GLY N N 40 106.013 106.013 102.896 3.117 25919 5368 1 9 . 1 1 40 40 GLY C C 40 173.407 173.407 173.938 -0.531 25919 5369 1 9 . 1 1 40 40 GLY CA C 40 44.796 44.796 44.690 0.106 25919 5370 1 9 . 1 1 40 40 GLY H H 40 5.643 5.643 6.318 -0.675 25919 5371 1 9 . 1 1 41 41 GLU N N 41 123.519 123.519 120.398 3.121 25919 5372 1 9 . 1 1 41 41 GLU HA H 41 4.265 4.265 4.437 -0.172 25919 5373 1 9 . 1 1 41 41 GLU C C 41 176.231 176.231 175.320 0.911 25919 5374 1 9 . 1 1 41 41 GLU CA C 41 56.365 56.365 55.974 0.391 25919 5375 1 9 . 1 1 41 41 GLU CB C 41 31.077 31.077 31.697 -0.620 25919 5376 1 9 . 1 1 41 41 GLU H H 41 7.464 7.464 7.238 0.226 25919 5377 1 9 . 1 1 42 42 LYS N N 42 124.405 124.405 124.551 -0.146 25919 5378 1 9 . 1 1 42 42 LYS HA H 42 4.669 4.669 4.496 0.173 25919 5379 1 9 . 1 1 42 42 LYS C C 42 177.170 177.170 176.920 0.250 25919 5380 1 9 . 1 1 42 42 LYS CA C 42 55.750 55.750 55.646 0.104 25919 5381 1 9 . 1 1 42 42 LYS CB C 42 34.929 34.929 32.215 2.715 25919 5382 1 9 . 1 1 42 42 LYS H H 42 8.895 8.895 8.462 0.433 25919 5383 1 9 . 1 1 43 43 GLN N N 43 119.903 119.903 119.029 0.874 25919 5384 1 9 . 1 1 43 43 GLN HA H 43 4.541 4.541 4.219 0.322 25919 5385 1 9 . 1 1 43 43 GLN C C 43 177.260 177.260 176.522 0.738 25919 5386 1 9 . 1 1 43 43 GLN CA C 43 57.566 57.566 57.087 0.479 25919 5387 1 9 . 1 1 43 43 GLN CB C 43 30.620 30.620 28.947 1.673 25919 5388 1 9 . 1 1 43 43 GLN H H 43 8.459 8.459 7.666 0.793 25919 5389 1 9 . 1 1 44 44 LEU N N 44 121.272 121.272 122.717 -1.445 25919 5390 1 9 . 1 1 44 44 LEU HA H 44 4.726 4.726 4.666 0.060 25919 5391 1 9 . 1 1 44 44 LEU CA C 44 53.165 53.165 53.338 -0.173 25919 5392 1 9 . 1 1 44 44 LEU CB C 44 43.444 43.444 41.524 1.920 25919 5393 1 9 . 1 1 44 44 LEU H H 44 9.002 9.002 8.370 0.632 25919 5394 1 9 . 1 1 45 45 PRO HA H 45 4.722 4.722 4.620 0.102 25919 5395 1 9 . 1 1 45 45 PRO CA C 45 62.169 62.169 63.149 -0.980 25919 5396 1 9 . 1 1 45 45 PRO CB C 45 32.722 32.722 32.702 0.020 25919 5397 1 9 . 1 1 46 46 VAL N N 46 118.403 118.403 122.015 -3.612 25919 5398 1 9 . 1 1 46 46 VAL HA H 46 4.009 4.009 4.359 -0.350 25919 5399 1 9 . 1 1 46 46 VAL C C 46 173.416 173.416 176.040 -2.624 25919 5400 1 9 . 1 1 46 46 VAL CA C 46 62.413 62.413 61.474 0.939 25919 5401 1 9 . 1 1 46 46 VAL CB C 46 33.087 33.087 33.612 -0.525 25919 5402 1 9 . 1 1 46 46 VAL H H 46 8.349 8.349 8.811 -0.462 25919 5403 1 9 . 1 1 47 47 LEU N N 47 128.653 128.653 120.318 8.335 25919 5404 1 9 . 1 1 47 47 LEU HA H 47 4.452 4.452 3.969 0.483 25919 5405 1 9 . 1 1 47 47 LEU CA C 47 54.758 54.758 55.657 -0.899 25919 5406 1 9 . 1 1 47 47 LEU CB C 47 44.076 44.076 39.187 4.889 25919 5407 1 9 . 1 1 47 47 LEU H H 47 8.064 8.064 8.293 -0.229 25919 5408 1 9 . 1 1 48 48 ASP N N 48 121.042 121.042 112.909 8.133 25919 5409 1 9 . 1 1 48 48 ASP HA H 48 4.347 4.347 4.312 0.035 25919 5410 1 9 . 1 1 48 48 ASP CA C 48 55.600 55.600 55.631 -0.031 25919 5411 1 9 . 1 1 48 48 ASP CB C 48 40.407 40.407 39.259 1.148 25919 5412 1 9 . 1 1 48 48 ASP H H 48 8.649 8.649 8.821 -0.172 25919 5413 1 9 . 1 1 49 49 LYS N N 49 118.877 118.877 119.022 -0.145 25919 5414 1 9 . 1 1 49 49 LYS HA H 49 4.541 4.541 4.439 0.102 25919 5415 1 9 . 1 1 49 49 LYS C C 49 179.744 179.744 175.592 4.152 25919 5416 1 9 . 1 1 49 49 LYS CA C 49 54.099 54.099 55.475 -1.376 25919 5417 1 9 . 1 1 49 49 LYS CB C 49 35.378 35.378 34.339 1.040 25919 5418 1 9 . 1 1 49 49 LYS H H 49 7.287 7.287 7.582 -0.295 25919 5419 1 9 . 1 1 50 50 THR N N 50 114.691 114.691 112.843 1.848 25919 5420 1 9 . 1 1 50 50 THR HA H 50 4.628 4.628 4.655 -0.027 25919 5421 1 9 . 1 1 50 50 THR CA C 50 63.920 63.920 61.970 1.950 25919 5422 1 9 . 1 1 50 50 THR CB C 50 71.365 71.365 71.096 0.269 25919 5423 1 9 . 1 1 50 50 THR H H 50 8.064 8.064 8.267 -0.203 25919 5424 1 9 . 1 1 51 51 LYS N N 51 120.273 120.273 121.272 -0.999 25919 5425 1 9 . 1 1 51 51 LYS HA H 51 4.570 4.570 4.754 -0.184 25919 5426 1 9 . 1 1 51 51 LYS CA C 51 54.997 54.997 55.116 -0.119 25919 5427 1 9 . 1 1 51 51 LYS CB C 51 32.700 32.700 36.393 -3.693 25919 5428 1 9 . 1 1 51 51 LYS H H 51 7.192 7.192 7.194 -0.002 25919 5429 1 9 . 1 1 52 52 PHE N N 52 121.816 121.816 120.606 1.210 25919 5430 1 9 . 1 1 52 52 PHE HA H 52 5.503 5.503 4.689 0.814 25919 5431 1 9 . 1 1 52 52 PHE CA C 52 56.104 56.104 57.011 -0.907 25919 5432 1 9 . 1 1 52 52 PHE CB C 52 43.188 43.188 43.481 -0.293 25919 5433 1 9 . 1 1 52 52 PHE H H 52 9.466 9.466 9.134 0.332 25919 5434 1 9 . 1 1 53 53 LEU N N 53 120.846 120.846 122.821 -1.975 25919 5435 1 9 . 1 1 53 53 LEU HA H 53 5.135 5.135 5.444 -0.309 25919 5436 1 9 . 1 1 53 53 LEU C C 53 175.042 175.042 176.119 -1.077 25919 5437 1 9 . 1 1 53 53 LEU CA C 53 52.916 52.916 53.713 -0.797 25919 5438 1 9 . 1 1 53 53 LEU CB C 53 45.242 45.242 44.455 0.787 25919 5439 1 9 . 1 1 53 53 LEU H H 53 8.608 8.608 8.584 0.024 25919 5440 1 9 . 1 1 54 54 VAL N N 54 123.773 123.773 124.147 -0.374 25919 5441 1 9 . 1 1 54 54 VAL HA H 54 4.755 4.755 4.509 0.246 25919 5442 1 9 . 1 1 54 54 VAL CA C 54 58.622 58.622 58.800 -0.178 25919 5443 1 9 . 1 1 54 54 VAL CB C 54 35.150 35.150 34.941 0.210 25919 5444 1 9 . 1 1 54 54 VAL H H 54 8.801 8.801 8.693 0.108 25919 5445 1 9 . 1 1 55 55 PRO HA H 55 4.435 4.435 4.788 -0.353 25919 5446 1 9 . 1 1 55 55 PRO C C 55 176.427 176.427 177.963 -1.536 25919 5447 1 9 . 1 1 55 55 PRO CA C 55 64.298 64.298 62.163 2.135 25919 5448 1 9 . 1 1 55 55 PRO CB C 55 32.822 32.822 32.319 0.503 25919 5449 1 9 . 1 1 56 56 ASP N N 56 121.214 121.214 122.866 -1.652 25919 5450 1 9 . 1 1 56 56 ASP HA H 56 3.880 3.880 4.151 -0.271 25919 5451 1 9 . 1 1 56 56 ASP CA C 56 56.742 56.742 57.230 -0.488 25919 5452 1 9 . 1 1 56 56 ASP CB C 56 40.481 40.481 40.005 0.476 25919 5453 1 9 . 1 1 56 56 ASP H H 56 8.336 8.336 8.476 -0.140 25919 5454 1 9 . 1 1 57 57 HIS N N 57 114.277 114.277 115.760 -1.483 25919 5455 1 9 . 1 1 57 57 HIS HA H 57 4.772 4.772 4.390 0.382 25919 5456 1 9 . 1 1 57 57 HIS C C 57 174.806 174.806 175.537 -0.731 25919 5457 1 9 . 1 1 57 57 HIS CA C 57 55.688 55.688 56.621 -0.933 25919 5458 1 9 . 1 1 57 57 HIS CB C 57 30.450 30.450 29.386 1.064 25919 5459 1 9 . 1 1 57 57 HIS H H 57 7.464 7.464 8.046 -0.582 25919 5460 1 9 . 1 1 58 58 VAL N N 58 123.531 123.531 122.749 0.782 25919 5461 1 9 . 1 1 58 58 VAL HA H 58 3.909 3.909 3.864 0.045 25919 5462 1 9 . 1 1 58 58 VAL C C 58 177.148 177.148 175.243 1.905 25919 5463 1 9 . 1 1 58 58 VAL CA C 58 62.900 62.900 62.849 0.051 25919 5464 1 9 . 1 1 58 58 VAL CB C 58 32.320 32.320 31.798 0.522 25919 5465 1 9 . 1 1 58 58 VAL H H 58 7.261 7.261 7.503 -0.242 25919 5466 1 9 . 1 1 59 59 ASN N N 59 124.147 124.147 125.762 -1.615 25919 5467 1 9 . 1 1 59 59 ASN HA H 59 5.174 5.174 4.710 0.464 25919 5468 1 9 . 1 1 59 59 ASN C C 59 175.176 175.176 176.303 -1.127 25919 5469 1 9 . 1 1 59 59 ASN CA C 59 51.374 51.374 54.627 -3.253 25919 5470 1 9 . 1 1 59 59 ASN CB C 59 40.038 40.038 39.047 0.991 25919 5471 1 9 . 1 1 59 59 ASN H H 59 8.819 8.819 8.694 0.125 25919 5472 1 9 . 1 1 60 60 MET N N 60 117.583 117.583 123.382 -5.799 25919 5473 1 9 . 1 1 60 60 MET HA H 60 4.425 4.425 4.175 0.250 25919 5474 1 9 . 1 1 60 60 MET CA C 60 57.271 57.271 58.264 -0.993 25919 5475 1 9 . 1 1 60 60 MET CB C 60 30.063 30.063 32.553 -2.490 25919 5476 1 9 . 1 1 60 60 MET H H 60 8.023 8.023 8.889 -0.866 25919 5477 1 9 . 1 1 61 61 SER N N 61 115.027 115.027 114.327 0.700 25919 5478 1 9 . 1 1 61 61 SER HA H 61 4.138 4.138 4.121 0.017 25919 5479 1 9 . 1 1 61 61 SER C C 61 178.809 178.809 176.288 2.521 25919 5480 1 9 . 1 1 61 61 SER CA C 61 61.553 61.553 61.744 -0.191 25919 5481 1 9 . 1 1 61 61 SER CB C 61 62.581 62.581 62.512 0.069 25919 5482 1 9 . 1 1 61 61 SER H H 61 8.350 8.350 7.916 0.434 25919 5483 1 9 . 1 1 62 62 GLU N N 62 123.657 123.657 123.345 0.312 25919 5484 1 9 . 1 1 62 62 GLU HA H 62 3.979 3.979 4.125 -0.146 25919 5485 1 9 . 1 1 62 62 GLU C C 62 176.456 176.456 178.233 -1.777 25919 5486 1 9 . 1 1 62 62 GLU CA C 62 58.726 58.726 58.398 0.329 25919 5487 1 9 . 1 1 62 62 GLU CB C 62 29.700 29.700 29.269 0.431 25919 5488 1 9 . 1 1 62 62 GLU H H 62 7.994 7.994 7.731 0.263 25919 5489 1 9 . 1 1 63 63 LEU N N 63 121.225 121.225 121.519 -0.294 25919 5490 1 9 . 1 1 63 63 LEU HA H 63 3.949 3.949 3.920 0.029 25919 5491 1 9 . 1 1 63 63 LEU C C 63 178.113 178.113 178.529 -0.416 25919 5492 1 9 . 1 1 63 63 LEU CA C 63 57.860 57.860 58.179 -0.319 25919 5493 1 9 . 1 1 63 63 LEU CB C 63 41.526 41.526 41.745 -0.219 25919 5494 1 9 . 1 1 63 63 LEU H H 63 8.223 8.223 8.249 -0.026 25919 5495 1 9 . 1 1 64 64 ILE N N 64 119.273 119.273 118.837 0.436 25919 5496 1 9 . 1 1 64 64 ILE HA H 64 3.375 3.375 3.539 -0.164 25919 5497 1 9 . 1 1 64 64 ILE CA C 64 66.723 66.723 65.855 0.868 25919 5498 1 9 . 1 1 64 64 ILE CB C 64 38.161 38.161 37.578 0.583 25919 5499 1 9 . 1 1 64 64 ILE H H 64 8.301 8.301 8.127 0.174 25919 5500 1 9 . 1 1 65 65 LYS N N 65 119.143 119.143 120.448 -1.305 25919 5501 1 9 . 1 1 65 65 LYS HA H 65 3.703 3.703 3.937 -0.234 25919 5502 1 9 . 1 1 65 65 LYS C C 65 173.869 173.869 178.990 -5.121 25919 5503 1 9 . 1 1 65 65 LYS CA C 65 60.451 60.451 59.772 0.679 25919 5504 1 9 . 1 1 65 65 LYS CB C 65 32.300 32.300 32.438 -0.138 25919 5505 1 9 . 1 1 65 65 LYS H H 65 7.300 7.300 7.920 -0.620 25919 5506 1 9 . 1 1 66 66 ILE N N 66 120.527 120.527 120.862 -0.335 25919 5507 1 9 . 1 1 66 66 ILE HA H 66 3.541 3.541 3.711 -0.170 25919 5508 1 9 . 1 1 66 66 ILE C C 66 176.459 176.459 177.625 -1.166 25919 5509 1 9 . 1 1 66 66 ILE CA C 66 65.290 65.290 64.148 1.142 25919 5510 1 9 . 1 1 66 66 ILE CB C 66 38.254 38.254 37.470 0.784 25919 5511 1 9 . 1 1 66 66 ILE H H 66 8.048 8.048 7.896 0.151 25919 5512 1 9 . 1 1 67 67 ILE N N 67 121.527 121.527 121.688 -0.161 25919 5513 1 9 . 1 1 67 67 ILE HA H 67 3.336 3.336 3.556 -0.220 25919 5514 1 9 . 1 1 67 67 ILE C C 67 178.102 178.102 177.686 0.416 25919 5515 1 9 . 1 1 67 67 ILE CA C 67 63.952 63.952 65.404 -1.452 25919 5516 1 9 . 1 1 67 67 ILE CB C 67 35.891 35.891 37.330 -1.438 25919 5517 1 9 . 1 1 67 67 ILE H H 67 8.308 8.308 7.864 0.444 25919 5518 1 9 . 1 1 68 68 ARG N N 68 119.384 119.384 119.497 -0.113 25919 5519 1 9 . 1 1 68 68 ARG HA H 68 2.970 2.970 3.382 -0.412 25919 5520 1 9 . 1 1 68 68 ARG C C 68 172.723 172.723 178.049 -5.326 25919 5521 1 9 . 1 1 68 68 ARG CA C 68 60.704 60.704 58.382 2.322 25919 5522 1 9 . 1 1 68 68 ARG CB C 68 30.320 30.320 29.633 0.687 25919 5523 1 9 . 1 1 68 68 ARG H H 68 8.336 8.336 8.348 -0.012 25919 5524 1 9 . 1 1 69 69 ARG N N 69 117.648 117.648 117.420 0.228 25919 5525 1 9 . 1 1 69 69 ARG HA H 69 4.138 4.138 4.164 -0.026 25919 5526 1 9 . 1 1 69 69 ARG C C 69 172.480 172.480 178.505 -6.025 25919 5527 1 9 . 1 1 69 69 ARG CA C 69 58.645 58.645 57.180 1.465 25919 5528 1 9 . 1 1 69 69 ARG CB C 69 29.779 29.779 29.715 0.064 25919 5529 1 9 . 1 1 69 69 ARG H H 69 7.432 7.432 7.931 -0.499 25919 5530 1 9 . 1 1 70 70 ARG N N 70 124.006 124.006 118.164 5.842 25919 5531 1 9 . 1 1 70 70 ARG HA H 70 4.074 4.074 4.124 -0.050 25919 5532 1 9 . 1 1 70 70 ARG C C 70 178.799 178.799 177.497 1.302 25919 5533 1 9 . 1 1 70 70 ARG CA C 70 58.385 58.385 57.037 1.348 25919 5534 1 9 . 1 1 70 70 ARG CB C 70 30.043 30.043 30.497 -0.454 25919 5535 1 9 . 1 1 70 70 ARG H H 70 8.212 8.212 8.052 0.160 25919 5536 1 9 . 1 1 71 71 LEU N N 71 117.764 117.764 119.889 -2.125 25919 5537 1 9 . 1 1 71 71 LEU HA H 71 4.085 4.085 4.274 -0.189 25919 5538 1 9 . 1 1 71 71 LEU CA C 71 55.063 55.063 54.769 0.294 25919 5539 1 9 . 1 1 71 71 LEU CB C 71 43.100 43.100 42.127 0.973 25919 5540 1 9 . 1 1 71 71 LEU H H 71 7.750 7.750 7.955 -0.205 25919 5541 1 9 . 1 1 72 72 GLN N N 72 115.522 115.522 121.921 -6.399 25919 5542 1 9 . 1 1 72 72 GLN HA H 72 3.839 3.839 4.221 -0.382 25919 5543 1 9 . 1 1 72 72 GLN C C 72 175.744 175.744 174.874 0.870 25919 5544 1 9 . 1 1 72 72 GLN CA C 72 56.409 56.409 56.017 0.392 25919 5545 1 9 . 1 1 72 72 GLN CB C 72 25.959 25.959 27.043 -1.084 25919 5546 1 9 . 1 1 72 72 GLN H H 72 7.751 7.751 8.712 -0.961 25919 5547 1 9 . 1 1 73 73 LEU N N 73 115.900 115.900 123.496 -7.596 25919 5548 1 9 . 1 1 73 73 LEU HA H 73 4.254 4.254 4.503 -0.249 25919 5549 1 9 . 1 1 73 73 LEU C C 73 178.568 178.568 175.884 2.684 25919 5550 1 9 . 1 1 73 73 LEU CA C 73 54.468 54.468 53.358 1.110 25919 5551 1 9 . 1 1 73 73 LEU CB C 73 42.050 42.050 42.243 -0.193 25919 5552 1 9 . 1 1 73 73 LEU H H 73 7.573 7.573 7.857 -0.284 25919 5553 1 9 . 1 1 74 74 ASN N N 74 122.154 122.154 123.280 -1.126 25919 5554 1 9 . 1 1 74 74 ASN HA H 74 4.684 4.684 4.574 0.110 25919 5555 1 9 . 1 1 74 74 ASN C C 74 174.122 174.122 176.511 -2.389 25919 5556 1 9 . 1 1 74 74 ASN CA C 74 52.724 52.724 53.210 -0.486 25919 5557 1 9 . 1 1 74 74 ASN CB C 74 39.579 39.579 39.330 0.249 25919 5558 1 9 . 1 1 74 74 ASN H H 74 8.949 8.949 8.742 0.207 25919 5559 1 9 . 1 1 75 75 ALA N N 75 124.274 124.274 123.113 1.161 25919 5560 1 9 . 1 1 75 75 ALA HA H 75 3.972 3.972 3.993 -0.021 25919 5561 1 9 . 1 1 75 75 ALA C C 75 178.113 178.113 179.237 -1.124 25919 5562 1 9 . 1 1 75 75 ALA CA C 75 54.900 54.900 55.023 -0.123 25919 5563 1 9 . 1 1 75 75 ALA CB C 75 18.708 18.708 18.698 0.010 25919 5564 1 9 . 1 1 75 75 ALA H H 75 8.690 8.690 8.589 0.101 25919 5565 1 9 . 1 1 76 76 ASN N N 76 112.911 112.911 114.511 -1.600 25919 5566 1 9 . 1 1 76 76 ASN HA H 76 4.589 4.589 4.586 0.003 25919 5567 1 9 . 1 1 76 76 ASN C C 76 175.515 175.515 175.566 -0.051 25919 5568 1 9 . 1 1 76 76 ASN CA C 76 53.276 53.276 54.229 -0.953 25919 5569 1 9 . 1 1 76 76 ASN CB C 76 38.343 38.343 38.710 -0.367 25919 5570 1 9 . 1 1 76 76 ASN H H 76 8.340 8.340 8.186 0.154 25919 5571 1 9 . 1 1 77 77 GLN N N 77 121.144 121.144 119.463 1.681 25919 5572 1 9 . 1 1 77 77 GLN HA H 77 4.287 4.287 4.442 -0.155 25919 5573 1 9 . 1 1 77 77 GLN C C 77 175.053 175.053 175.367 -0.314 25919 5574 1 9 . 1 1 77 77 GLN CA C 77 55.856 55.856 54.132 1.724 25919 5575 1 9 . 1 1 77 77 GLN CB C 77 30.320 30.320 29.059 1.261 25919 5576 1 9 . 1 1 77 77 GLN H H 77 7.546 7.546 7.794 -0.248 25919 5577 1 9 . 1 1 78 78 ALA N N 78 131.146 131.146 126.320 4.826 25919 5578 1 9 . 1 1 78 78 ALA HA H 78 4.179 4.179 4.310 -0.131 25919 5579 1 9 . 1 1 78 78 ALA C C 78 176.453 176.453 176.327 0.126 25919 5580 1 9 . 1 1 78 78 ALA CA C 78 52.852 52.852 52.380 0.472 25919 5581 1 9 . 1 1 78 78 ALA CB C 78 20.074 20.074 19.580 0.494 25919 5582 1 9 . 1 1 78 78 ALA H H 78 8.730 8.730 8.564 0.166 25919 5583 1 9 . 1 1 79 79 PHE N N 79 119.860 119.860 124.237 -4.377 25919 5584 1 9 . 1 1 79 79 PHE HA H 79 4.453 4.453 5.269 -0.816 25919 5585 1 9 . 1 1 79 79 PHE C C 79 171.834 171.834 172.808 -0.974 25919 5586 1 9 . 1 1 79 79 PHE CA C 79 59.115 59.115 57.393 1.722 25919 5587 1 9 . 1 1 79 79 PHE CB C 79 42.246 42.246 42.818 -0.572 25919 5588 1 9 . 1 1 79 79 PHE H H 79 7.601 7.601 8.039 -0.438 25919 5589 1 9 . 1 1 80 80 PHE N N 80 126.800 126.800 123.337 3.463 25919 5590 1 9 . 1 1 80 80 PHE HA H 80 4.396 4.396 4.561 -0.165 25919 5591 1 9 . 1 1 80 80 PHE C C 80 173.169 173.169 173.025 0.144 25919 5592 1 9 . 1 1 80 80 PHE CA C 80 56.859 56.859 56.413 0.447 25919 5593 1 9 . 1 1 80 80 PHE CB C 80 41.946 41.946 43.261 -1.315 25919 5594 1 9 . 1 1 80 80 PHE H H 80 8.504 8.504 8.638 -0.134 25919 5595 1 9 . 1 1 81 81 LEU N N 81 122.590 122.590 125.195 -2.605 25919 5596 1 9 . 1 1 81 81 LEU HA H 81 4.902 4.902 4.569 0.333 25919 5597 1 9 . 1 1 81 81 LEU CA C 81 53.108 53.108 54.260 -1.152 25919 5598 1 9 . 1 1 81 81 LEU CB C 81 45.781 45.781 43.021 2.760 25919 5599 1 9 . 1 1 81 81 LEU H H 81 8.159 8.159 8.628 -0.469 25919 5600 1 9 . 1 1 82 82 LEU N N 82 126.414 126.414 128.108 -1.694 25919 5601 1 9 . 1 1 82 82 LEU HA H 82 4.807 4.807 4.733 0.074 25919 5602 1 9 . 1 1 82 82 LEU C C 82 174.204 174.204 176.150 -1.946 25919 5603 1 9 . 1 1 82 82 LEU CA C 82 54.200 54.200 53.480 0.720 25919 5604 1 9 . 1 1 82 82 LEU CB C 82 43.650 43.650 41.723 1.927 25919 5605 1 9 . 1 1 82 82 LEU H H 82 9.347 9.347 9.224 0.123 25919 5606 1 9 . 1 1 83 83 VAL N N 83 123.910 123.910 125.519 -1.609 25919 5607 1 9 . 1 1 83 83 VAL HA H 83 4.466 4.466 4.117 0.349 25919 5608 1 9 . 1 1 83 83 VAL C C 83 175.891 175.891 176.951 -1.060 25919 5609 1 9 . 1 1 83 83 VAL CA C 83 61.339 61.339 63.257 -1.918 25919 5610 1 9 . 1 1 83 83 VAL CB C 83 34.013 34.013 31.617 2.396 25919 5611 1 9 . 1 1 83 83 VAL H H 83 8.676 8.676 8.392 0.284 25919 5612 1 9 . 1 1 84 84 ASN N N 84 127.149 127.149 127.200 -0.051 25919 5613 1 9 . 1 1 84 84 ASN HA H 84 4.384 4.384 4.448 -0.064 25919 5614 1 9 . 1 1 84 84 ASN CA C 84 54.494 54.494 54.091 0.403 25919 5615 1 9 . 1 1 84 84 ASN CB C 84 37.933 37.933 37.761 0.172 25919 5616 1 9 . 1 1 84 84 ASN H H 84 9.630 9.630 9.303 0.327 25919 5617 1 9 . 1 1 85 85 GLY N N 85 101.905 101.905 103.033 -1.128 25919 5618 1 9 . 1 1 85 85 GLY C C 85 175.112 175.112 173.574 1.538 25919 5619 1 9 . 1 1 85 85 GLY CA C 85 45.624 45.624 45.812 -0.188 25919 5620 1 9 . 1 1 85 85 GLY H H 85 8.670 8.670 8.177 0.493 25919 5621 1 9 . 1 1 86 86 HIS N N 86 117.905 117.905 118.179 -0.274 25919 5622 1 9 . 1 1 86 86 HIS HA H 86 5.039 5.039 4.974 0.065 25919 5623 1 9 . 1 1 86 86 HIS CA C 86 53.890 53.890 54.341 -0.451 25919 5624 1 9 . 1 1 86 86 HIS CB C 86 30.888 30.888 32.855 -1.967 25919 5625 1 9 . 1 1 86 86 HIS H H 86 7.927 7.927 7.923 0.004 25919 5626 1 9 . 1 1 87 87 SER N N 87 118.646 118.646 117.593 1.053 25919 5627 1 9 . 1 1 87 87 SER HA H 87 4.397 4.397 4.583 -0.186 25919 5628 1 9 . 1 1 87 87 SER C C 87 175.275 175.275 175.154 0.121 25919 5629 1 9 . 1 1 87 87 SER CA C 87 58.414 58.414 59.072 -0.658 25919 5630 1 9 . 1 1 87 87 SER CB C 87 63.772 63.772 63.596 0.175 25919 5631 1 9 . 1 1 87 87 SER H H 87 8.927 8.927 9.321 -0.394 25919 5632 1 9 . 1 1 88 88 MET N N 88 126.013 126.013 127.411 -1.398 25919 5633 1 9 . 1 1 88 88 MET HA H 88 4.851 4.851 4.804 0.047 25919 5634 1 9 . 1 1 88 88 MET C C 88 178.796 178.796 176.860 1.936 25919 5635 1 9 . 1 1 88 88 MET CA C 88 54.727 54.727 55.161 -0.434 25919 5636 1 9 . 1 1 88 88 MET CB C 88 33.309 33.309 33.659 -0.350 25919 5637 1 9 . 1 1 88 88 MET H H 88 9.088 9.088 8.709 0.379 25919 5638 1 9 . 1 1 89 89 VAL N N 89 121.153 121.153 120.159 0.994 25919 5639 1 9 . 1 1 89 89 VAL HA H 89 4.057 4.057 3.857 0.200 25919 5640 1 9 . 1 1 89 89 VAL C C 89 176.695 176.695 176.154 0.541 25919 5641 1 9 . 1 1 89 89 VAL CA C 89 63.592 63.592 65.280 -1.688 25919 5642 1 9 . 1 1 89 89 VAL CB C 89 32.422 32.422 31.075 1.347 25919 5643 1 9 . 1 1 89 89 VAL H H 89 8.144 8.144 7.560 0.584 25919 5644 1 9 . 1 1 90 90 SER N N 90 116.778 116.778 113.528 3.250 25919 5645 1 9 . 1 1 90 90 SER HA H 90 4.561 4.561 4.474 0.087 25919 5646 1 9 . 1 1 90 90 SER C C 90 173.898 173.898 175.182 -1.284 25919 5647 1 9 . 1 1 90 90 SER CA C 90 57.895 57.895 58.116 -0.221 25919 5648 1 9 . 1 1 90 90 SER CB C 90 63.133 63.133 63.523 -0.390 25919 5649 1 9 . 1 1 90 90 SER H H 90 8.322 8.322 7.858 0.464 25919 5650 1 9 . 1 1 91 91 VAL N N 91 120.735 120.735 123.318 -2.583 25919 5651 1 9 . 1 1 91 91 VAL HA H 91 4.286 4.286 4.126 0.160 25919 5652 1 9 . 1 1 91 91 VAL CA C 91 62.846 62.846 61.955 0.891 25919 5653 1 9 . 1 1 91 91 VAL CB C 91 32.069 32.069 32.843 -0.774 25919 5654 1 9 . 1 1 91 91 VAL H H 91 8.036 8.036 7.610 0.426 25919 5655 1 9 . 1 1 92 92 SER N N 92 118.146 118.146 123.019 -4.873 25919 5656 1 9 . 1 1 92 92 SER HA H 92 4.549 4.549 4.433 0.116 25919 5657 1 9 . 1 1 92 92 SER CA C 92 57.813 57.813 58.231 -0.418 25919 5658 1 9 . 1 1 92 92 SER CB C 92 63.488 63.488 63.176 0.312 25919 5659 1 9 . 1 1 92 92 SER H H 92 8.470 8.470 8.880 -0.410 25919 5660 1 9 . 1 1 93 93 THR N N 93 119.747 119.747 118.073 1.674 25919 5661 1 9 . 1 1 93 93 THR HA H 93 4.467 4.467 4.341 0.126 25919 5662 1 9 . 1 1 93 93 THR CA C 93 61.005 61.005 60.991 0.014 25919 5663 1 9 . 1 1 93 93 THR CB C 93 70.592 70.592 69.467 1.125 25919 5664 1 9 . 1 1 93 93 THR H H 93 7.382 7.382 7.659 -0.277 25919 5665 1 9 . 1 1 94 94 PRO HA H 94 4.424 4.424 4.463 -0.039 25919 5666 1 9 . 1 1 94 94 PRO CA C 94 63.060 63.060 63.409 -0.349 25919 5667 1 9 . 1 1 94 94 PRO CB C 94 32.798 32.798 32.335 0.463 25919 5668 1 9 . 1 1 95 95 ILE N N 95 124.894 124.894 123.359 1.535 25919 5669 1 9 . 1 1 95 95 ILE HA H 95 3.984 3.984 3.859 0.125 25919 5670 1 9 . 1 1 95 95 ILE CA C 95 63.963 63.963 62.328 1.635 25919 5671 1 9 . 1 1 95 95 ILE CB C 95 38.200 38.200 38.149 0.051 25919 5672 1 9 . 1 1 95 95 ILE H H 95 9.358 9.358 8.665 0.693 25919 5673 1 9 . 1 1 96 96 SER N N 96 117.523 117.523 115.752 1.771 25919 5674 1 9 . 1 1 96 96 SER HA H 96 4.004 4.004 4.140 -0.136 25919 5675 1 9 . 1 1 96 96 SER CA C 96 61.700 61.700 61.787 -0.087 25919 5676 1 9 . 1 1 96 96 SER CB C 96 61.400 61.400 62.833 -1.433 25919 5677 1 9 . 1 1 96 96 SER H H 96 8.202 8.202 8.086 0.116 25919 5678 1 9 . 1 1 97 97 GLU N N 97 123.657 123.657 122.932 0.725 25919 5679 1 9 . 1 1 97 97 GLU HA H 97 4.282 4.282 4.196 0.086 25919 5680 1 9 . 1 1 97 97 GLU CA C 97 58.700 58.700 58.803 -0.103 25919 5681 1 9 . 1 1 97 97 GLU CB C 97 29.800 29.800 29.269 0.531 25919 5682 1 9 . 1 1 97 97 GLU H H 97 7.301 7.301 7.644 -0.343 25919 5683 1 9 . 1 1 98 98 VAL N N 98 121.907 121.907 120.206 1.701 25919 5684 1 9 . 1 1 98 98 VAL HA H 98 3.797 3.797 3.690 0.107 25919 5685 1 9 . 1 1 98 98 VAL CA C 98 65.949 65.949 67.189 -1.240 25919 5686 1 9 . 1 1 98 98 VAL CB C 98 32.186 32.186 31.492 0.694 25919 5687 1 9 . 1 1 98 98 VAL H H 98 7.410 7.410 7.762 -0.352 25919 5688 1 9 . 1 1 99 99 TYR N N 99 119.526 119.526 121.900 -2.374 25919 5689 1 9 . 1 1 99 99 TYR HA H 99 4.016 4.016 3.962 0.054 25919 5690 1 9 . 1 1 99 99 TYR C C 99 175.741 175.741 177.163 -1.422 25919 5691 1 9 . 1 1 99 99 TYR CA C 99 62.229 62.229 62.152 0.077 25919 5692 1 9 . 1 1 99 99 TYR CB C 99 38.967 38.967 38.435 0.532 25919 5693 1 9 . 1 1 99 99 TYR H H 99 9.071 9.071 8.480 0.591 25919 5694 1 9 . 1 1 100 100 GLU N N 100 114.405 114.405 117.913 -3.508 25919 5695 1 9 . 1 1 100 100 GLU HA H 100 3.850 3.850 3.655 0.195 25919 5696 1 9 . 1 1 100 100 GLU C C 100 178.094 178.094 179.025 -0.931 25919 5697 1 9 . 1 1 100 100 GLU CA C 100 58.920 58.920 58.817 0.103 25919 5698 1 9 . 1 1 100 100 GLU CB C 100 29.481 29.481 28.940 0.541 25919 5699 1 9 . 1 1 100 100 GLU H H 100 7.342 7.342 8.204 -0.862 25919 5700 1 9 . 1 1 101 101 SER N N 101 109.656 109.656 114.998 -5.342 25919 5701 1 9 . 1 1 101 101 SER HA H 101 4.529 4.529 4.351 0.178 25919 5702 1 9 . 1 1 101 101 SER C C 101 176.681 176.681 175.778 0.903 25919 5703 1 9 . 1 1 101 101 SER CA C 101 60.313 60.313 61.180 -0.867 25919 5704 1 9 . 1 1 101 101 SER CB C 101 64.703 64.703 63.721 0.983 25919 5705 1 9 . 1 1 101 101 SER H H 101 7.410 7.410 7.841 -0.431 25919 5706 1 9 . 1 1 102 102 GLU N N 102 117.283 117.283 117.767 -0.484 25919 5707 1 9 . 1 1 102 102 GLU HA H 102 4.721 4.721 4.695 0.026 25919 5708 1 9 . 1 1 102 102 GLU CA C 102 55.592 55.592 55.637 -0.045 25919 5709 1 9 . 1 1 102 102 GLU CB C 102 30.564 30.564 30.425 0.139 25919 5710 1 9 . 1 1 102 102 GLU H H 102 8.500 8.500 8.254 0.246 25919 5711 1 9 . 1 1 103 103 LYS N N 103 118.772 118.772 120.253 -1.481 25919 5712 1 9 . 1 1 103 103 LYS HA H 103 4.179 4.179 4.520 -0.341 25919 5713 1 9 . 1 1 103 103 LYS C C 103 175.032 175.032 176.589 -1.557 25919 5714 1 9 . 1 1 103 103 LYS CA C 103 57.154 57.154 56.384 0.770 25919 5715 1 9 . 1 1 103 103 LYS CB C 103 32.238 32.238 32.562 -0.324 25919 5716 1 9 . 1 1 103 103 LYS H H 103 7.777 7.777 7.686 0.091 25919 5717 1 9 . 1 1 104 104 ASP N N 104 124.024 124.024 124.391 -0.367 25919 5718 1 9 . 1 1 104 104 ASP HA H 104 5.032 5.032 4.872 0.160 25919 5719 1 9 . 1 1 104 104 ASP C C 104 177.548 177.548 177.843 -0.295 25919 5720 1 9 . 1 1 104 104 ASP CA C 104 53.882 53.882 52.358 1.524 25919 5721 1 9 . 1 1 104 104 ASP CB C 104 43.420 43.420 43.651 -0.231 25919 5722 1 9 . 1 1 104 104 ASP H H 104 9.030 9.030 8.972 0.058 25919 5723 1 9 . 1 1 105 105 GLU N N 105 125.669 125.669 118.480 7.189 25919 5724 1 9 . 1 1 105 105 GLU HA H 105 4.179 4.179 4.157 0.022 25919 5725 1 9 . 1 1 105 105 GLU CA C 105 59.526 59.526 58.878 0.648 25919 5726 1 9 . 1 1 105 105 GLU CB C 105 30.036 30.036 29.532 0.504 25919 5727 1 9 . 1 1 105 105 GLU H H 105 8.894 8.894 8.909 -0.015 25919 5728 1 9 . 1 1 106 106 ASP N N 106 119.257 119.257 114.658 4.599 25919 5729 1 9 . 1 1 106 106 ASP HA H 106 4.180 4.180 4.722 -0.542 25919 5730 1 9 . 1 1 106 106 ASP C C 106 176.018 176.018 177.061 -1.043 25919 5731 1 9 . 1 1 106 106 ASP CA C 106 54.750 54.750 53.751 0.999 25919 5732 1 9 . 1 1 106 106 ASP CB C 106 40.250 40.250 40.714 -0.464 25919 5733 1 9 . 1 1 106 106 ASP H H 106 9.838 9.838 8.333 1.505 25919 5734 1 9 . 1 1 107 107 GLY N N 107 106.307 106.307 108.047 -1.740 25919 5735 1 9 . 1 1 107 107 GLY CA C 107 45.125 45.125 45.226 -0.101 25919 5736 1 9 . 1 1 107 107 GLY H H 107 7.945 7.945 8.103 -0.158 25919 5737 1 9 . 1 1 108 108 PHE N N 108 124.389 124.389 120.826 3.563 25919 5738 1 9 . 1 1 108 108 PHE HA H 108 4.670 4.670 4.445 0.225 25919 5739 1 9 . 1 1 108 108 PHE C C 108 179.501 179.501 175.548 3.953 25919 5740 1 9 . 1 1 108 108 PHE CA C 108 60.288 60.288 59.516 0.772 25919 5741 1 9 . 1 1 108 108 PHE CB C 108 40.506 40.506 40.074 0.432 25919 5742 1 9 . 1 1 108 108 PHE H H 108 9.739 9.739 8.610 1.129 25919 5743 1 9 . 1 1 109 109 LEU N N 109 120.814 120.814 123.977 -3.163 25919 5744 1 9 . 1 1 109 109 LEU HA H 109 5.038 5.038 4.844 0.194 25919 5745 1 9 . 1 1 109 109 LEU CA C 109 53.479 53.479 54.081 -0.602 25919 5746 1 9 . 1 1 109 109 LEU CB C 109 45.197 45.197 43.337 1.860 25919 5747 1 9 . 1 1 109 109 LEU H H 109 7.968 7.968 8.853 -0.885 25919 5748 1 9 . 1 1 110 110 TYR N N 110 127.403 127.403 126.416 0.987 25919 5749 1 9 . 1 1 110 110 TYR HA H 110 4.907 4.907 4.600 0.307 25919 5750 1 9 . 1 1 110 110 TYR CA C 110 59.259 59.259 58.761 0.498 25919 5751 1 9 . 1 1 110 110 TYR CB C 110 39.469 39.469 39.608 -0.139 25919 5752 1 9 . 1 1 110 110 TYR H H 110 9.349 9.349 8.198 1.151 25919 5753 1 9 . 1 1 111 111 MET N N 111 120.344 120.344 121.307 -0.963 25919 5754 1 9 . 1 1 111 111 MET HA H 111 5.543 5.543 5.314 0.229 25919 5755 1 9 . 1 1 111 111 MET CA C 111 54.341 54.341 54.416 -0.075 25919 5756 1 9 . 1 1 111 111 MET CB C 111 36.894 36.894 37.281 -0.387 25919 5757 1 9 . 1 1 111 111 MET H H 111 9.575 9.575 8.592 0.983 25919 5758 1 9 . 1 1 112 112 VAL N N 112 121.026 121.026 115.870 5.156 25919 5759 1 9 . 1 1 112 112 VAL HA H 112 5.938 5.938 5.536 0.402 25919 5760 1 9 . 1 1 112 112 VAL C C 112 176.696 176.696 173.649 3.047 25919 5761 1 9 . 1 1 112 112 VAL CA C 112 59.068 59.068 59.121 -0.053 25919 5762 1 9 . 1 1 112 112 VAL CB C 112 36.180 36.180 35.998 0.182 25919 5763 1 9 . 1 1 112 112 VAL H H 112 8.730 8.730 8.976 -0.246 25919 5764 1 9 . 1 1 113 113 TYR N N 113 119.995 119.995 118.722 1.273 25919 5765 1 9 . 1 1 113 113 TYR HA H 113 6.143 6.143 5.698 0.445 25919 5766 1 9 . 1 1 113 113 TYR C C 113 173.533 173.533 173.151 0.382 25919 5767 1 9 . 1 1 113 113 TYR CA C 113 54.165 54.165 55.183 -1.018 25919 5768 1 9 . 1 1 113 113 TYR CB C 113 43.667 43.667 42.162 1.505 25919 5769 1 9 . 1 1 113 113 TYR H H 113 8.172 8.172 8.916 -0.744 25919 5770 1 9 . 1 1 114 114 ALA N N 114 120.454 120.454 122.707 -2.253 25919 5771 1 9 . 1 1 114 114 ALA HA H 114 4.750 4.750 4.791 -0.041 25919 5772 1 9 . 1 1 114 114 ALA C C 114 176.007 176.007 175.751 0.256 25919 5773 1 9 . 1 1 114 114 ALA CA C 114 51.356 51.356 51.133 0.223 25919 5774 1 9 . 1 1 114 114 ALA CB C 114 24.623 24.623 21.613 3.010 25919 5775 1 9 . 1 1 114 114 ALA H H 114 8.499 8.499 8.704 -0.205 25919 5776 1 9 . 1 1 115 115 SER N N 115 115.279 115.279 116.004 -0.725 25919 5777 1 9 . 1 1 115 115 SER HA H 115 4.505 4.505 4.656 -0.151 25919 5778 1 9 . 1 1 115 115 SER C C 115 172.860 172.860 174.910 -2.050 25919 5779 1 9 . 1 1 115 115 SER CA C 115 58.837 58.837 60.198 -1.361 25919 5780 1 9 . 1 1 115 115 SER CB C 115 63.798 63.798 63.543 0.255 25919 5781 1 9 . 1 1 115 115 SER H H 115 9.823 9.823 9.340 0.483 25919 5782 1 9 . 1 1 116 116 GLN N N 116 117.398 117.398 117.747 -0.349 25919 5783 1 9 . 1 1 116 116 GLN HA H 116 4.453 4.453 4.536 -0.083 25919 5784 1 9 . 1 1 116 116 GLN C C 116 173.181 173.181 174.272 -1.091 25919 5785 1 9 . 1 1 116 116 GLN CA C 116 54.024 54.024 54.504 -0.480 25919 5786 1 9 . 1 1 116 116 GLN CB C 116 32.179 32.179 30.445 1.734 25919 5787 1 9 . 1 1 116 116 GLN H H 116 7.165 7.165 7.517 -0.352 25919 5788 1 9 . 1 1 117 117 GLU N N 117 118.885 118.885 120.050 -1.165 25919 5789 1 9 . 1 1 117 117 GLU HA H 117 3.224 3.224 3.690 -0.466 25919 5790 1 9 . 1 1 117 117 GLU C C 117 175.451 175.451 175.607 -0.156 25919 5791 1 9 . 1 1 117 117 GLU CA C 117 56.917 56.917 57.609 -0.692 25919 5792 1 9 . 1 1 117 117 GLU CB C 117 30.206 30.206 29.682 0.524 25919 5793 1 9 . 1 1 117 117 GLU H H 117 7.873 7.873 8.460 -0.587 25919 5794 1 9 . 1 1 118 118 THR N N 118 110.883 110.883 109.222 1.661 25919 5795 1 9 . 1 1 118 118 THR HA H 118 4.074 4.074 4.215 -0.141 25919 5796 1 9 . 1 1 118 118 THR C C 118 173.234 173.234 174.548 -1.314 25919 5797 1 9 . 1 1 118 118 THR CA C 118 60.300 60.300 60.562 -0.263 25919 5798 1 9 . 1 1 118 118 THR CB C 118 70.118 70.118 69.626 0.492 25919 5799 1 9 . 1 1 118 118 THR H H 118 6.988 6.988 7.105 -0.117 25919 5800 1 9 . 1 1 119 119 PHE N N 119 122.773 122.773 122.978 -0.205 25919 5801 1 9 . 1 1 119 119 PHE HA H 119 4.397 4.397 4.730 -0.333 25919 5802 1 9 . 1 1 119 119 PHE C C 119 175.045 175.045 176.704 -1.659 25919 5803 1 9 . 1 1 119 119 PHE CA C 119 56.810 56.810 57.972 -1.162 25919 5804 1 9 . 1 1 119 119 PHE CB C 119 39.349 39.349 38.698 0.651 25919 5805 1 9 . 1 1 119 119 PHE H H 119 8.122 8.122 8.171 -0.049 25919 5806 1 10 . 1 1 2 2 PRO HA H 2 4.424 4.424 4.652 -0.228 25919 5807 1 10 . 1 1 2 2 PRO C C 2 176.917 176.917 176.954 -0.037 25919 5808 1 10 . 1 1 2 2 PRO CA C 2 63.418 63.418 63.963 -0.545 25919 5809 1 10 . 1 1 2 2 PRO CB C 2 32.160 32.160 32.285 -0.125 25919 5810 1 10 . 1 1 3 3 SER N N 3 116.273 116.273 114.900 1.373 25919 5811 1 10 . 1 1 3 3 SER HA H 3 4.389 4.389 4.395 -0.006 25919 5812 1 10 . 1 1 3 3 SER C C 3 174.762 174.762 174.609 0.153 25919 5813 1 10 . 1 1 3 3 SER CA C 3 58.472 58.472 59.642 -1.170 25919 5814 1 10 . 1 1 3 3 SER CB C 3 63.913 63.913 63.818 0.095 25919 5815 1 10 . 1 1 3 3 SER H H 3 8.366 8.366 8.396 -0.030 25919 5816 1 10 . 1 1 4 4 GLU N N 4 123.959 123.959 120.026 3.933 25919 5817 1 10 . 1 1 4 4 GLU HA H 4 4.289 4.289 4.518 -0.229 25919 5818 1 10 . 1 1 4 4 GLU C C 4 176.545 176.545 175.287 1.258 25919 5819 1 10 . 1 1 4 4 GLU CA C 4 56.785 56.785 55.621 1.164 25919 5820 1 10 . 1 1 4 4 GLU CB C 4 30.200 30.200 31.532 -1.332 25919 5821 1 10 . 1 1 4 4 GLU H H 4 8.513 8.513 8.094 0.419 25919 5822 1 10 . 1 1 5 5 LYS N N 5 122.165 122.165 120.892 1.273 25919 5823 1 10 . 1 1 5 5 LYS HA H 5 4.508 4.508 4.114 0.394 25919 5824 1 10 . 1 1 5 5 LYS C C 5 177.178 177.178 175.951 1.227 25919 5825 1 10 . 1 1 5 5 LYS CA C 5 56.000 56.000 56.672 -0.672 25919 5826 1 10 . 1 1 5 5 LYS CB C 5 34.758 34.758 32.520 2.237 25919 5827 1 10 . 1 1 5 5 LYS H H 5 8.198 8.198 8.527 -0.329 25919 5828 1 10 . 1 1 6 6 THR N N 6 115.586 115.586 111.820 3.766 25919 5829 1 10 . 1 1 6 6 THR HA H 6 4.426 4.426 4.415 0.011 25919 5830 1 10 . 1 1 6 6 THR C C 6 175.570 175.570 176.073 -0.503 25919 5831 1 10 . 1 1 6 6 THR CA C 6 61.120 61.120 61.346 -0.226 25919 5832 1 10 . 1 1 6 6 THR CB C 6 69.871 69.871 70.172 -0.301 25919 5833 1 10 . 1 1 6 6 THR H H 6 8.423 8.423 8.048 0.375 25919 5834 1 10 . 1 1 7 7 PHE N N 7 126.100 126.100 122.096 4.004 25919 5835 1 10 . 1 1 7 7 PHE HA H 7 3.935 3.935 4.252 -0.317 25919 5836 1 10 . 1 1 7 7 PHE CA C 7 63.687 63.687 60.217 3.470 25919 5837 1 10 . 1 1 7 7 PHE CB C 7 39.656 39.656 39.256 0.400 25919 5838 1 10 . 1 1 7 7 PHE H H 7 10.276 10.276 9.437 0.839 25919 5839 1 10 . 1 1 8 8 LYS N N 8 115.026 115.026 121.781 -6.755 25919 5840 1 10 . 1 1 8 8 LYS HA H 8 3.800 3.800 4.079 -0.279 25919 5841 1 10 . 1 1 8 8 LYS CA C 8 59.944 59.944 58.091 1.853 25919 5842 1 10 . 1 1 8 8 LYS CB C 8 33.852 33.852 31.916 1.936 25919 5843 1 10 . 1 1 8 8 LYS H H 8 8.707 8.707 7.703 1.004 25919 5844 1 10 . 1 1 9 9 GLN N N 9 113.774 113.774 117.642 -3.868 25919 5845 1 10 . 1 1 9 9 GLN HA H 9 4.178 4.178 4.095 0.083 25919 5846 1 10 . 1 1 9 9 GLN C C 9 173.193 173.193 177.643 -4.450 25919 5847 1 10 . 1 1 9 9 GLN CA C 9 56.741 56.741 58.324 -1.583 25919 5848 1 10 . 1 1 9 9 GLN CB C 9 30.065 30.065 29.207 0.858 25919 5849 1 10 . 1 1 9 9 GLN H H 9 7.343 7.343 7.928 -0.585 25919 5850 1 10 . 1 1 10 10 ARG N N 10 119.156 119.156 116.502 2.654 25919 5851 1 10 . 1 1 10 10 ARG HA H 10 4.248 4.248 4.383 -0.135 25919 5852 1 10 . 1 1 10 10 ARG CA C 10 57.555 57.555 56.878 0.677 25919 5853 1 10 . 1 1 10 10 ARG CB C 10 31.771 31.771 31.828 -0.057 25919 5854 1 10 . 1 1 10 10 ARG H H 10 7.912 7.912 7.649 0.263 25919 5855 1 10 . 1 1 11 11 ARG N N 11 120.777 120.777 118.162 2.615 25919 5856 1 10 . 1 1 11 11 ARG HA H 11 4.685 4.685 4.613 0.072 25919 5857 1 10 . 1 1 11 11 ARG CA C 11 53.161 53.161 53.605 -0.444 25919 5858 1 10 . 1 1 11 11 ARG CB C 11 32.773 32.773 33.372 -0.599 25919 5859 1 10 . 1 1 11 11 ARG H H 11 7.341 7.341 7.926 -0.585 25919 5860 1 10 . 1 1 12 12 THR N N 12 116.696 116.696 111.647 5.049 25919 5861 1 10 . 1 1 12 12 THR HA H 12 4.358 4.358 4.612 -0.254 25919 5862 1 10 . 1 1 12 12 THR C C 12 175.056 175.056 175.569 -0.513 25919 5863 1 10 . 1 1 12 12 THR CA C 12 61.795 61.795 59.287 2.508 25919 5864 1 10 . 1 1 12 12 THR CB C 12 71.050 71.050 71.641 -0.591 25919 5865 1 10 . 1 1 12 12 THR H H 12 8.855 8.855 7.948 0.907 25919 5866 1 10 . 1 1 13 13 PHE N N 13 123.894 123.894 123.253 0.641 25919 5867 1 10 . 1 1 13 13 PHE HA H 13 4.043 4.043 4.478 -0.435 25919 5868 1 10 . 1 1 13 13 PHE C C 13 176.234 176.234 176.971 -0.737 25919 5869 1 10 . 1 1 13 13 PHE CA C 13 62.947 62.947 61.755 1.192 25919 5870 1 10 . 1 1 13 13 PHE CB C 13 39.571 39.571 39.576 -0.005 25919 5871 1 10 . 1 1 13 13 PHE H H 13 9.221 9.221 8.826 0.395 25919 5872 1 10 . 1 1 14 14 GLU N N 14 116.516 116.516 118.334 -1.818 25919 5873 1 10 . 1 1 14 14 GLU HA H 14 3.812 3.812 3.638 0.174 25919 5874 1 10 . 1 1 14 14 GLU CA C 14 60.699 60.699 59.408 1.291 25919 5875 1 10 . 1 1 14 14 GLU CB C 14 28.943 28.943 29.174 -0.231 25919 5876 1 10 . 1 1 14 14 GLU H H 14 9.002 9.002 8.747 0.255 25919 5877 1 10 . 1 1 15 15 GLN N N 15 119.291 119.291 117.185 2.106 25919 5878 1 10 . 1 1 15 15 GLN HA H 15 4.024 4.024 4.098 -0.074 25919 5879 1 10 . 1 1 15 15 GLN C C 15 175.263 175.263 178.702 -3.439 25919 5880 1 10 . 1 1 15 15 GLN CA C 15 58.800 58.800 57.962 0.838 25919 5881 1 10 . 1 1 15 15 GLN CB C 15 29.300 29.300 28.272 1.028 25919 5882 1 10 . 1 1 15 15 GLN H H 15 7.706 7.706 7.686 0.020 25919 5883 1 10 . 1 1 16 16 ARG N N 16 122.883 122.883 120.838 2.045 25919 5884 1 10 . 1 1 16 16 ARG HA H 16 4.235 4.235 4.141 0.094 25919 5885 1 10 . 1 1 16 16 ARG CA C 16 61.660 61.660 59.443 2.217 25919 5886 1 10 . 1 1 16 16 ARG CB C 16 30.877 30.877 30.214 0.663 25919 5887 1 10 . 1 1 16 16 ARG H H 16 8.567 8.567 8.216 0.351 25919 5888 1 10 . 1 1 17 17 VAL N N 17 118.523 118.523 120.783 -2.260 25919 5889 1 10 . 1 1 17 17 VAL HA H 17 3.865 3.865 3.632 0.233 25919 5890 1 10 . 1 1 17 17 VAL C C 17 174.213 174.213 178.131 -3.918 25919 5891 1 10 . 1 1 17 17 VAL CA C 17 65.550 65.550 66.621 -1.071 25919 5892 1 10 . 1 1 17 17 VAL CB C 17 32.171 32.171 31.444 0.727 25919 5893 1 10 . 1 1 17 17 VAL H H 17 8.430 8.430 8.407 0.023 25919 5894 1 10 . 1 1 18 18 GLU N N 18 120.170 120.170 119.558 0.612 25919 5895 1 10 . 1 1 18 18 GLU HA H 18 4.212 4.212 4.020 0.192 25919 5896 1 10 . 1 1 18 18 GLU C C 18 175.758 175.758 179.029 -3.271 25919 5897 1 10 . 1 1 18 18 GLU CA C 18 58.488 58.488 59.359 -0.871 25919 5898 1 10 . 1 1 18 18 GLU CB C 18 29.360 29.360 28.947 0.413 25919 5899 1 10 . 1 1 18 18 GLU H H 18 7.423 7.423 7.961 -0.538 25919 5900 1 10 . 1 1 19 19 ASP N N 19 121.273 121.273 120.921 0.352 25919 5901 1 10 . 1 1 19 19 ASP HA H 19 4.384 4.384 4.458 -0.074 25919 5902 1 10 . 1 1 19 19 ASP C C 19 177.016 177.016 178.736 -1.720 25919 5903 1 10 . 1 1 19 19 ASP CA C 19 56.900 56.900 57.568 -0.668 25919 5904 1 10 . 1 1 19 19 ASP CB C 19 41.884 41.884 40.505 1.379 25919 5905 1 10 . 1 1 19 19 ASP H H 19 7.955 7.955 8.377 -0.422 25919 5906 1 10 . 1 1 20 20 VAL N N 20 119.523 119.523 120.752 -1.229 25919 5907 1 10 . 1 1 20 20 VAL HA H 20 3.232 3.232 3.591 -0.359 25919 5908 1 10 . 1 1 20 20 VAL C C 20 173.876 173.876 177.081 -3.205 25919 5909 1 10 . 1 1 20 20 VAL CA C 20 66.128 66.128 65.865 0.263 25919 5910 1 10 . 1 1 20 20 VAL CB C 20 31.099 31.099 31.590 -0.491 25919 5911 1 10 . 1 1 20 20 VAL H H 20 7.818 7.818 8.663 -0.845 25919 5912 1 10 . 1 1 21 21 ARG N N 21 120.310 120.310 120.358 -0.048 25919 5913 1 10 . 1 1 21 21 ARG HA H 21 3.803 3.803 4.020 -0.217 25919 5914 1 10 . 1 1 21 21 ARG CA C 21 59.934 59.934 59.817 0.117 25919 5915 1 10 . 1 1 21 21 ARG CB C 21 30.076 30.076 30.089 -0.013 25919 5916 1 10 . 1 1 21 21 ARG H H 21 8.037 8.037 7.600 0.437 25919 5917 1 10 . 1 1 22 22 LEU N N 22 118.660 118.660 120.465 -1.805 25919 5918 1 10 . 1 1 22 22 LEU HA H 22 4.094 4.094 4.008 0.086 25919 5919 1 10 . 1 1 22 22 LEU C C 22 177.626 177.626 179.282 -1.656 25919 5920 1 10 . 1 1 22 22 LEU CA C 22 57.738 57.738 58.020 -0.282 25919 5921 1 10 . 1 1 22 22 LEU CB C 22 42.222 42.222 42.030 0.192 25919 5922 1 10 . 1 1 22 22 LEU H H 22 8.050 8.050 8.522 -0.472 25919 5923 1 10 . 1 1 23 23 ILE N N 23 122.825 122.825 119.931 2.894 25919 5924 1 10 . 1 1 23 23 ILE HA H 23 4.122 4.122 3.711 0.411 25919 5925 1 10 . 1 1 23 23 ILE C C 23 176.226 176.226 177.506 -1.280 25919 5926 1 10 . 1 1 23 23 ILE CA C 23 61.243 61.243 62.938 -1.695 25919 5927 1 10 . 1 1 23 23 ILE CB C 23 38.268 38.268 37.111 1.157 25919 5928 1 10 . 1 1 23 23 ILE H H 23 8.390 8.390 8.520 -0.130 25919 5929 1 10 . 1 1 24 24 ARG N N 24 122.365 122.365 119.163 3.202 25919 5930 1 10 . 1 1 24 24 ARG HA H 24 4.017 4.017 4.002 0.015 25919 5931 1 10 . 1 1 24 24 ARG CA C 24 57.684 57.684 58.809 -1.125 25919 5932 1 10 . 1 1 24 24 ARG CB C 24 28.817 28.817 29.633 -0.816 25919 5933 1 10 . 1 1 24 24 ARG H H 24 8.540 8.540 8.235 0.305 25919 5934 1 10 . 1 1 25 25 GLU N N 25 118.383 118.383 117.150 1.233 25919 5935 1 10 . 1 1 25 25 GLU HA H 25 4.044 4.044 4.248 -0.204 25919 5936 1 10 . 1 1 25 25 GLU CA C 25 58.680 58.680 57.742 0.938 25919 5937 1 10 . 1 1 25 25 GLU CB C 25 29.850 29.850 29.751 0.099 25919 5938 1 10 . 1 1 25 25 GLU H H 25 7.287 7.287 7.616 -0.329 25919 5939 1 10 . 1 1 26 26 GLN N N 26 117.165 117.165 117.618 -0.453 25919 5940 1 10 . 1 1 26 26 GLN HA H 26 3.948 3.948 3.940 0.008 25919 5941 1 10 . 1 1 26 26 GLN C C 26 176.221 176.221 176.783 -0.562 25919 5942 1 10 . 1 1 26 26 GLN CA C 26 57.638 57.638 58.032 -0.394 25919 5943 1 10 . 1 1 26 26 GLN CB C 26 30.320 30.320 29.643 0.677 25919 5944 1 10 . 1 1 26 26 GLN H H 26 7.423 7.423 8.034 -0.611 25919 5945 1 10 . 1 1 27 27 HIS N N 27 117.140 117.140 114.513 2.627 25919 5946 1 10 . 1 1 27 27 HIS HA H 27 4.866 4.866 5.025 -0.159 25919 5947 1 10 . 1 1 27 27 HIS CA C 27 53.305 53.305 53.401 -0.096 25919 5948 1 10 . 1 1 27 27 HIS CB C 27 30.917 30.917 30.385 0.532 25919 5949 1 10 . 1 1 27 27 HIS H H 27 8.254 8.254 8.119 0.135 25919 5950 1 10 . 1 1 28 28 PRO HA H 28 4.609 4.609 4.336 0.273 25919 5951 1 10 . 1 1 28 28 PRO CA C 28 64.881 64.881 64.561 0.320 25919 5952 1 10 . 1 1 28 28 PRO CB C 28 32.554 32.554 32.027 0.527 25919 5953 1 10 . 1 1 29 29 THR N N 29 107.339 107.339 105.703 1.636 25919 5954 1 10 . 1 1 29 29 THR HA H 29 4.644 4.644 4.268 0.376 25919 5955 1 10 . 1 1 29 29 THR C C 29 172.933 172.933 174.179 -1.246 25919 5956 1 10 . 1 1 29 29 THR CA C 29 60.600 60.600 62.581 -1.981 25919 5957 1 10 . 1 1 29 29 THR CB C 29 68.520 68.520 69.008 -0.488 25919 5958 1 10 . 1 1 29 29 THR H H 29 7.764 7.764 8.254 -0.490 25919 5959 1 10 . 1 1 30 30 LYS N N 30 118.273 118.273 121.543 -3.270 25919 5960 1 10 . 1 1 30 30 LYS HA H 30 4.926 4.926 4.946 -0.020 25919 5961 1 10 . 1 1 30 30 LYS C C 30 175.010 175.010 175.342 -0.332 25919 5962 1 10 . 1 1 30 30 LYS CA C 30 53.740 53.740 55.371 -1.631 25919 5963 1 10 . 1 1 30 30 LYS CB C 30 36.445 36.445 34.767 1.679 25919 5964 1 10 . 1 1 30 30 LYS H H 30 7.478 7.478 7.701 -0.223 25919 5965 1 10 . 1 1 31 31 ILE N N 31 123.498 123.498 122.270 1.228 25919 5966 1 10 . 1 1 31 31 ILE HA H 31 4.139 4.139 4.181 -0.042 25919 5967 1 10 . 1 1 31 31 ILE CA C 31 54.669 54.669 55.949 -1.280 25919 5968 1 10 . 1 1 31 31 ILE CB C 31 38.427 38.427 38.831 -0.404 25919 5969 1 10 . 1 1 31 31 ILE H H 31 9.235 9.235 8.733 0.502 25919 5970 1 10 . 1 1 32 32 PRO HA H 32 5.212 5.212 4.302 0.910 25919 5971 1 10 . 1 1 32 32 PRO C C 32 174.832 174.832 175.438 -0.606 25919 5972 1 10 . 1 1 32 32 PRO CA C 32 61.678 61.678 61.462 0.215 25919 5973 1 10 . 1 1 32 32 PRO CB C 32 30.993 30.993 30.741 0.252 25919 5974 1 10 . 1 1 33 33 VAL N N 33 124.964 124.964 118.523 6.441 25919 5975 1 10 . 1 1 33 33 VAL HA H 33 5.234 5.234 5.036 0.198 25919 5976 1 10 . 1 1 33 33 VAL CA C 33 59.611 59.611 60.136 -0.526 25919 5977 1 10 . 1 1 33 33 VAL CB C 33 35.711 35.711 35.474 0.237 25919 5978 1 10 . 1 1 33 33 VAL H H 33 9.289 9.289 8.318 0.971 25919 5979 1 10 . 1 1 34 34 ILE N N 34 127.908 127.908 121.920 5.988 25919 5980 1 10 . 1 1 34 34 ILE HA H 34 4.742 4.742 4.639 0.103 25919 5981 1 10 . 1 1 34 34 ILE CA C 34 56.330 56.330 60.242 -3.912 25919 5982 1 10 . 1 1 34 34 ILE CB C 34 36.629 36.629 41.785 -5.156 25919 5983 1 10 . 1 1 34 34 ILE H H 34 8.594 8.594 8.903 -0.309 25919 5984 1 10 . 1 1 35 35 ILE N N 35 125.405 125.405 127.193 -1.788 25919 5985 1 10 . 1 1 35 35 ILE HA H 35 4.879 4.879 5.392 -0.513 25919 5986 1 10 . 1 1 35 35 ILE C C 35 176.126 176.126 173.763 2.363 25919 5987 1 10 . 1 1 35 35 ILE CA C 35 60.923 60.923 58.975 1.948 25919 5988 1 10 . 1 1 35 35 ILE CB C 35 38.968 38.968 41.132 -2.163 25919 5989 1 10 . 1 1 35 35 ILE H H 35 8.545 8.545 8.930 -0.385 25919 5990 1 10 . 1 1 36 36 GLU N N 36 124.153 124.153 129.007 -4.854 25919 5991 1 10 . 1 1 36 36 GLU HA H 36 4.789 4.789 4.946 -0.157 25919 5992 1 10 . 1 1 36 36 GLU C C 36 173.645 173.645 174.843 -1.198 25919 5993 1 10 . 1 1 36 36 GLU CA C 36 54.282 54.282 54.090 0.192 25919 5994 1 10 . 1 1 36 36 GLU CB C 36 35.401 35.401 34.050 1.351 25919 5995 1 10 . 1 1 36 36 GLU H H 36 8.363 8.363 9.179 -0.816 25919 5996 1 10 . 1 1 37 37 ARG N N 37 123.957 123.957 129.644 -5.687 25919 5997 1 10 . 1 1 37 37 ARG HA H 37 2.804 2.804 4.359 -1.555 25919 5998 1 10 . 1 1 37 37 ARG C C 37 176.456 176.456 176.105 0.351 25919 5999 1 10 . 1 1 37 37 ARG CA C 37 56.120 56.120 56.709 -0.589 25919 6000 1 10 . 1 1 37 37 ARG CB C 37 31.500 31.500 30.784 0.716 25919 6001 1 10 . 1 1 37 37 ARG H H 37 8.853 8.853 8.886 -0.033 25919 6002 1 10 . 1 1 38 38 TYR N N 38 129.636 129.636 128.913 0.723 25919 6003 1 10 . 1 1 38 38 TYR HA H 38 4.311 4.311 4.237 0.074 25919 6004 1 10 . 1 1 38 38 TYR CA C 38 57.907 57.907 59.564 -1.657 25919 6005 1 10 . 1 1 38 38 TYR CB C 38 39.567 39.567 39.545 0.022 25919 6006 1 10 . 1 1 38 38 TYR H H 38 8.663 8.663 8.679 -0.016 25919 6007 1 10 . 1 1 39 39 LYS N N 39 130.772 130.772 125.596 5.176 25919 6008 1 10 . 1 1 39 39 LYS HA H 39 3.848 3.848 3.832 0.016 25919 6009 1 10 . 1 1 39 39 LYS CA C 39 58.986 58.986 58.909 0.077 25919 6010 1 10 . 1 1 39 39 LYS CB C 39 31.777 31.777 32.236 -0.459 25919 6011 1 10 . 1 1 39 39 LYS H H 39 8.389 8.389 8.361 0.028 25919 6012 1 10 . 1 1 40 40 GLY N N 40 106.013 106.013 102.472 3.541 25919 6013 1 10 . 1 1 40 40 GLY C C 40 173.407 173.407 174.465 -1.058 25919 6014 1 10 . 1 1 40 40 GLY CA C 40 44.796 44.796 45.030 -0.234 25919 6015 1 10 . 1 1 40 40 GLY H H 40 5.643 5.643 6.884 -1.241 25919 6016 1 10 . 1 1 41 41 GLU N N 41 123.519 123.519 119.638 3.881 25919 6017 1 10 . 1 1 41 41 GLU HA H 41 4.265 4.265 4.306 -0.041 25919 6018 1 10 . 1 1 41 41 GLU C C 41 176.231 176.231 175.868 0.363 25919 6019 1 10 . 1 1 41 41 GLU CA C 41 56.365 56.365 55.602 0.763 25919 6020 1 10 . 1 1 41 41 GLU CB C 41 31.077 31.077 29.505 1.572 25919 6021 1 10 . 1 1 41 41 GLU H H 41 7.464 7.464 7.015 0.449 25919 6022 1 10 . 1 1 42 42 LYS N N 42 124.405 124.405 126.852 -2.447 25919 6023 1 10 . 1 1 42 42 LYS HA H 42 4.669 4.669 4.179 0.490 25919 6024 1 10 . 1 1 42 42 LYS C C 42 177.170 177.170 176.419 0.751 25919 6025 1 10 . 1 1 42 42 LYS CA C 42 55.750 55.750 56.437 -0.687 25919 6026 1 10 . 1 1 42 42 LYS CB C 42 34.929 34.929 30.892 4.037 25919 6027 1 10 . 1 1 42 42 LYS H H 42 8.895 8.895 8.429 0.466 25919 6028 1 10 . 1 1 43 43 GLN N N 43 119.903 119.903 119.232 0.671 25919 6029 1 10 . 1 1 43 43 GLN HA H 43 4.541 4.541 4.060 0.481 25919 6030 1 10 . 1 1 43 43 GLN C C 43 177.260 177.260 175.805 1.455 25919 6031 1 10 . 1 1 43 43 GLN CA C 43 57.566 57.566 57.492 0.074 25919 6032 1 10 . 1 1 43 43 GLN CB C 43 30.620 30.620 29.008 1.612 25919 6033 1 10 . 1 1 43 43 GLN H H 43 8.459 8.459 7.593 0.866 25919 6034 1 10 . 1 1 44 44 LEU N N 44 121.272 121.272 122.363 -1.091 25919 6035 1 10 . 1 1 44 44 LEU HA H 44 4.726 4.726 4.724 0.002 25919 6036 1 10 . 1 1 44 44 LEU CA C 44 53.165 53.165 52.336 0.830 25919 6037 1 10 . 1 1 44 44 LEU CB C 44 43.444 43.444 41.476 1.968 25919 6038 1 10 . 1 1 44 44 LEU H H 44 9.002 9.002 7.978 1.024 25919 6039 1 10 . 1 1 45 45 PRO HA H 45 4.722 4.722 4.565 0.157 25919 6040 1 10 . 1 1 45 45 PRO CA C 45 62.169 62.169 62.721 -0.552 25919 6041 1 10 . 1 1 45 45 PRO CB C 45 32.722 32.722 32.829 -0.107 25919 6042 1 10 . 1 1 46 46 VAL N N 46 118.403 118.403 124.448 -6.045 25919 6043 1 10 . 1 1 46 46 VAL HA H 46 4.009 4.009 4.030 -0.021 25919 6044 1 10 . 1 1 46 46 VAL C C 46 173.416 173.416 177.831 -4.415 25919 6045 1 10 . 1 1 46 46 VAL CA C 46 62.413 62.413 64.479 -2.066 25919 6046 1 10 . 1 1 46 46 VAL CB C 46 33.087 33.087 31.999 1.088 25919 6047 1 10 . 1 1 46 46 VAL H H 46 8.349 8.349 8.668 -0.319 25919 6048 1 10 . 1 1 47 47 LEU N N 47 128.653 128.653 116.616 12.037 25919 6049 1 10 . 1 1 47 47 LEU HA H 47 4.452 4.452 3.855 0.597 25919 6050 1 10 . 1 1 47 47 LEU CA C 47 54.758 54.758 57.358 -2.600 25919 6051 1 10 . 1 1 47 47 LEU CB C 47 44.076 44.076 40.324 3.752 25919 6052 1 10 . 1 1 47 47 LEU H H 47 8.064 8.064 8.355 -0.291 25919 6053 1 10 . 1 1 48 48 ASP N N 48 121.042 121.042 113.923 7.119 25919 6054 1 10 . 1 1 48 48 ASP HA H 48 4.347 4.347 4.660 -0.313 25919 6055 1 10 . 1 1 48 48 ASP CA C 48 55.600 55.600 53.714 1.886 25919 6056 1 10 . 1 1 48 48 ASP CB C 48 40.407 40.407 41.861 -1.454 25919 6057 1 10 . 1 1 48 48 ASP H H 48 8.649 8.649 8.367 0.282 25919 6058 1 10 . 1 1 49 49 LYS N N 49 118.877 118.877 121.721 -2.844 25919 6059 1 10 . 1 1 49 49 LYS HA H 49 4.541 4.541 4.257 0.284 25919 6060 1 10 . 1 1 49 49 LYS C C 49 179.744 179.744 176.237 3.507 25919 6061 1 10 . 1 1 49 49 LYS CA C 49 54.099 54.099 56.414 -2.315 25919 6062 1 10 . 1 1 49 49 LYS CB C 49 35.378 35.378 32.288 3.090 25919 6063 1 10 . 1 1 49 49 LYS H H 49 7.287 7.287 8.186 -0.899 25919 6064 1 10 . 1 1 50 50 THR N N 50 114.691 114.691 112.525 2.166 25919 6065 1 10 . 1 1 50 50 THR HA H 50 4.628 4.628 4.589 0.039 25919 6066 1 10 . 1 1 50 50 THR CA C 50 63.920 63.920 61.957 1.963 25919 6067 1 10 . 1 1 50 50 THR CB C 50 71.365 71.365 70.732 0.633 25919 6068 1 10 . 1 1 50 50 THR H H 50 8.064 8.064 8.124 -0.060 25919 6069 1 10 . 1 1 51 51 LYS N N 51 120.273 120.273 123.280 -3.007 25919 6070 1 10 . 1 1 51 51 LYS HA H 51 4.570 4.570 4.232 0.338 25919 6071 1 10 . 1 1 51 51 LYS CA C 51 54.997 54.997 55.517 -0.520 25919 6072 1 10 . 1 1 51 51 LYS CB C 51 32.700 32.700 34.314 -1.614 25919 6073 1 10 . 1 1 51 51 LYS H H 51 7.192 7.192 7.635 -0.443 25919 6074 1 10 . 1 1 52 52 PHE N N 52 121.816 121.816 120.404 1.412 25919 6075 1 10 . 1 1 52 52 PHE HA H 52 5.503 5.503 4.912 0.591 25919 6076 1 10 . 1 1 52 52 PHE CA C 52 56.104 56.104 55.709 0.395 25919 6077 1 10 . 1 1 52 52 PHE CB C 52 43.188 43.188 41.391 1.797 25919 6078 1 10 . 1 1 52 52 PHE H H 52 9.466 9.466 8.679 0.787 25919 6079 1 10 . 1 1 53 53 LEU N N 53 120.846 120.846 121.728 -0.882 25919 6080 1 10 . 1 1 53 53 LEU HA H 53 5.135 5.135 5.265 -0.130 25919 6081 1 10 . 1 1 53 53 LEU C C 53 175.042 175.042 175.641 -0.599 25919 6082 1 10 . 1 1 53 53 LEU CA C 53 52.916 52.916 53.203 -0.287 25919 6083 1 10 . 1 1 53 53 LEU CB C 53 45.242 45.242 45.869 -0.627 25919 6084 1 10 . 1 1 53 53 LEU H H 53 8.608 8.608 8.399 0.209 25919 6085 1 10 . 1 1 54 54 VAL N N 54 123.773 123.773 121.507 2.266 25919 6086 1 10 . 1 1 54 54 VAL HA H 54 4.755 4.755 4.588 0.167 25919 6087 1 10 . 1 1 54 54 VAL CA C 54 58.622 58.622 58.835 -0.213 25919 6088 1 10 . 1 1 54 54 VAL CB C 54 35.150 35.150 34.583 0.567 25919 6089 1 10 . 1 1 54 54 VAL H H 54 8.801 8.801 8.464 0.337 25919 6090 1 10 . 1 1 55 55 PRO HA H 55 4.435 4.435 4.655 -0.220 25919 6091 1 10 . 1 1 55 55 PRO C C 55 176.427 176.427 178.007 -1.580 25919 6092 1 10 . 1 1 55 55 PRO CA C 55 64.298 64.298 62.789 1.509 25919 6093 1 10 . 1 1 55 55 PRO CB C 55 32.822 32.822 32.093 0.729 25919 6094 1 10 . 1 1 56 56 ASP N N 56 121.214 121.214 124.621 -3.407 25919 6095 1 10 . 1 1 56 56 ASP HA H 56 3.880 3.880 4.259 -0.379 25919 6096 1 10 . 1 1 56 56 ASP CA C 56 56.742 56.742 57.452 -0.710 25919 6097 1 10 . 1 1 56 56 ASP CB C 56 40.481 40.481 40.240 0.241 25919 6098 1 10 . 1 1 56 56 ASP H H 56 8.336 8.336 8.915 -0.579 25919 6099 1 10 . 1 1 57 57 HIS N N 57 114.277 114.277 117.157 -2.880 25919 6100 1 10 . 1 1 57 57 HIS HA H 57 4.772 4.772 4.489 0.283 25919 6101 1 10 . 1 1 57 57 HIS C C 57 174.806 174.806 175.939 -1.133 25919 6102 1 10 . 1 1 57 57 HIS CA C 57 55.688 55.688 57.579 -1.891 25919 6103 1 10 . 1 1 57 57 HIS CB C 57 30.450 30.450 29.529 0.921 25919 6104 1 10 . 1 1 57 57 HIS H H 57 7.464 7.464 8.358 -0.894 25919 6105 1 10 . 1 1 58 58 VAL N N 58 123.531 123.531 121.760 1.771 25919 6106 1 10 . 1 1 58 58 VAL HA H 58 3.909 3.909 3.889 0.020 25919 6107 1 10 . 1 1 58 58 VAL C C 58 177.148 177.148 175.297 1.851 25919 6108 1 10 . 1 1 58 58 VAL CA C 58 62.900 62.900 63.248 -0.347 25919 6109 1 10 . 1 1 58 58 VAL CB C 58 32.320 32.320 31.758 0.562 25919 6110 1 10 . 1 1 58 58 VAL H H 58 7.261 7.261 7.787 -0.526 25919 6111 1 10 . 1 1 59 59 ASN N N 59 124.147 124.147 126.041 -1.894 25919 6112 1 10 . 1 1 59 59 ASN HA H 59 5.174 5.174 5.003 0.171 25919 6113 1 10 . 1 1 59 59 ASN C C 59 175.176 175.176 177.082 -1.906 25919 6114 1 10 . 1 1 59 59 ASN CA C 59 51.374 51.374 52.522 -1.148 25919 6115 1 10 . 1 1 59 59 ASN CB C 59 40.038 40.038 39.488 0.550 25919 6116 1 10 . 1 1 59 59 ASN H H 59 8.819 8.819 8.720 0.099 25919 6117 1 10 . 1 1 60 60 MET N N 60 117.583 117.583 121.424 -3.841 25919 6118 1 10 . 1 1 60 60 MET HA H 60 4.425 4.425 4.178 0.247 25919 6119 1 10 . 1 1 60 60 MET CA C 60 57.271 57.271 57.988 -0.717 25919 6120 1 10 . 1 1 60 60 MET CB C 60 30.063 30.063 31.368 -1.305 25919 6121 1 10 . 1 1 60 60 MET H H 60 8.023 8.023 8.906 -0.883 25919 6122 1 10 . 1 1 61 61 SER N N 61 115.027 115.027 114.414 0.613 25919 6123 1 10 . 1 1 61 61 SER HA H 61 4.138 4.138 4.150 -0.012 25919 6124 1 10 . 1 1 61 61 SER C C 61 178.809 178.809 176.830 1.979 25919 6125 1 10 . 1 1 61 61 SER CA C 61 61.553 61.553 61.343 0.210 25919 6126 1 10 . 1 1 61 61 SER CB C 61 62.581 62.581 62.835 -0.254 25919 6127 1 10 . 1 1 61 61 SER H H 61 8.350 8.350 7.959 0.391 25919 6128 1 10 . 1 1 62 62 GLU N N 62 123.657 123.657 123.332 0.325 25919 6129 1 10 . 1 1 62 62 GLU HA H 62 3.979 3.979 4.142 -0.163 25919 6130 1 10 . 1 1 62 62 GLU C C 62 176.456 176.456 178.428 -1.972 25919 6131 1 10 . 1 1 62 62 GLU CA C 62 58.726 58.726 58.803 -0.077 25919 6132 1 10 . 1 1 62 62 GLU CB C 62 29.700 29.700 29.334 0.366 25919 6133 1 10 . 1 1 62 62 GLU H H 62 7.994 7.994 8.000 -0.006 25919 6134 1 10 . 1 1 63 63 LEU N N 63 121.225 121.225 121.288 -0.063 25919 6135 1 10 . 1 1 63 63 LEU HA H 63 3.949 3.949 4.119 -0.170 25919 6136 1 10 . 1 1 63 63 LEU C C 63 178.113 178.113 178.750 -0.637 25919 6137 1 10 . 1 1 63 63 LEU CA C 63 57.860 57.860 58.191 -0.331 25919 6138 1 10 . 1 1 63 63 LEU CB C 63 41.526 41.526 41.969 -0.444 25919 6139 1 10 . 1 1 63 63 LEU H H 63 8.223 8.223 8.374 -0.151 25919 6140 1 10 . 1 1 64 64 ILE N N 64 119.273 119.273 119.083 0.190 25919 6141 1 10 . 1 1 64 64 ILE HA H 64 3.375 3.375 3.628 -0.253 25919 6142 1 10 . 1 1 64 64 ILE CA C 64 66.723 66.723 65.642 1.081 25919 6143 1 10 . 1 1 64 64 ILE CB C 64 38.161 38.161 37.603 0.558 25919 6144 1 10 . 1 1 64 64 ILE H H 64 8.301 8.301 8.478 -0.177 25919 6145 1 10 . 1 1 65 65 LYS N N 65 119.143 119.143 120.192 -1.049 25919 6146 1 10 . 1 1 65 65 LYS HA H 65 3.703 3.703 3.854 -0.151 25919 6147 1 10 . 1 1 65 65 LYS C C 65 173.869 173.869 178.587 -4.718 25919 6148 1 10 . 1 1 65 65 LYS CA C 65 60.451 60.451 60.300 0.151 25919 6149 1 10 . 1 1 65 65 LYS CB C 65 32.300 32.300 32.207 0.093 25919 6150 1 10 . 1 1 65 65 LYS H H 65 7.300 7.300 8.089 -0.789 25919 6151 1 10 . 1 1 66 66 ILE N N 66 120.527 120.527 121.320 -0.793 25919 6152 1 10 . 1 1 66 66 ILE HA H 66 3.541 3.541 3.760 -0.219 25919 6153 1 10 . 1 1 66 66 ILE C C 66 176.459 176.459 177.474 -1.015 25919 6154 1 10 . 1 1 66 66 ILE CA C 66 65.290 65.290 64.231 1.059 25919 6155 1 10 . 1 1 66 66 ILE CB C 66 38.254 38.254 37.763 0.491 25919 6156 1 10 . 1 1 66 66 ILE H H 66 8.048 8.048 7.677 0.371 25919 6157 1 10 . 1 1 67 67 ILE N N 67 121.527 121.527 120.953 0.574 25919 6158 1 10 . 1 1 67 67 ILE HA H 67 3.336 3.336 3.525 -0.189 25919 6159 1 10 . 1 1 67 67 ILE C C 67 178.102 178.102 178.045 0.057 25919 6160 1 10 . 1 1 67 67 ILE CA C 67 63.952 63.952 64.252 -0.300 25919 6161 1 10 . 1 1 67 67 ILE CB C 67 35.891 35.891 36.364 -0.473 25919 6162 1 10 . 1 1 67 67 ILE H H 67 8.308 8.308 7.973 0.335 25919 6163 1 10 . 1 1 68 68 ARG N N 68 119.384 119.384 120.157 -0.773 25919 6164 1 10 . 1 1 68 68 ARG HA H 68 2.970 2.970 3.314 -0.344 25919 6165 1 10 . 1 1 68 68 ARG C C 68 172.723 172.723 178.120 -5.397 25919 6166 1 10 . 1 1 68 68 ARG CA C 68 60.704 60.704 59.880 0.824 25919 6167 1 10 . 1 1 68 68 ARG CB C 68 30.320 30.320 29.911 0.409 25919 6168 1 10 . 1 1 68 68 ARG H H 68 8.336 8.336 8.461 -0.125 25919 6169 1 10 . 1 1 69 69 ARG N N 69 117.648 117.648 118.633 -0.985 25919 6170 1 10 . 1 1 69 69 ARG HA H 69 4.138 4.138 4.032 0.106 25919 6171 1 10 . 1 1 69 69 ARG C C 69 172.480 172.480 179.518 -7.038 25919 6172 1 10 . 1 1 69 69 ARG CA C 69 58.645 58.645 58.117 0.528 25919 6173 1 10 . 1 1 69 69 ARG CB C 69 29.779 29.779 29.655 0.124 25919 6174 1 10 . 1 1 69 69 ARG H H 69 7.432 7.432 8.243 -0.811 25919 6175 1 10 . 1 1 70 70 ARG N N 70 124.006 124.006 118.994 5.012 25919 6176 1 10 . 1 1 70 70 ARG HA H 70 4.074 4.074 4.070 0.004 25919 6177 1 10 . 1 1 70 70 ARG C C 70 178.799 178.799 178.275 0.524 25919 6178 1 10 . 1 1 70 70 ARG CA C 70 58.385 58.385 57.831 0.554 25919 6179 1 10 . 1 1 70 70 ARG CB C 70 30.043 30.043 29.798 0.245 25919 6180 1 10 . 1 1 70 70 ARG H H 70 8.212 8.212 8.289 -0.077 25919 6181 1 10 . 1 1 71 71 LEU N N 71 117.764 117.764 117.250 0.514 25919 6182 1 10 . 1 1 71 71 LEU HA H 71 4.085 4.085 4.109 -0.024 25919 6183 1 10 . 1 1 71 71 LEU CA C 71 55.063 55.063 55.010 0.053 25919 6184 1 10 . 1 1 71 71 LEU CB C 71 43.100 43.100 41.661 1.439 25919 6185 1 10 . 1 1 71 71 LEU H H 71 7.750 7.750 7.893 -0.143 25919 6186 1 10 . 1 1 72 72 GLN N N 72 115.522 115.522 111.866 3.656 25919 6187 1 10 . 1 1 72 72 GLN HA H 72 3.839 3.839 3.907 -0.068 25919 6188 1 10 . 1 1 72 72 GLN C C 72 175.744 175.744 175.347 0.397 25919 6189 1 10 . 1 1 72 72 GLN CA C 72 56.409 56.409 56.552 -0.143 25919 6190 1 10 . 1 1 72 72 GLN CB C 72 25.959 25.959 25.428 0.531 25919 6191 1 10 . 1 1 72 72 GLN H H 72 7.751 7.751 7.541 0.210 25919 6192 1 10 . 1 1 73 73 LEU N N 73 115.900 115.900 120.967 -5.067 25919 6193 1 10 . 1 1 73 73 LEU HA H 73 4.254 4.254 4.160 0.094 25919 6194 1 10 . 1 1 73 73 LEU C C 73 178.568 178.568 175.968 2.600 25919 6195 1 10 . 1 1 73 73 LEU CA C 73 54.468 54.468 54.624 -0.156 25919 6196 1 10 . 1 1 73 73 LEU CB C 73 42.050 42.050 41.121 0.929 25919 6197 1 10 . 1 1 73 73 LEU H H 73 7.573 7.573 7.628 -0.055 25919 6198 1 10 . 1 1 74 74 ASN N N 74 122.154 122.154 122.564 -0.410 25919 6199 1 10 . 1 1 74 74 ASN HA H 74 4.684 4.684 4.644 0.040 25919 6200 1 10 . 1 1 74 74 ASN C C 74 174.122 174.122 176.745 -2.623 25919 6201 1 10 . 1 1 74 74 ASN CA C 74 52.724 52.724 52.910 -0.186 25919 6202 1 10 . 1 1 74 74 ASN CB C 74 39.579 39.579 39.840 -0.261 25919 6203 1 10 . 1 1 74 74 ASN H H 74 8.949 8.949 8.351 0.598 25919 6204 1 10 . 1 1 75 75 ALA N N 75 124.274 124.274 123.126 1.148 25919 6205 1 10 . 1 1 75 75 ALA HA H 75 3.972 3.972 4.065 -0.093 25919 6206 1 10 . 1 1 75 75 ALA C C 75 178.113 178.113 178.403 -0.290 25919 6207 1 10 . 1 1 75 75 ALA CA C 75 54.900 54.900 54.735 0.165 25919 6208 1 10 . 1 1 75 75 ALA CB C 75 18.708 18.708 18.803 -0.095 25919 6209 1 10 . 1 1 75 75 ALA H H 75 8.690 8.690 8.574 0.116 25919 6210 1 10 . 1 1 76 76 ASN N N 76 112.911 112.911 114.836 -1.925 25919 6211 1 10 . 1 1 76 76 ASN HA H 76 4.589 4.589 4.620 -0.031 25919 6212 1 10 . 1 1 76 76 ASN C C 76 175.515 175.515 175.510 0.005 25919 6213 1 10 . 1 1 76 76 ASN CA C 76 53.276 53.276 54.166 -0.890 25919 6214 1 10 . 1 1 76 76 ASN CB C 76 38.343 38.343 38.591 -0.248 25919 6215 1 10 . 1 1 76 76 ASN H H 76 8.340 8.340 8.058 0.282 25919 6216 1 10 . 1 1 77 77 GLN N N 77 121.144 121.144 119.560 1.584 25919 6217 1 10 . 1 1 77 77 GLN HA H 77 4.287 4.287 4.401 -0.114 25919 6218 1 10 . 1 1 77 77 GLN C C 77 175.053 175.053 175.580 -0.527 25919 6219 1 10 . 1 1 77 77 GLN CA C 77 55.856 55.856 54.928 0.928 25919 6220 1 10 . 1 1 77 77 GLN CB C 77 30.320 30.320 29.124 1.196 25919 6221 1 10 . 1 1 77 77 GLN H H 77 7.546 7.546 7.622 -0.076 25919 6222 1 10 . 1 1 78 78 ALA N N 78 131.146 131.146 127.259 3.887 25919 6223 1 10 . 1 1 78 78 ALA HA H 78 4.179 4.179 4.372 -0.193 25919 6224 1 10 . 1 1 78 78 ALA C C 78 176.453 176.453 176.213 0.240 25919 6225 1 10 . 1 1 78 78 ALA CA C 78 52.852 52.852 52.354 0.498 25919 6226 1 10 . 1 1 78 78 ALA CB C 78 20.074 20.074 19.451 0.622 25919 6227 1 10 . 1 1 78 78 ALA H H 78 8.730 8.730 8.486 0.244 25919 6228 1 10 . 1 1 79 79 PHE N N 79 119.860 119.860 125.193 -5.333 25919 6229 1 10 . 1 1 79 79 PHE HA H 79 4.453 4.453 5.311 -0.858 25919 6230 1 10 . 1 1 79 79 PHE C C 79 171.834 171.834 173.255 -1.421 25919 6231 1 10 . 1 1 79 79 PHE CA C 79 59.115 59.115 57.328 1.787 25919 6232 1 10 . 1 1 79 79 PHE CB C 79 42.246 42.246 42.668 -0.422 25919 6233 1 10 . 1 1 79 79 PHE H H 79 7.601 7.601 8.267 -0.666 25919 6234 1 10 . 1 1 80 80 PHE N N 80 126.800 126.800 124.589 2.211 25919 6235 1 10 . 1 1 80 80 PHE HA H 80 4.396 4.396 4.403 -0.007 25919 6236 1 10 . 1 1 80 80 PHE C C 80 173.169 173.169 173.117 0.052 25919 6237 1 10 . 1 1 80 80 PHE CA C 80 56.859 56.859 56.595 0.264 25919 6238 1 10 . 1 1 80 80 PHE CB C 80 41.946 41.946 43.840 -1.894 25919 6239 1 10 . 1 1 80 80 PHE H H 80 8.504 8.504 8.910 -0.406 25919 6240 1 10 . 1 1 81 81 LEU N N 81 122.590 122.590 125.606 -3.016 25919 6241 1 10 . 1 1 81 81 LEU HA H 81 4.902 4.902 4.697 0.205 25919 6242 1 10 . 1 1 81 81 LEU CA C 81 53.108 53.108 54.017 -0.909 25919 6243 1 10 . 1 1 81 81 LEU CB C 81 45.781 45.781 42.306 3.475 25919 6244 1 10 . 1 1 81 81 LEU H H 81 8.159 8.159 8.456 -0.297 25919 6245 1 10 . 1 1 82 82 LEU N N 82 126.414 126.414 127.230 -0.816 25919 6246 1 10 . 1 1 82 82 LEU HA H 82 4.807 4.807 4.699 0.108 25919 6247 1 10 . 1 1 82 82 LEU C C 82 174.204 174.204 176.717 -2.513 25919 6248 1 10 . 1 1 82 82 LEU CA C 82 54.200 54.200 54.105 0.095 25919 6249 1 10 . 1 1 82 82 LEU CB C 82 43.650 43.650 41.470 2.180 25919 6250 1 10 . 1 1 82 82 LEU H H 82 9.347 9.347 9.097 0.250 25919 6251 1 10 . 1 1 83 83 VAL N N 83 123.910 123.910 127.063 -3.153 25919 6252 1 10 . 1 1 83 83 VAL HA H 83 4.466 4.466 4.117 0.349 25919 6253 1 10 . 1 1 83 83 VAL C C 83 175.891 175.891 176.664 -0.773 25919 6254 1 10 . 1 1 83 83 VAL CA C 83 61.339 61.339 63.541 -2.202 25919 6255 1 10 . 1 1 83 83 VAL CB C 83 34.013 34.013 31.387 2.626 25919 6256 1 10 . 1 1 83 83 VAL H H 83 8.676 8.676 8.740 -0.064 25919 6257 1 10 . 1 1 84 84 ASN N N 84 127.149 127.149 126.886 0.263 25919 6258 1 10 . 1 1 84 84 ASN HA H 84 4.384 4.384 4.452 -0.068 25919 6259 1 10 . 1 1 84 84 ASN CA C 84 54.494 54.494 54.634 -0.140 25919 6260 1 10 . 1 1 84 84 ASN CB C 84 37.933 37.933 36.404 1.529 25919 6261 1 10 . 1 1 84 84 ASN H H 84 9.630 9.630 9.447 0.183 25919 6262 1 10 . 1 1 85 85 GLY N N 85 101.905 101.905 102.313 -0.408 25919 6263 1 10 . 1 1 85 85 GLY C C 85 175.112 175.112 173.545 1.567 25919 6264 1 10 . 1 1 85 85 GLY CA C 85 45.624 45.624 45.436 0.188 25919 6265 1 10 . 1 1 85 85 GLY H H 85 8.670 8.670 7.916 0.754 25919 6266 1 10 . 1 1 86 86 HIS N N 86 117.905 117.905 119.228 -1.323 25919 6267 1 10 . 1 1 86 86 HIS HA H 86 5.039 5.039 4.927 0.112 25919 6268 1 10 . 1 1 86 86 HIS CA C 86 53.890 53.890 53.972 -0.082 25919 6269 1 10 . 1 1 86 86 HIS CB C 86 30.888 30.888 32.788 -1.900 25919 6270 1 10 . 1 1 86 86 HIS H H 86 7.927 7.927 7.932 -0.005 25919 6271 1 10 . 1 1 87 87 SER N N 87 118.646 118.646 117.752 0.894 25919 6272 1 10 . 1 1 87 87 SER HA H 87 4.397 4.397 4.482 -0.085 25919 6273 1 10 . 1 1 87 87 SER C C 87 175.275 175.275 174.702 0.573 25919 6274 1 10 . 1 1 87 87 SER CA C 87 58.414 58.414 58.943 -0.529 25919 6275 1 10 . 1 1 87 87 SER CB C 87 63.772 63.772 63.681 0.091 25919 6276 1 10 . 1 1 87 87 SER H H 87 8.927 8.927 8.905 0.022 25919 6277 1 10 . 1 1 88 88 MET N N 88 126.013 126.013 126.999 -0.986 25919 6278 1 10 . 1 1 88 88 MET HA H 88 4.851 4.851 4.792 0.059 25919 6279 1 10 . 1 1 88 88 MET C C 88 178.796 178.796 176.804 1.992 25919 6280 1 10 . 1 1 88 88 MET CA C 88 54.727 54.727 55.220 -0.493 25919 6281 1 10 . 1 1 88 88 MET CB C 88 33.309 33.309 33.797 -0.488 25919 6282 1 10 . 1 1 88 88 MET H H 88 9.088 9.088 9.172 -0.084 25919 6283 1 10 . 1 1 89 89 VAL N N 89 121.153 121.153 120.271 0.882 25919 6284 1 10 . 1 1 89 89 VAL HA H 89 4.057 4.057 3.785 0.272 25919 6285 1 10 . 1 1 89 89 VAL C C 89 176.695 176.695 176.282 0.413 25919 6286 1 10 . 1 1 89 89 VAL CA C 89 63.592 63.592 65.871 -2.279 25919 6287 1 10 . 1 1 89 89 VAL CB C 89 32.422 32.422 31.017 1.405 25919 6288 1 10 . 1 1 89 89 VAL H H 89 8.144 8.144 7.490 0.654 25919 6289 1 10 . 1 1 90 90 SER N N 90 116.778 116.778 112.430 4.348 25919 6290 1 10 . 1 1 90 90 SER HA H 90 4.561 4.561 4.437 0.124 25919 6291 1 10 . 1 1 90 90 SER C C 90 173.898 173.898 175.111 -1.213 25919 6292 1 10 . 1 1 90 90 SER CA C 90 57.895 57.895 57.828 0.067 25919 6293 1 10 . 1 1 90 90 SER CB C 90 63.133 63.133 63.431 -0.298 25919 6294 1 10 . 1 1 90 90 SER H H 90 8.322 8.322 7.884 0.438 25919 6295 1 10 . 1 1 91 91 VAL N N 91 120.735 120.735 123.591 -2.856 25919 6296 1 10 . 1 1 91 91 VAL HA H 91 4.286 4.286 4.151 0.135 25919 6297 1 10 . 1 1 91 91 VAL CA C 91 62.846 62.846 61.981 0.865 25919 6298 1 10 . 1 1 91 91 VAL CB C 91 32.069 32.069 34.103 -2.034 25919 6299 1 10 . 1 1 91 91 VAL H H 91 8.036 8.036 7.450 0.586 25919 6300 1 10 . 1 1 92 92 SER N N 92 118.146 118.146 122.592 -4.446 25919 6301 1 10 . 1 1 92 92 SER HA H 92 4.549 4.549 4.475 0.074 25919 6302 1 10 . 1 1 92 92 SER CA C 92 57.813 57.813 58.813 -1.000 25919 6303 1 10 . 1 1 92 92 SER CB C 92 63.488 63.488 63.237 0.251 25919 6304 1 10 . 1 1 92 92 SER H H 92 8.470 8.470 8.550 -0.080 25919 6305 1 10 . 1 1 93 93 THR N N 93 119.747 119.747 119.233 0.514 25919 6306 1 10 . 1 1 93 93 THR HA H 93 4.467 4.467 4.335 0.132 25919 6307 1 10 . 1 1 93 93 THR CA C 93 61.005 61.005 61.759 -0.754 25919 6308 1 10 . 1 1 93 93 THR CB C 93 70.592 70.592 68.387 2.205 25919 6309 1 10 . 1 1 93 93 THR H H 93 7.382 7.382 7.691 -0.309 25919 6310 1 10 . 1 1 94 94 PRO HA H 94 4.424 4.424 4.552 -0.128 25919 6311 1 10 . 1 1 94 94 PRO CA C 94 63.060 63.060 62.539 0.521 25919 6312 1 10 . 1 1 94 94 PRO CB C 94 32.798 32.798 32.348 0.450 25919 6313 1 10 . 1 1 95 95 ILE N N 95 124.894 124.894 125.068 -0.174 25919 6314 1 10 . 1 1 95 95 ILE HA H 95 3.984 3.984 3.846 0.138 25919 6315 1 10 . 1 1 95 95 ILE CA C 95 63.963 63.963 62.636 1.327 25919 6316 1 10 . 1 1 95 95 ILE CB C 95 38.200 38.200 38.131 0.069 25919 6317 1 10 . 1 1 95 95 ILE H H 95 9.358 9.358 8.688 0.670 25919 6318 1 10 . 1 1 96 96 SER N N 96 117.523 117.523 115.689 1.834 25919 6319 1 10 . 1 1 96 96 SER HA H 96 4.004 4.004 4.108 -0.104 25919 6320 1 10 . 1 1 96 96 SER CA C 96 61.700 61.700 62.160 -0.460 25919 6321 1 10 . 1 1 96 96 SER CB C 96 61.400 61.400 62.865 -1.465 25919 6322 1 10 . 1 1 96 96 SER H H 96 8.202 8.202 7.824 0.378 25919 6323 1 10 . 1 1 97 97 GLU N N 97 123.657 123.657 121.841 1.816 25919 6324 1 10 . 1 1 97 97 GLU HA H 97 4.282 4.282 4.110 0.172 25919 6325 1 10 . 1 1 97 97 GLU CA C 97 58.700 58.700 58.992 -0.292 25919 6326 1 10 . 1 1 97 97 GLU CB C 97 29.800 29.800 29.258 0.542 25919 6327 1 10 . 1 1 97 97 GLU H H 97 7.301 7.301 7.681 -0.380 25919 6328 1 10 . 1 1 98 98 VAL N N 98 121.907 121.907 120.251 1.656 25919 6329 1 10 . 1 1 98 98 VAL HA H 98 3.797 3.797 3.601 0.196 25919 6330 1 10 . 1 1 98 98 VAL CA C 98 65.949 65.949 66.584 -0.635 25919 6331 1 10 . 1 1 98 98 VAL CB C 98 32.186 32.186 31.566 0.620 25919 6332 1 10 . 1 1 98 98 VAL H H 98 7.410 7.410 7.419 -0.009 25919 6333 1 10 . 1 1 99 99 TYR N N 99 119.526 119.526 120.974 -1.448 25919 6334 1 10 . 1 1 99 99 TYR HA H 99 4.016 4.016 3.937 0.079 25919 6335 1 10 . 1 1 99 99 TYR C C 99 175.741 175.741 177.494 -1.753 25919 6336 1 10 . 1 1 99 99 TYR CA C 99 62.229 62.229 62.019 0.210 25919 6337 1 10 . 1 1 99 99 TYR CB C 99 38.967 38.967 38.541 0.426 25919 6338 1 10 . 1 1 99 99 TYR H H 99 9.071 9.071 8.600 0.471 25919 6339 1 10 . 1 1 100 100 GLU N N 100 114.405 114.405 117.107 -2.702 25919 6340 1 10 . 1 1 100 100 GLU HA H 100 3.850 3.850 3.447 0.403 25919 6341 1 10 . 1 1 100 100 GLU C C 100 178.094 178.094 179.252 -1.158 25919 6342 1 10 . 1 1 100 100 GLU CA C 100 58.920 58.920 58.948 -0.028 25919 6343 1 10 . 1 1 100 100 GLU CB C 100 29.481 29.481 28.710 0.771 25919 6344 1 10 . 1 1 100 100 GLU H H 100 7.342 7.342 8.250 -0.908 25919 6345 1 10 . 1 1 101 101 SER N N 101 109.656 109.656 114.418 -4.762 25919 6346 1 10 . 1 1 101 101 SER HA H 101 4.529 4.529 4.288 0.241 25919 6347 1 10 . 1 1 101 101 SER C C 101 176.681 176.681 176.253 0.428 25919 6348 1 10 . 1 1 101 101 SER CA C 101 60.313 60.313 60.831 -0.518 25919 6349 1 10 . 1 1 101 101 SER CB C 101 64.703 64.703 63.344 1.359 25919 6350 1 10 . 1 1 101 101 SER H H 101 7.410 7.410 7.686 -0.276 25919 6351 1 10 . 1 1 102 102 GLU N N 102 117.283 117.283 118.796 -1.513 25919 6352 1 10 . 1 1 102 102 GLU HA H 102 4.721 4.721 4.611 0.110 25919 6353 1 10 . 1 1 102 102 GLU CA C 102 55.592 55.592 55.464 0.128 25919 6354 1 10 . 1 1 102 102 GLU CB C 102 30.564 30.564 30.429 0.135 25919 6355 1 10 . 1 1 102 102 GLU H H 102 8.500 8.500 7.970 0.530 25919 6356 1 10 . 1 1 103 103 LYS N N 103 118.772 118.772 119.912 -1.140 25919 6357 1 10 . 1 1 103 103 LYS HA H 103 4.179 4.179 4.324 -0.145 25919 6358 1 10 . 1 1 103 103 LYS C C 103 175.032 175.032 176.472 -1.440 25919 6359 1 10 . 1 1 103 103 LYS CA C 103 57.154 57.154 56.903 0.251 25919 6360 1 10 . 1 1 103 103 LYS CB C 103 32.238 32.238 32.307 -0.069 25919 6361 1 10 . 1 1 103 103 LYS H H 103 7.777 7.777 7.785 -0.008 25919 6362 1 10 . 1 1 104 104 ASP N N 104 124.024 124.024 124.229 -0.205 25919 6363 1 10 . 1 1 104 104 ASP HA H 104 5.032 5.032 4.886 0.146 25919 6364 1 10 . 1 1 104 104 ASP C C 104 177.548 177.548 178.054 -0.506 25919 6365 1 10 . 1 1 104 104 ASP CA C 104 53.882 53.882 52.290 1.592 25919 6366 1 10 . 1 1 104 104 ASP CB C 104 43.420 43.420 43.602 -0.182 25919 6367 1 10 . 1 1 104 104 ASP H H 104 9.030 9.030 8.932 0.098 25919 6368 1 10 . 1 1 105 105 GLU N N 105 125.669 125.669 118.930 6.739 25919 6369 1 10 . 1 1 105 105 GLU HA H 105 4.179 4.179 4.243 -0.064 25919 6370 1 10 . 1 1 105 105 GLU CA C 105 59.526 59.526 58.935 0.591 25919 6371 1 10 . 1 1 105 105 GLU CB C 105 30.036 30.036 29.325 0.711 25919 6372 1 10 . 1 1 105 105 GLU H H 105 8.894 8.894 9.000 -0.106 25919 6373 1 10 . 1 1 106 106 ASP N N 106 119.257 119.257 116.308 2.949 25919 6374 1 10 . 1 1 106 106 ASP HA H 106 4.180 4.180 4.656 -0.476 25919 6375 1 10 . 1 1 106 106 ASP C C 106 176.018 176.018 177.203 -1.185 25919 6376 1 10 . 1 1 106 106 ASP CA C 106 54.750 54.750 55.798 -1.048 25919 6377 1 10 . 1 1 106 106 ASP CB C 106 40.250 40.250 41.390 -1.140 25919 6378 1 10 . 1 1 106 106 ASP H H 106 9.838 9.838 8.524 1.314 25919 6379 1 10 . 1 1 107 107 GLY N N 107 106.307 106.307 106.612 -0.305 25919 6380 1 10 . 1 1 107 107 GLY CA C 107 45.125 45.125 45.957 -0.832 25919 6381 1 10 . 1 1 107 107 GLY H H 107 7.945 7.945 8.530 -0.585 25919 6382 1 10 . 1 1 108 108 PHE N N 108 124.389 124.389 118.699 5.690 25919 6383 1 10 . 1 1 108 108 PHE HA H 108 4.670 4.670 5.088 -0.418 25919 6384 1 10 . 1 1 108 108 PHE C C 108 179.501 179.501 174.976 4.525 25919 6385 1 10 . 1 1 108 108 PHE CA C 108 60.288 60.288 56.706 3.582 25919 6386 1 10 . 1 1 108 108 PHE CB C 108 40.506 40.506 41.978 -1.472 25919 6387 1 10 . 1 1 108 108 PHE H H 108 9.739 9.739 7.673 2.066 25919 6388 1 10 . 1 1 109 109 LEU N N 109 120.814 120.814 121.349 -0.535 25919 6389 1 10 . 1 1 109 109 LEU HA H 109 5.038 5.038 4.658 0.380 25919 6390 1 10 . 1 1 109 109 LEU CA C 109 53.479 53.479 54.398 -0.919 25919 6391 1 10 . 1 1 109 109 LEU CB C 109 45.197 45.197 44.046 1.151 25919 6392 1 10 . 1 1 109 109 LEU H H 109 7.968 7.968 8.692 -0.724 25919 6393 1 10 . 1 1 110 110 TYR N N 110 127.403 127.403 122.808 4.595 25919 6394 1 10 . 1 1 110 110 TYR HA H 110 4.907 4.907 5.096 -0.189 25919 6395 1 10 . 1 1 110 110 TYR CA C 110 59.259 59.259 57.668 1.591 25919 6396 1 10 . 1 1 110 110 TYR CB C 110 39.469 39.469 40.790 -1.321 25919 6397 1 10 . 1 1 110 110 TYR H H 110 9.349 9.349 8.365 0.984 25919 6398 1 10 . 1 1 111 111 MET N N 111 120.344 120.344 122.220 -1.876 25919 6399 1 10 . 1 1 111 111 MET HA H 111 5.543 5.543 5.192 0.351 25919 6400 1 10 . 1 1 111 111 MET CA C 111 54.341 54.341 54.464 -0.123 25919 6401 1 10 . 1 1 111 111 MET CB C 111 36.894 36.894 35.325 1.569 25919 6402 1 10 . 1 1 111 111 MET H H 111 9.575 9.575 9.450 0.125 25919 6403 1 10 . 1 1 112 112 VAL N N 112 121.026 121.026 125.418 -4.392 25919 6404 1 10 . 1 1 112 112 VAL HA H 112 5.938 5.938 4.694 1.244 25919 6405 1 10 . 1 1 112 112 VAL C C 112 176.696 176.696 175.400 1.296 25919 6406 1 10 . 1 1 112 112 VAL CA C 112 59.068 59.068 61.924 -2.856 25919 6407 1 10 . 1 1 112 112 VAL CB C 112 36.180 36.180 31.661 4.519 25919 6408 1 10 . 1 1 112 112 VAL H H 112 8.730 8.730 9.115 -0.385 25919 6409 1 10 . 1 1 113 113 TYR N N 113 119.995 119.995 130.926 -10.931 25919 6410 1 10 . 1 1 113 113 TYR HA H 113 6.143 6.143 5.363 0.780 25919 6411 1 10 . 1 1 113 113 TYR C C 113 173.533 173.533 173.804 -0.271 25919 6412 1 10 . 1 1 113 113 TYR CA C 113 54.165 54.165 56.082 -1.917 25919 6413 1 10 . 1 1 113 113 TYR CB C 113 43.667 43.667 39.651 4.016 25919 6414 1 10 . 1 1 113 113 TYR H H 113 8.172 8.172 9.094 -0.922 25919 6415 1 10 . 1 1 114 114 ALA N N 114 120.454 120.454 129.975 -9.521 25919 6416 1 10 . 1 1 114 114 ALA HA H 114 4.750 4.750 4.714 0.036 25919 6417 1 10 . 1 1 114 114 ALA C C 114 176.007 176.007 176.059 -0.052 25919 6418 1 10 . 1 1 114 114 ALA CA C 114 51.356 51.356 50.858 0.498 25919 6419 1 10 . 1 1 114 114 ALA CB C 114 24.623 24.623 22.294 2.329 25919 6420 1 10 . 1 1 114 114 ALA H H 114 8.499 8.499 9.008 -0.509 25919 6421 1 10 . 1 1 115 115 SER N N 115 115.279 115.279 113.702 1.577 25919 6422 1 10 . 1 1 115 115 SER HA H 115 4.505 4.505 4.637 -0.132 25919 6423 1 10 . 1 1 115 115 SER C C 115 172.860 172.860 174.012 -1.152 25919 6424 1 10 . 1 1 115 115 SER CA C 115 58.837 58.837 59.972 -1.135 25919 6425 1 10 . 1 1 115 115 SER CB C 115 63.798 63.798 63.568 0.230 25919 6426 1 10 . 1 1 115 115 SER H H 115 9.823 9.823 8.972 0.851 25919 6427 1 10 . 1 1 116 116 GLN N N 116 117.398 117.398 116.287 1.111 25919 6428 1 10 . 1 1 116 116 GLN HA H 116 4.453 4.453 4.210 0.243 25919 6429 1 10 . 1 1 116 116 GLN C C 116 173.181 173.181 173.743 -0.562 25919 6430 1 10 . 1 1 116 116 GLN CA C 116 54.024 54.024 54.131 -0.107 25919 6431 1 10 . 1 1 116 116 GLN CB C 116 32.179 32.179 30.629 1.550 25919 6432 1 10 . 1 1 116 116 GLN H H 116 7.165 7.165 7.363 -0.198 25919 6433 1 10 . 1 1 117 117 GLU N N 117 118.885 118.885 117.916 0.969 25919 6434 1 10 . 1 1 117 117 GLU HA H 117 3.224 3.224 3.668 -0.444 25919 6435 1 10 . 1 1 117 117 GLU C C 117 175.451 175.451 175.400 0.051 25919 6436 1 10 . 1 1 117 117 GLU CA C 117 56.917 56.917 57.158 -0.241 25919 6437 1 10 . 1 1 117 117 GLU CB C 117 30.206 30.206 29.924 0.282 25919 6438 1 10 . 1 1 117 117 GLU H H 117 7.873 7.873 8.031 -0.158 25919 6439 1 10 . 1 1 118 118 THR N N 118 110.883 110.883 110.902 -0.019 25919 6440 1 10 . 1 1 118 118 THR HA H 118 4.074 4.074 4.337 -0.263 25919 6441 1 10 . 1 1 118 118 THR C C 118 173.234 173.234 172.818 0.416 25919 6442 1 10 . 1 1 118 118 THR CA C 118 60.300 60.300 61.125 -0.825 25919 6443 1 10 . 1 1 118 118 THR CB C 118 70.118 70.118 70.916 -0.798 25919 6444 1 10 . 1 1 118 118 THR H H 118 6.988 6.988 7.219 -0.231 25919 6445 1 10 . 1 1 119 119 PHE N N 119 122.773 122.773 122.893 -0.120 25919 6446 1 10 . 1 1 119 119 PHE HA H 119 4.397 4.397 4.703 -0.306 25919 6447 1 10 . 1 1 119 119 PHE C C 119 175.045 175.045 173.863 1.182 25919 6448 1 10 . 1 1 119 119 PHE CA C 119 56.810 56.810 57.952 -1.142 25919 6449 1 10 . 1 1 119 119 PHE CB C 119 39.349 39.349 41.986 -2.637 25919 6450 1 10 . 1 1 119 119 PHE H H 119 8.122 8.122 8.403 -0.281 25919 6451 1 11 . 1 1 2 2 PRO HA H 2 4.424 4.424 4.477 -0.053 25919 6452 1 11 . 1 1 2 2 PRO C C 2 176.917 176.917 176.036 0.881 25919 6453 1 11 . 1 1 2 2 PRO CA C 2 63.418 63.418 63.706 -0.288 25919 6454 1 11 . 1 1 2 2 PRO CB C 2 32.160 32.160 31.964 0.196 25919 6455 1 11 . 1 1 3 3 SER N N 3 116.273 116.273 118.592 -2.319 25919 6456 1 11 . 1 1 3 3 SER HA H 3 4.389 4.389 4.649 -0.260 25919 6457 1 11 . 1 1 3 3 SER C C 3 174.762 174.762 175.183 -0.421 25919 6458 1 11 . 1 1 3 3 SER CA C 3 58.472 58.472 56.719 1.753 25919 6459 1 11 . 1 1 3 3 SER CB C 3 63.913 63.913 64.358 -0.445 25919 6460 1 11 . 1 1 3 3 SER H H 3 8.366 8.366 8.137 0.229 25919 6461 1 11 . 1 1 4 4 GLU N N 4 123.959 123.959 120.193 3.766 25919 6462 1 11 . 1 1 4 4 GLU HA H 4 4.289 4.289 4.311 -0.022 25919 6463 1 11 . 1 1 4 4 GLU C C 4 176.545 176.545 176.991 -0.446 25919 6464 1 11 . 1 1 4 4 GLU CA C 4 56.785 56.785 58.529 -1.744 25919 6465 1 11 . 1 1 4 4 GLU CB C 4 30.200 30.200 29.934 0.266 25919 6466 1 11 . 1 1 4 4 GLU H H 4 8.513 8.513 8.659 -0.146 25919 6467 1 11 . 1 1 5 5 LYS N N 5 122.165 122.165 119.209 2.956 25919 6468 1 11 . 1 1 5 5 LYS HA H 5 4.508 4.508 4.371 0.137 25919 6469 1 11 . 1 1 5 5 LYS C C 5 177.178 177.178 176.236 0.942 25919 6470 1 11 . 1 1 5 5 LYS CA C 5 56.000 56.000 55.658 0.341 25919 6471 1 11 . 1 1 5 5 LYS CB C 5 34.758 34.758 32.936 1.822 25919 6472 1 11 . 1 1 5 5 LYS H H 5 8.198 8.198 7.551 0.647 25919 6473 1 11 . 1 1 6 6 THR N N 6 115.586 115.586 113.702 1.884 25919 6474 1 11 . 1 1 6 6 THR HA H 6 4.426 4.426 4.219 0.207 25919 6475 1 11 . 1 1 6 6 THR C C 6 175.570 175.570 176.271 -0.701 25919 6476 1 11 . 1 1 6 6 THR CA C 6 61.120 61.120 61.288 -0.168 25919 6477 1 11 . 1 1 6 6 THR CB C 6 69.871 69.871 69.891 -0.020 25919 6478 1 11 . 1 1 6 6 THR H H 6 8.423 8.423 8.067 0.356 25919 6479 1 11 . 1 1 7 7 PHE N N 7 126.100 126.100 118.401 7.699 25919 6480 1 11 . 1 1 7 7 PHE HA H 7 3.935 3.935 4.406 -0.471 25919 6481 1 11 . 1 1 7 7 PHE CA C 7 63.687 63.687 58.560 5.127 25919 6482 1 11 . 1 1 7 7 PHE CB C 7 39.656 39.656 37.709 1.946 25919 6483 1 11 . 1 1 7 7 PHE H H 7 10.276 10.276 8.380 1.896 25919 6484 1 11 . 1 1 8 8 LYS N N 8 115.026 115.026 122.605 -7.579 25919 6485 1 11 . 1 1 8 8 LYS HA H 8 3.800 3.800 4.371 -0.571 25919 6486 1 11 . 1 1 8 8 LYS CA C 8 59.944 59.944 57.622 2.322 25919 6487 1 11 . 1 1 8 8 LYS CB C 8 33.852 33.852 31.886 1.966 25919 6488 1 11 . 1 1 8 8 LYS H H 8 8.707 8.707 7.336 1.371 25919 6489 1 11 . 1 1 9 9 GLN N N 9 113.774 113.774 116.909 -3.135 25919 6490 1 11 . 1 1 9 9 GLN HA H 9 4.178 4.178 4.120 0.058 25919 6491 1 11 . 1 1 9 9 GLN C C 9 173.193 173.193 177.244 -4.051 25919 6492 1 11 . 1 1 9 9 GLN CA C 9 56.741 56.741 57.774 -1.033 25919 6493 1 11 . 1 1 9 9 GLN CB C 9 30.065 30.065 29.217 0.848 25919 6494 1 11 . 1 1 9 9 GLN H H 9 7.343 7.343 7.679 -0.336 25919 6495 1 11 . 1 1 10 10 ARG N N 10 119.156 119.156 116.824 2.332 25919 6496 1 11 . 1 1 10 10 ARG HA H 10 4.248 4.248 4.492 -0.244 25919 6497 1 11 . 1 1 10 10 ARG CA C 10 57.555 57.555 56.479 1.076 25919 6498 1 11 . 1 1 10 10 ARG CB C 10 31.771 31.771 32.668 -0.897 25919 6499 1 11 . 1 1 10 10 ARG H H 10 7.912 7.912 8.039 -0.127 25919 6500 1 11 . 1 1 11 11 ARG N N 11 120.777 120.777 120.376 0.401 25919 6501 1 11 . 1 1 11 11 ARG HA H 11 4.685 4.685 5.032 -0.347 25919 6502 1 11 . 1 1 11 11 ARG CA C 11 53.161 53.161 54.514 -1.353 25919 6503 1 11 . 1 1 11 11 ARG CB C 11 32.773 32.773 32.222 0.551 25919 6504 1 11 . 1 1 11 11 ARG H H 11 7.341 7.341 8.473 -1.132 25919 6505 1 11 . 1 1 12 12 THR N N 12 116.696 116.696 111.213 5.483 25919 6506 1 11 . 1 1 12 12 THR HA H 12 4.358 4.358 4.869 -0.511 25919 6507 1 11 . 1 1 12 12 THR C C 12 175.056 175.056 175.478 -0.422 25919 6508 1 11 . 1 1 12 12 THR CA C 12 61.795 61.795 59.138 2.657 25919 6509 1 11 . 1 1 12 12 THR CB C 12 71.050 71.050 72.005 -0.955 25919 6510 1 11 . 1 1 12 12 THR H H 12 8.855 8.855 8.090 0.765 25919 6511 1 11 . 1 1 13 13 PHE N N 13 123.894 123.894 122.297 1.597 25919 6512 1 11 . 1 1 13 13 PHE HA H 13 4.043 4.043 4.147 -0.104 25919 6513 1 11 . 1 1 13 13 PHE C C 13 176.234 176.234 176.637 -0.403 25919 6514 1 11 . 1 1 13 13 PHE CA C 13 62.947 62.947 62.661 0.286 25919 6515 1 11 . 1 1 13 13 PHE CB C 13 39.571 39.571 39.540 0.031 25919 6516 1 11 . 1 1 13 13 PHE H H 13 9.221 9.221 8.982 0.239 25919 6517 1 11 . 1 1 14 14 GLU N N 14 116.516 116.516 117.439 -0.923 25919 6518 1 11 . 1 1 14 14 GLU HA H 14 3.812 3.812 3.869 -0.057 25919 6519 1 11 . 1 1 14 14 GLU CA C 14 60.699 60.699 59.740 0.959 25919 6520 1 11 . 1 1 14 14 GLU CB C 14 28.943 28.943 28.832 0.111 25919 6521 1 11 . 1 1 14 14 GLU H H 14 9.002 9.002 8.901 0.101 25919 6522 1 11 . 1 1 15 15 GLN N N 15 119.291 119.291 119.143 0.148 25919 6523 1 11 . 1 1 15 15 GLN HA H 15 4.024 4.024 4.072 -0.048 25919 6524 1 11 . 1 1 15 15 GLN C C 15 175.263 175.263 178.811 -3.548 25919 6525 1 11 . 1 1 15 15 GLN CA C 15 58.800 58.800 58.935 -0.135 25919 6526 1 11 . 1 1 15 15 GLN CB C 15 29.300 29.300 28.742 0.557 25919 6527 1 11 . 1 1 15 15 GLN H H 15 7.706 7.706 7.650 0.056 25919 6528 1 11 . 1 1 16 16 ARG N N 16 122.883 122.883 120.076 2.807 25919 6529 1 11 . 1 1 16 16 ARG HA H 16 4.235 4.235 4.071 0.164 25919 6530 1 11 . 1 1 16 16 ARG CA C 16 61.660 61.660 59.580 2.080 25919 6531 1 11 . 1 1 16 16 ARG CB C 16 30.877 30.877 30.154 0.723 25919 6532 1 11 . 1 1 16 16 ARG H H 16 8.567 8.567 8.482 0.085 25919 6533 1 11 . 1 1 17 17 VAL N N 17 118.523 118.523 121.081 -2.558 25919 6534 1 11 . 1 1 17 17 VAL HA H 17 3.865 3.865 3.690 0.175 25919 6535 1 11 . 1 1 17 17 VAL C C 17 174.213 174.213 178.178 -3.965 25919 6536 1 11 . 1 1 17 17 VAL CA C 17 65.550 65.550 66.481 -0.931 25919 6537 1 11 . 1 1 17 17 VAL CB C 17 32.171 32.171 31.559 0.612 25919 6538 1 11 . 1 1 17 17 VAL H H 17 8.430 8.430 8.320 0.110 25919 6539 1 11 . 1 1 18 18 GLU N N 18 120.170 120.170 120.016 0.154 25919 6540 1 11 . 1 1 18 18 GLU HA H 18 4.212 4.212 3.846 0.366 25919 6541 1 11 . 1 1 18 18 GLU C C 18 175.758 175.758 178.628 -2.870 25919 6542 1 11 . 1 1 18 18 GLU CA C 18 58.488 58.488 59.957 -1.469 25919 6543 1 11 . 1 1 18 18 GLU CB C 18 29.360 29.360 29.345 0.015 25919 6544 1 11 . 1 1 18 18 GLU H H 18 7.423 7.423 8.167 -0.744 25919 6545 1 11 . 1 1 19 19 ASP N N 19 121.273 121.273 120.182 1.091 25919 6546 1 11 . 1 1 19 19 ASP HA H 19 4.384 4.384 4.345 0.039 25919 6547 1 11 . 1 1 19 19 ASP C C 19 177.016 177.016 178.481 -1.465 25919 6548 1 11 . 1 1 19 19 ASP CA C 19 56.900 56.900 57.438 -0.538 25919 6549 1 11 . 1 1 19 19 ASP CB C 19 41.884 41.884 40.868 1.016 25919 6550 1 11 . 1 1 19 19 ASP H H 19 7.955 7.955 8.271 -0.316 25919 6551 1 11 . 1 1 20 20 VAL N N 20 119.523 119.523 120.439 -0.916 25919 6552 1 11 . 1 1 20 20 VAL HA H 20 3.232 3.232 3.447 -0.215 25919 6553 1 11 . 1 1 20 20 VAL C C 20 173.876 173.876 177.875 -3.999 25919 6554 1 11 . 1 1 20 20 VAL CA C 20 66.128 66.128 65.872 0.256 25919 6555 1 11 . 1 1 20 20 VAL CB C 20 31.099 31.099 31.473 -0.374 25919 6556 1 11 . 1 1 20 20 VAL H H 20 7.818 7.818 8.333 -0.515 25919 6557 1 11 . 1 1 21 21 ARG N N 21 120.310 120.310 119.095 1.215 25919 6558 1 11 . 1 1 21 21 ARG HA H 21 3.803 3.803 3.970 -0.167 25919 6559 1 11 . 1 1 21 21 ARG CA C 21 59.934 59.934 58.414 1.520 25919 6560 1 11 . 1 1 21 21 ARG CB C 21 30.076 30.076 29.796 0.280 25919 6561 1 11 . 1 1 21 21 ARG H H 21 8.037 8.037 7.912 0.125 25919 6562 1 11 . 1 1 22 22 LEU N N 22 118.660 118.660 121.149 -2.489 25919 6563 1 11 . 1 1 22 22 LEU HA H 22 4.094 4.094 3.993 0.101 25919 6564 1 11 . 1 1 22 22 LEU C C 22 177.626 177.626 179.286 -1.660 25919 6565 1 11 . 1 1 22 22 LEU CA C 22 57.738 57.738 58.206 -0.469 25919 6566 1 11 . 1 1 22 22 LEU CB C 22 42.222 42.222 41.733 0.488 25919 6567 1 11 . 1 1 22 22 LEU H H 22 8.050 8.050 8.366 -0.316 25919 6568 1 11 . 1 1 23 23 ILE N N 23 122.825 122.825 119.634 3.191 25919 6569 1 11 . 1 1 23 23 ILE HA H 23 4.122 4.122 3.651 0.471 25919 6570 1 11 . 1 1 23 23 ILE C C 23 176.226 176.226 177.929 -1.703 25919 6571 1 11 . 1 1 23 23 ILE CA C 23 61.243 61.243 64.621 -3.378 25919 6572 1 11 . 1 1 23 23 ILE CB C 23 38.268 38.268 37.456 0.812 25919 6573 1 11 . 1 1 23 23 ILE H H 23 8.390 8.390 8.575 -0.185 25919 6574 1 11 . 1 1 24 24 ARG N N 24 122.365 122.365 119.367 2.998 25919 6575 1 11 . 1 1 24 24 ARG HA H 24 4.017 4.017 4.040 -0.023 25919 6576 1 11 . 1 1 24 24 ARG CA C 24 57.684 57.684 58.264 -0.580 25919 6577 1 11 . 1 1 24 24 ARG CB C 24 28.817 28.817 29.819 -1.002 25919 6578 1 11 . 1 1 24 24 ARG H H 24 8.540 8.540 8.132 0.408 25919 6579 1 11 . 1 1 25 25 GLU N N 25 118.383 118.383 118.276 0.107 25919 6580 1 11 . 1 1 25 25 GLU HA H 25 4.044 4.044 4.059 -0.015 25919 6581 1 11 . 1 1 25 25 GLU CA C 25 58.680 58.680 58.613 0.067 25919 6582 1 11 . 1 1 25 25 GLU CB C 25 29.850 29.850 29.833 0.017 25919 6583 1 11 . 1 1 25 25 GLU H H 25 7.287 7.287 7.666 -0.379 25919 6584 1 11 . 1 1 26 26 GLN N N 26 117.165 117.165 116.674 0.491 25919 6585 1 11 . 1 1 26 26 GLN HA H 26 3.948 3.948 4.009 -0.061 25919 6586 1 11 . 1 1 26 26 GLN C C 26 176.221 176.221 176.858 -0.637 25919 6587 1 11 . 1 1 26 26 GLN CA C 26 57.638 57.638 57.390 0.248 25919 6588 1 11 . 1 1 26 26 GLN CB C 26 30.320 30.320 29.367 0.953 25919 6589 1 11 . 1 1 26 26 GLN H H 26 7.423 7.423 8.073 -0.650 25919 6590 1 11 . 1 1 27 27 HIS N N 27 117.140 117.140 117.555 -0.415 25919 6591 1 11 . 1 1 27 27 HIS HA H 27 4.866 4.866 5.016 -0.150 25919 6592 1 11 . 1 1 27 27 HIS CA C 27 53.305 53.305 52.543 0.762 25919 6593 1 11 . 1 1 27 27 HIS CB C 27 30.917 30.917 29.339 1.578 25919 6594 1 11 . 1 1 27 27 HIS H H 27 8.254 8.254 8.183 0.071 25919 6595 1 11 . 1 1 28 28 PRO HA H 28 4.609 4.609 4.416 0.193 25919 6596 1 11 . 1 1 28 28 PRO CA C 28 64.881 64.881 65.197 -0.316 25919 6597 1 11 . 1 1 28 28 PRO CB C 28 32.554 32.554 32.174 0.380 25919 6598 1 11 . 1 1 29 29 THR N N 29 107.339 107.339 108.259 -0.920 25919 6599 1 11 . 1 1 29 29 THR HA H 29 4.644 4.644 4.229 0.415 25919 6600 1 11 . 1 1 29 29 THR C C 29 172.933 172.933 174.424 -1.491 25919 6601 1 11 . 1 1 29 29 THR CA C 29 60.600 60.600 63.063 -2.463 25919 6602 1 11 . 1 1 29 29 THR CB C 29 68.520 68.520 68.333 0.187 25919 6603 1 11 . 1 1 29 29 THR H H 29 7.764 7.764 8.501 -0.737 25919 6604 1 11 . 1 1 30 30 LYS N N 30 118.273 118.273 121.536 -3.263 25919 6605 1 11 . 1 1 30 30 LYS HA H 30 4.926 4.926 4.754 0.172 25919 6606 1 11 . 1 1 30 30 LYS C C 30 175.010 175.010 174.845 0.165 25919 6607 1 11 . 1 1 30 30 LYS CA C 30 53.740 53.740 56.055 -2.315 25919 6608 1 11 . 1 1 30 30 LYS CB C 30 36.445 36.445 34.130 2.315 25919 6609 1 11 . 1 1 30 30 LYS H H 30 7.478 7.478 7.679 -0.201 25919 6610 1 11 . 1 1 31 31 ILE N N 31 123.498 123.498 120.978 2.520 25919 6611 1 11 . 1 1 31 31 ILE HA H 31 4.139 4.139 4.248 -0.109 25919 6612 1 11 . 1 1 31 31 ILE CA C 31 54.669 54.669 56.110 -1.441 25919 6613 1 11 . 1 1 31 31 ILE CB C 31 38.427 38.427 39.673 -1.246 25919 6614 1 11 . 1 1 31 31 ILE H H 31 9.235 9.235 8.735 0.500 25919 6615 1 11 . 1 1 32 32 PRO HA H 32 5.212 5.212 4.665 0.547 25919 6616 1 11 . 1 1 32 32 PRO C C 32 174.832 174.832 175.727 -0.895 25919 6617 1 11 . 1 1 32 32 PRO CA C 32 61.678 61.678 61.895 -0.217 25919 6618 1 11 . 1 1 32 32 PRO CB C 32 30.993 30.993 31.462 -0.469 25919 6619 1 11 . 1 1 33 33 VAL N N 33 124.964 124.964 125.019 -0.055 25919 6620 1 11 . 1 1 33 33 VAL HA H 33 5.234 5.234 5.006 0.228 25919 6621 1 11 . 1 1 33 33 VAL CA C 33 59.611 59.611 61.396 -1.785 25919 6622 1 11 . 1 1 33 33 VAL CB C 33 35.711 35.711 36.500 -0.789 25919 6623 1 11 . 1 1 33 33 VAL H H 33 9.289 9.289 9.195 0.094 25919 6624 1 11 . 1 1 34 34 ILE N N 34 127.908 127.908 124.378 3.530 25919 6625 1 11 . 1 1 34 34 ILE HA H 34 4.742 4.742 4.712 0.030 25919 6626 1 11 . 1 1 34 34 ILE CA C 34 56.330 56.330 59.946 -3.616 25919 6627 1 11 . 1 1 34 34 ILE CB C 34 36.629 36.629 41.586 -4.957 25919 6628 1 11 . 1 1 34 34 ILE H H 34 8.594 8.594 8.819 -0.225 25919 6629 1 11 . 1 1 35 35 ILE N N 35 125.405 125.405 127.199 -1.794 25919 6630 1 11 . 1 1 35 35 ILE HA H 35 4.879 4.879 5.376 -0.497 25919 6631 1 11 . 1 1 35 35 ILE C C 35 176.126 176.126 173.917 2.209 25919 6632 1 11 . 1 1 35 35 ILE CA C 35 60.923 60.923 58.954 1.969 25919 6633 1 11 . 1 1 35 35 ILE CB C 35 38.968 38.968 41.343 -2.375 25919 6634 1 11 . 1 1 35 35 ILE H H 35 8.545 8.545 9.150 -0.605 25919 6635 1 11 . 1 1 36 36 GLU N N 36 124.153 124.153 127.671 -3.518 25919 6636 1 11 . 1 1 36 36 GLU HA H 36 4.789 4.789 4.881 -0.092 25919 6637 1 11 . 1 1 36 36 GLU C C 36 173.645 173.645 174.886 -1.241 25919 6638 1 11 . 1 1 36 36 GLU CA C 36 54.282 54.282 54.861 -0.579 25919 6639 1 11 . 1 1 36 36 GLU CB C 36 35.401 35.401 34.335 1.066 25919 6640 1 11 . 1 1 36 36 GLU H H 36 8.363 8.363 8.844 -0.481 25919 6641 1 11 . 1 1 37 37 ARG N N 37 123.957 123.957 128.793 -4.836 25919 6642 1 11 . 1 1 37 37 ARG HA H 37 2.804 2.804 4.403 -1.599 25919 6643 1 11 . 1 1 37 37 ARG C C 37 176.456 176.456 176.246 0.210 25919 6644 1 11 . 1 1 37 37 ARG CA C 37 56.120 56.120 56.874 -0.754 25919 6645 1 11 . 1 1 37 37 ARG CB C 37 31.500 31.500 30.897 0.603 25919 6646 1 11 . 1 1 37 37 ARG H H 37 8.853 8.853 8.928 -0.075 25919 6647 1 11 . 1 1 38 38 TYR N N 38 129.636 129.636 126.998 2.638 25919 6648 1 11 . 1 1 38 38 TYR HA H 38 4.311 4.311 4.399 -0.088 25919 6649 1 11 . 1 1 38 38 TYR CA C 38 57.907 57.907 59.247 -1.340 25919 6650 1 11 . 1 1 38 38 TYR CB C 38 39.567 39.567 39.337 0.230 25919 6651 1 11 . 1 1 38 38 TYR H H 38 8.663 8.663 8.490 0.173 25919 6652 1 11 . 1 1 39 39 LYS N N 39 130.772 130.772 127.794 2.978 25919 6653 1 11 . 1 1 39 39 LYS HA H 39 3.848 3.848 3.861 -0.013 25919 6654 1 11 . 1 1 39 39 LYS CA C 39 58.986 58.986 58.290 0.696 25919 6655 1 11 . 1 1 39 39 LYS CB C 39 31.777 31.777 32.057 -0.280 25919 6656 1 11 . 1 1 39 39 LYS H H 39 8.389 8.389 8.578 -0.189 25919 6657 1 11 . 1 1 40 40 GLY N N 40 106.013 106.013 105.237 0.776 25919 6658 1 11 . 1 1 40 40 GLY C C 40 173.407 173.407 173.986 -0.579 25919 6659 1 11 . 1 1 40 40 GLY CA C 40 44.796 44.796 44.753 0.043 25919 6660 1 11 . 1 1 40 40 GLY H H 40 5.643 5.643 6.905 -1.262 25919 6661 1 11 . 1 1 41 41 GLU N N 41 123.519 123.519 118.329 5.190 25919 6662 1 11 . 1 1 41 41 GLU HA H 41 4.265 4.265 4.305 -0.040 25919 6663 1 11 . 1 1 41 41 GLU C C 41 176.231 176.231 175.602 0.629 25919 6664 1 11 . 1 1 41 41 GLU CA C 41 56.365 56.365 55.624 0.741 25919 6665 1 11 . 1 1 41 41 GLU CB C 41 31.077 31.077 31.567 -0.490 25919 6666 1 11 . 1 1 41 41 GLU H H 41 7.464 7.464 6.596 0.868 25919 6667 1 11 . 1 1 42 42 LYS N N 42 124.405 124.405 126.829 -2.424 25919 6668 1 11 . 1 1 42 42 LYS HA H 42 4.669 4.669 4.213 0.456 25919 6669 1 11 . 1 1 42 42 LYS C C 42 177.170 177.170 176.295 0.875 25919 6670 1 11 . 1 1 42 42 LYS CA C 42 55.750 55.750 56.088 -0.338 25919 6671 1 11 . 1 1 42 42 LYS CB C 42 34.929 34.929 30.025 4.904 25919 6672 1 11 . 1 1 42 42 LYS H H 42 8.895 8.895 8.603 0.292 25919 6673 1 11 . 1 1 43 43 GLN N N 43 119.903 119.903 118.970 0.933 25919 6674 1 11 . 1 1 43 43 GLN HA H 43 4.541 4.541 4.110 0.431 25919 6675 1 11 . 1 1 43 43 GLN C C 43 177.260 177.260 176.373 0.887 25919 6676 1 11 . 1 1 43 43 GLN CA C 43 57.566 57.566 57.604 -0.038 25919 6677 1 11 . 1 1 43 43 GLN CB C 43 30.620 30.620 29.398 1.222 25919 6678 1 11 . 1 1 43 43 GLN H H 43 8.459 8.459 7.972 0.487 25919 6679 1 11 . 1 1 44 44 LEU N N 44 121.272 121.272 119.380 1.892 25919 6680 1 11 . 1 1 44 44 LEU HA H 44 4.726 4.726 4.769 -0.043 25919 6681 1 11 . 1 1 44 44 LEU CA C 44 53.165 53.165 51.852 1.313 25919 6682 1 11 . 1 1 44 44 LEU CB C 44 43.444 43.444 42.167 1.277 25919 6683 1 11 . 1 1 44 44 LEU H H 44 9.002 9.002 7.896 1.106 25919 6684 1 11 . 1 1 45 45 PRO HA H 45 4.722 4.722 4.372 0.350 25919 6685 1 11 . 1 1 45 45 PRO CA C 45 62.169 62.169 63.758 -1.589 25919 6686 1 11 . 1 1 45 45 PRO CB C 45 32.722 32.722 32.128 0.594 25919 6687 1 11 . 1 1 46 46 VAL N N 46 118.403 118.403 123.315 -4.912 25919 6688 1 11 . 1 1 46 46 VAL HA H 46 4.009 4.009 4.105 -0.096 25919 6689 1 11 . 1 1 46 46 VAL C C 46 173.416 173.416 175.995 -2.579 25919 6690 1 11 . 1 1 46 46 VAL CA C 46 62.413 62.413 61.995 0.418 25919 6691 1 11 . 1 1 46 46 VAL CB C 46 33.087 33.087 30.014 3.073 25919 6692 1 11 . 1 1 46 46 VAL H H 46 8.349 8.349 8.474 -0.125 25919 6693 1 11 . 1 1 47 47 LEU N N 47 128.653 128.653 121.861 6.792 25919 6694 1 11 . 1 1 47 47 LEU HA H 47 4.452 4.452 4.162 0.290 25919 6695 1 11 . 1 1 47 47 LEU CA C 47 54.758 54.758 55.407 -0.649 25919 6696 1 11 . 1 1 47 47 LEU CB C 47 44.076 44.076 42.485 1.591 25919 6697 1 11 . 1 1 47 47 LEU H H 47 8.064 8.064 7.335 0.729 25919 6698 1 11 . 1 1 48 48 ASP N N 48 121.042 121.042 118.392 2.650 25919 6699 1 11 . 1 1 48 48 ASP HA H 48 4.347 4.347 4.782 -0.435 25919 6700 1 11 . 1 1 48 48 ASP CA C 48 55.600 55.600 52.801 2.799 25919 6701 1 11 . 1 1 48 48 ASP CB C 48 40.407 40.407 39.401 1.006 25919 6702 1 11 . 1 1 48 48 ASP H H 48 8.649 8.649 8.645 0.004 25919 6703 1 11 . 1 1 49 49 LYS N N 49 118.877 118.877 120.808 -1.931 25919 6704 1 11 . 1 1 49 49 LYS HA H 49 4.541 4.541 4.521 0.020 25919 6705 1 11 . 1 1 49 49 LYS C C 49 179.744 179.744 176.603 3.141 25919 6706 1 11 . 1 1 49 49 LYS CA C 49 54.099 54.099 56.108 -2.009 25919 6707 1 11 . 1 1 49 49 LYS CB C 49 35.378 35.378 31.953 3.425 25919 6708 1 11 . 1 1 49 49 LYS H H 49 7.287 7.287 7.692 -0.405 25919 6709 1 11 . 1 1 50 50 THR N N 50 114.691 114.691 113.390 1.301 25919 6710 1 11 . 1 1 50 50 THR HA H 50 4.628 4.628 4.893 -0.265 25919 6711 1 11 . 1 1 50 50 THR CA C 50 63.920 63.920 61.488 2.432 25919 6712 1 11 . 1 1 50 50 THR CB C 50 71.365 71.365 70.477 0.888 25919 6713 1 11 . 1 1 50 50 THR H H 50 8.064 8.064 8.169 -0.105 25919 6714 1 11 . 1 1 51 51 LYS N N 51 120.273 120.273 123.606 -3.333 25919 6715 1 11 . 1 1 51 51 LYS HA H 51 4.570 4.570 4.173 0.397 25919 6716 1 11 . 1 1 51 51 LYS CA C 51 54.997 54.997 56.602 -1.605 25919 6717 1 11 . 1 1 51 51 LYS CB C 51 32.700 32.700 32.866 -0.166 25919 6718 1 11 . 1 1 51 51 LYS H H 51 7.192 7.192 8.010 -0.818 25919 6719 1 11 . 1 1 52 52 PHE N N 52 121.816 121.816 124.935 -3.119 25919 6720 1 11 . 1 1 52 52 PHE HA H 52 5.503 5.503 4.756 0.747 25919 6721 1 11 . 1 1 52 52 PHE CA C 52 56.104 56.104 57.094 -0.990 25919 6722 1 11 . 1 1 52 52 PHE CB C 52 43.188 43.188 43.255 -0.067 25919 6723 1 11 . 1 1 52 52 PHE H H 52 9.466 9.466 9.083 0.383 25919 6724 1 11 . 1 1 53 53 LEU N N 53 120.846 120.846 123.016 -2.170 25919 6725 1 11 . 1 1 53 53 LEU HA H 53 5.135 5.135 5.363 -0.228 25919 6726 1 11 . 1 1 53 53 LEU C C 53 175.042 175.042 175.718 -0.676 25919 6727 1 11 . 1 1 53 53 LEU CA C 53 52.916 52.916 53.535 -0.619 25919 6728 1 11 . 1 1 53 53 LEU CB C 53 45.242 45.242 45.093 0.149 25919 6729 1 11 . 1 1 53 53 LEU H H 53 8.608 8.608 8.529 0.079 25919 6730 1 11 . 1 1 54 54 VAL N N 54 123.773 123.773 122.954 0.819 25919 6731 1 11 . 1 1 54 54 VAL HA H 54 4.755 4.755 4.624 0.131 25919 6732 1 11 . 1 1 54 54 VAL CA C 54 58.622 58.622 58.457 0.165 25919 6733 1 11 . 1 1 54 54 VAL CB C 54 35.150 35.150 34.903 0.247 25919 6734 1 11 . 1 1 54 54 VAL H H 54 8.801 8.801 8.909 -0.108 25919 6735 1 11 . 1 1 55 55 PRO HA H 55 4.435 4.435 4.585 -0.149 25919 6736 1 11 . 1 1 55 55 PRO C C 55 176.427 176.427 178.003 -1.576 25919 6737 1 11 . 1 1 55 55 PRO CA C 55 64.298 64.298 62.873 1.425 25919 6738 1 11 . 1 1 55 55 PRO CB C 55 32.822 32.822 32.064 0.758 25919 6739 1 11 . 1 1 56 56 ASP N N 56 121.214 121.214 124.876 -3.662 25919 6740 1 11 . 1 1 56 56 ASP HA H 56 3.880 3.880 4.292 -0.412 25919 6741 1 11 . 1 1 56 56 ASP CA C 56 56.742 56.742 57.168 -0.426 25919 6742 1 11 . 1 1 56 56 ASP CB C 56 40.481 40.481 40.195 0.286 25919 6743 1 11 . 1 1 56 56 ASP H H 56 8.336 8.336 8.890 -0.554 25919 6744 1 11 . 1 1 57 57 HIS N N 57 114.277 114.277 117.812 -3.535 25919 6745 1 11 . 1 1 57 57 HIS HA H 57 4.772 4.772 4.353 0.419 25919 6746 1 11 . 1 1 57 57 HIS C C 57 174.806 174.806 176.188 -1.382 25919 6747 1 11 . 1 1 57 57 HIS CA C 57 55.688 55.688 57.887 -2.199 25919 6748 1 11 . 1 1 57 57 HIS CB C 57 30.450 30.450 29.634 0.816 25919 6749 1 11 . 1 1 57 57 HIS H H 57 7.464 7.464 8.397 -0.933 25919 6750 1 11 . 1 1 58 58 VAL N N 58 123.531 123.531 120.699 2.832 25919 6751 1 11 . 1 1 58 58 VAL HA H 58 3.909 3.909 4.000 -0.091 25919 6752 1 11 . 1 1 58 58 VAL C C 58 177.148 177.148 175.429 1.719 25919 6753 1 11 . 1 1 58 58 VAL CA C 58 62.900 62.900 63.149 -0.249 25919 6754 1 11 . 1 1 58 58 VAL CB C 58 32.320 32.320 32.046 0.274 25919 6755 1 11 . 1 1 58 58 VAL H H 58 7.261 7.261 7.841 -0.580 25919 6756 1 11 . 1 1 59 59 ASN N N 59 124.147 124.147 125.598 -1.451 25919 6757 1 11 . 1 1 59 59 ASN HA H 59 5.174 5.174 4.758 0.416 25919 6758 1 11 . 1 1 59 59 ASN C C 59 175.176 175.176 176.109 -0.933 25919 6759 1 11 . 1 1 59 59 ASN CA C 59 51.374 51.374 53.115 -1.741 25919 6760 1 11 . 1 1 59 59 ASN CB C 59 40.038 40.038 39.219 0.819 25919 6761 1 11 . 1 1 59 59 ASN H H 59 8.819 8.819 8.814 0.005 25919 6762 1 11 . 1 1 60 60 MET N N 60 117.583 117.583 123.479 -5.896 25919 6763 1 11 . 1 1 60 60 MET HA H 60 4.425 4.425 4.153 0.272 25919 6764 1 11 . 1 1 60 60 MET CA C 60 57.271 57.271 58.766 -1.495 25919 6765 1 11 . 1 1 60 60 MET CB C 60 30.063 30.063 32.729 -2.666 25919 6766 1 11 . 1 1 60 60 MET H H 60 8.023 8.023 8.794 -0.771 25919 6767 1 11 . 1 1 61 61 SER N N 61 115.027 115.027 114.302 0.725 25919 6768 1 11 . 1 1 61 61 SER HA H 61 4.138 4.138 4.118 0.020 25919 6769 1 11 . 1 1 61 61 SER C C 61 178.809 178.809 176.483 2.326 25919 6770 1 11 . 1 1 61 61 SER CA C 61 61.553 61.553 61.380 0.173 25919 6771 1 11 . 1 1 61 61 SER CB C 61 62.581 62.581 62.374 0.207 25919 6772 1 11 . 1 1 61 61 SER H H 61 8.350 8.350 7.938 0.412 25919 6773 1 11 . 1 1 62 62 GLU N N 62 123.657 123.657 123.328 0.329 25919 6774 1 11 . 1 1 62 62 GLU HA H 62 3.979 3.979 4.116 -0.137 25919 6775 1 11 . 1 1 62 62 GLU C C 62 176.456 176.456 178.329 -1.873 25919 6776 1 11 . 1 1 62 62 GLU CA C 62 58.726 58.726 58.572 0.155 25919 6777 1 11 . 1 1 62 62 GLU CB C 62 29.700 29.700 29.682 0.018 25919 6778 1 11 . 1 1 62 62 GLU H H 62 7.994 7.994 7.733 0.261 25919 6779 1 11 . 1 1 63 63 LEU N N 63 121.225 121.225 121.630 -0.405 25919 6780 1 11 . 1 1 63 63 LEU HA H 63 3.949 3.949 3.937 0.012 25919 6781 1 11 . 1 1 63 63 LEU C C 63 178.113 178.113 178.606 -0.493 25919 6782 1 11 . 1 1 63 63 LEU CA C 63 57.860 57.860 58.002 -0.142 25919 6783 1 11 . 1 1 63 63 LEU CB C 63 41.526 41.526 41.788 -0.262 25919 6784 1 11 . 1 1 63 63 LEU H H 63 8.223 8.223 8.390 -0.167 25919 6785 1 11 . 1 1 64 64 ILE N N 64 119.273 119.273 119.098 0.175 25919 6786 1 11 . 1 1 64 64 ILE HA H 64 3.375 3.375 3.503 -0.128 25919 6787 1 11 . 1 1 64 64 ILE CA C 64 66.723 66.723 66.159 0.563 25919 6788 1 11 . 1 1 64 64 ILE CB C 64 38.161 38.161 37.636 0.525 25919 6789 1 11 . 1 1 64 64 ILE H H 64 8.301 8.301 8.321 -0.020 25919 6790 1 11 . 1 1 65 65 LYS N N 65 119.143 119.143 120.144 -1.001 25919 6791 1 11 . 1 1 65 65 LYS HA H 65 3.703 3.703 3.828 -0.125 25919 6792 1 11 . 1 1 65 65 LYS C C 65 173.869 173.869 178.650 -4.781 25919 6793 1 11 . 1 1 65 65 LYS CA C 65 60.451 60.451 60.049 0.402 25919 6794 1 11 . 1 1 65 65 LYS CB C 65 32.300 32.300 32.345 -0.045 25919 6795 1 11 . 1 1 65 65 LYS H H 65 7.300 7.300 7.879 -0.579 25919 6796 1 11 . 1 1 66 66 ILE N N 66 120.527 120.527 121.132 -0.605 25919 6797 1 11 . 1 1 66 66 ILE HA H 66 3.541 3.541 3.758 -0.217 25919 6798 1 11 . 1 1 66 66 ILE C C 66 176.459 176.459 177.655 -1.196 25919 6799 1 11 . 1 1 66 66 ILE CA C 66 65.290 65.290 64.152 1.138 25919 6800 1 11 . 1 1 66 66 ILE CB C 66 38.254 38.254 37.778 0.476 25919 6801 1 11 . 1 1 66 66 ILE H H 66 8.048 8.048 7.884 0.164 25919 6802 1 11 . 1 1 67 67 ILE N N 67 121.527 121.527 121.048 0.479 25919 6803 1 11 . 1 1 67 67 ILE HA H 67 3.336 3.336 3.497 -0.161 25919 6804 1 11 . 1 1 67 67 ILE C C 67 178.102 178.102 177.968 0.134 25919 6805 1 11 . 1 1 67 67 ILE CA C 67 63.952 63.952 64.163 -0.211 25919 6806 1 11 . 1 1 67 67 ILE CB C 67 35.891 35.891 36.346 -0.455 25919 6807 1 11 . 1 1 67 67 ILE H H 67 8.308 8.308 8.218 0.090 25919 6808 1 11 . 1 1 68 68 ARG N N 68 119.384 119.384 119.900 -0.516 25919 6809 1 11 . 1 1 68 68 ARG HA H 68 2.970 2.970 3.203 -0.233 25919 6810 1 11 . 1 1 68 68 ARG C C 68 172.723 172.723 178.012 -5.289 25919 6811 1 11 . 1 1 68 68 ARG CA C 68 60.704 60.704 59.777 0.927 25919 6812 1 11 . 1 1 68 68 ARG CB C 68 30.320 30.320 29.794 0.526 25919 6813 1 11 . 1 1 68 68 ARG H H 68 8.336 8.336 8.307 0.029 25919 6814 1 11 . 1 1 69 69 ARG N N 69 117.648 117.648 118.712 -1.064 25919 6815 1 11 . 1 1 69 69 ARG HA H 69 4.138 4.138 3.931 0.207 25919 6816 1 11 . 1 1 69 69 ARG C C 69 172.480 172.480 179.152 -6.672 25919 6817 1 11 . 1 1 69 69 ARG CA C 69 58.645 58.645 59.345 -0.700 25919 6818 1 11 . 1 1 69 69 ARG CB C 69 29.779 29.779 30.010 -0.231 25919 6819 1 11 . 1 1 69 69 ARG H H 69 7.432 7.432 7.885 -0.453 25919 6820 1 11 . 1 1 70 70 ARG N N 70 124.006 124.006 119.982 4.024 25919 6821 1 11 . 1 1 70 70 ARG HA H 70 4.074 4.074 4.083 -0.009 25919 6822 1 11 . 1 1 70 70 ARG C C 70 178.799 178.799 178.102 0.697 25919 6823 1 11 . 1 1 70 70 ARG CA C 70 58.385 58.385 58.734 -0.349 25919 6824 1 11 . 1 1 70 70 ARG CB C 70 30.043 30.043 30.179 -0.136 25919 6825 1 11 . 1 1 70 70 ARG H H 70 8.212 8.212 8.139 0.073 25919 6826 1 11 . 1 1 71 71 LEU N N 71 117.764 117.764 117.310 0.454 25919 6827 1 11 . 1 1 71 71 LEU HA H 71 4.085 4.085 4.166 -0.081 25919 6828 1 11 . 1 1 71 71 LEU CA C 71 55.063 55.063 54.938 0.125 25919 6829 1 11 . 1 1 71 71 LEU CB C 71 43.100 43.100 41.982 1.118 25919 6830 1 11 . 1 1 71 71 LEU H H 71 7.750 7.750 7.820 -0.070 25919 6831 1 11 . 1 1 72 72 GLN N N 72 115.522 115.522 112.674 2.848 25919 6832 1 11 . 1 1 72 72 GLN HA H 72 3.839 3.839 3.946 -0.107 25919 6833 1 11 . 1 1 72 72 GLN C C 72 175.744 175.744 175.426 0.318 25919 6834 1 11 . 1 1 72 72 GLN CA C 72 56.409 56.409 56.525 -0.116 25919 6835 1 11 . 1 1 72 72 GLN CB C 72 25.959 25.959 25.878 0.081 25919 6836 1 11 . 1 1 72 72 GLN H H 72 7.751 7.751 7.674 0.077 25919 6837 1 11 . 1 1 73 73 LEU N N 73 115.900 115.900 120.212 -4.312 25919 6838 1 11 . 1 1 73 73 LEU HA H 73 4.254 4.254 4.424 -0.170 25919 6839 1 11 . 1 1 73 73 LEU C C 73 178.568 178.568 176.416 2.152 25919 6840 1 11 . 1 1 73 73 LEU CA C 73 54.468 54.468 53.947 0.521 25919 6841 1 11 . 1 1 73 73 LEU CB C 73 42.050 42.050 40.534 1.516 25919 6842 1 11 . 1 1 73 73 LEU H H 73 7.573 7.573 7.804 -0.231 25919 6843 1 11 . 1 1 74 74 ASN N N 74 122.154 122.154 124.480 -2.326 25919 6844 1 11 . 1 1 74 74 ASN HA H 74 4.684 4.684 4.592 0.092 25919 6845 1 11 . 1 1 74 74 ASN C C 74 174.122 174.122 176.655 -2.533 25919 6846 1 11 . 1 1 74 74 ASN CA C 74 52.724 52.724 53.310 -0.586 25919 6847 1 11 . 1 1 74 74 ASN CB C 74 39.579 39.579 39.232 0.347 25919 6848 1 11 . 1 1 74 74 ASN H H 74 8.949 8.949 8.082 0.867 25919 6849 1 11 . 1 1 75 75 ALA N N 75 124.274 124.274 123.256 1.018 25919 6850 1 11 . 1 1 75 75 ALA HA H 75 3.972 3.972 4.047 -0.075 25919 6851 1 11 . 1 1 75 75 ALA C C 75 178.113 178.113 178.830 -0.717 25919 6852 1 11 . 1 1 75 75 ALA CA C 75 54.900 54.900 54.925 -0.025 25919 6853 1 11 . 1 1 75 75 ALA CB C 75 18.708 18.708 18.678 0.030 25919 6854 1 11 . 1 1 75 75 ALA H H 75 8.690 8.690 8.600 0.090 25919 6855 1 11 . 1 1 76 76 ASN N N 76 112.911 112.911 114.608 -1.697 25919 6856 1 11 . 1 1 76 76 ASN HA H 76 4.589 4.589 4.620 -0.031 25919 6857 1 11 . 1 1 76 76 ASN C C 76 175.515 175.515 175.576 -0.061 25919 6858 1 11 . 1 1 76 76 ASN CA C 76 53.276 53.276 54.078 -0.801 25919 6859 1 11 . 1 1 76 76 ASN CB C 76 38.343 38.343 38.641 -0.298 25919 6860 1 11 . 1 1 76 76 ASN H H 76 8.340 8.340 8.130 0.210 25919 6861 1 11 . 1 1 77 77 GLN N N 77 121.144 121.144 120.503 0.641 25919 6862 1 11 . 1 1 77 77 GLN HA H 77 4.287 4.287 4.396 -0.109 25919 6863 1 11 . 1 1 77 77 GLN C C 77 175.053 175.053 175.074 -0.021 25919 6864 1 11 . 1 1 77 77 GLN CA C 77 55.856 55.856 55.157 0.699 25919 6865 1 11 . 1 1 77 77 GLN CB C 77 30.320 30.320 29.668 0.652 25919 6866 1 11 . 1 1 77 77 GLN H H 77 7.546 7.546 7.609 -0.063 25919 6867 1 11 . 1 1 78 78 ALA N N 78 131.146 131.146 129.768 1.378 25919 6868 1 11 . 1 1 78 78 ALA HA H 78 4.179 4.179 4.353 -0.174 25919 6869 1 11 . 1 1 78 78 ALA C C 78 176.453 176.453 176.349 0.104 25919 6870 1 11 . 1 1 78 78 ALA CA C 78 52.852 52.852 52.851 0.001 25919 6871 1 11 . 1 1 78 78 ALA CB C 78 20.074 20.074 19.598 0.476 25919 6872 1 11 . 1 1 78 78 ALA H H 78 8.730 8.730 8.543 0.187 25919 6873 1 11 . 1 1 79 79 PHE N N 79 119.860 119.860 122.556 -2.696 25919 6874 1 11 . 1 1 79 79 PHE HA H 79 4.453 4.453 4.902 -0.449 25919 6875 1 11 . 1 1 79 79 PHE C C 79 171.834 171.834 173.170 -1.336 25919 6876 1 11 . 1 1 79 79 PHE CA C 79 59.115 59.115 57.299 1.816 25919 6877 1 11 . 1 1 79 79 PHE CB C 79 42.246 42.246 42.189 0.057 25919 6878 1 11 . 1 1 79 79 PHE H H 79 7.601 7.601 8.044 -0.443 25919 6879 1 11 . 1 1 80 80 PHE N N 80 126.800 126.800 126.042 0.758 25919 6880 1 11 . 1 1 80 80 PHE HA H 80 4.396 4.396 4.488 -0.092 25919 6881 1 11 . 1 1 80 80 PHE C C 80 173.169 173.169 173.102 0.067 25919 6882 1 11 . 1 1 80 80 PHE CA C 80 56.859 56.859 56.499 0.360 25919 6883 1 11 . 1 1 80 80 PHE CB C 80 41.946 41.946 42.848 -0.902 25919 6884 1 11 . 1 1 80 80 PHE H H 80 8.504 8.504 8.960 -0.456 25919 6885 1 11 . 1 1 81 81 LEU N N 81 122.590 122.590 125.966 -3.376 25919 6886 1 11 . 1 1 81 81 LEU HA H 81 4.902 4.902 4.842 0.060 25919 6887 1 11 . 1 1 81 81 LEU CA C 81 53.108 53.108 53.518 -0.410 25919 6888 1 11 . 1 1 81 81 LEU CB C 81 45.781 45.781 43.438 2.343 25919 6889 1 11 . 1 1 81 81 LEU H H 81 8.159 8.159 8.493 -0.334 25919 6890 1 11 . 1 1 82 82 LEU N N 82 126.414 126.414 128.467 -2.053 25919 6891 1 11 . 1 1 82 82 LEU HA H 82 4.807 4.807 5.010 -0.203 25919 6892 1 11 . 1 1 82 82 LEU C C 82 174.204 174.204 176.327 -2.123 25919 6893 1 11 . 1 1 82 82 LEU CA C 82 54.200 54.200 53.512 0.688 25919 6894 1 11 . 1 1 82 82 LEU CB C 82 43.650 43.650 42.624 1.026 25919 6895 1 11 . 1 1 82 82 LEU H H 82 9.347 9.347 9.225 0.122 25919 6896 1 11 . 1 1 83 83 VAL N N 83 123.910 123.910 127.043 -3.133 25919 6897 1 11 . 1 1 83 83 VAL HA H 83 4.466 4.466 4.221 0.245 25919 6898 1 11 . 1 1 83 83 VAL C C 83 175.891 175.891 176.556 -0.665 25919 6899 1 11 . 1 1 83 83 VAL CA C 83 61.339 61.339 63.635 -2.296 25919 6900 1 11 . 1 1 83 83 VAL CB C 83 34.013 34.013 31.853 2.160 25919 6901 1 11 . 1 1 83 83 VAL H H 83 8.676 8.676 8.562 0.114 25919 6902 1 11 . 1 1 84 84 ASN N N 84 127.149 127.149 127.574 -0.425 25919 6903 1 11 . 1 1 84 84 ASN HA H 84 4.384 4.384 4.412 -0.028 25919 6904 1 11 . 1 1 84 84 ASN CA C 84 54.494 54.494 54.391 0.103 25919 6905 1 11 . 1 1 84 84 ASN CB C 84 37.933 37.933 36.654 1.279 25919 6906 1 11 . 1 1 84 84 ASN H H 84 9.630 9.630 9.149 0.481 25919 6907 1 11 . 1 1 85 85 GLY N N 85 101.905 101.905 104.298 -2.393 25919 6908 1 11 . 1 1 85 85 GLY C C 85 175.112 175.112 173.871 1.241 25919 6909 1 11 . 1 1 85 85 GLY CA C 85 45.624 45.624 45.354 0.270 25919 6910 1 11 . 1 1 85 85 GLY H H 85 8.670 8.670 7.922 0.748 25919 6911 1 11 . 1 1 86 86 HIS N N 86 117.905 117.905 122.223 -4.318 25919 6912 1 11 . 1 1 86 86 HIS HA H 86 5.039 5.039 4.883 0.156 25919 6913 1 11 . 1 1 86 86 HIS CA C 86 53.890 53.890 55.296 -1.406 25919 6914 1 11 . 1 1 86 86 HIS CB C 86 30.888 30.888 31.668 -0.780 25919 6915 1 11 . 1 1 86 86 HIS H H 86 7.927 7.927 8.070 -0.143 25919 6916 1 11 . 1 1 87 87 SER N N 87 118.646 118.646 121.572 -2.926 25919 6917 1 11 . 1 1 87 87 SER HA H 87 4.397 4.397 4.302 0.095 25919 6918 1 11 . 1 1 87 87 SER C C 87 175.275 175.275 174.395 0.880 25919 6919 1 11 . 1 1 87 87 SER CA C 87 58.414 58.414 58.904 -0.490 25919 6920 1 11 . 1 1 87 87 SER CB C 87 63.772 63.772 63.741 0.031 25919 6921 1 11 . 1 1 87 87 SER H H 87 8.927 8.927 8.994 -0.067 25919 6922 1 11 . 1 1 88 88 MET N N 88 126.013 126.013 128.146 -2.133 25919 6923 1 11 . 1 1 88 88 MET HA H 88 4.851 4.851 4.642 0.209 25919 6924 1 11 . 1 1 88 88 MET C C 88 178.796 178.796 176.468 2.328 25919 6925 1 11 . 1 1 88 88 MET CA C 88 54.727 54.727 53.829 0.898 25919 6926 1 11 . 1 1 88 88 MET CB C 88 33.309 33.309 33.072 0.237 25919 6927 1 11 . 1 1 88 88 MET H H 88 9.088 9.088 9.050 0.038 25919 6928 1 11 . 1 1 89 89 VAL N N 89 121.153 121.153 120.644 0.509 25919 6929 1 11 . 1 1 89 89 VAL HA H 89 4.057 4.057 3.555 0.502 25919 6930 1 11 . 1 1 89 89 VAL C C 89 176.695 176.695 176.973 -0.278 25919 6931 1 11 . 1 1 89 89 VAL CA C 89 63.592 63.592 66.168 -2.576 25919 6932 1 11 . 1 1 89 89 VAL CB C 89 32.422 32.422 31.058 1.363 25919 6933 1 11 . 1 1 89 89 VAL H H 89 8.144 8.144 7.323 0.821 25919 6934 1 11 . 1 1 90 90 SER N N 90 116.778 116.778 110.967 5.811 25919 6935 1 11 . 1 1 90 90 SER HA H 90 4.561 4.561 4.381 0.180 25919 6936 1 11 . 1 1 90 90 SER C C 90 173.898 173.898 174.764 -0.866 25919 6937 1 11 . 1 1 90 90 SER CA C 90 57.895 57.895 57.958 -0.063 25919 6938 1 11 . 1 1 90 90 SER CB C 90 63.133 63.133 63.315 -0.182 25919 6939 1 11 . 1 1 90 90 SER H H 90 8.322 8.322 7.971 0.351 25919 6940 1 11 . 1 1 91 91 VAL N N 91 120.735 120.735 124.490 -3.755 25919 6941 1 11 . 1 1 91 91 VAL HA H 91 4.286 4.286 4.122 0.164 25919 6942 1 11 . 1 1 91 91 VAL CA C 91 62.846 62.846 62.221 0.625 25919 6943 1 11 . 1 1 91 91 VAL CB C 91 32.069 32.069 31.601 0.468 25919 6944 1 11 . 1 1 91 91 VAL H H 91 8.036 8.036 7.624 0.412 25919 6945 1 11 . 1 1 92 92 SER N N 92 118.146 118.146 122.121 -3.975 25919 6946 1 11 . 1 1 92 92 SER HA H 92 4.549 4.549 4.400 0.149 25919 6947 1 11 . 1 1 92 92 SER CA C 92 57.813 57.813 58.644 -0.831 25919 6948 1 11 . 1 1 92 92 SER CB C 92 63.488 63.488 63.159 0.329 25919 6949 1 11 . 1 1 92 92 SER H H 92 8.470 8.470 8.853 -0.383 25919 6950 1 11 . 1 1 93 93 THR N N 93 119.747 119.747 119.356 0.391 25919 6951 1 11 . 1 1 93 93 THR HA H 93 4.467 4.467 4.279 0.188 25919 6952 1 11 . 1 1 93 93 THR CA C 93 61.005 61.005 62.292 -1.287 25919 6953 1 11 . 1 1 93 93 THR CB C 93 70.592 70.592 68.468 2.124 25919 6954 1 11 . 1 1 93 93 THR H H 93 7.382 7.382 7.817 -0.435 25919 6955 1 11 . 1 1 94 94 PRO HA H 94 4.424 4.424 4.402 0.022 25919 6956 1 11 . 1 1 94 94 PRO CA C 94 63.060 63.060 63.418 -0.358 25919 6957 1 11 . 1 1 94 94 PRO CB C 94 32.798 32.798 32.192 0.606 25919 6958 1 11 . 1 1 95 95 ILE N N 95 124.894 124.894 124.629 0.265 25919 6959 1 11 . 1 1 95 95 ILE HA H 95 3.984 3.984 3.875 0.109 25919 6960 1 11 . 1 1 95 95 ILE CA C 95 63.963 63.963 62.663 1.300 25919 6961 1 11 . 1 1 95 95 ILE CB C 95 38.200 38.200 38.288 -0.088 25919 6962 1 11 . 1 1 95 95 ILE H H 95 9.358 9.358 8.774 0.584 25919 6963 1 11 . 1 1 96 96 SER N N 96 117.523 117.523 115.864 1.659 25919 6964 1 11 . 1 1 96 96 SER HA H 96 4.004 4.004 4.153 -0.149 25919 6965 1 11 . 1 1 96 96 SER CA C 96 61.700 61.700 61.935 -0.235 25919 6966 1 11 . 1 1 96 96 SER CB C 96 61.400 61.400 62.681 -1.281 25919 6967 1 11 . 1 1 96 96 SER H H 96 8.202 8.202 8.285 -0.083 25919 6968 1 11 . 1 1 97 97 GLU N N 97 123.657 123.657 122.368 1.289 25919 6969 1 11 . 1 1 97 97 GLU HA H 97 4.282 4.282 4.215 0.067 25919 6970 1 11 . 1 1 97 97 GLU CA C 97 58.700 58.700 58.867 -0.167 25919 6971 1 11 . 1 1 97 97 GLU CB C 97 29.800 29.800 29.341 0.459 25919 6972 1 11 . 1 1 97 97 GLU H H 97 7.301 7.301 7.732 -0.431 25919 6973 1 11 . 1 1 98 98 VAL N N 98 121.907 121.907 120.200 1.707 25919 6974 1 11 . 1 1 98 98 VAL HA H 98 3.797 3.797 3.734 0.063 25919 6975 1 11 . 1 1 98 98 VAL CA C 98 65.949 65.949 66.621 -0.672 25919 6976 1 11 . 1 1 98 98 VAL CB C 98 32.186 32.186 31.301 0.885 25919 6977 1 11 . 1 1 98 98 VAL H H 98 7.410 7.410 7.987 -0.577 25919 6978 1 11 . 1 1 99 99 TYR N N 99 119.526 119.526 121.551 -2.025 25919 6979 1 11 . 1 1 99 99 TYR HA H 99 4.016 4.016 3.991 0.025 25919 6980 1 11 . 1 1 99 99 TYR C C 99 175.741 175.741 177.540 -1.799 25919 6981 1 11 . 1 1 99 99 TYR CA C 99 62.229 62.229 62.013 0.216 25919 6982 1 11 . 1 1 99 99 TYR CB C 99 38.967 38.967 38.425 0.542 25919 6983 1 11 . 1 1 99 99 TYR H H 99 9.071 9.071 8.541 0.530 25919 6984 1 11 . 1 1 100 100 GLU N N 100 114.405 114.405 117.011 -2.606 25919 6985 1 11 . 1 1 100 100 GLU HA H 100 3.850 3.850 3.688 0.162 25919 6986 1 11 . 1 1 100 100 GLU C C 100 178.094 178.094 177.903 0.191 25919 6987 1 11 . 1 1 100 100 GLU CA C 100 58.920 58.920 58.595 0.325 25919 6988 1 11 . 1 1 100 100 GLU CB C 100 29.481 29.481 29.026 0.455 25919 6989 1 11 . 1 1 100 100 GLU H H 100 7.342 7.342 8.450 -1.108 25919 6990 1 11 . 1 1 101 101 SER N N 101 109.656 109.656 112.459 -2.803 25919 6991 1 11 . 1 1 101 101 SER HA H 101 4.529 4.529 4.405 0.124 25919 6992 1 11 . 1 1 101 101 SER C C 101 176.681 176.681 175.829 0.852 25919 6993 1 11 . 1 1 101 101 SER CA C 101 60.313 60.313 59.825 0.488 25919 6994 1 11 . 1 1 101 101 SER CB C 101 64.703 64.703 64.202 0.501 25919 6995 1 11 . 1 1 101 101 SER H H 101 7.410 7.410 7.599 -0.189 25919 6996 1 11 . 1 1 102 102 GLU N N 102 117.283 117.283 118.607 -1.324 25919 6997 1 11 . 1 1 102 102 GLU HA H 102 4.721 4.721 4.609 0.112 25919 6998 1 11 . 1 1 102 102 GLU CA C 102 55.592 55.592 55.273 0.319 25919 6999 1 11 . 1 1 102 102 GLU CB C 102 30.564 30.564 30.885 -0.321 25919 7000 1 11 . 1 1 102 102 GLU H H 102 8.500 8.500 8.074 0.426 25919 7001 1 11 . 1 1 103 103 LYS N N 103 118.772 118.772 122.089 -3.317 25919 7002 1 11 . 1 1 103 103 LYS HA H 103 4.179 4.179 4.187 -0.008 25919 7003 1 11 . 1 1 103 103 LYS C C 103 175.032 175.032 176.405 -1.373 25919 7004 1 11 . 1 1 103 103 LYS CA C 103 57.154 57.154 57.467 -0.313 25919 7005 1 11 . 1 1 103 103 LYS CB C 103 32.238 32.238 32.467 -0.229 25919 7006 1 11 . 1 1 103 103 LYS H H 103 7.777 7.777 7.752 0.025 25919 7007 1 11 . 1 1 104 104 ASP N N 104 124.024 124.024 127.366 -3.342 25919 7008 1 11 . 1 1 104 104 ASP HA H 104 5.032 5.032 4.763 0.269 25919 7009 1 11 . 1 1 104 104 ASP C C 104 177.548 177.548 178.212 -0.664 25919 7010 1 11 . 1 1 104 104 ASP CA C 104 53.882 53.882 52.937 0.945 25919 7011 1 11 . 1 1 104 104 ASP CB C 104 43.420 43.420 42.955 0.465 25919 7012 1 11 . 1 1 104 104 ASP H H 104 9.030 9.030 8.959 0.071 25919 7013 1 11 . 1 1 105 105 GLU N N 105 125.669 125.669 119.131 6.538 25919 7014 1 11 . 1 1 105 105 GLU HA H 105 4.179 4.179 4.175 0.004 25919 7015 1 11 . 1 1 105 105 GLU CA C 105 59.526 59.526 58.965 0.561 25919 7016 1 11 . 1 1 105 105 GLU CB C 105 30.036 30.036 29.396 0.640 25919 7017 1 11 . 1 1 105 105 GLU H H 105 8.894 8.894 8.942 -0.048 25919 7018 1 11 . 1 1 106 106 ASP N N 106 119.257 119.257 114.844 4.413 25919 7019 1 11 . 1 1 106 106 ASP HA H 106 4.180 4.180 4.500 -0.320 25919 7020 1 11 . 1 1 106 106 ASP C C 106 176.018 176.018 176.815 -0.797 25919 7021 1 11 . 1 1 106 106 ASP CA C 106 54.750 54.750 53.583 1.167 25919 7022 1 11 . 1 1 106 106 ASP CB C 106 40.250 40.250 40.182 0.068 25919 7023 1 11 . 1 1 106 106 ASP H H 106 9.838 9.838 8.345 1.493 25919 7024 1 11 . 1 1 107 107 GLY N N 107 106.307 106.307 107.342 -1.035 25919 7025 1 11 . 1 1 107 107 GLY CA C 107 45.125 45.125 45.580 -0.455 25919 7026 1 11 . 1 1 107 107 GLY H H 107 7.945 7.945 8.156 -0.211 25919 7027 1 11 . 1 1 108 108 PHE N N 108 124.389 124.389 119.262 5.127 25919 7028 1 11 . 1 1 108 108 PHE HA H 108 4.670 4.670 4.658 0.012 25919 7029 1 11 . 1 1 108 108 PHE C C 108 179.501 179.501 174.991 4.510 25919 7030 1 11 . 1 1 108 108 PHE CA C 108 60.288 60.288 58.128 2.160 25919 7031 1 11 . 1 1 108 108 PHE CB C 108 40.506 40.506 40.888 -0.382 25919 7032 1 11 . 1 1 108 108 PHE H H 108 9.739 9.739 8.597 1.142 25919 7033 1 11 . 1 1 109 109 LEU N N 109 120.814 120.814 124.459 -3.645 25919 7034 1 11 . 1 1 109 109 LEU HA H 109 5.038 5.038 4.824 0.214 25919 7035 1 11 . 1 1 109 109 LEU CA C 109 53.479 53.479 53.899 -0.420 25919 7036 1 11 . 1 1 109 109 LEU CB C 109 45.197 45.197 42.428 2.769 25919 7037 1 11 . 1 1 109 109 LEU H H 109 7.968 7.968 8.731 -0.763 25919 7038 1 11 . 1 1 110 110 TYR N N 110 127.403 127.403 127.745 -0.342 25919 7039 1 11 . 1 1 110 110 TYR HA H 110 4.907 4.907 4.863 0.044 25919 7040 1 11 . 1 1 110 110 TYR CA C 110 59.259 59.259 58.861 0.398 25919 7041 1 11 . 1 1 110 110 TYR CB C 110 39.469 39.469 39.641 -0.172 25919 7042 1 11 . 1 1 110 110 TYR H H 110 9.349 9.349 8.527 0.822 25919 7043 1 11 . 1 1 111 111 MET N N 111 120.344 120.344 122.295 -1.951 25919 7044 1 11 . 1 1 111 111 MET HA H 111 5.543 5.543 5.145 0.398 25919 7045 1 11 . 1 1 111 111 MET CA C 111 54.341 54.341 54.690 -0.349 25919 7046 1 11 . 1 1 111 111 MET CB C 111 36.894 36.894 35.451 1.443 25919 7047 1 11 . 1 1 111 111 MET H H 111 9.575 9.575 9.191 0.384 25919 7048 1 11 . 1 1 112 112 VAL N N 112 121.026 121.026 123.765 -2.739 25919 7049 1 11 . 1 1 112 112 VAL HA H 112 5.938 5.938 4.888 1.050 25919 7050 1 11 . 1 1 112 112 VAL C C 112 176.696 176.696 175.232 1.464 25919 7051 1 11 . 1 1 112 112 VAL CA C 112 59.068 59.068 61.297 -2.229 25919 7052 1 11 . 1 1 112 112 VAL CB C 112 36.180 36.180 33.051 3.129 25919 7053 1 11 . 1 1 112 112 VAL H H 112 8.730 8.730 9.110 -0.380 25919 7054 1 11 . 1 1 113 113 TYR N N 113 119.995 119.995 129.649 -9.654 25919 7055 1 11 . 1 1 113 113 TYR HA H 113 6.143 6.143 5.661 0.482 25919 7056 1 11 . 1 1 113 113 TYR C C 113 173.533 173.533 173.273 0.260 25919 7057 1 11 . 1 1 113 113 TYR CA C 113 54.165 54.165 55.269 -1.104 25919 7058 1 11 . 1 1 113 113 TYR CB C 113 43.667 43.667 40.569 3.098 25919 7059 1 11 . 1 1 113 113 TYR H H 113 8.172 8.172 9.130 -0.958 25919 7060 1 11 . 1 1 114 114 ALA N N 114 120.454 120.454 129.692 -9.238 25919 7061 1 11 . 1 1 114 114 ALA HA H 114 4.750 4.750 4.709 0.041 25919 7062 1 11 . 1 1 114 114 ALA C C 114 176.007 176.007 175.467 0.540 25919 7063 1 11 . 1 1 114 114 ALA CA C 114 51.356 51.356 51.366 -0.010 25919 7064 1 11 . 1 1 114 114 ALA CB C 114 24.623 24.623 21.996 2.627 25919 7065 1 11 . 1 1 114 114 ALA H H 114 8.499 8.499 8.868 -0.369 25919 7066 1 11 . 1 1 115 115 SER N N 115 115.279 115.279 114.158 1.121 25919 7067 1 11 . 1 1 115 115 SER HA H 115 4.505 4.505 4.547 -0.042 25919 7068 1 11 . 1 1 115 115 SER C C 115 172.860 172.860 173.492 -0.632 25919 7069 1 11 . 1 1 115 115 SER CA C 115 58.837 58.837 59.432 -0.595 25919 7070 1 11 . 1 1 115 115 SER CB C 115 63.798 63.798 63.127 0.671 25919 7071 1 11 . 1 1 115 115 SER H H 115 9.823 9.823 8.815 1.008 25919 7072 1 11 . 1 1 116 116 GLN N N 116 117.398 117.398 116.388 1.010 25919 7073 1 11 . 1 1 116 116 GLN HA H 116 4.453 4.453 3.661 0.792 25919 7074 1 11 . 1 1 116 116 GLN C C 116 173.181 173.181 173.151 0.030 25919 7075 1 11 . 1 1 116 116 GLN CA C 116 54.024 54.024 54.282 -0.258 25919 7076 1 11 . 1 1 116 116 GLN CB C 116 32.179 32.179 29.095 3.084 25919 7077 1 11 . 1 1 116 116 GLN H H 116 7.165 7.165 7.143 0.022 25919 7078 1 11 . 1 1 117 117 GLU N N 117 118.885 118.885 119.320 -0.435 25919 7079 1 11 . 1 1 117 117 GLU HA H 117 3.224 3.224 3.957 -0.733 25919 7080 1 11 . 1 1 117 117 GLU C C 117 175.451 175.451 176.087 -0.636 25919 7081 1 11 . 1 1 117 117 GLU CA C 117 56.917 56.917 57.835 -0.918 25919 7082 1 11 . 1 1 117 117 GLU CB C 117 30.206 30.206 29.948 0.258 25919 7083 1 11 . 1 1 117 117 GLU H H 117 7.873 7.873 8.050 -0.177 25919 7084 1 11 . 1 1 118 118 THR N N 118 110.883 110.883 110.892 -0.009 25919 7085 1 11 . 1 1 118 118 THR HA H 118 4.074 4.074 3.786 0.288 25919 7086 1 11 . 1 1 118 118 THR C C 118 173.234 173.234 173.806 -0.572 25919 7087 1 11 . 1 1 118 118 THR CA C 118 60.300 60.300 62.094 -1.794 25919 7088 1 11 . 1 1 118 118 THR CB C 118 70.118 70.118 69.453 0.665 25919 7089 1 11 . 1 1 118 118 THR H H 118 6.988 6.988 7.351 -0.363 25919 7090 1 11 . 1 1 119 119 PHE N N 119 122.773 122.773 116.901 5.872 25919 7091 1 11 . 1 1 119 119 PHE HA H 119 4.397 4.397 4.675 -0.278 25919 7092 1 11 . 1 1 119 119 PHE C C 119 175.045 175.045 174.944 0.101 25919 7093 1 11 . 1 1 119 119 PHE CA C 119 56.810 56.810 56.605 0.205 25919 7094 1 11 . 1 1 119 119 PHE CB C 119 39.349 39.349 38.836 0.513 25919 7095 1 11 . 1 1 119 119 PHE H H 119 8.122 8.122 7.513 0.609 25919 7096 1 12 . 1 1 2 2 PRO HA H 2 4.424 4.424 4.741 -0.317 25919 7097 1 12 . 1 1 2 2 PRO C C 2 176.917 176.917 175.615 1.302 25919 7098 1 12 . 1 1 2 2 PRO CA C 2 63.418 63.418 63.082 0.336 25919 7099 1 12 . 1 1 2 2 PRO CB C 2 32.160 32.160 30.834 1.326 25919 7100 1 12 . 1 1 3 3 SER N N 3 116.273 116.273 117.597 -1.324 25919 7101 1 12 . 1 1 3 3 SER HA H 3 4.389 4.389 4.589 -0.200 25919 7102 1 12 . 1 1 3 3 SER C C 3 174.762 174.762 175.126 -0.364 25919 7103 1 12 . 1 1 3 3 SER CA C 3 58.472 58.472 56.437 2.035 25919 7104 1 12 . 1 1 3 3 SER CB C 3 63.913 63.913 64.756 -0.843 25919 7105 1 12 . 1 1 3 3 SER H H 3 8.366 8.366 7.782 0.584 25919 7106 1 12 . 1 1 4 4 GLU N N 4 123.959 123.959 122.010 1.949 25919 7107 1 12 . 1 1 4 4 GLU HA H 4 4.289 4.289 4.359 -0.070 25919 7108 1 12 . 1 1 4 4 GLU C C 4 176.545 176.545 176.320 0.225 25919 7109 1 12 . 1 1 4 4 GLU CA C 4 56.785 56.785 58.461 -1.676 25919 7110 1 12 . 1 1 4 4 GLU CB C 4 30.200 30.200 29.873 0.327 25919 7111 1 12 . 1 1 4 4 GLU H H 4 8.513 8.513 8.696 -0.183 25919 7112 1 12 . 1 1 5 5 LYS N N 5 122.165 122.165 119.287 2.878 25919 7113 1 12 . 1 1 5 5 LYS HA H 5 4.508 4.508 4.404 0.104 25919 7114 1 12 . 1 1 5 5 LYS C C 5 177.178 177.178 176.163 1.015 25919 7115 1 12 . 1 1 5 5 LYS CA C 5 56.000 56.000 55.507 0.493 25919 7116 1 12 . 1 1 5 5 LYS CB C 5 34.758 34.758 33.229 1.529 25919 7117 1 12 . 1 1 5 5 LYS H H 5 8.198 8.198 7.605 0.593 25919 7118 1 12 . 1 1 6 6 THR N N 6 115.586 115.586 113.553 2.033 25919 7119 1 12 . 1 1 6 6 THR HA H 6 4.426 4.426 4.308 0.118 25919 7120 1 12 . 1 1 6 6 THR C C 6 175.570 175.570 176.625 -1.055 25919 7121 1 12 . 1 1 6 6 THR CA C 6 61.120 61.120 61.261 -0.141 25919 7122 1 12 . 1 1 6 6 THR CB C 6 69.871 69.871 69.999 -0.128 25919 7123 1 12 . 1 1 6 6 THR H H 6 8.423 8.423 8.080 0.343 25919 7124 1 12 . 1 1 7 7 PHE N N 7 126.100 126.100 117.599 8.501 25919 7125 1 12 . 1 1 7 7 PHE HA H 7 3.935 3.935 4.404 -0.469 25919 7126 1 12 . 1 1 7 7 PHE CA C 7 63.687 63.687 59.503 4.184 25919 7127 1 12 . 1 1 7 7 PHE CB C 7 39.656 39.656 38.004 1.653 25919 7128 1 12 . 1 1 7 7 PHE H H 7 10.276 10.276 8.799 1.477 25919 7129 1 12 . 1 1 8 8 LYS N N 8 115.026 115.026 120.878 -5.852 25919 7130 1 12 . 1 1 8 8 LYS HA H 8 3.800 3.800 4.432 -0.632 25919 7131 1 12 . 1 1 8 8 LYS CA C 8 59.944 59.944 57.357 2.587 25919 7132 1 12 . 1 1 8 8 LYS CB C 8 33.852 33.852 31.646 2.205 25919 7133 1 12 . 1 1 8 8 LYS H H 8 8.707 8.707 7.256 1.451 25919 7134 1 12 . 1 1 9 9 GLN N N 9 113.774 113.774 117.843 -4.069 25919 7135 1 12 . 1 1 9 9 GLN HA H 9 4.178 4.178 4.133 0.045 25919 7136 1 12 . 1 1 9 9 GLN C C 9 173.193 173.193 177.398 -4.205 25919 7137 1 12 . 1 1 9 9 GLN CA C 9 56.741 56.741 58.108 -1.367 25919 7138 1 12 . 1 1 9 9 GLN CB C 9 30.065 30.065 28.986 1.079 25919 7139 1 12 . 1 1 9 9 GLN H H 9 7.343 7.343 7.544 -0.201 25919 7140 1 12 . 1 1 10 10 ARG N N 10 119.156 119.156 117.366 1.790 25919 7141 1 12 . 1 1 10 10 ARG HA H 10 4.248 4.248 4.411 -0.163 25919 7142 1 12 . 1 1 10 10 ARG CA C 10 57.555 57.555 56.721 0.834 25919 7143 1 12 . 1 1 10 10 ARG CB C 10 31.771 31.771 32.216 -0.445 25919 7144 1 12 . 1 1 10 10 ARG H H 10 7.912 7.912 7.818 0.094 25919 7145 1 12 . 1 1 11 11 ARG N N 11 120.777 120.777 118.261 2.516 25919 7146 1 12 . 1 1 11 11 ARG HA H 11 4.685 4.685 5.210 -0.525 25919 7147 1 12 . 1 1 11 11 ARG CA C 11 53.161 53.161 53.705 -0.544 25919 7148 1 12 . 1 1 11 11 ARG CB C 11 32.773 32.773 33.806 -1.033 25919 7149 1 12 . 1 1 11 11 ARG H H 11 7.341 7.341 8.363 -1.022 25919 7150 1 12 . 1 1 12 12 THR N N 12 116.696 116.696 113.634 3.062 25919 7151 1 12 . 1 1 12 12 THR HA H 12 4.358 4.358 4.739 -0.381 25919 7152 1 12 . 1 1 12 12 THR C C 12 175.056 175.056 175.875 -0.819 25919 7153 1 12 . 1 1 12 12 THR CA C 12 61.795 61.795 60.485 1.310 25919 7154 1 12 . 1 1 12 12 THR CB C 12 71.050 71.050 70.941 0.109 25919 7155 1 12 . 1 1 12 12 THR H H 12 8.855 8.855 9.047 -0.192 25919 7156 1 12 . 1 1 13 13 PHE N N 13 123.894 123.894 122.367 1.527 25919 7157 1 12 . 1 1 13 13 PHE HA H 13 4.043 4.043 4.313 -0.270 25919 7158 1 12 . 1 1 13 13 PHE C C 13 176.234 176.234 176.908 -0.674 25919 7159 1 12 . 1 1 13 13 PHE CA C 13 62.947 62.947 62.292 0.655 25919 7160 1 12 . 1 1 13 13 PHE CB C 13 39.571 39.571 39.511 0.060 25919 7161 1 12 . 1 1 13 13 PHE H H 13 9.221 9.221 9.053 0.168 25919 7162 1 12 . 1 1 14 14 GLU N N 14 116.516 116.516 118.001 -1.485 25919 7163 1 12 . 1 1 14 14 GLU HA H 14 3.812 3.812 3.742 0.070 25919 7164 1 12 . 1 1 14 14 GLU CA C 14 60.699 60.699 59.525 1.174 25919 7165 1 12 . 1 1 14 14 GLU CB C 14 28.943 28.943 29.181 -0.238 25919 7166 1 12 . 1 1 14 14 GLU H H 14 9.002 9.002 8.709 0.293 25919 7167 1 12 . 1 1 15 15 GLN N N 15 119.291 119.291 118.367 0.924 25919 7168 1 12 . 1 1 15 15 GLN HA H 15 4.024 4.024 4.021 0.003 25919 7169 1 12 . 1 1 15 15 GLN C C 15 175.263 175.263 178.375 -3.112 25919 7170 1 12 . 1 1 15 15 GLN CA C 15 58.800 58.800 58.726 0.074 25919 7171 1 12 . 1 1 15 15 GLN CB C 15 29.300 29.300 28.587 0.713 25919 7172 1 12 . 1 1 15 15 GLN H H 15 7.706 7.706 7.683 0.023 25919 7173 1 12 . 1 1 16 16 ARG N N 16 122.883 122.883 119.877 3.006 25919 7174 1 12 . 1 1 16 16 ARG HA H 16 4.235 4.235 3.770 0.465 25919 7175 1 12 . 1 1 16 16 ARG CA C 16 61.660 61.660 58.440 3.220 25919 7176 1 12 . 1 1 16 16 ARG CB C 16 30.877 30.877 29.412 1.465 25919 7177 1 12 . 1 1 16 16 ARG H H 16 8.567 8.567 7.925 0.642 25919 7178 1 12 . 1 1 17 17 VAL N N 17 118.523 118.523 119.523 -1.000 25919 7179 1 12 . 1 1 17 17 VAL HA H 17 3.865 3.865 3.621 0.244 25919 7180 1 12 . 1 1 17 17 VAL C C 17 174.213 174.213 178.252 -4.039 25919 7181 1 12 . 1 1 17 17 VAL CA C 17 65.550 65.550 66.161 -0.611 25919 7182 1 12 . 1 1 17 17 VAL CB C 17 32.171 32.171 30.768 1.403 25919 7183 1 12 . 1 1 17 17 VAL H H 17 8.430 8.430 8.013 0.417 25919 7184 1 12 . 1 1 18 18 GLU N N 18 120.170 120.170 119.831 0.339 25919 7185 1 12 . 1 1 18 18 GLU HA H 18 4.212 4.212 3.866 0.346 25919 7186 1 12 . 1 1 18 18 GLU C C 18 175.758 175.758 178.579 -2.821 25919 7187 1 12 . 1 1 18 18 GLU CA C 18 58.488 58.488 59.702 -1.214 25919 7188 1 12 . 1 1 18 18 GLU CB C 18 29.360 29.360 29.248 0.112 25919 7189 1 12 . 1 1 18 18 GLU H H 18 7.423 7.423 7.935 -0.512 25919 7190 1 12 . 1 1 19 19 ASP N N 19 121.273 121.273 120.056 1.217 25919 7191 1 12 . 1 1 19 19 ASP HA H 19 4.384 4.384 4.288 0.096 25919 7192 1 12 . 1 1 19 19 ASP C C 19 177.016 177.016 178.512 -1.496 25919 7193 1 12 . 1 1 19 19 ASP CA C 19 56.900 56.900 57.086 -0.186 25919 7194 1 12 . 1 1 19 19 ASP CB C 19 41.884 41.884 40.518 1.366 25919 7195 1 12 . 1 1 19 19 ASP H H 19 7.955 7.955 7.988 -0.033 25919 7196 1 12 . 1 1 20 20 VAL N N 20 119.523 119.523 119.887 -0.364 25919 7197 1 12 . 1 1 20 20 VAL HA H 20 3.232 3.232 3.530 -0.298 25919 7198 1 12 . 1 1 20 20 VAL C C 20 173.876 173.876 177.990 -4.114 25919 7199 1 12 . 1 1 20 20 VAL CA C 20 66.128 66.128 66.258 -0.130 25919 7200 1 12 . 1 1 20 20 VAL CB C 20 31.099 31.099 31.074 0.025 25919 7201 1 12 . 1 1 20 20 VAL H H 20 7.818 7.818 8.000 -0.182 25919 7202 1 12 . 1 1 21 21 ARG N N 21 120.310 120.310 120.922 -0.612 25919 7203 1 12 . 1 1 21 21 ARG HA H 21 3.803 3.803 3.998 -0.195 25919 7204 1 12 . 1 1 21 21 ARG CA C 21 59.934 59.934 60.007 -0.073 25919 7205 1 12 . 1 1 21 21 ARG CB C 21 30.076 30.076 30.083 -0.007 25919 7206 1 12 . 1 1 21 21 ARG H H 21 8.037 8.037 8.005 0.032 25919 7207 1 12 . 1 1 22 22 LEU N N 22 118.660 118.660 120.306 -1.646 25919 7208 1 12 . 1 1 22 22 LEU HA H 22 4.094 4.094 4.012 0.082 25919 7209 1 12 . 1 1 22 22 LEU C C 22 177.626 177.626 179.401 -1.775 25919 7210 1 12 . 1 1 22 22 LEU CA C 22 57.738 57.738 58.616 -0.878 25919 7211 1 12 . 1 1 22 22 LEU CB C 22 42.222 42.222 41.747 0.475 25919 7212 1 12 . 1 1 22 22 LEU H H 22 8.050 8.050 8.140 -0.090 25919 7213 1 12 . 1 1 23 23 ILE N N 23 122.825 122.825 119.559 3.266 25919 7214 1 12 . 1 1 23 23 ILE HA H 23 4.122 4.122 3.549 0.573 25919 7215 1 12 . 1 1 23 23 ILE C C 23 176.226 176.226 178.376 -2.150 25919 7216 1 12 . 1 1 23 23 ILE CA C 23 61.243 61.243 64.226 -2.983 25919 7217 1 12 . 1 1 23 23 ILE CB C 23 38.268 38.268 36.592 1.676 25919 7218 1 12 . 1 1 23 23 ILE H H 23 8.390 8.390 8.389 0.001 25919 7219 1 12 . 1 1 24 24 ARG N N 24 122.365 122.365 119.100 3.265 25919 7220 1 12 . 1 1 24 24 ARG HA H 24 4.017 4.017 4.086 -0.069 25919 7221 1 12 . 1 1 24 24 ARG CA C 24 57.684 57.684 58.027 -0.343 25919 7222 1 12 . 1 1 24 24 ARG CB C 24 28.817 28.817 29.639 -0.822 25919 7223 1 12 . 1 1 24 24 ARG H H 24 8.540 8.540 8.331 0.209 25919 7224 1 12 . 1 1 25 25 GLU N N 25 118.383 118.383 117.992 0.391 25919 7225 1 12 . 1 1 25 25 GLU HA H 25 4.044 4.044 4.124 -0.080 25919 7226 1 12 . 1 1 25 25 GLU CA C 25 58.680 58.680 58.518 0.162 25919 7227 1 12 . 1 1 25 25 GLU CB C 25 29.850 29.850 29.734 0.116 25919 7228 1 12 . 1 1 25 25 GLU H H 25 7.287 7.287 8.006 -0.719 25919 7229 1 12 . 1 1 26 26 GLN N N 26 117.165 117.165 116.656 0.509 25919 7230 1 12 . 1 1 26 26 GLN HA H 26 3.948 3.948 4.232 -0.284 25919 7231 1 12 . 1 1 26 26 GLN C C 26 176.221 176.221 176.943 -0.722 25919 7232 1 12 . 1 1 26 26 GLN CA C 26 57.638 57.638 57.222 0.416 25919 7233 1 12 . 1 1 26 26 GLN CB C 26 30.320 30.320 29.887 0.433 25919 7234 1 12 . 1 1 26 26 GLN H H 26 7.423 7.423 7.575 -0.152 25919 7235 1 12 . 1 1 27 27 HIS N N 27 117.140 117.140 118.345 -1.205 25919 7236 1 12 . 1 1 27 27 HIS HA H 27 4.866 4.866 5.099 -0.233 25919 7237 1 12 . 1 1 27 27 HIS CA C 27 53.305 53.305 52.330 0.975 25919 7238 1 12 . 1 1 27 27 HIS CB C 27 30.917 30.917 30.475 0.442 25919 7239 1 12 . 1 1 27 27 HIS H H 27 8.254 8.254 8.290 -0.036 25919 7240 1 12 . 1 1 28 28 PRO HA H 28 4.609 4.609 4.345 0.264 25919 7241 1 12 . 1 1 28 28 PRO CA C 28 64.881 64.881 64.768 0.113 25919 7242 1 12 . 1 1 28 28 PRO CB C 28 32.554 32.554 31.933 0.621 25919 7243 1 12 . 1 1 29 29 THR N N 29 107.339 107.339 108.395 -1.056 25919 7244 1 12 . 1 1 29 29 THR HA H 29 4.644 4.644 4.184 0.460 25919 7245 1 12 . 1 1 29 29 THR C C 29 172.933 172.933 173.986 -1.053 25919 7246 1 12 . 1 1 29 29 THR CA C 29 60.600 60.600 62.638 -2.038 25919 7247 1 12 . 1 1 29 29 THR CB C 29 68.520 68.520 68.657 -0.137 25919 7248 1 12 . 1 1 29 29 THR H H 29 7.764 7.764 8.380 -0.616 25919 7249 1 12 . 1 1 30 30 LYS N N 30 118.273 118.273 121.050 -2.777 25919 7250 1 12 . 1 1 30 30 LYS HA H 30 4.926 4.926 5.007 -0.081 25919 7251 1 12 . 1 1 30 30 LYS C C 30 175.010 175.010 174.688 0.322 25919 7252 1 12 . 1 1 30 30 LYS CA C 30 53.740 53.740 54.817 -1.077 25919 7253 1 12 . 1 1 30 30 LYS CB C 30 36.445 36.445 35.801 0.644 25919 7254 1 12 . 1 1 30 30 LYS H H 30 7.478 7.478 7.597 -0.119 25919 7255 1 12 . 1 1 31 31 ILE N N 31 123.498 123.498 121.887 1.611 25919 7256 1 12 . 1 1 31 31 ILE HA H 31 4.139 4.139 4.330 -0.191 25919 7257 1 12 . 1 1 31 31 ILE CA C 31 54.669 54.669 56.154 -1.484 25919 7258 1 12 . 1 1 31 31 ILE CB C 31 38.427 38.427 38.791 -0.364 25919 7259 1 12 . 1 1 31 31 ILE H H 31 9.235 9.235 8.852 0.383 25919 7260 1 12 . 1 1 32 32 PRO HA H 32 5.212 5.212 4.550 0.662 25919 7261 1 12 . 1 1 32 32 PRO C C 32 174.832 174.832 175.407 -0.575 25919 7262 1 12 . 1 1 32 32 PRO CA C 32 61.678 61.678 62.266 -0.588 25919 7263 1 12 . 1 1 32 32 PRO CB C 32 30.993 30.993 30.953 0.040 25919 7264 1 12 . 1 1 33 33 VAL N N 33 124.964 124.964 126.842 -1.878 25919 7265 1 12 . 1 1 33 33 VAL HA H 33 5.234 5.234 5.086 0.148 25919 7266 1 12 . 1 1 33 33 VAL CA C 33 59.611 59.611 61.081 -1.470 25919 7267 1 12 . 1 1 33 33 VAL CB C 33 35.711 35.711 34.398 1.313 25919 7268 1 12 . 1 1 33 33 VAL H H 33 9.289 9.289 8.943 0.346 25919 7269 1 12 . 1 1 34 34 ILE N N 34 127.908 127.908 125.907 2.001 25919 7270 1 12 . 1 1 34 34 ILE HA H 34 4.742 4.742 4.734 0.008 25919 7271 1 12 . 1 1 34 34 ILE CA C 34 56.330 56.330 58.534 -2.204 25919 7272 1 12 . 1 1 34 34 ILE CB C 34 36.629 36.629 39.636 -3.007 25919 7273 1 12 . 1 1 34 34 ILE H H 34 8.594 8.594 8.988 -0.394 25919 7274 1 12 . 1 1 35 35 ILE N N 35 125.405 125.405 125.349 0.056 25919 7275 1 12 . 1 1 35 35 ILE HA H 35 4.879 4.879 5.297 -0.418 25919 7276 1 12 . 1 1 35 35 ILE C C 35 176.126 176.126 174.268 1.858 25919 7277 1 12 . 1 1 35 35 ILE CA C 35 60.923 60.923 58.897 2.026 25919 7278 1 12 . 1 1 35 35 ILE CB C 35 38.968 38.968 41.956 -2.988 25919 7279 1 12 . 1 1 35 35 ILE H H 35 8.545 8.545 8.748 -0.203 25919 7280 1 12 . 1 1 36 36 GLU N N 36 124.153 124.153 126.211 -2.058 25919 7281 1 12 . 1 1 36 36 GLU HA H 36 4.789 4.789 4.844 -0.055 25919 7282 1 12 . 1 1 36 36 GLU C C 36 173.645 173.645 174.643 -0.998 25919 7283 1 12 . 1 1 36 36 GLU CA C 36 54.282 54.282 54.919 -0.637 25919 7284 1 12 . 1 1 36 36 GLU CB C 36 35.401 35.401 34.271 1.130 25919 7285 1 12 . 1 1 36 36 GLU H H 36 8.363 8.363 8.471 -0.108 25919 7286 1 12 . 1 1 37 37 ARG N N 37 123.957 123.957 128.163 -4.206 25919 7287 1 12 . 1 1 37 37 ARG HA H 37 2.804 2.804 4.449 -1.645 25919 7288 1 12 . 1 1 37 37 ARG C C 37 176.456 176.456 176.190 0.266 25919 7289 1 12 . 1 1 37 37 ARG CA C 37 56.120 56.120 56.557 -0.437 25919 7290 1 12 . 1 1 37 37 ARG CB C 37 31.500 31.500 30.210 1.290 25919 7291 1 12 . 1 1 37 37 ARG H H 37 8.853 8.853 8.832 0.021 25919 7292 1 12 . 1 1 38 38 TYR N N 38 129.636 129.636 129.396 0.240 25919 7293 1 12 . 1 1 38 38 TYR HA H 38 4.311 4.311 4.332 -0.021 25919 7294 1 12 . 1 1 38 38 TYR CA C 38 57.907 57.907 58.865 -0.959 25919 7295 1 12 . 1 1 38 38 TYR CB C 38 39.567 39.567 39.420 0.147 25919 7296 1 12 . 1 1 38 38 TYR H H 38 8.663 8.663 8.973 -0.310 25919 7297 1 12 . 1 1 39 39 LYS N N 39 130.772 130.772 128.317 2.455 25919 7298 1 12 . 1 1 39 39 LYS HA H 39 3.848 3.848 3.979 -0.131 25919 7299 1 12 . 1 1 39 39 LYS CA C 39 58.986 58.986 57.741 1.245 25919 7300 1 12 . 1 1 39 39 LYS CB C 39 31.777 31.777 32.322 -0.545 25919 7301 1 12 . 1 1 39 39 LYS H H 39 8.389 8.389 8.441 -0.052 25919 7302 1 12 . 1 1 40 40 GLY N N 40 106.013 106.013 112.274 -6.261 25919 7303 1 12 . 1 1 40 40 GLY C C 40 173.407 173.407 174.453 -1.046 25919 7304 1 12 . 1 1 40 40 GLY CA C 40 44.796 44.796 45.514 -0.718 25919 7305 1 12 . 1 1 40 40 GLY H H 40 5.643 5.643 8.624 -2.981 25919 7306 1 12 . 1 1 41 41 GLU N N 41 123.519 123.519 119.111 4.408 25919 7307 1 12 . 1 1 41 41 GLU HA H 41 4.265 4.265 4.477 -0.212 25919 7308 1 12 . 1 1 41 41 GLU C C 41 176.231 176.231 175.546 0.685 25919 7309 1 12 . 1 1 41 41 GLU CA C 41 56.365 56.365 54.728 1.637 25919 7310 1 12 . 1 1 41 41 GLU CB C 41 31.077 31.077 29.879 1.198 25919 7311 1 12 . 1 1 41 41 GLU H H 41 7.464 7.464 7.593 -0.129 25919 7312 1 12 . 1 1 42 42 LYS N N 42 124.405 124.405 120.105 4.300 25919 7313 1 12 . 1 1 42 42 LYS HA H 42 4.669 4.669 4.141 0.528 25919 7314 1 12 . 1 1 42 42 LYS C C 42 177.170 177.170 176.483 0.687 25919 7315 1 12 . 1 1 42 42 LYS CA C 42 55.750 55.750 56.810 -1.060 25919 7316 1 12 . 1 1 42 42 LYS CB C 42 34.929 34.929 31.000 3.929 25919 7317 1 12 . 1 1 42 42 LYS H H 42 8.895 8.895 8.464 0.431 25919 7318 1 12 . 1 1 43 43 GLN N N 43 119.903 119.903 119.116 0.787 25919 7319 1 12 . 1 1 43 43 GLN HA H 43 4.541 4.541 4.125 0.416 25919 7320 1 12 . 1 1 43 43 GLN C C 43 177.260 177.260 176.442 0.818 25919 7321 1 12 . 1 1 43 43 GLN CA C 43 57.566 57.566 57.226 0.340 25919 7322 1 12 . 1 1 43 43 GLN CB C 43 30.620 30.620 29.256 1.364 25919 7323 1 12 . 1 1 43 43 GLN H H 43 8.459 8.459 7.833 0.626 25919 7324 1 12 . 1 1 44 44 LEU N N 44 121.272 121.272 121.128 0.144 25919 7325 1 12 . 1 1 44 44 LEU HA H 44 4.726 4.726 4.515 0.211 25919 7326 1 12 . 1 1 44 44 LEU CA C 44 53.165 53.165 53.027 0.138 25919 7327 1 12 . 1 1 44 44 LEU CB C 44 43.444 43.444 41.266 2.178 25919 7328 1 12 . 1 1 44 44 LEU H H 44 9.002 9.002 8.108 0.894 25919 7329 1 12 . 1 1 45 45 PRO HA H 45 4.722 4.722 4.357 0.365 25919 7330 1 12 . 1 1 45 45 PRO CA C 45 62.169 62.169 63.531 -1.362 25919 7331 1 12 . 1 1 45 45 PRO CB C 45 32.722 32.722 31.859 0.863 25919 7332 1 12 . 1 1 46 46 VAL N N 46 118.403 118.403 126.763 -8.360 25919 7333 1 12 . 1 1 46 46 VAL HA H 46 4.009 4.009 4.240 -0.231 25919 7334 1 12 . 1 1 46 46 VAL C C 46 173.416 173.416 175.055 -1.639 25919 7335 1 12 . 1 1 46 46 VAL CA C 46 62.413 62.413 61.563 0.850 25919 7336 1 12 . 1 1 46 46 VAL CB C 46 33.087 33.087 30.996 2.091 25919 7337 1 12 . 1 1 46 46 VAL H H 46 8.349 8.349 8.642 -0.292 25919 7338 1 12 . 1 1 47 47 LEU N N 47 128.653 128.653 123.972 4.681 25919 7339 1 12 . 1 1 47 47 LEU HA H 47 4.452 4.452 4.256 0.196 25919 7340 1 12 . 1 1 47 47 LEU CA C 47 54.758 54.758 54.996 -0.238 25919 7341 1 12 . 1 1 47 47 LEU CB C 47 44.076 44.076 42.591 1.485 25919 7342 1 12 . 1 1 47 47 LEU H H 47 8.064 8.064 7.775 0.289 25919 7343 1 12 . 1 1 48 48 ASP N N 48 121.042 121.042 118.688 2.354 25919 7344 1 12 . 1 1 48 48 ASP HA H 48 4.347 4.347 4.595 -0.248 25919 7345 1 12 . 1 1 48 48 ASP CA C 48 55.600 55.600 54.375 1.225 25919 7346 1 12 . 1 1 48 48 ASP CB C 48 40.407 40.407 41.156 -0.749 25919 7347 1 12 . 1 1 48 48 ASP H H 48 8.649 8.649 8.480 0.169 25919 7348 1 12 . 1 1 49 49 LYS N N 49 118.877 118.877 115.847 3.030 25919 7349 1 12 . 1 1 49 49 LYS HA H 49 4.541 4.541 4.091 0.450 25919 7350 1 12 . 1 1 49 49 LYS C C 49 179.744 179.744 175.262 4.482 25919 7351 1 12 . 1 1 49 49 LYS CA C 49 54.099 54.099 57.021 -2.922 25919 7352 1 12 . 1 1 49 49 LYS CB C 49 35.378 35.378 32.276 3.102 25919 7353 1 12 . 1 1 49 49 LYS H H 49 7.287 7.287 8.468 -1.181 25919 7354 1 12 . 1 1 50 50 THR N N 50 114.691 114.691 108.383 6.308 25919 7355 1 12 . 1 1 50 50 THR HA H 50 4.628 4.628 4.532 0.096 25919 7356 1 12 . 1 1 50 50 THR CA C 50 63.920 63.920 62.552 1.368 25919 7357 1 12 . 1 1 50 50 THR CB C 50 71.365 71.365 71.438 -0.073 25919 7358 1 12 . 1 1 50 50 THR H H 50 8.064 8.064 8.066 -0.002 25919 7359 1 12 . 1 1 51 51 LYS N N 51 120.273 120.273 121.923 -1.650 25919 7360 1 12 . 1 1 51 51 LYS HA H 51 4.570 4.570 4.733 -0.163 25919 7361 1 12 . 1 1 51 51 LYS CA C 51 54.997 54.997 55.380 -0.383 25919 7362 1 12 . 1 1 51 51 LYS CB C 51 32.700 32.700 36.112 -3.412 25919 7363 1 12 . 1 1 51 51 LYS H H 51 7.192 7.192 7.195 -0.003 25919 7364 1 12 . 1 1 52 52 PHE N N 52 121.816 121.816 121.401 0.415 25919 7365 1 12 . 1 1 52 52 PHE HA H 52 5.503 5.503 4.753 0.750 25919 7366 1 12 . 1 1 52 52 PHE CA C 52 56.104 56.104 56.938 -0.834 25919 7367 1 12 . 1 1 52 52 PHE CB C 52 43.188 43.188 42.536 0.652 25919 7368 1 12 . 1 1 52 52 PHE H H 52 9.466 9.466 9.090 0.376 25919 7369 1 12 . 1 1 53 53 LEU N N 53 120.846 120.846 125.351 -4.505 25919 7370 1 12 . 1 1 53 53 LEU HA H 53 5.135 5.135 4.901 0.234 25919 7371 1 12 . 1 1 53 53 LEU C C 53 175.042 175.042 176.558 -1.516 25919 7372 1 12 . 1 1 53 53 LEU CA C 53 52.916 52.916 54.120 -1.204 25919 7373 1 12 . 1 1 53 53 LEU CB C 53 45.242 45.242 41.989 3.253 25919 7374 1 12 . 1 1 53 53 LEU H H 53 8.608 8.608 8.676 -0.068 25919 7375 1 12 . 1 1 54 54 VAL N N 54 123.773 123.773 125.243 -1.470 25919 7376 1 12 . 1 1 54 54 VAL HA H 54 4.755 4.755 4.418 0.337 25919 7377 1 12 . 1 1 54 54 VAL CA C 54 58.622 58.622 59.152 -0.530 25919 7378 1 12 . 1 1 54 54 VAL CB C 54 35.150 35.150 32.298 2.852 25919 7379 1 12 . 1 1 54 54 VAL H H 54 8.801 8.801 8.523 0.278 25919 7380 1 12 . 1 1 55 55 PRO HA H 55 4.435 4.435 4.565 -0.130 25919 7381 1 12 . 1 1 55 55 PRO C C 55 176.427 176.427 178.163 -1.736 25919 7382 1 12 . 1 1 55 55 PRO CA C 55 64.298 64.298 63.109 1.188 25919 7383 1 12 . 1 1 55 55 PRO CB C 55 32.822 32.822 32.020 0.802 25919 7384 1 12 . 1 1 56 56 ASP N N 56 121.214 121.214 125.184 -3.970 25919 7385 1 12 . 1 1 56 56 ASP HA H 56 3.880 3.880 4.202 -0.322 25919 7386 1 12 . 1 1 56 56 ASP CA C 56 56.742 56.742 57.936 -1.194 25919 7387 1 12 . 1 1 56 56 ASP CB C 56 40.481 40.481 40.010 0.471 25919 7388 1 12 . 1 1 56 56 ASP H H 56 8.336 8.336 8.714 -0.378 25919 7389 1 12 . 1 1 57 57 HIS N N 57 114.277 114.277 119.261 -4.984 25919 7390 1 12 . 1 1 57 57 HIS HA H 57 4.772 4.772 4.424 0.348 25919 7391 1 12 . 1 1 57 57 HIS C C 57 174.806 174.806 176.045 -1.239 25919 7392 1 12 . 1 1 57 57 HIS CA C 57 55.688 55.688 57.656 -1.968 25919 7393 1 12 . 1 1 57 57 HIS CB C 57 30.450 30.450 29.689 0.761 25919 7394 1 12 . 1 1 57 57 HIS H H 57 7.464 7.464 8.391 -0.927 25919 7395 1 12 . 1 1 58 58 VAL N N 58 123.531 123.531 121.133 2.398 25919 7396 1 12 . 1 1 58 58 VAL HA H 58 3.909 3.909 3.822 0.087 25919 7397 1 12 . 1 1 58 58 VAL C C 58 177.148 177.148 174.502 2.646 25919 7398 1 12 . 1 1 58 58 VAL CA C 58 62.900 62.900 63.456 -0.556 25919 7399 1 12 . 1 1 58 58 VAL CB C 58 32.320 32.320 32.173 0.147 25919 7400 1 12 . 1 1 58 58 VAL H H 58 7.261 7.261 7.572 -0.311 25919 7401 1 12 . 1 1 59 59 ASN N N 59 124.147 124.147 125.536 -1.389 25919 7402 1 12 . 1 1 59 59 ASN HA H 59 5.174 5.174 4.754 0.420 25919 7403 1 12 . 1 1 59 59 ASN C C 59 175.176 175.176 176.578 -1.402 25919 7404 1 12 . 1 1 59 59 ASN CA C 59 51.374 51.374 54.076 -2.702 25919 7405 1 12 . 1 1 59 59 ASN CB C 59 40.038 40.038 39.390 0.648 25919 7406 1 12 . 1 1 59 59 ASN H H 59 8.819 8.819 8.382 0.437 25919 7407 1 12 . 1 1 60 60 MET N N 60 117.583 117.583 121.588 -4.005 25919 7408 1 12 . 1 1 60 60 MET HA H 60 4.425 4.425 4.093 0.332 25919 7409 1 12 . 1 1 60 60 MET CA C 60 57.271 57.271 57.842 -0.571 25919 7410 1 12 . 1 1 60 60 MET CB C 60 30.063 30.063 31.462 -1.399 25919 7411 1 12 . 1 1 60 60 MET H H 60 8.023 8.023 8.656 -0.633 25919 7412 1 12 . 1 1 61 61 SER N N 61 115.027 115.027 114.477 0.550 25919 7413 1 12 . 1 1 61 61 SER HA H 61 4.138 4.138 4.070 0.068 25919 7414 1 12 . 1 1 61 61 SER C C 61 178.809 178.809 176.682 2.127 25919 7415 1 12 . 1 1 61 61 SER CA C 61 61.553 61.553 61.550 0.003 25919 7416 1 12 . 1 1 61 61 SER CB C 61 62.581 62.581 62.621 -0.040 25919 7417 1 12 . 1 1 61 61 SER H H 61 8.350 8.350 8.125 0.225 25919 7418 1 12 . 1 1 62 62 GLU N N 62 123.657 123.657 123.115 0.542 25919 7419 1 12 . 1 1 62 62 GLU HA H 62 3.979 3.979 4.127 -0.148 25919 7420 1 12 . 1 1 62 62 GLU C C 62 176.456 176.456 178.245 -1.789 25919 7421 1 12 . 1 1 62 62 GLU CA C 62 58.726 58.726 58.568 0.158 25919 7422 1 12 . 1 1 62 62 GLU CB C 62 29.700 29.700 29.254 0.446 25919 7423 1 12 . 1 1 62 62 GLU H H 62 7.994 7.994 7.733 0.261 25919 7424 1 12 . 1 1 63 63 LEU N N 63 121.225 121.225 121.513 -0.288 25919 7425 1 12 . 1 1 63 63 LEU HA H 63 3.949 3.949 3.923 0.026 25919 7426 1 12 . 1 1 63 63 LEU C C 63 178.113 178.113 178.692 -0.579 25919 7427 1 12 . 1 1 63 63 LEU CA C 63 57.860 57.860 58.075 -0.215 25919 7428 1 12 . 1 1 63 63 LEU CB C 63 41.526 41.526 41.768 -0.242 25919 7429 1 12 . 1 1 63 63 LEU H H 63 8.223 8.223 8.071 0.152 25919 7430 1 12 . 1 1 64 64 ILE N N 64 119.273 119.273 119.077 0.196 25919 7431 1 12 . 1 1 64 64 ILE HA H 64 3.375 3.375 3.541 -0.166 25919 7432 1 12 . 1 1 64 64 ILE CA C 64 66.723 66.723 66.111 0.612 25919 7433 1 12 . 1 1 64 64 ILE CB C 64 38.161 38.161 37.631 0.530 25919 7434 1 12 . 1 1 64 64 ILE H H 64 8.301 8.301 8.581 -0.280 25919 7435 1 12 . 1 1 65 65 LYS N N 65 119.143 119.143 120.372 -1.229 25919 7436 1 12 . 1 1 65 65 LYS HA H 65 3.703 3.703 3.954 -0.251 25919 7437 1 12 . 1 1 65 65 LYS C C 65 173.869 173.869 179.069 -5.200 25919 7438 1 12 . 1 1 65 65 LYS CA C 65 60.451 60.451 59.754 0.697 25919 7439 1 12 . 1 1 65 65 LYS CB C 65 32.300 32.300 32.436 -0.136 25919 7440 1 12 . 1 1 65 65 LYS H H 65 7.300 7.300 7.836 -0.536 25919 7441 1 12 . 1 1 66 66 ILE N N 66 120.527 120.527 120.538 -0.011 25919 7442 1 12 . 1 1 66 66 ILE HA H 66 3.541 3.541 3.719 -0.178 25919 7443 1 12 . 1 1 66 66 ILE C C 66 176.459 176.459 177.564 -1.105 25919 7444 1 12 . 1 1 66 66 ILE CA C 66 65.290 65.290 64.038 1.252 25919 7445 1 12 . 1 1 66 66 ILE CB C 66 38.254 38.254 37.658 0.596 25919 7446 1 12 . 1 1 66 66 ILE H H 66 8.048 8.048 7.864 0.184 25919 7447 1 12 . 1 1 67 67 ILE N N 67 121.527 121.527 120.515 1.012 25919 7448 1 12 . 1 1 67 67 ILE HA H 67 3.336 3.336 3.416 -0.080 25919 7449 1 12 . 1 1 67 67 ILE C C 67 178.102 178.102 177.584 0.518 25919 7450 1 12 . 1 1 67 67 ILE CA C 67 63.952 63.952 65.599 -1.647 25919 7451 1 12 . 1 1 67 67 ILE CB C 67 35.891 35.891 37.505 -1.614 25919 7452 1 12 . 1 1 67 67 ILE H H 67 8.308 8.308 7.805 0.503 25919 7453 1 12 . 1 1 68 68 ARG N N 68 119.384 119.384 119.584 -0.200 25919 7454 1 12 . 1 1 68 68 ARG HA H 68 2.970 2.970 3.215 -0.245 25919 7455 1 12 . 1 1 68 68 ARG C C 68 172.723 172.723 177.622 -4.899 25919 7456 1 12 . 1 1 68 68 ARG CA C 68 60.704 60.704 59.386 1.318 25919 7457 1 12 . 1 1 68 68 ARG CB C 68 30.320 30.320 29.904 0.416 25919 7458 1 12 . 1 1 68 68 ARG H H 68 8.336 8.336 8.267 0.069 25919 7459 1 12 . 1 1 69 69 ARG N N 69 117.648 117.648 115.962 1.686 25919 7460 1 12 . 1 1 69 69 ARG HA H 69 4.138 4.138 4.090 0.048 25919 7461 1 12 . 1 1 69 69 ARG C C 69 172.480 172.480 178.392 -5.912 25919 7462 1 12 . 1 1 69 69 ARG CA C 69 58.645 58.645 57.975 0.670 25919 7463 1 12 . 1 1 69 69 ARG CB C 69 29.779 29.779 30.064 -0.285 25919 7464 1 12 . 1 1 69 69 ARG H H 69 7.432 7.432 7.598 -0.166 25919 7465 1 12 . 1 1 70 70 ARG N N 70 124.006 124.006 118.622 5.384 25919 7466 1 12 . 1 1 70 70 ARG HA H 70 4.074 4.074 4.128 -0.054 25919 7467 1 12 . 1 1 70 70 ARG C C 70 178.799 178.799 177.378 1.421 25919 7468 1 12 . 1 1 70 70 ARG CA C 70 58.385 58.385 57.514 0.871 25919 7469 1 12 . 1 1 70 70 ARG CB C 70 30.043 30.043 30.355 -0.312 25919 7470 1 12 . 1 1 70 70 ARG H H 70 8.212 8.212 7.930 0.282 25919 7471 1 12 . 1 1 71 71 LEU N N 71 117.764 117.764 119.309 -1.545 25919 7472 1 12 . 1 1 71 71 LEU HA H 71 4.085 4.085 4.210 -0.125 25919 7473 1 12 . 1 1 71 71 LEU CA C 71 55.063 55.063 54.256 0.807 25919 7474 1 12 . 1 1 71 71 LEU CB C 71 43.100 43.100 42.201 0.899 25919 7475 1 12 . 1 1 71 71 LEU H H 71 7.750 7.750 7.832 -0.082 25919 7476 1 12 . 1 1 72 72 GLN N N 72 115.522 115.522 121.359 -5.837 25919 7477 1 12 . 1 1 72 72 GLN HA H 72 3.839 3.839 4.152 -0.313 25919 7478 1 12 . 1 1 72 72 GLN C C 72 175.744 175.744 175.099 0.645 25919 7479 1 12 . 1 1 72 72 GLN CA C 72 56.409 56.409 56.270 0.139 25919 7480 1 12 . 1 1 72 72 GLN CB C 72 25.959 25.959 26.976 -1.017 25919 7481 1 12 . 1 1 72 72 GLN H H 72 7.751 7.751 8.539 -0.788 25919 7482 1 12 . 1 1 73 73 LEU N N 73 115.900 115.900 123.695 -7.795 25919 7483 1 12 . 1 1 73 73 LEU HA H 73 4.254 4.254 4.646 -0.392 25919 7484 1 12 . 1 1 73 73 LEU C C 73 178.568 178.568 175.322 3.246 25919 7485 1 12 . 1 1 73 73 LEU CA C 73 54.468 54.468 53.743 0.725 25919 7486 1 12 . 1 1 73 73 LEU CB C 73 42.050 42.050 44.756 -2.706 25919 7487 1 12 . 1 1 73 73 LEU H H 73 7.573 7.573 7.698 -0.125 25919 7488 1 12 . 1 1 74 74 ASN N N 74 122.154 122.154 118.393 3.761 25919 7489 1 12 . 1 1 74 74 ASN HA H 74 4.684 4.684 4.950 -0.266 25919 7490 1 12 . 1 1 74 74 ASN C C 74 174.122 174.122 176.123 -2.001 25919 7491 1 12 . 1 1 74 74 ASN CA C 74 52.724 52.724 52.339 0.385 25919 7492 1 12 . 1 1 74 74 ASN CB C 74 39.579 39.579 40.845 -1.266 25919 7493 1 12 . 1 1 74 74 ASN H H 74 8.949 8.949 8.319 0.630 25919 7494 1 12 . 1 1 75 75 ALA N N 75 124.274 124.274 123.342 0.932 25919 7495 1 12 . 1 1 75 75 ALA HA H 75 3.972 3.972 4.098 -0.126 25919 7496 1 12 . 1 1 75 75 ALA C C 75 178.113 178.113 178.328 -0.215 25919 7497 1 12 . 1 1 75 75 ALA CA C 75 54.900 54.900 54.739 0.162 25919 7498 1 12 . 1 1 75 75 ALA CB C 75 18.708 18.708 18.896 -0.188 25919 7499 1 12 . 1 1 75 75 ALA H H 75 8.690 8.690 8.605 0.085 25919 7500 1 12 . 1 1 76 76 ASN N N 76 112.911 112.911 115.028 -2.117 25919 7501 1 12 . 1 1 76 76 ASN HA H 76 4.589 4.589 4.645 -0.056 25919 7502 1 12 . 1 1 76 76 ASN C C 76 175.515 175.515 175.437 0.078 25919 7503 1 12 . 1 1 76 76 ASN CA C 76 53.276 53.276 53.861 -0.585 25919 7504 1 12 . 1 1 76 76 ASN CB C 76 38.343 38.343 38.620 -0.277 25919 7505 1 12 . 1 1 76 76 ASN H H 76 8.340 8.340 8.079 0.261 25919 7506 1 12 . 1 1 77 77 GLN N N 77 121.144 121.144 120.469 0.675 25919 7507 1 12 . 1 1 77 77 GLN HA H 77 4.287 4.287 4.408 -0.121 25919 7508 1 12 . 1 1 77 77 GLN C C 77 175.053 175.053 175.379 -0.326 25919 7509 1 12 . 1 1 77 77 GLN CA C 77 55.856 55.856 55.349 0.507 25919 7510 1 12 . 1 1 77 77 GLN CB C 77 30.320 30.320 29.755 0.565 25919 7511 1 12 . 1 1 77 77 GLN H H 77 7.546 7.546 7.583 -0.037 25919 7512 1 12 . 1 1 78 78 ALA N N 78 131.146 131.146 130.303 0.843 25919 7513 1 12 . 1 1 78 78 ALA HA H 78 4.179 4.179 4.358 -0.179 25919 7514 1 12 . 1 1 78 78 ALA C C 78 176.453 176.453 176.012 0.441 25919 7515 1 12 . 1 1 78 78 ALA CA C 78 52.852 52.852 51.920 0.932 25919 7516 1 12 . 1 1 78 78 ALA CB C 78 20.074 20.074 18.651 1.423 25919 7517 1 12 . 1 1 78 78 ALA H H 78 8.730 8.730 8.563 0.167 25919 7518 1 12 . 1 1 79 79 PHE N N 79 119.860 119.860 125.891 -6.031 25919 7519 1 12 . 1 1 79 79 PHE HA H 79 4.453 4.453 4.920 -0.467 25919 7520 1 12 . 1 1 79 79 PHE C C 79 171.834 171.834 173.586 -1.752 25919 7521 1 12 . 1 1 79 79 PHE CA C 79 59.115 59.115 56.981 2.134 25919 7522 1 12 . 1 1 79 79 PHE CB C 79 42.246 42.246 42.101 0.145 25919 7523 1 12 . 1 1 79 79 PHE H H 79 7.601 7.601 7.829 -0.228 25919 7524 1 12 . 1 1 80 80 PHE N N 80 126.800 126.800 124.884 1.916 25919 7525 1 12 . 1 1 80 80 PHE HA H 80 4.396 4.396 4.305 0.091 25919 7526 1 12 . 1 1 80 80 PHE C C 80 173.169 173.169 173.039 0.130 25919 7527 1 12 . 1 1 80 80 PHE CA C 80 56.859 56.859 56.585 0.274 25919 7528 1 12 . 1 1 80 80 PHE CB C 80 41.946 41.946 43.758 -1.812 25919 7529 1 12 . 1 1 80 80 PHE H H 80 8.504 8.504 8.449 0.055 25919 7530 1 12 . 1 1 81 81 LEU N N 81 122.590 122.590 125.160 -2.570 25919 7531 1 12 . 1 1 81 81 LEU HA H 81 4.902 4.902 4.960 -0.057 25919 7532 1 12 . 1 1 81 81 LEU CA C 81 53.108 53.108 53.840 -0.732 25919 7533 1 12 . 1 1 81 81 LEU CB C 81 45.781 45.781 43.631 2.150 25919 7534 1 12 . 1 1 81 81 LEU H H 81 8.159 8.159 8.417 -0.258 25919 7535 1 12 . 1 1 82 82 LEU N N 82 126.414 126.414 127.237 -0.823 25919 7536 1 12 . 1 1 82 82 LEU HA H 82 4.807 4.807 4.990 -0.183 25919 7537 1 12 . 1 1 82 82 LEU C C 82 174.204 174.204 175.819 -1.615 25919 7538 1 12 . 1 1 82 82 LEU CA C 82 54.200 54.200 53.541 0.659 25919 7539 1 12 . 1 1 82 82 LEU CB C 82 43.650 43.650 43.609 0.041 25919 7540 1 12 . 1 1 82 82 LEU H H 82 9.347 9.347 9.202 0.145 25919 7541 1 12 . 1 1 83 83 VAL N N 83 123.910 123.910 122.688 1.222 25919 7542 1 12 . 1 1 83 83 VAL HA H 83 4.466 4.466 4.469 -0.003 25919 7543 1 12 . 1 1 83 83 VAL C C 83 175.891 175.891 176.489 -0.598 25919 7544 1 12 . 1 1 83 83 VAL CA C 83 61.339 61.339 61.024 0.315 25919 7545 1 12 . 1 1 83 83 VAL CB C 83 34.013 34.013 32.752 1.261 25919 7546 1 12 . 1 1 83 83 VAL H H 83 8.676 8.676 8.937 -0.261 25919 7547 1 12 . 1 1 84 84 ASN N N 84 127.149 127.149 125.612 1.537 25919 7548 1 12 . 1 1 84 84 ASN HA H 84 4.384 4.384 4.427 -0.043 25919 7549 1 12 . 1 1 84 84 ASN CA C 84 54.494 54.494 54.588 -0.094 25919 7550 1 12 . 1 1 84 84 ASN CB C 84 37.933 37.933 37.540 0.393 25919 7551 1 12 . 1 1 84 84 ASN H H 84 9.630 9.630 8.900 0.730 25919 7552 1 12 . 1 1 85 85 GLY N N 85 101.905 101.905 103.022 -1.117 25919 7553 1 12 . 1 1 85 85 GLY C C 85 175.112 175.112 172.892 2.220 25919 7554 1 12 . 1 1 85 85 GLY CA C 85 45.624 45.624 44.619 1.005 25919 7555 1 12 . 1 1 85 85 GLY H H 85 8.670 8.670 8.528 0.142 25919 7556 1 12 . 1 1 86 86 HIS N N 86 117.905 117.905 118.548 -0.643 25919 7557 1 12 . 1 1 86 86 HIS HA H 86 5.039 5.039 5.078 -0.039 25919 7558 1 12 . 1 1 86 86 HIS CA C 86 53.890 53.890 53.798 0.091 25919 7559 1 12 . 1 1 86 86 HIS CB C 86 30.888 30.888 33.111 -2.223 25919 7560 1 12 . 1 1 86 86 HIS H H 86 7.927 7.927 7.996 -0.069 25919 7561 1 12 . 1 1 87 87 SER N N 87 118.646 118.646 116.367 2.279 25919 7562 1 12 . 1 1 87 87 SER HA H 87 4.397 4.397 4.400 -0.003 25919 7563 1 12 . 1 1 87 87 SER C C 87 175.275 175.275 174.494 0.781 25919 7564 1 12 . 1 1 87 87 SER CA C 87 58.414 58.414 58.919 -0.505 25919 7565 1 12 . 1 1 87 87 SER CB C 87 63.772 63.772 63.521 0.251 25919 7566 1 12 . 1 1 87 87 SER H H 87 8.927 8.927 8.468 0.459 25919 7567 1 12 . 1 1 88 88 MET N N 88 126.013 126.013 126.925 -0.912 25919 7568 1 12 . 1 1 88 88 MET HA H 88 4.851 4.851 4.837 0.014 25919 7569 1 12 . 1 1 88 88 MET C C 88 178.796 178.796 176.593 2.203 25919 7570 1 12 . 1 1 88 88 MET CA C 88 54.727 54.727 53.627 1.100 25919 7571 1 12 . 1 1 88 88 MET CB C 88 33.309 33.309 32.023 1.286 25919 7572 1 12 . 1 1 88 88 MET H H 88 9.088 9.088 8.960 0.128 25919 7573 1 12 . 1 1 89 89 VAL N N 89 121.153 121.153 123.034 -1.881 25919 7574 1 12 . 1 1 89 89 VAL HA H 89 4.057 4.057 3.672 0.385 25919 7575 1 12 . 1 1 89 89 VAL C C 89 176.695 176.695 176.183 0.512 25919 7576 1 12 . 1 1 89 89 VAL CA C 89 63.592 63.592 65.819 -2.227 25919 7577 1 12 . 1 1 89 89 VAL CB C 89 32.422 32.422 31.556 0.866 25919 7578 1 12 . 1 1 89 89 VAL H H 89 8.144 8.144 7.876 0.268 25919 7579 1 12 . 1 1 90 90 SER N N 90 116.778 116.778 109.759 7.019 25919 7580 1 12 . 1 1 90 90 SER HA H 90 4.561 4.561 4.546 0.015 25919 7581 1 12 . 1 1 90 90 SER C C 90 173.898 173.898 174.637 -0.739 25919 7582 1 12 . 1 1 90 90 SER CA C 90 57.895 57.895 57.265 0.630 25919 7583 1 12 . 1 1 90 90 SER CB C 90 63.133 63.133 63.608 -0.475 25919 7584 1 12 . 1 1 90 90 SER H H 90 8.322 8.322 8.029 0.293 25919 7585 1 12 . 1 1 91 91 VAL N N 91 120.735 120.735 125.052 -4.317 25919 7586 1 12 . 1 1 91 91 VAL HA H 91 4.286 4.286 4.130 0.156 25919 7587 1 12 . 1 1 91 91 VAL CA C 91 62.846 62.846 62.562 0.284 25919 7588 1 12 . 1 1 91 91 VAL CB C 91 32.069 32.069 32.790 -0.721 25919 7589 1 12 . 1 1 91 91 VAL H H 91 8.036 8.036 7.705 0.331 25919 7590 1 12 . 1 1 92 92 SER N N 92 118.146 118.146 120.215 -2.069 25919 7591 1 12 . 1 1 92 92 SER HA H 92 4.549 4.549 4.389 0.160 25919 7592 1 12 . 1 1 92 92 SER CA C 92 57.813 57.813 58.522 -0.709 25919 7593 1 12 . 1 1 92 92 SER CB C 92 63.488 63.488 63.809 -0.321 25919 7594 1 12 . 1 1 92 92 SER H H 92 8.470 8.470 8.627 -0.157 25919 7595 1 12 . 1 1 93 93 THR N N 93 119.747 119.747 119.457 0.290 25919 7596 1 12 . 1 1 93 93 THR HA H 93 4.467 4.467 4.359 0.108 25919 7597 1 12 . 1 1 93 93 THR CA C 93 61.005 61.005 63.230 -2.225 25919 7598 1 12 . 1 1 93 93 THR CB C 93 70.592 70.592 69.100 1.492 25919 7599 1 12 . 1 1 93 93 THR H H 93 7.382 7.382 7.849 -0.467 25919 7600 1 12 . 1 1 94 94 PRO HA H 94 4.424 4.424 4.472 -0.048 25919 7601 1 12 . 1 1 94 94 PRO CA C 94 63.060 63.060 63.270 -0.210 25919 7602 1 12 . 1 1 94 94 PRO CB C 94 32.798 32.798 32.226 0.572 25919 7603 1 12 . 1 1 95 95 ILE N N 95 124.894 124.894 124.717 0.177 25919 7604 1 12 . 1 1 95 95 ILE HA H 95 3.984 3.984 3.857 0.127 25919 7605 1 12 . 1 1 95 95 ILE CA C 95 63.963 63.963 62.437 1.526 25919 7606 1 12 . 1 1 95 95 ILE CB C 95 38.200 38.200 38.241 -0.041 25919 7607 1 12 . 1 1 95 95 ILE H H 95 9.358 9.358 8.843 0.515 25919 7608 1 12 . 1 1 96 96 SER N N 96 117.523 117.523 116.999 0.524 25919 7609 1 12 . 1 1 96 96 SER HA H 96 4.004 4.004 4.123 -0.119 25919 7610 1 12 . 1 1 96 96 SER CA C 96 61.700 61.700 62.287 -0.587 25919 7611 1 12 . 1 1 96 96 SER CB C 96 61.400 61.400 62.700 -1.300 25919 7612 1 12 . 1 1 96 96 SER H H 96 8.202 8.202 7.805 0.397 25919 7613 1 12 . 1 1 97 97 GLU N N 97 123.657 123.657 122.900 0.757 25919 7614 1 12 . 1 1 97 97 GLU HA H 97 4.282 4.282 4.177 0.105 25919 7615 1 12 . 1 1 97 97 GLU CA C 97 58.700 58.700 59.086 -0.386 25919 7616 1 12 . 1 1 97 97 GLU CB C 97 29.800 29.800 29.496 0.304 25919 7617 1 12 . 1 1 97 97 GLU H H 97 7.301 7.301 7.775 -0.474 25919 7618 1 12 . 1 1 98 98 VAL N N 98 121.907 121.907 120.369 1.538 25919 7619 1 12 . 1 1 98 98 VAL HA H 98 3.797 3.797 3.629 0.168 25919 7620 1 12 . 1 1 98 98 VAL CA C 98 65.949 65.949 66.884 -0.935 25919 7621 1 12 . 1 1 98 98 VAL CB C 98 32.186 32.186 31.823 0.363 25919 7622 1 12 . 1 1 98 98 VAL H H 98 7.410 7.410 8.040 -0.630 25919 7623 1 12 . 1 1 99 99 TYR N N 99 119.526 119.526 120.299 -0.773 25919 7624 1 12 . 1 1 99 99 TYR HA H 99 4.016 4.016 4.074 -0.058 25919 7625 1 12 . 1 1 99 99 TYR C C 99 175.741 175.741 177.011 -1.270 25919 7626 1 12 . 1 1 99 99 TYR CA C 99 62.229 62.229 61.464 0.765 25919 7627 1 12 . 1 1 99 99 TYR CB C 99 38.967 38.967 38.556 0.411 25919 7628 1 12 . 1 1 99 99 TYR H H 99 9.071 9.071 8.340 0.731 25919 7629 1 12 . 1 1 100 100 GLU N N 100 114.405 114.405 116.326 -1.921 25919 7630 1 12 . 1 1 100 100 GLU HA H 100 3.850 3.850 3.881 -0.031 25919 7631 1 12 . 1 1 100 100 GLU C C 100 178.094 178.094 179.086 -0.992 25919 7632 1 12 . 1 1 100 100 GLU CA C 100 58.920 58.920 58.523 0.397 25919 7633 1 12 . 1 1 100 100 GLU CB C 100 29.481 29.481 29.422 0.059 25919 7634 1 12 . 1 1 100 100 GLU H H 100 7.342 7.342 8.379 -1.037 25919 7635 1 12 . 1 1 101 101 SER N N 101 109.656 109.656 114.712 -5.056 25919 7636 1 12 . 1 1 101 101 SER HA H 101 4.529 4.529 4.374 0.155 25919 7637 1 12 . 1 1 101 101 SER C C 101 176.681 176.681 175.573 1.108 25919 7638 1 12 . 1 1 101 101 SER CA C 101 60.313 60.313 60.863 -0.550 25919 7639 1 12 . 1 1 101 101 SER CB C 101 64.703 64.703 63.909 0.794 25919 7640 1 12 . 1 1 101 101 SER H H 101 7.410 7.410 7.886 -0.476 25919 7641 1 12 . 1 1 102 102 GLU N N 102 117.283 117.283 118.361 -1.078 25919 7642 1 12 . 1 1 102 102 GLU HA H 102 4.721 4.721 4.649 0.072 25919 7643 1 12 . 1 1 102 102 GLU CA C 102 55.592 55.592 54.792 0.800 25919 7644 1 12 . 1 1 102 102 GLU CB C 102 30.564 30.564 29.976 0.588 25919 7645 1 12 . 1 1 102 102 GLU H H 102 8.500 8.500 8.004 0.496 25919 7646 1 12 . 1 1 103 103 LYS N N 103 118.772 118.772 121.194 -2.422 25919 7647 1 12 . 1 1 103 103 LYS HA H 103 4.179 4.179 3.920 0.259 25919 7648 1 12 . 1 1 103 103 LYS C C 103 175.032 175.032 176.503 -1.471 25919 7649 1 12 . 1 1 103 103 LYS CA C 103 57.154 57.154 57.121 0.033 25919 7650 1 12 . 1 1 103 103 LYS CB C 103 32.238 32.238 32.350 -0.112 25919 7651 1 12 . 1 1 103 103 LYS H H 103 7.777 7.777 7.825 -0.048 25919 7652 1 12 . 1 1 104 104 ASP N N 104 124.024 124.024 127.266 -3.242 25919 7653 1 12 . 1 1 104 104 ASP HA H 104 5.032 5.032 4.635 0.397 25919 7654 1 12 . 1 1 104 104 ASP C C 104 177.548 177.548 177.668 -0.120 25919 7655 1 12 . 1 1 104 104 ASP CA C 104 53.882 53.882 53.673 0.209 25919 7656 1 12 . 1 1 104 104 ASP CB C 104 43.420 43.420 42.638 0.782 25919 7657 1 12 . 1 1 104 104 ASP H H 104 9.030 9.030 8.528 0.502 25919 7658 1 12 . 1 1 105 105 GLU N N 105 125.669 125.669 120.252 5.417 25919 7659 1 12 . 1 1 105 105 GLU HA H 105 4.179 4.179 4.002 0.177 25919 7660 1 12 . 1 1 105 105 GLU CA C 105 59.526 59.526 58.990 0.536 25919 7661 1 12 . 1 1 105 105 GLU CB C 105 30.036 30.036 29.566 0.470 25919 7662 1 12 . 1 1 105 105 GLU H H 105 8.894 8.894 8.610 0.284 25919 7663 1 12 . 1 1 106 106 ASP N N 106 119.257 119.257 116.324 2.933 25919 7664 1 12 . 1 1 106 106 ASP HA H 106 4.180 4.180 4.763 -0.583 25919 7665 1 12 . 1 1 106 106 ASP C C 106 176.018 176.018 175.617 0.401 25919 7666 1 12 . 1 1 106 106 ASP CA C 106 54.750 54.750 53.612 1.138 25919 7667 1 12 . 1 1 106 106 ASP CB C 106 40.250 40.250 41.205 -0.954 25919 7668 1 12 . 1 1 106 106 ASP H H 106 9.838 9.838 7.831 2.007 25919 7669 1 12 . 1 1 107 107 GLY N N 107 106.307 106.307 108.807 -2.500 25919 7670 1 12 . 1 1 107 107 GLY CA C 107 45.125 45.125 45.499 -0.374 25919 7671 1 12 . 1 1 107 107 GLY H H 107 7.945 7.945 8.091 -0.146 25919 7672 1 12 . 1 1 108 108 PHE N N 108 124.389 124.389 112.967 11.422 25919 7673 1 12 . 1 1 108 108 PHE HA H 108 4.670 4.670 5.141 -0.471 25919 7674 1 12 . 1 1 108 108 PHE C C 108 179.501 179.501 173.252 6.249 25919 7675 1 12 . 1 1 108 108 PHE CA C 108 60.288 60.288 55.208 5.080 25919 7676 1 12 . 1 1 108 108 PHE CB C 108 40.506 40.506 41.316 -0.810 25919 7677 1 12 . 1 1 108 108 PHE H H 108 9.739 9.739 7.030 2.709 25919 7678 1 12 . 1 1 109 109 LEU N N 109 120.814 120.814 122.403 -1.589 25919 7679 1 12 . 1 1 109 109 LEU HA H 109 5.038 5.038 5.038 0.000 25919 7680 1 12 . 1 1 109 109 LEU CA C 109 53.479 53.479 53.240 0.239 25919 7681 1 12 . 1 1 109 109 LEU CB C 109 45.197 45.197 44.428 0.769 25919 7682 1 12 . 1 1 109 109 LEU H H 109 7.968 7.968 8.939 -0.971 25919 7683 1 12 . 1 1 110 110 TYR N N 110 127.403 127.403 126.897 0.506 25919 7684 1 12 . 1 1 110 110 TYR HA H 110 4.907 4.907 4.970 -0.063 25919 7685 1 12 . 1 1 110 110 TYR CA C 110 59.259 59.259 58.727 0.532 25919 7686 1 12 . 1 1 110 110 TYR CB C 110 39.469 39.469 39.834 -0.365 25919 7687 1 12 . 1 1 110 110 TYR H H 110 9.349 9.349 8.897 0.452 25919 7688 1 12 . 1 1 111 111 MET N N 111 120.344 120.344 119.716 0.628 25919 7689 1 12 . 1 1 111 111 MET HA H 111 5.543 5.543 5.412 0.131 25919 7690 1 12 . 1 1 111 111 MET CA C 111 54.341 54.341 54.352 -0.011 25919 7691 1 12 . 1 1 111 111 MET CB C 111 36.894 36.894 37.339 -0.445 25919 7692 1 12 . 1 1 111 111 MET H H 111 9.575 9.575 9.073 0.502 25919 7693 1 12 . 1 1 112 112 VAL N N 112 121.026 121.026 118.164 2.862 25919 7694 1 12 . 1 1 112 112 VAL HA H 112 5.938 5.938 5.256 0.682 25919 7695 1 12 . 1 1 112 112 VAL C C 112 176.696 176.696 174.287 2.409 25919 7696 1 12 . 1 1 112 112 VAL CA C 112 59.068 59.068 59.402 -0.334 25919 7697 1 12 . 1 1 112 112 VAL CB C 112 36.180 36.180 34.883 1.297 25919 7698 1 12 . 1 1 112 112 VAL H H 112 8.730 8.730 8.999 -0.269 25919 7699 1 12 . 1 1 113 113 TYR N N 113 119.995 119.995 130.213 -10.218 25919 7700 1 12 . 1 1 113 113 TYR HA H 113 6.143 6.143 5.195 0.948 25919 7701 1 12 . 1 1 113 113 TYR C C 113 173.533 173.533 173.662 -0.129 25919 7702 1 12 . 1 1 113 113 TYR CA C 113 54.165 54.165 56.431 -2.266 25919 7703 1 12 . 1 1 113 113 TYR CB C 113 43.667 43.667 38.622 5.045 25919 7704 1 12 . 1 1 113 113 TYR H H 113 8.172 8.172 8.948 -0.776 25919 7705 1 12 . 1 1 114 114 ALA N N 114 120.454 120.454 130.069 -9.615 25919 7706 1 12 . 1 1 114 114 ALA HA H 114 4.750 4.750 4.818 -0.068 25919 7707 1 12 . 1 1 114 114 ALA C C 114 176.007 176.007 175.580 0.427 25919 7708 1 12 . 1 1 114 114 ALA CA C 114 51.356 51.356 51.340 0.016 25919 7709 1 12 . 1 1 114 114 ALA CB C 114 24.623 24.623 22.443 2.180 25919 7710 1 12 . 1 1 114 114 ALA H H 114 8.499 8.499 9.114 -0.615 25919 7711 1 12 . 1 1 115 115 SER N N 115 115.279 115.279 112.145 3.134 25919 7712 1 12 . 1 1 115 115 SER HA H 115 4.505 4.505 5.107 -0.602 25919 7713 1 12 . 1 1 115 115 SER C C 115 172.860 172.860 173.079 -0.219 25919 7714 1 12 . 1 1 115 115 SER CA C 115 58.837 58.837 57.929 0.908 25919 7715 1 12 . 1 1 115 115 SER CB C 115 63.798 63.798 64.391 -0.593 25919 7716 1 12 . 1 1 115 115 SER H H 115 9.823 9.823 8.548 1.275 25919 7717 1 12 . 1 1 116 116 GLN N N 116 117.398 117.398 119.537 -2.139 25919 7718 1 12 . 1 1 116 116 GLN HA H 116 4.453 4.453 4.234 0.219 25919 7719 1 12 . 1 1 116 116 GLN C C 116 173.181 173.181 174.089 -0.908 25919 7720 1 12 . 1 1 116 116 GLN CA C 116 54.024 54.024 54.407 -0.383 25919 7721 1 12 . 1 1 116 116 GLN CB C 116 32.179 32.179 31.250 0.929 25919 7722 1 12 . 1 1 116 116 GLN H H 116 7.165 7.165 7.566 -0.401 25919 7723 1 12 . 1 1 117 117 GLU N N 117 118.885 118.885 119.035 -0.150 25919 7724 1 12 . 1 1 117 117 GLU HA H 117 3.224 3.224 2.923 0.301 25919 7725 1 12 . 1 1 117 117 GLU C C 117 175.451 175.451 175.486 -0.035 25919 7726 1 12 . 1 1 117 117 GLU CA C 117 56.917 56.917 57.749 -0.832 25919 7727 1 12 . 1 1 117 117 GLU CB C 117 30.206 30.206 29.945 0.261 25919 7728 1 12 . 1 1 117 117 GLU H H 117 7.873 7.873 8.204 -0.331 25919 7729 1 12 . 1 1 118 118 THR N N 118 110.883 110.883 109.078 1.805 25919 7730 1 12 . 1 1 118 118 THR HA H 118 4.074 4.074 4.176 -0.102 25919 7731 1 12 . 1 1 118 118 THR C C 118 173.234 173.234 173.451 -0.217 25919 7732 1 12 . 1 1 118 118 THR CA C 118 60.300 60.300 60.314 -0.014 25919 7733 1 12 . 1 1 118 118 THR CB C 118 70.118 70.118 69.869 0.249 25919 7734 1 12 . 1 1 118 118 THR H H 118 6.988 6.988 7.030 -0.042 25919 7735 1 12 . 1 1 119 119 PHE N N 119 122.773 122.773 121.617 1.156 25919 7736 1 12 . 1 1 119 119 PHE HA H 119 4.397 4.397 3.893 0.504 25919 7737 1 12 . 1 1 119 119 PHE C C 119 175.045 175.045 175.773 -0.728 25919 7738 1 12 . 1 1 119 119 PHE CA C 119 56.810 56.810 55.829 0.981 25919 7739 1 12 . 1 1 119 119 PHE CB C 119 39.349 39.349 37.810 1.539 25919 7740 1 12 . 1 1 119 119 PHE H H 119 8.122 8.122 7.032 1.090 25919 7741 1 13 . 1 1 2 2 PRO HA H 2 4.424 4.424 4.491 -0.067 25919 7742 1 13 . 1 1 2 2 PRO C C 2 176.917 176.917 175.750 1.167 25919 7743 1 13 . 1 1 2 2 PRO CA C 2 63.418 63.418 64.760 -1.342 25919 7744 1 13 . 1 1 2 2 PRO CB C 2 32.160 32.160 30.326 1.834 25919 7745 1 13 . 1 1 3 3 SER N N 3 116.273 116.273 119.374 -3.101 25919 7746 1 13 . 1 1 3 3 SER HA H 3 4.389 4.389 4.473 -0.083 25919 7747 1 13 . 1 1 3 3 SER C C 3 174.762 174.762 174.750 0.012 25919 7748 1 13 . 1 1 3 3 SER CA C 3 58.472 58.472 58.952 -0.480 25919 7749 1 13 . 1 1 3 3 SER CB C 3 63.913 63.913 65.126 -1.213 25919 7750 1 13 . 1 1 3 3 SER H H 3 8.366 8.366 9.318 -0.952 25919 7751 1 13 . 1 1 4 4 GLU N N 4 123.959 123.959 122.113 1.846 25919 7752 1 13 . 1 1 4 4 GLU HA H 4 4.289 4.289 4.394 -0.105 25919 7753 1 13 . 1 1 4 4 GLU C C 4 176.545 176.545 175.081 1.464 25919 7754 1 13 . 1 1 4 4 GLU CA C 4 56.785 56.785 56.930 -0.145 25919 7755 1 13 . 1 1 4 4 GLU CB C 4 30.200 30.200 32.358 -2.158 25919 7756 1 13 . 1 1 4 4 GLU H H 4 8.513 8.513 9.019 -0.506 25919 7757 1 13 . 1 1 5 5 LYS N N 5 122.165 122.165 119.947 2.218 25919 7758 1 13 . 1 1 5 5 LYS HA H 5 4.508 4.508 4.541 -0.033 25919 7759 1 13 . 1 1 5 5 LYS C C 5 177.178 177.178 174.967 2.211 25919 7760 1 13 . 1 1 5 5 LYS CA C 5 56.000 56.000 55.429 0.571 25919 7761 1 13 . 1 1 5 5 LYS CB C 5 34.758 34.758 34.799 -0.041 25919 7762 1 13 . 1 1 5 5 LYS H H 5 8.198 8.198 7.814 0.384 25919 7763 1 13 . 1 1 6 6 THR N N 6 115.586 115.586 117.681 -2.095 25919 7764 1 13 . 1 1 6 6 THR HA H 6 4.426 4.426 4.140 0.286 25919 7765 1 13 . 1 1 6 6 THR C C 6 175.570 175.570 176.138 -0.568 25919 7766 1 13 . 1 1 6 6 THR CA C 6 61.120 61.120 63.592 -2.472 25919 7767 1 13 . 1 1 6 6 THR CB C 6 69.871 69.871 69.040 0.831 25919 7768 1 13 . 1 1 6 6 THR H H 6 8.423 8.423 8.524 -0.101 25919 7769 1 13 . 1 1 7 7 PHE N N 7 126.100 126.100 128.553 -2.453 25919 7770 1 13 . 1 1 7 7 PHE HA H 7 3.935 3.935 4.020 -0.085 25919 7771 1 13 . 1 1 7 7 PHE CA C 7 63.687 63.687 61.596 2.091 25919 7772 1 13 . 1 1 7 7 PHE CB C 7 39.656 39.656 39.537 0.119 25919 7773 1 13 . 1 1 7 7 PHE H H 7 10.276 10.276 8.732 1.544 25919 7774 1 13 . 1 1 8 8 LYS N N 8 115.026 115.026 120.431 -5.405 25919 7775 1 13 . 1 1 8 8 LYS HA H 8 3.800 3.800 4.016 -0.216 25919 7776 1 13 . 1 1 8 8 LYS CA C 8 59.944 59.944 58.096 1.847 25919 7777 1 13 . 1 1 8 8 LYS CB C 8 33.852 33.852 31.307 2.545 25919 7778 1 13 . 1 1 8 8 LYS H H 8 8.707 8.707 8.286 0.421 25919 7779 1 13 . 1 1 9 9 GLN N N 9 113.774 113.774 117.225 -3.451 25919 7780 1 13 . 1 1 9 9 GLN HA H 9 4.178 4.178 4.133 0.045 25919 7781 1 13 . 1 1 9 9 GLN C C 9 173.193 173.193 177.650 -4.457 25919 7782 1 13 . 1 1 9 9 GLN CA C 9 56.741 56.741 58.111 -1.370 25919 7783 1 13 . 1 1 9 9 GLN CB C 9 30.065 30.065 29.093 0.972 25919 7784 1 13 . 1 1 9 9 GLN H H 9 7.343 7.343 8.037 -0.694 25919 7785 1 13 . 1 1 10 10 ARG N N 10 119.156 119.156 118.137 1.019 25919 7786 1 13 . 1 1 10 10 ARG HA H 10 4.248 4.248 4.427 -0.179 25919 7787 1 13 . 1 1 10 10 ARG CA C 10 57.555 57.555 56.224 1.331 25919 7788 1 13 . 1 1 10 10 ARG CB C 10 31.771 31.771 31.900 -0.129 25919 7789 1 13 . 1 1 10 10 ARG H H 10 7.912 7.912 7.643 0.269 25919 7790 1 13 . 1 1 11 11 ARG N N 11 120.777 120.777 121.103 -0.326 25919 7791 1 13 . 1 1 11 11 ARG HA H 11 4.685 4.685 4.594 0.091 25919 7792 1 13 . 1 1 11 11 ARG CA C 11 53.161 53.161 54.271 -1.110 25919 7793 1 13 . 1 1 11 11 ARG CB C 11 32.773 32.773 31.724 1.049 25919 7794 1 13 . 1 1 11 11 ARG H H 11 7.341 7.341 7.992 -0.651 25919 7795 1 13 . 1 1 12 12 THR N N 12 116.696 116.696 118.801 -2.105 25919 7796 1 13 . 1 1 12 12 THR HA H 12 4.358 4.358 4.386 -0.028 25919 7797 1 13 . 1 1 12 12 THR C C 12 175.056 175.056 175.514 -0.458 25919 7798 1 13 . 1 1 12 12 THR CA C 12 61.795 61.795 60.779 1.016 25919 7799 1 13 . 1 1 12 12 THR CB C 12 71.050 71.050 70.130 0.920 25919 7800 1 13 . 1 1 12 12 THR H H 12 8.855 8.855 8.386 0.469 25919 7801 1 13 . 1 1 13 13 PHE N N 13 123.894 123.894 122.987 0.907 25919 7802 1 13 . 1 1 13 13 PHE HA H 13 4.043 4.043 4.136 -0.093 25919 7803 1 13 . 1 1 13 13 PHE C C 13 176.234 176.234 177.045 -0.811 25919 7804 1 13 . 1 1 13 13 PHE CA C 13 62.947 62.947 62.219 0.728 25919 7805 1 13 . 1 1 13 13 PHE CB C 13 39.571 39.571 39.198 0.373 25919 7806 1 13 . 1 1 13 13 PHE H H 13 9.221 9.221 8.784 0.437 25919 7807 1 13 . 1 1 14 14 GLU N N 14 116.516 116.516 116.499 0.017 25919 7808 1 13 . 1 1 14 14 GLU HA H 14 3.812 3.812 3.696 0.116 25919 7809 1 13 . 1 1 14 14 GLU CA C 14 60.699 60.699 59.262 1.437 25919 7810 1 13 . 1 1 14 14 GLU CB C 14 28.943 28.943 28.638 0.305 25919 7811 1 13 . 1 1 14 14 GLU H H 14 9.002 9.002 9.022 -0.020 25919 7812 1 13 . 1 1 15 15 GLN N N 15 119.291 119.291 119.593 -0.302 25919 7813 1 13 . 1 1 15 15 GLN HA H 15 4.024 4.024 4.070 -0.046 25919 7814 1 13 . 1 1 15 15 GLN C C 15 175.263 175.263 178.697 -3.434 25919 7815 1 13 . 1 1 15 15 GLN CA C 15 58.800 58.800 58.656 0.144 25919 7816 1 13 . 1 1 15 15 GLN CB C 15 29.300 29.300 28.651 0.649 25919 7817 1 13 . 1 1 15 15 GLN H H 15 7.706 7.706 7.856 -0.150 25919 7818 1 13 . 1 1 16 16 ARG N N 16 122.883 122.883 120.169 2.714 25919 7819 1 13 . 1 1 16 16 ARG HA H 16 4.235 4.235 4.228 0.007 25919 7820 1 13 . 1 1 16 16 ARG CA C 16 61.660 61.660 59.670 1.990 25919 7821 1 13 . 1 1 16 16 ARG CB C 16 30.877 30.877 30.440 0.437 25919 7822 1 13 . 1 1 16 16 ARG H H 16 8.567 8.567 8.116 0.451 25919 7823 1 13 . 1 1 17 17 VAL N N 17 118.523 118.523 120.721 -2.198 25919 7824 1 13 . 1 1 17 17 VAL HA H 17 3.865 3.865 3.531 0.334 25919 7825 1 13 . 1 1 17 17 VAL C C 17 174.213 174.213 178.013 -3.800 25919 7826 1 13 . 1 1 17 17 VAL CA C 17 65.550 65.550 66.436 -0.886 25919 7827 1 13 . 1 1 17 17 VAL CB C 17 32.171 32.171 31.436 0.735 25919 7828 1 13 . 1 1 17 17 VAL H H 17 8.430 8.430 8.417 0.013 25919 7829 1 13 . 1 1 18 18 GLU N N 18 120.170 120.170 119.809 0.361 25919 7830 1 13 . 1 1 18 18 GLU HA H 18 4.212 4.212 3.963 0.249 25919 7831 1 13 . 1 1 18 18 GLU C C 18 175.758 175.758 179.053 -3.295 25919 7832 1 13 . 1 1 18 18 GLU CA C 18 58.488 58.488 59.410 -0.922 25919 7833 1 13 . 1 1 18 18 GLU CB C 18 29.360 29.360 28.849 0.511 25919 7834 1 13 . 1 1 18 18 GLU H H 18 7.423 7.423 7.907 -0.484 25919 7835 1 13 . 1 1 19 19 ASP N N 19 121.273 121.273 120.841 0.432 25919 7836 1 13 . 1 1 19 19 ASP HA H 19 4.384 4.384 4.386 -0.002 25919 7837 1 13 . 1 1 19 19 ASP C C 19 177.016 177.016 179.130 -2.114 25919 7838 1 13 . 1 1 19 19 ASP CA C 19 56.900 56.900 57.417 -0.517 25919 7839 1 13 . 1 1 19 19 ASP CB C 19 41.884 41.884 40.506 1.378 25919 7840 1 13 . 1 1 19 19 ASP H H 19 7.955 7.955 8.361 -0.406 25919 7841 1 13 . 1 1 20 20 VAL N N 20 119.523 119.523 120.272 -0.749 25919 7842 1 13 . 1 1 20 20 VAL HA H 20 3.232 3.232 3.836 -0.604 25919 7843 1 13 . 1 1 20 20 VAL C C 20 173.876 173.876 177.401 -3.525 25919 7844 1 13 . 1 1 20 20 VAL CA C 20 66.128 66.128 65.899 0.229 25919 7845 1 13 . 1 1 20 20 VAL CB C 20 31.099 31.099 32.156 -1.057 25919 7846 1 13 . 1 1 20 20 VAL H H 20 7.818 7.818 8.295 -0.477 25919 7847 1 13 . 1 1 21 21 ARG N N 21 120.310 120.310 120.464 -0.154 25919 7848 1 13 . 1 1 21 21 ARG HA H 21 3.803 3.803 3.925 -0.122 25919 7849 1 13 . 1 1 21 21 ARG CA C 21 59.934 59.934 59.971 -0.037 25919 7850 1 13 . 1 1 21 21 ARG CB C 21 30.076 30.076 30.232 -0.156 25919 7851 1 13 . 1 1 21 21 ARG H H 21 8.037 8.037 8.092 -0.055 25919 7852 1 13 . 1 1 22 22 LEU N N 22 118.660 118.660 120.280 -1.620 25919 7853 1 13 . 1 1 22 22 LEU HA H 22 4.094 4.094 3.988 0.106 25919 7854 1 13 . 1 1 22 22 LEU C C 22 177.626 177.626 179.190 -1.564 25919 7855 1 13 . 1 1 22 22 LEU CA C 22 57.738 57.738 58.040 -0.302 25919 7856 1 13 . 1 1 22 22 LEU CB C 22 42.222 42.222 41.911 0.311 25919 7857 1 13 . 1 1 22 22 LEU H H 22 8.050 8.050 8.454 -0.404 25919 7858 1 13 . 1 1 23 23 ILE N N 23 122.825 122.825 119.543 3.282 25919 7859 1 13 . 1 1 23 23 ILE HA H 23 4.122 4.122 3.689 0.433 25919 7860 1 13 . 1 1 23 23 ILE C C 23 176.226 176.226 177.840 -1.614 25919 7861 1 13 . 1 1 23 23 ILE CA C 23 61.243 61.243 64.346 -3.103 25919 7862 1 13 . 1 1 23 23 ILE CB C 23 38.268 38.268 37.454 0.814 25919 7863 1 13 . 1 1 23 23 ILE H H 23 8.390 8.390 8.121 0.269 25919 7864 1 13 . 1 1 24 24 ARG N N 24 122.365 122.365 120.514 1.851 25919 7865 1 13 . 1 1 24 24 ARG HA H 24 4.017 4.017 4.064 -0.047 25919 7866 1 13 . 1 1 24 24 ARG CA C 24 57.684 57.684 58.620 -0.936 25919 7867 1 13 . 1 1 24 24 ARG CB C 24 28.817 28.817 29.698 -0.881 25919 7868 1 13 . 1 1 24 24 ARG H H 24 8.540 8.540 7.938 0.602 25919 7869 1 13 . 1 1 25 25 GLU N N 25 118.383 118.383 117.786 0.597 25919 7870 1 13 . 1 1 25 25 GLU HA H 25 4.044 4.044 4.166 -0.122 25919 7871 1 13 . 1 1 25 25 GLU CA C 25 58.680 58.680 58.581 0.099 25919 7872 1 13 . 1 1 25 25 GLU CB C 25 29.850 29.850 29.743 0.107 25919 7873 1 13 . 1 1 25 25 GLU H H 25 7.287 7.287 7.810 -0.523 25919 7874 1 13 . 1 1 26 26 GLN N N 26 117.165 117.165 115.809 1.356 25919 7875 1 13 . 1 1 26 26 GLN HA H 26 3.948 3.948 4.265 -0.317 25919 7876 1 13 . 1 1 26 26 GLN C C 26 176.221 176.221 176.909 -0.688 25919 7877 1 13 . 1 1 26 26 GLN CA C 26 57.638 57.638 56.813 0.825 25919 7878 1 13 . 1 1 26 26 GLN CB C 26 30.320 30.320 29.497 0.823 25919 7879 1 13 . 1 1 26 26 GLN H H 26 7.423 7.423 8.092 -0.669 25919 7880 1 13 . 1 1 27 27 HIS N N 27 117.140 117.140 118.542 -1.402 25919 7881 1 13 . 1 1 27 27 HIS HA H 27 4.866 4.866 5.078 -0.212 25919 7882 1 13 . 1 1 27 27 HIS CA C 27 53.305 53.305 52.634 0.671 25919 7883 1 13 . 1 1 27 27 HIS CB C 27 30.917 30.917 30.451 0.466 25919 7884 1 13 . 1 1 27 27 HIS H H 27 8.254 8.254 8.298 -0.044 25919 7885 1 13 . 1 1 28 28 PRO HA H 28 4.609 4.609 4.530 0.079 25919 7886 1 13 . 1 1 28 28 PRO CA C 28 64.881 64.881 64.673 0.208 25919 7887 1 13 . 1 1 28 28 PRO CB C 28 32.554 32.554 32.119 0.435 25919 7888 1 13 . 1 1 29 29 THR N N 29 107.339 107.339 105.642 1.697 25919 7889 1 13 . 1 1 29 29 THR HA H 29 4.644 4.644 4.314 0.330 25919 7890 1 13 . 1 1 29 29 THR C C 29 172.933 172.933 174.144 -1.211 25919 7891 1 13 . 1 1 29 29 THR CA C 29 60.600 60.600 62.729 -2.129 25919 7892 1 13 . 1 1 29 29 THR CB C 29 68.520 68.520 69.021 -0.501 25919 7893 1 13 . 1 1 29 29 THR H H 29 7.764 7.764 8.308 -0.544 25919 7894 1 13 . 1 1 30 30 LYS N N 30 118.273 118.273 120.736 -2.463 25919 7895 1 13 . 1 1 30 30 LYS HA H 30 4.926 4.926 5.000 -0.074 25919 7896 1 13 . 1 1 30 30 LYS C C 30 175.010 175.010 175.329 -0.319 25919 7897 1 13 . 1 1 30 30 LYS CA C 30 53.740 53.740 54.906 -1.166 25919 7898 1 13 . 1 1 30 30 LYS CB C 30 36.445 36.445 35.385 1.060 25919 7899 1 13 . 1 1 30 30 LYS H H 30 7.478 7.478 7.601 -0.123 25919 7900 1 13 . 1 1 31 31 ILE N N 31 123.498 123.498 122.734 0.764 25919 7901 1 13 . 1 1 31 31 ILE HA H 31 4.139 4.139 4.206 -0.067 25919 7902 1 13 . 1 1 31 31 ILE CA C 31 54.669 54.669 56.029 -1.360 25919 7903 1 13 . 1 1 31 31 ILE CB C 31 38.427 38.427 38.358 0.069 25919 7904 1 13 . 1 1 31 31 ILE H H 31 9.235 9.235 8.845 0.390 25919 7905 1 13 . 1 1 32 32 PRO HA H 32 5.212 5.212 4.868 0.344 25919 7906 1 13 . 1 1 32 32 PRO C C 32 174.832 174.832 175.564 -0.732 25919 7907 1 13 . 1 1 32 32 PRO CA C 32 61.678 61.678 62.003 -0.325 25919 7908 1 13 . 1 1 32 32 PRO CB C 32 30.993 30.993 32.441 -1.448 25919 7909 1 13 . 1 1 33 33 VAL N N 33 124.964 124.964 123.497 1.467 25919 7910 1 13 . 1 1 33 33 VAL HA H 33 5.234 5.234 4.779 0.455 25919 7911 1 13 . 1 1 33 33 VAL CA C 33 59.611 59.611 60.724 -1.113 25919 7912 1 13 . 1 1 33 33 VAL CB C 33 35.711 35.711 35.501 0.210 25919 7913 1 13 . 1 1 33 33 VAL H H 33 9.289 9.289 8.946 0.343 25919 7914 1 13 . 1 1 34 34 ILE N N 34 127.908 127.908 127.424 0.484 25919 7915 1 13 . 1 1 34 34 ILE HA H 34 4.742 4.742 4.593 0.149 25919 7916 1 13 . 1 1 34 34 ILE CA C 34 56.330 56.330 59.120 -2.791 25919 7917 1 13 . 1 1 34 34 ILE CB C 34 36.629 36.629 40.154 -3.525 25919 7918 1 13 . 1 1 34 34 ILE H H 34 8.594 8.594 8.828 -0.234 25919 7919 1 13 . 1 1 35 35 ILE N N 35 125.405 125.405 127.129 -1.724 25919 7920 1 13 . 1 1 35 35 ILE HA H 35 4.879 4.879 5.137 -0.258 25919 7921 1 13 . 1 1 35 35 ILE C C 35 176.126 176.126 173.630 2.496 25919 7922 1 13 . 1 1 35 35 ILE CA C 35 60.923 60.923 59.267 1.655 25919 7923 1 13 . 1 1 35 35 ILE CB C 35 38.968 38.968 41.526 -2.558 25919 7924 1 13 . 1 1 35 35 ILE H H 35 8.545 8.545 8.882 -0.337 25919 7925 1 13 . 1 1 36 36 GLU N N 36 124.153 124.153 127.825 -3.672 25919 7926 1 13 . 1 1 36 36 GLU HA H 36 4.789 4.789 4.902 -0.113 25919 7927 1 13 . 1 1 36 36 GLU C C 36 173.645 173.645 175.092 -1.447 25919 7928 1 13 . 1 1 36 36 GLU CA C 36 54.282 54.282 54.071 0.212 25919 7929 1 13 . 1 1 36 36 GLU CB C 36 35.401 35.401 34.410 0.991 25919 7930 1 13 . 1 1 36 36 GLU H H 36 8.363 8.363 8.703 -0.340 25919 7931 1 13 . 1 1 37 37 ARG N N 37 123.957 123.957 127.963 -4.006 25919 7932 1 13 . 1 1 37 37 ARG HA H 37 2.804 2.804 4.072 -1.268 25919 7933 1 13 . 1 1 37 37 ARG C C 37 176.456 176.456 176.182 0.274 25919 7934 1 13 . 1 1 37 37 ARG CA C 37 56.120 56.120 56.625 -0.505 25919 7935 1 13 . 1 1 37 37 ARG CB C 37 31.500 31.500 30.748 0.752 25919 7936 1 13 . 1 1 37 37 ARG H H 37 8.853 8.853 8.881 -0.028 25919 7937 1 13 . 1 1 38 38 TYR N N 38 129.636 129.636 128.010 1.626 25919 7938 1 13 . 1 1 38 38 TYR HA H 38 4.311 4.311 4.342 -0.031 25919 7939 1 13 . 1 1 38 38 TYR CA C 38 57.907 57.907 58.424 -0.517 25919 7940 1 13 . 1 1 38 38 TYR CB C 38 39.567 39.567 39.154 0.413 25919 7941 1 13 . 1 1 38 38 TYR H H 38 8.663 8.663 8.463 0.200 25919 7942 1 13 . 1 1 39 39 LYS N N 39 130.772 130.772 128.567 2.205 25919 7943 1 13 . 1 1 39 39 LYS HA H 39 3.848 3.848 3.815 0.033 25919 7944 1 13 . 1 1 39 39 LYS CA C 39 58.986 58.986 58.291 0.695 25919 7945 1 13 . 1 1 39 39 LYS CB C 39 31.777 31.777 32.005 -0.228 25919 7946 1 13 . 1 1 39 39 LYS H H 39 8.389 8.389 8.459 -0.070 25919 7947 1 13 . 1 1 40 40 GLY N N 40 106.013 106.013 103.565 2.448 25919 7948 1 13 . 1 1 40 40 GLY C C 40 173.407 173.407 174.287 -0.880 25919 7949 1 13 . 1 1 40 40 GLY CA C 40 44.796 44.796 44.515 0.281 25919 7950 1 13 . 1 1 40 40 GLY H H 40 5.643 5.643 6.554 -0.911 25919 7951 1 13 . 1 1 41 41 GLU N N 41 123.519 123.519 119.924 3.595 25919 7952 1 13 . 1 1 41 41 GLU HA H 41 4.265 4.265 4.478 -0.213 25919 7953 1 13 . 1 1 41 41 GLU C C 41 176.231 176.231 175.426 0.805 25919 7954 1 13 . 1 1 41 41 GLU CA C 41 56.365 56.365 55.951 0.414 25919 7955 1 13 . 1 1 41 41 GLU CB C 41 31.077 31.077 31.501 -0.424 25919 7956 1 13 . 1 1 41 41 GLU H H 41 7.464 7.464 7.131 0.333 25919 7957 1 13 . 1 1 42 42 LYS N N 42 124.405 124.405 128.323 -3.918 25919 7958 1 13 . 1 1 42 42 LYS HA H 42 4.669 4.669 4.385 0.284 25919 7959 1 13 . 1 1 42 42 LYS C C 42 177.170 177.170 176.409 0.761 25919 7960 1 13 . 1 1 42 42 LYS CA C 42 55.750 55.750 55.223 0.527 25919 7961 1 13 . 1 1 42 42 LYS CB C 42 34.929 34.929 30.922 4.007 25919 7962 1 13 . 1 1 42 42 LYS H H 42 8.895 8.895 8.484 0.411 25919 7963 1 13 . 1 1 43 43 GLN N N 43 119.903 119.903 118.566 1.337 25919 7964 1 13 . 1 1 43 43 GLN HA H 43 4.541 4.541 4.140 0.401 25919 7965 1 13 . 1 1 43 43 GLN C C 43 177.260 177.260 176.608 0.652 25919 7966 1 13 . 1 1 43 43 GLN CA C 43 57.566 57.566 57.216 0.350 25919 7967 1 13 . 1 1 43 43 GLN CB C 43 30.620 30.620 28.704 1.916 25919 7968 1 13 . 1 1 43 43 GLN H H 43 8.459 8.459 7.730 0.729 25919 7969 1 13 . 1 1 44 44 LEU N N 44 121.272 121.272 121.559 -0.287 25919 7970 1 13 . 1 1 44 44 LEU HA H 44 4.726 4.726 4.602 0.124 25919 7971 1 13 . 1 1 44 44 LEU CA C 44 53.165 53.165 52.426 0.739 25919 7972 1 13 . 1 1 44 44 LEU CB C 44 43.444 43.444 41.516 1.928 25919 7973 1 13 . 1 1 44 44 LEU H H 44 9.002 9.002 7.931 1.071 25919 7974 1 13 . 1 1 45 45 PRO HA H 45 4.722 4.722 4.396 0.326 25919 7975 1 13 . 1 1 45 45 PRO CA C 45 62.169 62.169 63.447 -1.278 25919 7976 1 13 . 1 1 45 45 PRO CB C 45 32.722 32.722 31.863 0.859 25919 7977 1 13 . 1 1 46 46 VAL N N 46 118.403 118.403 120.181 -1.778 25919 7978 1 13 . 1 1 46 46 VAL HA H 46 4.009 4.009 4.123 -0.114 25919 7979 1 13 . 1 1 46 46 VAL C C 46 173.416 173.416 175.115 -1.699 25919 7980 1 13 . 1 1 46 46 VAL CA C 46 62.413 62.413 61.700 0.712 25919 7981 1 13 . 1 1 46 46 VAL CB C 46 33.087 33.087 30.462 2.625 25919 7982 1 13 . 1 1 46 46 VAL H H 46 8.349 8.349 8.292 0.057 25919 7983 1 13 . 1 1 47 47 LEU N N 47 128.653 128.653 122.764 5.889 25919 7984 1 13 . 1 1 47 47 LEU HA H 47 4.452 4.452 4.325 0.127 25919 7985 1 13 . 1 1 47 47 LEU CA C 47 54.758 54.758 54.915 -0.157 25919 7986 1 13 . 1 1 47 47 LEU CB C 47 44.076 44.076 42.450 1.627 25919 7987 1 13 . 1 1 47 47 LEU H H 47 8.064 8.064 7.606 0.458 25919 7988 1 13 . 1 1 48 48 ASP N N 48 121.042 121.042 121.116 -0.074 25919 7989 1 13 . 1 1 48 48 ASP HA H 48 4.347 4.347 4.600 -0.253 25919 7990 1 13 . 1 1 48 48 ASP CA C 48 55.600 55.600 53.289 2.311 25919 7991 1 13 . 1 1 48 48 ASP CB C 48 40.407 40.407 38.789 1.618 25919 7992 1 13 . 1 1 48 48 ASP H H 48 8.649 8.649 8.839 -0.190 25919 7993 1 13 . 1 1 49 49 LYS N N 49 118.877 118.877 121.449 -2.572 25919 7994 1 13 . 1 1 49 49 LYS HA H 49 4.541 4.541 4.198 0.343 25919 7995 1 13 . 1 1 49 49 LYS C C 49 179.744 179.744 176.750 2.994 25919 7996 1 13 . 1 1 49 49 LYS CA C 49 54.099 54.099 55.989 -1.890 25919 7997 1 13 . 1 1 49 49 LYS CB C 49 35.378 35.378 30.226 5.152 25919 7998 1 13 . 1 1 49 49 LYS H H 49 7.287 7.287 7.599 -0.312 25919 7999 1 13 . 1 1 50 50 THR N N 50 114.691 114.691 112.707 1.984 25919 8000 1 13 . 1 1 50 50 THR HA H 50 4.628 4.628 4.349 0.279 25919 8001 1 13 . 1 1 50 50 THR CA C 50 63.920 63.920 64.612 -0.692 25919 8002 1 13 . 1 1 50 50 THR CB C 50 71.365 71.365 69.533 1.832 25919 8003 1 13 . 1 1 50 50 THR H H 50 8.064 8.064 7.610 0.454 25919 8004 1 13 . 1 1 51 51 LYS N N 51 120.273 120.273 119.494 0.779 25919 8005 1 13 . 1 1 51 51 LYS HA H 51 4.570 4.570 4.738 -0.168 25919 8006 1 13 . 1 1 51 51 LYS CA C 51 54.997 54.997 54.789 0.208 25919 8007 1 13 . 1 1 51 51 LYS CB C 51 32.700 32.700 35.020 -2.320 25919 8008 1 13 . 1 1 51 51 LYS H H 51 7.192 7.192 7.071 0.121 25919 8009 1 13 . 1 1 52 52 PHE N N 52 121.816 121.816 119.215 2.601 25919 8010 1 13 . 1 1 52 52 PHE HA H 52 5.503 5.503 4.623 0.880 25919 8011 1 13 . 1 1 52 52 PHE CA C 52 56.104 56.104 56.934 -0.830 25919 8012 1 13 . 1 1 52 52 PHE CB C 52 43.188 43.188 43.328 -0.140 25919 8013 1 13 . 1 1 52 52 PHE H H 52 9.466 9.466 8.874 0.592 25919 8014 1 13 . 1 1 53 53 LEU N N 53 120.846 120.846 123.118 -2.272 25919 8015 1 13 . 1 1 53 53 LEU HA H 53 5.135 5.135 5.331 -0.196 25919 8016 1 13 . 1 1 53 53 LEU C C 53 175.042 175.042 175.683 -0.641 25919 8017 1 13 . 1 1 53 53 LEU CA C 53 52.916 52.916 53.299 -0.383 25919 8018 1 13 . 1 1 53 53 LEU CB C 53 45.242 45.242 44.886 0.356 25919 8019 1 13 . 1 1 53 53 LEU H H 53 8.608 8.608 8.532 0.076 25919 8020 1 13 . 1 1 54 54 VAL N N 54 123.773 123.773 122.787 0.986 25919 8021 1 13 . 1 1 54 54 VAL HA H 54 4.755 4.755 4.522 0.233 25919 8022 1 13 . 1 1 54 54 VAL CA C 54 58.622 58.622 58.619 0.003 25919 8023 1 13 . 1 1 54 54 VAL CB C 54 35.150 35.150 35.447 -0.297 25919 8024 1 13 . 1 1 54 54 VAL H H 54 8.801 8.801 8.769 0.032 25919 8025 1 13 . 1 1 55 55 PRO HA H 55 4.435 4.435 4.637 -0.202 25919 8026 1 13 . 1 1 55 55 PRO C C 55 176.427 176.427 177.990 -1.563 25919 8027 1 13 . 1 1 55 55 PRO CA C 55 64.298 64.298 62.957 1.341 25919 8028 1 13 . 1 1 55 55 PRO CB C 55 32.822 32.822 32.050 0.772 25919 8029 1 13 . 1 1 56 56 ASP N N 56 121.214 121.214 124.342 -3.128 25919 8030 1 13 . 1 1 56 56 ASP HA H 56 3.880 3.880 4.281 -0.401 25919 8031 1 13 . 1 1 56 56 ASP CA C 56 56.742 56.742 57.526 -0.784 25919 8032 1 13 . 1 1 56 56 ASP CB C 56 40.481 40.481 40.256 0.225 25919 8033 1 13 . 1 1 56 56 ASP H H 56 8.336 8.336 8.809 -0.473 25919 8034 1 13 . 1 1 57 57 HIS N N 57 114.277 114.277 116.356 -2.079 25919 8035 1 13 . 1 1 57 57 HIS HA H 57 4.772 4.772 4.553 0.219 25919 8036 1 13 . 1 1 57 57 HIS C C 57 174.806 174.806 175.795 -0.989 25919 8037 1 13 . 1 1 57 57 HIS CA C 57 55.688 55.688 57.387 -1.699 25919 8038 1 13 . 1 1 57 57 HIS CB C 57 30.450 30.450 29.678 0.772 25919 8039 1 13 . 1 1 57 57 HIS H H 57 7.464 7.464 8.331 -0.867 25919 8040 1 13 . 1 1 58 58 VAL N N 58 123.531 123.531 121.686 1.845 25919 8041 1 13 . 1 1 58 58 VAL HA H 58 3.909 3.909 3.927 -0.018 25919 8042 1 13 . 1 1 58 58 VAL C C 58 177.148 177.148 175.527 1.621 25919 8043 1 13 . 1 1 58 58 VAL CA C 58 62.900 62.900 63.123 -0.223 25919 8044 1 13 . 1 1 58 58 VAL CB C 58 32.320 32.320 31.312 1.008 25919 8045 1 13 . 1 1 58 58 VAL H H 58 7.261 7.261 7.868 -0.607 25919 8046 1 13 . 1 1 59 59 ASN N N 59 124.147 124.147 125.572 -1.425 25919 8047 1 13 . 1 1 59 59 ASN HA H 59 5.174 5.174 5.039 0.135 25919 8048 1 13 . 1 1 59 59 ASN C C 59 175.176 175.176 177.264 -2.088 25919 8049 1 13 . 1 1 59 59 ASN CA C 59 51.374 51.374 52.478 -1.104 25919 8050 1 13 . 1 1 59 59 ASN CB C 59 40.038 40.038 39.899 0.139 25919 8051 1 13 . 1 1 59 59 ASN H H 59 8.819 8.819 8.684 0.135 25919 8052 1 13 . 1 1 60 60 MET N N 60 117.583 117.583 121.375 -3.792 25919 8053 1 13 . 1 1 60 60 MET HA H 60 4.425 4.425 4.072 0.353 25919 8054 1 13 . 1 1 60 60 MET CA C 60 57.271 57.271 57.836 -0.565 25919 8055 1 13 . 1 1 60 60 MET CB C 60 30.063 30.063 31.296 -1.233 25919 8056 1 13 . 1 1 60 60 MET H H 60 8.023 8.023 8.863 -0.840 25919 8057 1 13 . 1 1 61 61 SER N N 61 115.027 115.027 114.422 0.605 25919 8058 1 13 . 1 1 61 61 SER HA H 61 4.138 4.138 4.059 0.079 25919 8059 1 13 . 1 1 61 61 SER C C 61 178.809 178.809 176.492 2.317 25919 8060 1 13 . 1 1 61 61 SER CA C 61 61.553 61.553 61.910 -0.357 25919 8061 1 13 . 1 1 61 61 SER CB C 61 62.581 62.581 62.898 -0.317 25919 8062 1 13 . 1 1 61 61 SER H H 61 8.350 8.350 8.012 0.338 25919 8063 1 13 . 1 1 62 62 GLU N N 62 123.657 123.657 122.011 1.646 25919 8064 1 13 . 1 1 62 62 GLU HA H 62 3.979 3.979 4.109 -0.130 25919 8065 1 13 . 1 1 62 62 GLU C C 62 176.456 176.456 178.530 -2.074 25919 8066 1 13 . 1 1 62 62 GLU CA C 62 58.726 58.726 58.939 -0.213 25919 8067 1 13 . 1 1 62 62 GLU CB C 62 29.700 29.700 29.267 0.433 25919 8068 1 13 . 1 1 62 62 GLU H H 62 7.994 7.994 7.492 0.502 25919 8069 1 13 . 1 1 63 63 LEU N N 63 121.225 121.225 121.535 -0.310 25919 8070 1 13 . 1 1 63 63 LEU HA H 63 3.949 3.949 3.953 -0.004 25919 8071 1 13 . 1 1 63 63 LEU C C 63 178.113 178.113 178.501 -0.388 25919 8072 1 13 . 1 1 63 63 LEU CA C 63 57.860 57.860 58.188 -0.327 25919 8073 1 13 . 1 1 63 63 LEU CB C 63 41.526 41.526 41.810 -0.284 25919 8074 1 13 . 1 1 63 63 LEU H H 63 8.223 8.223 8.181 0.042 25919 8075 1 13 . 1 1 64 64 ILE N N 64 119.273 119.273 119.604 -0.331 25919 8076 1 13 . 1 1 64 64 ILE HA H 64 3.375 3.375 3.492 -0.117 25919 8077 1 13 . 1 1 64 64 ILE CA C 64 66.723 66.723 65.793 0.930 25919 8078 1 13 . 1 1 64 64 ILE CB C 64 38.161 38.161 37.530 0.631 25919 8079 1 13 . 1 1 64 64 ILE H H 64 8.301 8.301 8.567 -0.266 25919 8080 1 13 . 1 1 65 65 LYS N N 65 119.143 119.143 120.096 -0.953 25919 8081 1 13 . 1 1 65 65 LYS HA H 65 3.703 3.703 3.925 -0.222 25919 8082 1 13 . 1 1 65 65 LYS C C 65 173.869 173.869 178.965 -5.096 25919 8083 1 13 . 1 1 65 65 LYS CA C 65 60.451 60.451 59.865 0.586 25919 8084 1 13 . 1 1 65 65 LYS CB C 65 32.300 32.300 32.245 0.055 25919 8085 1 13 . 1 1 65 65 LYS H H 65 7.300 7.300 8.065 -0.765 25919 8086 1 13 . 1 1 66 66 ILE N N 66 120.527 120.527 121.267 -0.740 25919 8087 1 13 . 1 1 66 66 ILE HA H 66 3.541 3.541 3.750 -0.209 25919 8088 1 13 . 1 1 66 66 ILE C C 66 176.459 176.459 177.467 -1.008 25919 8089 1 13 . 1 1 66 66 ILE CA C 66 65.290 65.290 63.969 1.321 25919 8090 1 13 . 1 1 66 66 ILE CB C 66 38.254 38.254 37.749 0.505 25919 8091 1 13 . 1 1 66 66 ILE H H 66 8.048 8.048 7.526 0.522 25919 8092 1 13 . 1 1 67 67 ILE N N 67 121.527 121.527 120.896 0.631 25919 8093 1 13 . 1 1 67 67 ILE HA H 67 3.336 3.336 3.480 -0.144 25919 8094 1 13 . 1 1 67 67 ILE C C 67 178.102 178.102 178.027 0.075 25919 8095 1 13 . 1 1 67 67 ILE CA C 67 63.952 63.952 64.111 -0.159 25919 8096 1 13 . 1 1 67 67 ILE CB C 67 35.891 35.891 36.234 -0.343 25919 8097 1 13 . 1 1 67 67 ILE H H 67 8.308 8.308 8.238 0.070 25919 8098 1 13 . 1 1 68 68 ARG N N 68 119.384 119.384 119.904 -0.520 25919 8099 1 13 . 1 1 68 68 ARG HA H 68 2.970 2.970 3.334 -0.364 25919 8100 1 13 . 1 1 68 68 ARG C C 68 172.723 172.723 178.073 -5.350 25919 8101 1 13 . 1 1 68 68 ARG CA C 68 60.704 60.704 59.544 1.160 25919 8102 1 13 . 1 1 68 68 ARG CB C 68 30.320 30.320 29.989 0.331 25919 8103 1 13 . 1 1 68 68 ARG H H 68 8.336 8.336 8.280 0.056 25919 8104 1 13 . 1 1 69 69 ARG N N 69 117.648 117.648 117.636 0.012 25919 8105 1 13 . 1 1 69 69 ARG HA H 69 4.138 4.138 3.967 0.171 25919 8106 1 13 . 1 1 69 69 ARG C C 69 172.480 172.480 178.394 -5.914 25919 8107 1 13 . 1 1 69 69 ARG CA C 69 58.645 58.645 58.665 -0.020 25919 8108 1 13 . 1 1 69 69 ARG CB C 69 29.779 29.779 30.029 -0.250 25919 8109 1 13 . 1 1 69 69 ARG H H 69 7.432 7.432 7.797 -0.365 25919 8110 1 13 . 1 1 70 70 ARG N N 70 124.006 124.006 117.816 6.190 25919 8111 1 13 . 1 1 70 70 ARG HA H 70 4.074 4.074 4.105 -0.031 25919 8112 1 13 . 1 1 70 70 ARG C C 70 178.799 178.799 177.287 1.512 25919 8113 1 13 . 1 1 70 70 ARG CA C 70 58.385 58.385 57.779 0.606 25919 8114 1 13 . 1 1 70 70 ARG CB C 70 30.043 30.043 30.661 -0.618 25919 8115 1 13 . 1 1 70 70 ARG H H 70 8.212 8.212 7.895 0.317 25919 8116 1 13 . 1 1 71 71 LEU N N 71 117.764 117.764 118.996 -1.232 25919 8117 1 13 . 1 1 71 71 LEU HA H 71 4.085 4.085 4.235 -0.150 25919 8118 1 13 . 1 1 71 71 LEU CA C 71 55.063 55.063 54.435 0.627 25919 8119 1 13 . 1 1 71 71 LEU CB C 71 43.100 43.100 42.502 0.598 25919 8120 1 13 . 1 1 71 71 LEU H H 71 7.750 7.750 7.612 0.138 25919 8121 1 13 . 1 1 72 72 GLN N N 72 115.522 115.522 121.038 -5.516 25919 8122 1 13 . 1 1 72 72 GLN HA H 72 3.839 3.839 4.187 -0.348 25919 8123 1 13 . 1 1 72 72 GLN C C 72 175.744 175.744 175.493 0.251 25919 8124 1 13 . 1 1 72 72 GLN CA C 72 56.409 56.409 55.779 0.630 25919 8125 1 13 . 1 1 72 72 GLN CB C 72 25.959 25.959 26.593 -0.634 25919 8126 1 13 . 1 1 72 72 GLN H H 72 7.751 7.751 8.619 -0.868 25919 8127 1 13 . 1 1 73 73 LEU N N 73 115.900 115.900 120.986 -5.086 25919 8128 1 13 . 1 1 73 73 LEU HA H 73 4.254 4.254 4.356 -0.102 25919 8129 1 13 . 1 1 73 73 LEU C C 73 178.568 178.568 176.361 2.207 25919 8130 1 13 . 1 1 73 73 LEU CA C 73 54.468 54.468 54.499 -0.031 25919 8131 1 13 . 1 1 73 73 LEU CB C 73 42.050 42.050 42.424 -0.374 25919 8132 1 13 . 1 1 73 73 LEU H H 73 7.573 7.573 7.685 -0.112 25919 8133 1 13 . 1 1 74 74 ASN N N 74 122.154 122.154 117.805 4.349 25919 8134 1 13 . 1 1 74 74 ASN HA H 74 4.684 4.684 4.768 -0.084 25919 8135 1 13 . 1 1 74 74 ASN C C 74 174.122 174.122 175.736 -1.614 25919 8136 1 13 . 1 1 74 74 ASN CA C 74 52.724 52.724 52.563 0.161 25919 8137 1 13 . 1 1 74 74 ASN CB C 74 39.579 39.579 40.883 -1.304 25919 8138 1 13 . 1 1 74 74 ASN H H 74 8.949 8.949 8.155 0.794 25919 8139 1 13 . 1 1 75 75 ALA N N 75 124.274 124.274 124.773 -0.499 25919 8140 1 13 . 1 1 75 75 ALA HA H 75 3.972 3.972 4.166 -0.194 25919 8141 1 13 . 1 1 75 75 ALA C C 75 178.113 178.113 178.088 0.025 25919 8142 1 13 . 1 1 75 75 ALA CA C 75 54.900 54.900 54.217 0.683 25919 8143 1 13 . 1 1 75 75 ALA CB C 75 18.708 18.708 18.825 -0.117 25919 8144 1 13 . 1 1 75 75 ALA H H 75 8.690 8.690 8.715 -0.025 25919 8145 1 13 . 1 1 76 76 ASN N N 76 112.911 112.911 115.344 -2.433 25919 8146 1 13 . 1 1 76 76 ASN HA H 76 4.589 4.589 4.681 -0.092 25919 8147 1 13 . 1 1 76 76 ASN C C 76 175.515 175.515 175.672 -0.157 25919 8148 1 13 . 1 1 76 76 ASN CA C 76 53.276 53.276 54.072 -0.796 25919 8149 1 13 . 1 1 76 76 ASN CB C 76 38.343 38.343 38.995 -0.652 25919 8150 1 13 . 1 1 76 76 ASN H H 76 8.340 8.340 8.357 -0.017 25919 8151 1 13 . 1 1 77 77 GLN N N 77 121.144 121.144 119.607 1.537 25919 8152 1 13 . 1 1 77 77 GLN HA H 77 4.287 4.287 4.466 -0.179 25919 8153 1 13 . 1 1 77 77 GLN C C 77 175.053 175.053 175.194 -0.141 25919 8154 1 13 . 1 1 77 77 GLN CA C 77 55.856 55.856 55.097 0.759 25919 8155 1 13 . 1 1 77 77 GLN CB C 77 30.320 30.320 29.483 0.837 25919 8156 1 13 . 1 1 77 77 GLN H H 77 7.546 7.546 7.644 -0.098 25919 8157 1 13 . 1 1 78 78 ALA N N 78 131.146 131.146 126.915 4.231 25919 8158 1 13 . 1 1 78 78 ALA HA H 78 4.179 4.179 4.411 -0.232 25919 8159 1 13 . 1 1 78 78 ALA C C 78 176.453 176.453 176.118 0.335 25919 8160 1 13 . 1 1 78 78 ALA CA C 78 52.852 52.852 51.953 0.900 25919 8161 1 13 . 1 1 78 78 ALA CB C 78 20.074 20.074 19.732 0.342 25919 8162 1 13 . 1 1 78 78 ALA H H 78 8.730 8.730 8.460 0.270 25919 8163 1 13 . 1 1 79 79 PHE N N 79 119.860 119.860 124.614 -4.754 25919 8164 1 13 . 1 1 79 79 PHE HA H 79 4.453 4.453 5.132 -0.679 25919 8165 1 13 . 1 1 79 79 PHE C C 79 171.834 171.834 172.623 -0.789 25919 8166 1 13 . 1 1 79 79 PHE CA C 79 59.115 59.115 57.457 1.658 25919 8167 1 13 . 1 1 79 79 PHE CB C 79 42.246 42.246 42.444 -0.199 25919 8168 1 13 . 1 1 79 79 PHE H H 79 7.601 7.601 8.202 -0.601 25919 8169 1 13 . 1 1 80 80 PHE N N 80 126.800 126.800 123.895 2.905 25919 8170 1 13 . 1 1 80 80 PHE HA H 80 4.396 4.396 4.467 -0.071 25919 8171 1 13 . 1 1 80 80 PHE C C 80 173.169 173.169 173.069 0.100 25919 8172 1 13 . 1 1 80 80 PHE CA C 80 56.859 56.859 56.380 0.479 25919 8173 1 13 . 1 1 80 80 PHE CB C 80 41.946 41.946 43.228 -1.282 25919 8174 1 13 . 1 1 80 80 PHE H H 80 8.504 8.504 8.755 -0.251 25919 8175 1 13 . 1 1 81 81 LEU N N 81 122.590 122.590 125.214 -2.624 25919 8176 1 13 . 1 1 81 81 LEU HA H 81 4.902 4.902 4.691 0.211 25919 8177 1 13 . 1 1 81 81 LEU CA C 81 53.108 53.108 54.025 -0.917 25919 8178 1 13 . 1 1 81 81 LEU CB C 81 45.781 45.781 43.338 2.443 25919 8179 1 13 . 1 1 81 81 LEU H H 81 8.159 8.159 8.411 -0.252 25919 8180 1 13 . 1 1 82 82 LEU N N 82 126.414 126.414 126.138 0.276 25919 8181 1 13 . 1 1 82 82 LEU HA H 82 4.807 4.807 5.089 -0.282 25919 8182 1 13 . 1 1 82 82 LEU C C 82 174.204 174.204 175.622 -1.418 25919 8183 1 13 . 1 1 82 82 LEU CA C 82 54.200 54.200 53.294 0.906 25919 8184 1 13 . 1 1 82 82 LEU CB C 82 43.650 43.650 44.891 -1.241 25919 8185 1 13 . 1 1 82 82 LEU H H 82 9.347 9.347 9.282 0.065 25919 8186 1 13 . 1 1 83 83 VAL N N 83 123.910 123.910 122.466 1.444 25919 8187 1 13 . 1 1 83 83 VAL HA H 83 4.466 4.466 4.597 -0.131 25919 8188 1 13 . 1 1 83 83 VAL C C 83 175.891 175.891 176.530 -0.639 25919 8189 1 13 . 1 1 83 83 VAL CA C 83 61.339 61.339 60.861 0.478 25919 8190 1 13 . 1 1 83 83 VAL CB C 83 34.013 34.013 32.612 1.401 25919 8191 1 13 . 1 1 83 83 VAL H H 83 8.676 8.676 9.035 -0.359 25919 8192 1 13 . 1 1 84 84 ASN N N 84 127.149 127.149 128.338 -1.189 25919 8193 1 13 . 1 1 84 84 ASN HA H 84 4.384 4.384 4.428 -0.044 25919 8194 1 13 . 1 1 84 84 ASN CA C 84 54.494 54.494 54.347 0.146 25919 8195 1 13 . 1 1 84 84 ASN CB C 84 37.933 37.933 36.828 1.105 25919 8196 1 13 . 1 1 84 84 ASN H H 84 9.630 9.630 8.952 0.678 25919 8197 1 13 . 1 1 85 85 GLY N N 85 101.905 101.905 101.956 -0.051 25919 8198 1 13 . 1 1 85 85 GLY C C 85 175.112 175.112 173.854 1.258 25919 8199 1 13 . 1 1 85 85 GLY CA C 85 45.624 45.624 45.687 -0.062 25919 8200 1 13 . 1 1 85 85 GLY H H 85 8.670 8.670 8.766 -0.096 25919 8201 1 13 . 1 1 86 86 HIS N N 86 117.905 117.905 118.860 -0.955 25919 8202 1 13 . 1 1 86 86 HIS HA H 86 5.039 5.039 5.071 -0.032 25919 8203 1 13 . 1 1 86 86 HIS CA C 86 53.890 53.890 54.261 -0.371 25919 8204 1 13 . 1 1 86 86 HIS CB C 86 30.888 30.888 31.869 -0.981 25919 8205 1 13 . 1 1 86 86 HIS H H 86 7.927 7.927 7.833 0.094 25919 8206 1 13 . 1 1 87 87 SER N N 87 118.646 118.646 119.211 -0.565 25919 8207 1 13 . 1 1 87 87 SER HA H 87 4.397 4.397 4.536 -0.139 25919 8208 1 13 . 1 1 87 87 SER C C 87 175.275 175.275 174.917 0.358 25919 8209 1 13 . 1 1 87 87 SER CA C 87 58.414 58.414 59.159 -0.745 25919 8210 1 13 . 1 1 87 87 SER CB C 87 63.772 63.772 63.533 0.239 25919 8211 1 13 . 1 1 87 87 SER H H 87 8.927 8.927 9.480 -0.553 25919 8212 1 13 . 1 1 88 88 MET N N 88 126.013 126.013 126.588 -0.575 25919 8213 1 13 . 1 1 88 88 MET HA H 88 4.851 4.851 4.861 -0.010 25919 8214 1 13 . 1 1 88 88 MET C C 88 178.796 178.796 177.094 1.702 25919 8215 1 13 . 1 1 88 88 MET CA C 88 54.727 54.727 53.632 1.095 25919 8216 1 13 . 1 1 88 88 MET CB C 88 33.309 33.309 32.683 0.626 25919 8217 1 13 . 1 1 88 88 MET H H 88 9.088 9.088 9.002 0.086 25919 8218 1 13 . 1 1 89 89 VAL N N 89 121.153 121.153 120.064 1.089 25919 8219 1 13 . 1 1 89 89 VAL HA H 89 4.057 4.057 3.832 0.225 25919 8220 1 13 . 1 1 89 89 VAL C C 89 176.695 176.695 176.175 0.520 25919 8221 1 13 . 1 1 89 89 VAL CA C 89 63.592 63.592 65.483 -1.891 25919 8222 1 13 . 1 1 89 89 VAL CB C 89 32.422 32.422 30.663 1.759 25919 8223 1 13 . 1 1 89 89 VAL H H 89 8.144 8.144 7.586 0.558 25919 8224 1 13 . 1 1 90 90 SER N N 90 116.778 116.778 112.475 4.303 25919 8225 1 13 . 1 1 90 90 SER HA H 90 4.561 4.561 4.440 0.121 25919 8226 1 13 . 1 1 90 90 SER C C 90 173.898 173.898 175.045 -1.147 25919 8227 1 13 . 1 1 90 90 SER CA C 90 57.895 57.895 58.149 -0.254 25919 8228 1 13 . 1 1 90 90 SER CB C 90 63.133 63.133 63.352 -0.219 25919 8229 1 13 . 1 1 90 90 SER H H 90 8.322 8.322 7.967 0.355 25919 8230 1 13 . 1 1 91 91 VAL N N 91 120.735 120.735 123.317 -2.582 25919 8231 1 13 . 1 1 91 91 VAL HA H 91 4.286 4.286 4.181 0.105 25919 8232 1 13 . 1 1 91 91 VAL CA C 91 62.846 62.846 61.736 1.110 25919 8233 1 13 . 1 1 91 91 VAL CB C 91 32.069 32.069 33.370 -1.301 25919 8234 1 13 . 1 1 91 91 VAL H H 91 8.036 8.036 7.518 0.518 25919 8235 1 13 . 1 1 92 92 SER N N 92 118.146 118.146 120.400 -2.254 25919 8236 1 13 . 1 1 92 92 SER HA H 92 4.549 4.549 4.415 0.134 25919 8237 1 13 . 1 1 92 92 SER CA C 92 57.813 57.813 58.577 -0.764 25919 8238 1 13 . 1 1 92 92 SER CB C 92 63.488 63.488 63.648 -0.160 25919 8239 1 13 . 1 1 92 92 SER H H 92 8.470 8.470 8.635 -0.165 25919 8240 1 13 . 1 1 93 93 THR N N 93 119.747 119.747 118.254 1.493 25919 8241 1 13 . 1 1 93 93 THR HA H 93 4.467 4.467 4.387 0.080 25919 8242 1 13 . 1 1 93 93 THR CA C 93 61.005 61.005 62.766 -1.761 25919 8243 1 13 . 1 1 93 93 THR CB C 93 70.592 70.592 69.366 1.226 25919 8244 1 13 . 1 1 93 93 THR H H 93 7.382 7.382 7.721 -0.339 25919 8245 1 13 . 1 1 94 94 PRO HA H 94 4.424 4.424 4.664 -0.240 25919 8246 1 13 . 1 1 94 94 PRO CA C 94 63.060 63.060 62.565 0.496 25919 8247 1 13 . 1 1 94 94 PRO CB C 94 32.798 32.798 32.381 0.417 25919 8248 1 13 . 1 1 95 95 ILE N N 95 124.894 124.894 125.189 -0.295 25919 8249 1 13 . 1 1 95 95 ILE HA H 95 3.984 3.984 3.853 0.131 25919 8250 1 13 . 1 1 95 95 ILE CA C 95 63.963 63.963 62.607 1.356 25919 8251 1 13 . 1 1 95 95 ILE CB C 95 38.200 38.200 38.122 0.078 25919 8252 1 13 . 1 1 95 95 ILE H H 95 9.358 9.358 8.945 0.413 25919 8253 1 13 . 1 1 96 96 SER N N 96 117.523 117.523 115.694 1.829 25919 8254 1 13 . 1 1 96 96 SER HA H 96 4.004 4.004 4.156 -0.152 25919 8255 1 13 . 1 1 96 96 SER CA C 96 61.700 61.700 62.104 -0.404 25919 8256 1 13 . 1 1 96 96 SER CB C 96 61.400 61.400 62.790 -1.390 25919 8257 1 13 . 1 1 96 96 SER H H 96 8.202 8.202 7.773 0.429 25919 8258 1 13 . 1 1 97 97 GLU N N 97 123.657 123.657 121.163 2.494 25919 8259 1 13 . 1 1 97 97 GLU HA H 97 4.282 4.282 4.160 0.122 25919 8260 1 13 . 1 1 97 97 GLU CA C 97 58.700 58.700 59.040 -0.340 25919 8261 1 13 . 1 1 97 97 GLU CB C 97 29.800 29.800 29.478 0.322 25919 8262 1 13 . 1 1 97 97 GLU H H 97 7.301 7.301 7.745 -0.444 25919 8263 1 13 . 1 1 98 98 VAL N N 98 121.907 121.907 120.296 1.611 25919 8264 1 13 . 1 1 98 98 VAL HA H 98 3.797 3.797 3.703 0.094 25919 8265 1 13 . 1 1 98 98 VAL CA C 98 65.949 65.949 66.587 -0.638 25919 8266 1 13 . 1 1 98 98 VAL CB C 98 32.186 32.186 31.277 0.909 25919 8267 1 13 . 1 1 98 98 VAL H H 98 7.410 7.410 7.729 -0.319 25919 8268 1 13 . 1 1 99 99 TYR N N 99 119.526 119.526 121.629 -2.103 25919 8269 1 13 . 1 1 99 99 TYR HA H 99 4.016 4.016 4.012 0.004 25919 8270 1 13 . 1 1 99 99 TYR C C 99 175.741 175.741 177.596 -1.855 25919 8271 1 13 . 1 1 99 99 TYR CA C 99 62.229 62.229 62.147 0.082 25919 8272 1 13 . 1 1 99 99 TYR CB C 99 38.967 38.967 38.694 0.273 25919 8273 1 13 . 1 1 99 99 TYR H H 99 9.071 9.071 8.584 0.487 25919 8274 1 13 . 1 1 100 100 GLU N N 100 114.405 114.405 116.383 -1.978 25919 8275 1 13 . 1 1 100 100 GLU HA H 100 3.850 3.850 3.651 0.199 25919 8276 1 13 . 1 1 100 100 GLU C C 100 178.094 178.094 177.593 0.501 25919 8277 1 13 . 1 1 100 100 GLU CA C 100 58.920 58.920 58.649 0.271 25919 8278 1 13 . 1 1 100 100 GLU CB C 100 29.481 29.481 29.088 0.393 25919 8279 1 13 . 1 1 100 100 GLU H H 100 7.342 7.342 8.407 -1.065 25919 8280 1 13 . 1 1 101 101 SER N N 101 109.656 109.656 112.829 -3.173 25919 8281 1 13 . 1 1 101 101 SER HA H 101 4.529 4.529 4.380 0.149 25919 8282 1 13 . 1 1 101 101 SER C C 101 176.681 176.681 175.841 0.840 25919 8283 1 13 . 1 1 101 101 SER CA C 101 60.313 60.313 60.053 0.260 25919 8284 1 13 . 1 1 101 101 SER CB C 101 64.703 64.703 64.108 0.595 25919 8285 1 13 . 1 1 101 101 SER H H 101 7.410 7.410 7.696 -0.286 25919 8286 1 13 . 1 1 102 102 GLU N N 102 117.283 117.283 119.894 -2.611 25919 8287 1 13 . 1 1 102 102 GLU HA H 102 4.721 4.721 4.563 0.158 25919 8288 1 13 . 1 1 102 102 GLU CA C 102 55.592 55.592 54.482 1.110 25919 8289 1 13 . 1 1 102 102 GLU CB C 102 30.564 30.564 30.882 -0.318 25919 8290 1 13 . 1 1 102 102 GLU H H 102 8.500 8.500 8.127 0.373 25919 8291 1 13 . 1 1 103 103 LYS N N 103 118.772 118.772 119.459 -0.687 25919 8292 1 13 . 1 1 103 103 LYS HA H 103 4.179 4.179 4.440 -0.261 25919 8293 1 13 . 1 1 103 103 LYS C C 103 175.032 175.032 176.079 -1.047 25919 8294 1 13 . 1 1 103 103 LYS CA C 103 57.154 57.154 56.831 0.323 25919 8295 1 13 . 1 1 103 103 LYS CB C 103 32.238 32.238 32.707 -0.469 25919 8296 1 13 . 1 1 103 103 LYS H H 103 7.777 7.777 7.717 0.060 25919 8297 1 13 . 1 1 104 104 ASP N N 104 124.024 124.024 124.801 -0.777 25919 8298 1 13 . 1 1 104 104 ASP HA H 104 5.032 5.032 4.901 0.131 25919 8299 1 13 . 1 1 104 104 ASP C C 104 177.548 177.548 177.636 -0.088 25919 8300 1 13 . 1 1 104 104 ASP CA C 104 53.882 53.882 52.661 1.221 25919 8301 1 13 . 1 1 104 104 ASP CB C 104 43.420 43.420 42.510 0.910 25919 8302 1 13 . 1 1 104 104 ASP H H 104 9.030 9.030 8.691 0.339 25919 8303 1 13 . 1 1 105 105 GLU N N 105 125.669 125.669 120.667 5.002 25919 8304 1 13 . 1 1 105 105 GLU HA H 105 4.179 4.179 4.116 0.063 25919 8305 1 13 . 1 1 105 105 GLU CA C 105 59.526 59.526 59.487 0.039 25919 8306 1 13 . 1 1 105 105 GLU CB C 105 30.036 30.036 29.378 0.658 25919 8307 1 13 . 1 1 105 105 GLU H H 105 8.894 8.894 8.863 0.031 25919 8308 1 13 . 1 1 106 106 ASP N N 106 119.257 119.257 116.911 2.346 25919 8309 1 13 . 1 1 106 106 ASP HA H 106 4.180 4.180 4.428 -0.248 25919 8310 1 13 . 1 1 106 106 ASP C C 106 176.018 176.018 176.269 -0.251 25919 8311 1 13 . 1 1 106 106 ASP CA C 106 54.750 54.750 55.185 -0.435 25919 8312 1 13 . 1 1 106 106 ASP CB C 106 40.250 40.250 40.193 0.057 25919 8313 1 13 . 1 1 106 106 ASP H H 106 9.838 9.838 8.437 1.401 25919 8314 1 13 . 1 1 107 107 GLY N N 107 106.307 106.307 105.113 1.194 25919 8315 1 13 . 1 1 107 107 GLY CA C 107 45.125 45.125 45.617 -0.492 25919 8316 1 13 . 1 1 107 107 GLY H H 107 7.945 7.945 8.128 -0.183 25919 8317 1 13 . 1 1 108 108 PHE N N 108 124.389 124.389 115.382 9.007 25919 8318 1 13 . 1 1 108 108 PHE HA H 108 4.670 4.670 5.124 -0.454 25919 8319 1 13 . 1 1 108 108 PHE C C 108 179.501 179.501 174.299 5.202 25919 8320 1 13 . 1 1 108 108 PHE CA C 108 60.288 60.288 53.713 6.575 25919 8321 1 13 . 1 1 108 108 PHE CB C 108 40.506 40.506 40.068 0.438 25919 8322 1 13 . 1 1 108 108 PHE H H 108 9.739 9.739 6.887 2.852 25919 8323 1 13 . 1 1 109 109 LEU N N 109 120.814 120.814 120.903 -0.089 25919 8324 1 13 . 1 1 109 109 LEU HA H 109 5.038 5.038 4.793 0.245 25919 8325 1 13 . 1 1 109 109 LEU CA C 109 53.479 53.479 54.238 -0.759 25919 8326 1 13 . 1 1 109 109 LEU CB C 109 45.197 45.197 43.218 1.979 25919 8327 1 13 . 1 1 109 109 LEU H H 109 7.968 7.968 8.371 -0.403 25919 8328 1 13 . 1 1 110 110 TYR N N 110 127.403 127.403 126.904 0.499 25919 8329 1 13 . 1 1 110 110 TYR HA H 110 4.907 4.907 4.950 -0.043 25919 8330 1 13 . 1 1 110 110 TYR CA C 110 59.259 59.259 58.861 0.398 25919 8331 1 13 . 1 1 110 110 TYR CB C 110 39.469 39.469 39.495 -0.026 25919 8332 1 13 . 1 1 110 110 TYR H H 110 9.349 9.349 8.961 0.388 25919 8333 1 13 . 1 1 111 111 MET N N 111 120.344 120.344 121.082 -0.738 25919 8334 1 13 . 1 1 111 111 MET HA H 111 5.543 5.543 5.361 0.182 25919 8335 1 13 . 1 1 111 111 MET CA C 111 54.341 54.341 54.616 -0.275 25919 8336 1 13 . 1 1 111 111 MET CB C 111 36.894 36.894 37.038 -0.143 25919 8337 1 13 . 1 1 111 111 MET H H 111 9.575 9.575 9.259 0.316 25919 8338 1 13 . 1 1 112 112 VAL N N 112 121.026 121.026 120.278 0.748 25919 8339 1 13 . 1 1 112 112 VAL HA H 112 5.938 5.938 5.399 0.539 25919 8340 1 13 . 1 1 112 112 VAL C C 112 176.696 176.696 174.619 2.077 25919 8341 1 13 . 1 1 112 112 VAL CA C 112 59.068 59.068 60.023 -0.955 25919 8342 1 13 . 1 1 112 112 VAL CB C 112 36.180 36.180 35.409 0.771 25919 8343 1 13 . 1 1 112 112 VAL H H 112 8.730 8.730 9.046 -0.316 25919 8344 1 13 . 1 1 113 113 TYR N N 113 119.995 119.995 122.546 -2.551 25919 8345 1 13 . 1 1 113 113 TYR HA H 113 6.143 6.143 5.706 0.437 25919 8346 1 13 . 1 1 113 113 TYR C C 113 173.533 173.533 172.949 0.584 25919 8347 1 13 . 1 1 113 113 TYR CA C 113 54.165 54.165 55.603 -1.438 25919 8348 1 13 . 1 1 113 113 TYR CB C 113 43.667 43.667 42.401 1.266 25919 8349 1 13 . 1 1 113 113 TYR H H 113 8.172 8.172 9.051 -0.879 25919 8350 1 13 . 1 1 114 114 ALA N N 114 120.454 120.454 125.849 -5.395 25919 8351 1 13 . 1 1 114 114 ALA HA H 114 4.750 4.750 4.890 -0.140 25919 8352 1 13 . 1 1 114 114 ALA C C 114 176.007 176.007 175.924 0.083 25919 8353 1 13 . 1 1 114 114 ALA CA C 114 51.356 51.356 51.299 0.057 25919 8354 1 13 . 1 1 114 114 ALA CB C 114 24.623 24.623 21.479 3.144 25919 8355 1 13 . 1 1 114 114 ALA H H 114 8.499 8.499 8.501 -0.002 25919 8356 1 13 . 1 1 115 115 SER N N 115 115.279 115.279 113.079 2.200 25919 8357 1 13 . 1 1 115 115 SER HA H 115 4.505 4.505 4.683 -0.178 25919 8358 1 13 . 1 1 115 115 SER C C 115 172.860 172.860 174.240 -1.380 25919 8359 1 13 . 1 1 115 115 SER CA C 115 58.837 58.837 59.558 -0.721 25919 8360 1 13 . 1 1 115 115 SER CB C 115 63.798 63.798 63.791 0.007 25919 8361 1 13 . 1 1 115 115 SER H H 115 9.823 9.823 8.872 0.951 25919 8362 1 13 . 1 1 116 116 GLN N N 116 117.398 117.398 118.261 -0.863 25919 8363 1 13 . 1 1 116 116 GLN HA H 116 4.453 4.453 4.507 -0.054 25919 8364 1 13 . 1 1 116 116 GLN C C 116 173.181 173.181 174.408 -1.227 25919 8365 1 13 . 1 1 116 116 GLN CA C 116 54.024 54.024 55.066 -1.042 25919 8366 1 13 . 1 1 116 116 GLN CB C 116 32.179 32.179 30.289 1.890 25919 8367 1 13 . 1 1 116 116 GLN H H 116 7.165 7.165 7.384 -0.219 25919 8368 1 13 . 1 1 117 117 GLU N N 117 118.885 118.885 120.507 -1.622 25919 8369 1 13 . 1 1 117 117 GLU HA H 117 3.224 3.224 4.037 -0.813 25919 8370 1 13 . 1 1 117 117 GLU C C 117 175.451 175.451 176.561 -1.110 25919 8371 1 13 . 1 1 117 117 GLU CA C 117 56.917 56.917 57.591 -0.674 25919 8372 1 13 . 1 1 117 117 GLU CB C 117 30.206 30.206 29.448 0.758 25919 8373 1 13 . 1 1 117 117 GLU H H 117 7.873 7.873 8.644 -0.771 25919 8374 1 13 . 1 1 118 118 THR N N 118 110.883 110.883 112.416 -1.533 25919 8375 1 13 . 1 1 118 118 THR HA H 118 4.074 4.074 3.924 0.150 25919 8376 1 13 . 1 1 118 118 THR C C 118 173.234 173.234 173.646 -0.412 25919 8377 1 13 . 1 1 118 118 THR CA C 118 60.300 60.300 61.923 -1.623 25919 8378 1 13 . 1 1 118 118 THR CB C 118 70.118 70.118 69.510 0.608 25919 8379 1 13 . 1 1 118 118 THR H H 118 6.988 6.988 7.571 -0.583 25919 8380 1 13 . 1 1 119 119 PHE N N 119 122.773 122.773 114.011 8.762 25919 8381 1 13 . 1 1 119 119 PHE HA H 119 4.397 4.397 4.619 -0.222 25919 8382 1 13 . 1 1 119 119 PHE C C 119 175.045 175.045 174.995 0.050 25919 8383 1 13 . 1 1 119 119 PHE CA C 119 56.810 56.810 56.219 0.591 25919 8384 1 13 . 1 1 119 119 PHE CB C 119 39.349 39.349 40.397 -1.048 25919 8385 1 13 . 1 1 119 119 PHE H H 119 8.122 8.122 7.552 0.570 25919 8386 1 14 . 1 1 2 2 PRO HA H 2 4.424 4.424 4.955 -0.531 25919 8387 1 14 . 1 1 2 2 PRO C C 2 176.917 176.917 176.414 0.503 25919 8388 1 14 . 1 1 2 2 PRO CA C 2 63.418 63.418 62.826 0.592 25919 8389 1 14 . 1 1 2 2 PRO CB C 2 32.160 32.160 30.266 1.894 25919 8390 1 14 . 1 1 3 3 SER N N 3 116.273 116.273 117.187 -0.914 25919 8391 1 14 . 1 1 3 3 SER HA H 3 4.389 4.389 4.604 -0.215 25919 8392 1 14 . 1 1 3 3 SER C C 3 174.762 174.762 173.219 1.543 25919 8393 1 14 . 1 1 3 3 SER CA C 3 58.472 58.472 56.672 1.800 25919 8394 1 14 . 1 1 3 3 SER CB C 3 63.913 63.913 64.665 -0.752 25919 8395 1 14 . 1 1 3 3 SER H H 3 8.366 8.366 7.902 0.464 25919 8396 1 14 . 1 1 4 4 GLU N N 4 123.959 123.959 121.257 2.702 25919 8397 1 14 . 1 1 4 4 GLU HA H 4 4.289 4.289 4.361 -0.072 25919 8398 1 14 . 1 1 4 4 GLU C C 4 176.545 176.545 175.596 0.949 25919 8399 1 14 . 1 1 4 4 GLU CA C 4 56.785 56.785 57.043 -0.258 25919 8400 1 14 . 1 1 4 4 GLU CB C 4 30.200 30.200 30.305 -0.105 25919 8401 1 14 . 1 1 4 4 GLU H H 4 8.513 8.513 8.571 -0.058 25919 8402 1 14 . 1 1 5 5 LYS N N 5 122.165 122.165 118.458 3.707 25919 8403 1 14 . 1 1 5 5 LYS HA H 5 4.508 4.508 4.080 0.428 25919 8404 1 14 . 1 1 5 5 LYS C C 5 177.178 177.178 175.665 1.513 25919 8405 1 14 . 1 1 5 5 LYS CA C 5 56.000 56.000 56.624 -0.624 25919 8406 1 14 . 1 1 5 5 LYS CB C 5 34.758 34.758 32.611 2.147 25919 8407 1 14 . 1 1 5 5 LYS H H 5 8.198 8.198 8.471 -0.273 25919 8408 1 14 . 1 1 6 6 THR N N 6 115.586 115.586 110.106 5.480 25919 8409 1 14 . 1 1 6 6 THR HA H 6 4.426 4.426 4.416 0.010 25919 8410 1 14 . 1 1 6 6 THR C C 6 175.570 175.570 176.452 -0.882 25919 8411 1 14 . 1 1 6 6 THR CA C 6 61.120 61.120 60.770 0.350 25919 8412 1 14 . 1 1 6 6 THR CB C 6 69.871 69.871 69.770 0.101 25919 8413 1 14 . 1 1 6 6 THR H H 6 8.423 8.423 7.942 0.481 25919 8414 1 14 . 1 1 7 7 PHE N N 7 126.100 126.100 117.714 8.386 25919 8415 1 14 . 1 1 7 7 PHE HA H 7 3.935 3.935 4.466 -0.531 25919 8416 1 14 . 1 1 7 7 PHE CA C 7 63.687 63.687 58.757 4.931 25919 8417 1 14 . 1 1 7 7 PHE CB C 7 39.656 39.656 37.775 1.881 25919 8418 1 14 . 1 1 7 7 PHE H H 7 10.276 10.276 8.743 1.533 25919 8419 1 14 . 1 1 8 8 LYS N N 8 115.026 115.026 122.432 -7.406 25919 8420 1 14 . 1 1 8 8 LYS HA H 8 3.800 3.800 4.178 -0.378 25919 8421 1 14 . 1 1 8 8 LYS CA C 8 59.944 59.944 58.297 1.647 25919 8422 1 14 . 1 1 8 8 LYS CB C 8 33.852 33.852 32.098 1.754 25919 8423 1 14 . 1 1 8 8 LYS H H 8 8.707 8.707 7.704 1.003 25919 8424 1 14 . 1 1 9 9 GLN N N 9 113.774 113.774 116.806 -3.032 25919 8425 1 14 . 1 1 9 9 GLN HA H 9 4.178 4.178 4.127 0.051 25919 8426 1 14 . 1 1 9 9 GLN C C 9 173.193 173.193 177.771 -4.578 25919 8427 1 14 . 1 1 9 9 GLN CA C 9 56.741 56.741 57.898 -1.157 25919 8428 1 14 . 1 1 9 9 GLN CB C 9 30.065 30.065 29.051 1.014 25919 8429 1 14 . 1 1 9 9 GLN H H 9 7.343 7.343 7.803 -0.460 25919 8430 1 14 . 1 1 10 10 ARG N N 10 119.156 119.156 116.805 2.351 25919 8431 1 14 . 1 1 10 10 ARG HA H 10 4.248 4.248 4.560 -0.312 25919 8432 1 14 . 1 1 10 10 ARG CA C 10 57.555 57.555 56.383 1.173 25919 8433 1 14 . 1 1 10 10 ARG CB C 10 31.771 31.771 32.869 -1.098 25919 8434 1 14 . 1 1 10 10 ARG H H 10 7.912 7.912 7.995 -0.083 25919 8435 1 14 . 1 1 11 11 ARG N N 11 120.777 120.777 119.977 0.800 25919 8436 1 14 . 1 1 11 11 ARG HA H 11 4.685 4.685 4.820 -0.135 25919 8437 1 14 . 1 1 11 11 ARG CA C 11 53.161 53.161 54.736 -1.575 25919 8438 1 14 . 1 1 11 11 ARG CB C 11 32.773 32.773 33.289 -0.516 25919 8439 1 14 . 1 1 11 11 ARG H H 11 7.341 7.341 8.459 -1.118 25919 8440 1 14 . 1 1 12 12 THR N N 12 116.696 116.696 113.664 3.032 25919 8441 1 14 . 1 1 12 12 THR HA H 12 4.358 4.358 4.840 -0.482 25919 8442 1 14 . 1 1 12 12 THR C C 12 175.056 175.056 175.026 0.030 25919 8443 1 14 . 1 1 12 12 THR CA C 12 61.795 61.795 59.803 1.992 25919 8444 1 14 . 1 1 12 12 THR CB C 12 71.050 71.050 71.458 -0.408 25919 8445 1 14 . 1 1 12 12 THR H H 12 8.855 8.855 8.126 0.729 25919 8446 1 14 . 1 1 13 13 PHE N N 13 123.894 123.894 121.695 2.199 25919 8447 1 14 . 1 1 13 13 PHE HA H 13 4.043 4.043 4.160 -0.117 25919 8448 1 14 . 1 1 13 13 PHE C C 13 176.234 176.234 176.711 -0.477 25919 8449 1 14 . 1 1 13 13 PHE CA C 13 62.947 62.947 62.547 0.400 25919 8450 1 14 . 1 1 13 13 PHE CB C 13 39.571 39.571 39.554 0.017 25919 8451 1 14 . 1 1 13 13 PHE H H 13 9.221 9.221 9.042 0.179 25919 8452 1 14 . 1 1 14 14 GLU N N 14 116.516 116.516 117.542 -1.026 25919 8453 1 14 . 1 1 14 14 GLU HA H 14 3.812 3.812 3.928 -0.116 25919 8454 1 14 . 1 1 14 14 GLU CA C 14 60.699 60.699 59.472 1.227 25919 8455 1 14 . 1 1 14 14 GLU CB C 14 28.943 28.943 29.289 -0.346 25919 8456 1 14 . 1 1 14 14 GLU H H 14 9.002 9.002 8.731 0.271 25919 8457 1 14 . 1 1 15 15 GLN N N 15 119.291 119.291 117.638 1.653 25919 8458 1 14 . 1 1 15 15 GLN HA H 15 4.024 4.024 4.098 -0.074 25919 8459 1 14 . 1 1 15 15 GLN C C 15 175.263 175.263 178.450 -3.187 25919 8460 1 14 . 1 1 15 15 GLN CA C 15 58.800 58.800 58.267 0.533 25919 8461 1 14 . 1 1 15 15 GLN CB C 15 29.300 29.300 28.177 1.123 25919 8462 1 14 . 1 1 15 15 GLN H H 15 7.706 7.706 8.265 -0.559 25919 8463 1 14 . 1 1 16 16 ARG N N 16 122.883 122.883 120.174 2.709 25919 8464 1 14 . 1 1 16 16 ARG HA H 16 4.235 4.235 4.035 0.200 25919 8465 1 14 . 1 1 16 16 ARG CA C 16 61.660 61.660 58.989 2.671 25919 8466 1 14 . 1 1 16 16 ARG CB C 16 30.877 30.877 29.982 0.895 25919 8467 1 14 . 1 1 16 16 ARG H H 16 8.567 8.567 8.575 -0.008 25919 8468 1 14 . 1 1 17 17 VAL N N 17 118.523 118.523 120.258 -1.735 25919 8469 1 14 . 1 1 17 17 VAL HA H 17 3.865 3.865 3.614 0.251 25919 8470 1 14 . 1 1 17 17 VAL C C 17 174.213 174.213 178.350 -4.137 25919 8471 1 14 . 1 1 17 17 VAL CA C 17 65.550 65.550 66.575 -1.025 25919 8472 1 14 . 1 1 17 17 VAL CB C 17 32.171 32.171 31.332 0.839 25919 8473 1 14 . 1 1 17 17 VAL H H 17 8.430 8.430 8.227 0.203 25919 8474 1 14 . 1 1 18 18 GLU N N 18 120.170 120.170 119.789 0.381 25919 8475 1 14 . 1 1 18 18 GLU HA H 18 4.212 4.212 3.941 0.271 25919 8476 1 14 . 1 1 18 18 GLU C C 18 175.758 175.758 179.160 -3.402 25919 8477 1 14 . 1 1 18 18 GLU CA C 18 58.488 58.488 59.466 -0.978 25919 8478 1 14 . 1 1 18 18 GLU CB C 18 29.360 29.360 28.848 0.513 25919 8479 1 14 . 1 1 18 18 GLU H H 18 7.423 7.423 8.233 -0.810 25919 8480 1 14 . 1 1 19 19 ASP N N 19 121.273 121.273 120.584 0.689 25919 8481 1 14 . 1 1 19 19 ASP HA H 19 4.384 4.384 4.321 0.063 25919 8482 1 14 . 1 1 19 19 ASP C C 19 177.016 177.016 178.922 -1.906 25919 8483 1 14 . 1 1 19 19 ASP CA C 19 56.900 56.900 57.275 -0.375 25919 8484 1 14 . 1 1 19 19 ASP CB C 19 41.884 41.884 40.271 1.613 25919 8485 1 14 . 1 1 19 19 ASP H H 19 7.955 7.955 8.412 -0.457 25919 8486 1 14 . 1 1 20 20 VAL N N 20 119.523 119.523 119.837 -0.314 25919 8487 1 14 . 1 1 20 20 VAL HA H 20 3.232 3.232 3.583 -0.351 25919 8488 1 14 . 1 1 20 20 VAL C C 20 173.876 173.876 177.906 -4.030 25919 8489 1 14 . 1 1 20 20 VAL CA C 20 66.128 66.128 66.416 -0.288 25919 8490 1 14 . 1 1 20 20 VAL CB C 20 31.099 31.099 31.413 -0.314 25919 8491 1 14 . 1 1 20 20 VAL H H 20 7.818 7.818 8.061 -0.243 25919 8492 1 14 . 1 1 21 21 ARG N N 21 120.310 120.310 120.607 -0.297 25919 8493 1 14 . 1 1 21 21 ARG HA H 21 3.803 3.803 4.022 -0.219 25919 8494 1 14 . 1 1 21 21 ARG CA C 21 59.934 59.934 59.847 0.087 25919 8495 1 14 . 1 1 21 21 ARG CB C 21 30.076 30.076 30.107 -0.031 25919 8496 1 14 . 1 1 21 21 ARG H H 21 8.037 8.037 8.058 -0.021 25919 8497 1 14 . 1 1 22 22 LEU N N 22 118.660 118.660 119.839 -1.179 25919 8498 1 14 . 1 1 22 22 LEU HA H 22 4.094 4.094 3.990 0.104 25919 8499 1 14 . 1 1 22 22 LEU C C 22 177.626 177.626 179.248 -1.622 25919 8500 1 14 . 1 1 22 22 LEU CA C 22 57.738 57.738 58.158 -0.420 25919 8501 1 14 . 1 1 22 22 LEU CB C 22 42.222 42.222 41.935 0.287 25919 8502 1 14 . 1 1 22 22 LEU H H 22 8.050 8.050 8.508 -0.458 25919 8503 1 14 . 1 1 23 23 ILE N N 23 122.825 122.825 119.624 3.201 25919 8504 1 14 . 1 1 23 23 ILE HA H 23 4.122 4.122 3.621 0.501 25919 8505 1 14 . 1 1 23 23 ILE C C 23 176.226 176.226 178.228 -2.002 25919 8506 1 14 . 1 1 23 23 ILE CA C 23 61.243 61.243 64.146 -2.903 25919 8507 1 14 . 1 1 23 23 ILE CB C 23 38.268 38.268 37.210 1.058 25919 8508 1 14 . 1 1 23 23 ILE H H 23 8.390 8.390 8.349 0.041 25919 8509 1 14 . 1 1 24 24 ARG N N 24 122.365 122.365 119.224 3.141 25919 8510 1 14 . 1 1 24 24 ARG HA H 24 4.017 4.017 4.075 -0.058 25919 8511 1 14 . 1 1 24 24 ARG CA C 24 57.684 57.684 58.492 -0.808 25919 8512 1 14 . 1 1 24 24 ARG CB C 24 28.817 28.817 29.609 -0.792 25919 8513 1 14 . 1 1 24 24 ARG H H 24 8.540 8.540 8.510 0.030 25919 8514 1 14 . 1 1 25 25 GLU N N 25 118.383 118.383 119.346 -0.963 25919 8515 1 14 . 1 1 25 25 GLU HA H 25 4.044 4.044 4.150 -0.106 25919 8516 1 14 . 1 1 25 25 GLU CA C 25 58.680 58.680 58.300 0.380 25919 8517 1 14 . 1 1 25 25 GLU CB C 25 29.850 29.850 29.903 -0.053 25919 8518 1 14 . 1 1 25 25 GLU H H 25 7.287 7.287 7.686 -0.399 25919 8519 1 14 . 1 1 26 26 GLN N N 26 117.165 117.165 116.539 0.626 25919 8520 1 14 . 1 1 26 26 GLN HA H 26 3.948 3.948 4.196 -0.248 25919 8521 1 14 . 1 1 26 26 GLN C C 26 176.221 176.221 177.134 -0.913 25919 8522 1 14 . 1 1 26 26 GLN CA C 26 57.638 57.638 57.162 0.476 25919 8523 1 14 . 1 1 26 26 GLN CB C 26 30.320 30.320 29.690 0.630 25919 8524 1 14 . 1 1 26 26 GLN H H 26 7.423 7.423 8.012 -0.589 25919 8525 1 14 . 1 1 27 27 HIS N N 27 117.140 117.140 117.144 -0.004 25919 8526 1 14 . 1 1 27 27 HIS HA H 27 4.866 4.866 4.985 -0.119 25919 8527 1 14 . 1 1 27 27 HIS CA C 27 53.305 53.305 52.810 0.494 25919 8528 1 14 . 1 1 27 27 HIS CB C 27 30.917 30.917 29.768 1.149 25919 8529 1 14 . 1 1 27 27 HIS H H 27 8.254 8.254 8.170 0.084 25919 8530 1 14 . 1 1 28 28 PRO HA H 28 4.609 4.609 4.311 0.298 25919 8531 1 14 . 1 1 28 28 PRO CA C 28 64.881 64.881 64.707 0.174 25919 8532 1 14 . 1 1 28 28 PRO CB C 28 32.554 32.554 31.777 0.777 25919 8533 1 14 . 1 1 29 29 THR N N 29 107.339 107.339 106.603 0.736 25919 8534 1 14 . 1 1 29 29 THR HA H 29 4.644 4.644 4.207 0.437 25919 8535 1 14 . 1 1 29 29 THR C C 29 172.933 172.933 173.888 -0.955 25919 8536 1 14 . 1 1 29 29 THR CA C 29 60.600 60.600 62.492 -1.892 25919 8537 1 14 . 1 1 29 29 THR CB C 29 68.520 68.520 69.038 -0.518 25919 8538 1 14 . 1 1 29 29 THR H H 29 7.764 7.764 8.149 -0.385 25919 8539 1 14 . 1 1 30 30 LYS N N 30 118.273 118.273 121.224 -2.951 25919 8540 1 14 . 1 1 30 30 LYS HA H 30 4.926 4.926 5.003 -0.077 25919 8541 1 14 . 1 1 30 30 LYS C C 30 175.010 175.010 175.191 -0.181 25919 8542 1 14 . 1 1 30 30 LYS CA C 30 53.740 53.740 55.066 -1.326 25919 8543 1 14 . 1 1 30 30 LYS CB C 30 36.445 36.445 35.492 0.953 25919 8544 1 14 . 1 1 30 30 LYS H H 30 7.478 7.478 7.610 -0.132 25919 8545 1 14 . 1 1 31 31 ILE N N 31 123.498 123.498 123.454 0.044 25919 8546 1 14 . 1 1 31 31 ILE HA H 31 4.139 4.139 4.197 -0.058 25919 8547 1 14 . 1 1 31 31 ILE CA C 31 54.669 54.669 56.145 -1.476 25919 8548 1 14 . 1 1 31 31 ILE CB C 31 38.427 38.427 37.898 0.529 25919 8549 1 14 . 1 1 31 31 ILE H H 31 9.235 9.235 8.843 0.392 25919 8550 1 14 . 1 1 32 32 PRO HA H 32 5.212 5.212 4.526 0.686 25919 8551 1 14 . 1 1 32 32 PRO C C 32 174.832 174.832 175.837 -1.005 25919 8552 1 14 . 1 1 32 32 PRO CA C 32 61.678 61.678 62.606 -0.928 25919 8553 1 14 . 1 1 32 32 PRO CB C 32 30.993 30.993 31.894 -0.901 25919 8554 1 14 . 1 1 33 33 VAL N N 33 124.964 124.964 122.975 1.989 25919 8555 1 14 . 1 1 33 33 VAL HA H 33 5.234 5.234 4.435 0.799 25919 8556 1 14 . 1 1 33 33 VAL CA C 33 59.611 59.611 61.801 -2.190 25919 8557 1 14 . 1 1 33 33 VAL CB C 33 35.711 35.711 35.512 0.199 25919 8558 1 14 . 1 1 33 33 VAL H H 33 9.289 9.289 8.895 0.394 25919 8559 1 14 . 1 1 34 34 ILE N N 34 127.908 127.908 127.512 0.396 25919 8560 1 14 . 1 1 34 34 ILE HA H 34 4.742 4.742 4.401 0.341 25919 8561 1 14 . 1 1 34 34 ILE CA C 34 56.330 56.330 58.895 -2.565 25919 8562 1 14 . 1 1 34 34 ILE CB C 34 36.629 36.629 37.309 -0.680 25919 8563 1 14 . 1 1 34 34 ILE H H 34 8.594 8.594 8.766 -0.172 25919 8564 1 14 . 1 1 35 35 ILE N N 35 125.405 125.405 126.583 -1.178 25919 8565 1 14 . 1 1 35 35 ILE HA H 35 4.879 4.879 5.405 -0.526 25919 8566 1 14 . 1 1 35 35 ILE C C 35 176.126 176.126 174.526 1.600 25919 8567 1 14 . 1 1 35 35 ILE CA C 35 60.923 60.923 58.657 2.266 25919 8568 1 14 . 1 1 35 35 ILE CB C 35 38.968 38.968 42.283 -3.315 25919 8569 1 14 . 1 1 35 35 ILE H H 35 8.545 8.545 8.648 -0.103 25919 8570 1 14 . 1 1 36 36 GLU N N 36 124.153 124.153 125.214 -1.061 25919 8571 1 14 . 1 1 36 36 GLU HA H 36 4.789 4.789 5.222 -0.433 25919 8572 1 14 . 1 1 36 36 GLU C C 36 173.645 173.645 174.600 -0.955 25919 8573 1 14 . 1 1 36 36 GLU CA C 36 54.282 54.282 54.782 -0.500 25919 8574 1 14 . 1 1 36 36 GLU CB C 36 35.401 35.401 34.238 1.163 25919 8575 1 14 . 1 1 36 36 GLU H H 36 8.363 8.363 8.612 -0.249 25919 8576 1 14 . 1 1 37 37 ARG N N 37 123.957 123.957 126.816 -2.859 25919 8577 1 14 . 1 1 37 37 ARG HA H 37 2.804 2.804 3.376 -0.572 25919 8578 1 14 . 1 1 37 37 ARG C C 37 176.456 176.456 175.887 0.569 25919 8579 1 14 . 1 1 37 37 ARG CA C 37 56.120 56.120 56.811 -0.691 25919 8580 1 14 . 1 1 37 37 ARG CB C 37 31.500 31.500 30.669 0.831 25919 8581 1 14 . 1 1 37 37 ARG H H 37 8.853 8.853 8.877 -0.024 25919 8582 1 14 . 1 1 38 38 TYR N N 38 129.636 129.636 127.903 1.733 25919 8583 1 14 . 1 1 38 38 TYR HA H 38 4.311 4.311 4.331 -0.020 25919 8584 1 14 . 1 1 38 38 TYR CA C 38 57.907 57.907 58.719 -0.812 25919 8585 1 14 . 1 1 38 38 TYR CB C 38 39.567 39.567 39.660 -0.093 25919 8586 1 14 . 1 1 38 38 TYR H H 38 8.663 8.663 8.299 0.364 25919 8587 1 14 . 1 1 39 39 LYS N N 39 130.772 130.772 128.991 1.781 25919 8588 1 14 . 1 1 39 39 LYS HA H 39 3.848 3.848 3.781 0.067 25919 8589 1 14 . 1 1 39 39 LYS CA C 39 58.986 58.986 59.145 -0.160 25919 8590 1 14 . 1 1 39 39 LYS CB C 39 31.777 31.777 32.043 -0.266 25919 8591 1 14 . 1 1 39 39 LYS H H 39 8.389 8.389 8.486 -0.097 25919 8592 1 14 . 1 1 40 40 GLY N N 40 106.013 106.013 102.218 3.795 25919 8593 1 14 . 1 1 40 40 GLY C C 40 173.407 173.407 174.315 -0.908 25919 8594 1 14 . 1 1 40 40 GLY CA C 40 44.796 44.796 44.935 -0.139 25919 8595 1 14 . 1 1 40 40 GLY H H 40 5.643 5.643 6.708 -1.065 25919 8596 1 14 . 1 1 41 41 GLU N N 41 123.519 123.519 119.335 4.184 25919 8597 1 14 . 1 1 41 41 GLU HA H 41 4.265 4.265 4.078 0.187 25919 8598 1 14 . 1 1 41 41 GLU C C 41 176.231 176.231 175.543 0.688 25919 8599 1 14 . 1 1 41 41 GLU CA C 41 56.365 56.365 56.008 0.357 25919 8600 1 14 . 1 1 41 41 GLU CB C 41 31.077 31.077 30.247 0.830 25919 8601 1 14 . 1 1 41 41 GLU H H 41 7.464 7.464 6.918 0.546 25919 8602 1 14 . 1 1 42 42 LYS N N 42 124.405 124.405 127.147 -2.742 25919 8603 1 14 . 1 1 42 42 LYS HA H 42 4.669 4.669 4.414 0.255 25919 8604 1 14 . 1 1 42 42 LYS C C 42 177.170 177.170 176.394 0.776 25919 8605 1 14 . 1 1 42 42 LYS CA C 42 55.750 55.750 55.541 0.208 25919 8606 1 14 . 1 1 42 42 LYS CB C 42 34.929 34.929 31.284 3.645 25919 8607 1 14 . 1 1 42 42 LYS H H 42 8.895 8.895 8.386 0.509 25919 8608 1 14 . 1 1 43 43 GLN N N 43 119.903 119.903 117.650 2.253 25919 8609 1 14 . 1 1 43 43 GLN HA H 43 4.541 4.541 4.097 0.444 25919 8610 1 14 . 1 1 43 43 GLN C C 43 177.260 177.260 176.721 0.539 25919 8611 1 14 . 1 1 43 43 GLN CA C 43 57.566 57.566 57.053 0.513 25919 8612 1 14 . 1 1 43 43 GLN CB C 43 30.620 30.620 29.192 1.427 25919 8613 1 14 . 1 1 43 43 GLN H H 43 8.459 8.459 7.673 0.786 25919 8614 1 14 . 1 1 44 44 LEU N N 44 121.272 121.272 120.483 0.789 25919 8615 1 14 . 1 1 44 44 LEU HA H 44 4.726 4.726 4.645 0.081 25919 8616 1 14 . 1 1 44 44 LEU CA C 44 53.165 53.165 52.987 0.178 25919 8617 1 14 . 1 1 44 44 LEU CB C 44 43.444 43.444 41.471 1.973 25919 8618 1 14 . 1 1 44 44 LEU H H 44 9.002 9.002 8.140 0.862 25919 8619 1 14 . 1 1 45 45 PRO HA H 45 4.722 4.722 4.474 0.248 25919 8620 1 14 . 1 1 45 45 PRO CA C 45 62.169 62.169 62.676 -0.507 25919 8621 1 14 . 1 1 45 45 PRO CB C 45 32.722 32.722 32.471 0.251 25919 8622 1 14 . 1 1 46 46 VAL N N 46 118.403 118.403 115.440 2.963 25919 8623 1 14 . 1 1 46 46 VAL HA H 46 4.009 4.009 4.181 -0.172 25919 8624 1 14 . 1 1 46 46 VAL C C 46 173.416 173.416 175.501 -2.085 25919 8625 1 14 . 1 1 46 46 VAL CA C 46 62.413 62.413 63.135 -0.722 25919 8626 1 14 . 1 1 46 46 VAL CB C 46 33.087 33.087 30.767 2.321 25919 8627 1 14 . 1 1 46 46 VAL H H 46 8.349 8.349 8.420 -0.071 25919 8628 1 14 . 1 1 47 47 LEU N N 47 128.653 128.653 119.332 9.321 25919 8629 1 14 . 1 1 47 47 LEU HA H 47 4.452 4.452 4.272 0.180 25919 8630 1 14 . 1 1 47 47 LEU CA C 47 54.758 54.758 55.189 -0.431 25919 8631 1 14 . 1 1 47 47 LEU CB C 47 44.076 44.076 41.481 2.595 25919 8632 1 14 . 1 1 47 47 LEU H H 47 8.064 8.064 7.433 0.631 25919 8633 1 14 . 1 1 48 48 ASP N N 48 121.042 121.042 120.734 0.308 25919 8634 1 14 . 1 1 48 48 ASP HA H 48 4.347 4.347 4.614 -0.267 25919 8635 1 14 . 1 1 48 48 ASP CA C 48 55.600 55.600 54.748 0.852 25919 8636 1 14 . 1 1 48 48 ASP CB C 48 40.407 40.407 40.801 -0.394 25919 8637 1 14 . 1 1 48 48 ASP H H 48 8.649 8.649 8.233 0.416 25919 8638 1 14 . 1 1 49 49 LYS N N 49 118.877 118.877 127.330 -8.453 25919 8639 1 14 . 1 1 49 49 LYS HA H 49 4.541 4.541 4.027 0.514 25919 8640 1 14 . 1 1 49 49 LYS C C 49 179.744 179.744 177.648 2.096 25919 8641 1 14 . 1 1 49 49 LYS CA C 49 54.099 54.099 57.599 -3.500 25919 8642 1 14 . 1 1 49 49 LYS CB C 49 35.378 35.378 32.106 3.272 25919 8643 1 14 . 1 1 49 49 LYS H H 49 7.287 7.287 8.475 -1.188 25919 8644 1 14 . 1 1 50 50 THR N N 50 114.691 114.691 108.900 5.791 25919 8645 1 14 . 1 1 50 50 THR HA H 50 4.628 4.628 4.181 0.447 25919 8646 1 14 . 1 1 50 50 THR CA C 50 63.920 63.920 65.286 -1.366 25919 8647 1 14 . 1 1 50 50 THR CB C 50 71.365 71.365 67.792 3.573 25919 8648 1 14 . 1 1 50 50 THR H H 50 8.064 8.064 8.834 -0.770 25919 8649 1 14 . 1 1 51 51 LYS N N 51 120.273 120.273 120.905 -0.632 25919 8650 1 14 . 1 1 51 51 LYS HA H 51 4.570 4.570 4.911 -0.341 25919 8651 1 14 . 1 1 51 51 LYS CA C 51 54.997 54.997 55.048 -0.051 25919 8652 1 14 . 1 1 51 51 LYS CB C 51 32.700 32.700 36.330 -3.630 25919 8653 1 14 . 1 1 51 51 LYS H H 51 7.192 7.192 7.351 -0.159 25919 8654 1 14 . 1 1 52 52 PHE N N 52 121.816 121.816 120.026 1.790 25919 8655 1 14 . 1 1 52 52 PHE HA H 52 5.503 5.503 4.726 0.777 25919 8656 1 14 . 1 1 52 52 PHE CA C 52 56.104 56.104 57.119 -1.015 25919 8657 1 14 . 1 1 52 52 PHE CB C 52 43.188 43.188 43.843 -0.655 25919 8658 1 14 . 1 1 52 52 PHE H H 52 9.466 9.466 8.916 0.550 25919 8659 1 14 . 1 1 53 53 LEU N N 53 120.846 120.846 123.119 -2.273 25919 8660 1 14 . 1 1 53 53 LEU HA H 53 5.135 5.135 5.101 0.034 25919 8661 1 14 . 1 1 53 53 LEU C C 53 175.042 175.042 175.235 -0.193 25919 8662 1 14 . 1 1 53 53 LEU CA C 53 52.916 52.916 53.511 -0.595 25919 8663 1 14 . 1 1 53 53 LEU CB C 53 45.242 45.242 45.708 -0.466 25919 8664 1 14 . 1 1 53 53 LEU H H 53 8.608 8.608 8.531 0.077 25919 8665 1 14 . 1 1 54 54 VAL N N 54 123.773 123.773 122.835 0.938 25919 8666 1 14 . 1 1 54 54 VAL HA H 54 4.755 4.755 4.531 0.224 25919 8667 1 14 . 1 1 54 54 VAL CA C 54 58.622 58.622 58.370 0.252 25919 8668 1 14 . 1 1 54 54 VAL CB C 54 35.150 35.150 35.110 0.040 25919 8669 1 14 . 1 1 54 54 VAL H H 54 8.801 8.801 8.557 0.244 25919 8670 1 14 . 1 1 55 55 PRO HA H 55 4.435 4.435 4.653 -0.218 25919 8671 1 14 . 1 1 55 55 PRO C C 55 176.427 176.427 178.156 -1.729 25919 8672 1 14 . 1 1 55 55 PRO CA C 55 64.298 64.298 62.946 1.352 25919 8673 1 14 . 1 1 55 55 PRO CB C 55 32.822 32.822 32.065 0.757 25919 8674 1 14 . 1 1 56 56 ASP N N 56 121.214 121.214 124.732 -3.518 25919 8675 1 14 . 1 1 56 56 ASP HA H 56 3.880 3.880 4.311 -0.431 25919 8676 1 14 . 1 1 56 56 ASP CA C 56 56.742 56.742 57.554 -0.812 25919 8677 1 14 . 1 1 56 56 ASP CB C 56 40.481 40.481 40.260 0.221 25919 8678 1 14 . 1 1 56 56 ASP H H 56 8.336 8.336 8.743 -0.407 25919 8679 1 14 . 1 1 57 57 HIS N N 57 114.277 114.277 117.663 -3.386 25919 8680 1 14 . 1 1 57 57 HIS HA H 57 4.772 4.772 4.525 0.247 25919 8681 1 14 . 1 1 57 57 HIS C C 57 174.806 174.806 176.225 -1.419 25919 8682 1 14 . 1 1 57 57 HIS CA C 57 55.688 55.688 57.574 -1.885 25919 8683 1 14 . 1 1 57 57 HIS CB C 57 30.450 30.450 29.678 0.772 25919 8684 1 14 . 1 1 57 57 HIS H H 57 7.464 7.464 8.488 -1.024 25919 8685 1 14 . 1 1 58 58 VAL N N 58 123.531 123.531 122.035 1.496 25919 8686 1 14 . 1 1 58 58 VAL HA H 58 3.909 3.909 3.983 -0.074 25919 8687 1 14 . 1 1 58 58 VAL C C 58 177.148 177.148 175.402 1.746 25919 8688 1 14 . 1 1 58 58 VAL CA C 58 62.900 62.900 63.361 -0.461 25919 8689 1 14 . 1 1 58 58 VAL CB C 58 32.320 32.320 31.715 0.605 25919 8690 1 14 . 1 1 58 58 VAL H H 58 7.261 7.261 7.806 -0.545 25919 8691 1 14 . 1 1 59 59 ASN N N 59 124.147 124.147 124.984 -0.837 25919 8692 1 14 . 1 1 59 59 ASN HA H 59 5.174 5.174 4.976 0.198 25919 8693 1 14 . 1 1 59 59 ASN C C 59 175.176 175.176 176.344 -1.168 25919 8694 1 14 . 1 1 59 59 ASN CA C 59 51.374 51.374 52.724 -1.350 25919 8695 1 14 . 1 1 59 59 ASN CB C 59 40.038 40.038 39.279 0.759 25919 8696 1 14 . 1 1 59 59 ASN H H 59 8.819 8.819 9.001 -0.182 25919 8697 1 14 . 1 1 60 60 MET N N 60 117.583 117.583 123.152 -5.569 25919 8698 1 14 . 1 1 60 60 MET HA H 60 4.425 4.425 4.161 0.264 25919 8699 1 14 . 1 1 60 60 MET CA C 60 57.271 57.271 58.279 -1.008 25919 8700 1 14 . 1 1 60 60 MET CB C 60 30.063 30.063 32.746 -2.683 25919 8701 1 14 . 1 1 60 60 MET H H 60 8.023 8.023 8.936 -0.913 25919 8702 1 14 . 1 1 61 61 SER N N 61 115.027 115.027 114.973 0.054 25919 8703 1 14 . 1 1 61 61 SER HA H 61 4.138 4.138 4.126 0.012 25919 8704 1 14 . 1 1 61 61 SER C C 61 178.809 178.809 176.737 2.072 25919 8705 1 14 . 1 1 61 61 SER CA C 61 61.553 61.553 61.553 -0.000 25919 8706 1 14 . 1 1 61 61 SER CB C 61 62.581 62.581 62.538 0.043 25919 8707 1 14 . 1 1 61 61 SER H H 61 8.350 8.350 8.312 0.038 25919 8708 1 14 . 1 1 62 62 GLU N N 62 123.657 123.657 123.405 0.252 25919 8709 1 14 . 1 1 62 62 GLU HA H 62 3.979 3.979 4.099 -0.120 25919 8710 1 14 . 1 1 62 62 GLU C C 62 176.456 176.456 178.462 -2.006 25919 8711 1 14 . 1 1 62 62 GLU CA C 62 58.726 58.726 58.813 -0.087 25919 8712 1 14 . 1 1 62 62 GLU CB C 62 29.700 29.700 29.625 0.075 25919 8713 1 14 . 1 1 62 62 GLU H H 62 7.994 7.994 7.869 0.125 25919 8714 1 14 . 1 1 63 63 LEU N N 63 121.225 121.225 121.477 -0.252 25919 8715 1 14 . 1 1 63 63 LEU HA H 63 3.949 3.949 3.920 0.029 25919 8716 1 14 . 1 1 63 63 LEU C C 63 178.113 178.113 178.575 -0.462 25919 8717 1 14 . 1 1 63 63 LEU CA C 63 57.860 57.860 58.047 -0.187 25919 8718 1 14 . 1 1 63 63 LEU CB C 63 41.526 41.526 41.850 -0.324 25919 8719 1 14 . 1 1 63 63 LEU H H 63 8.223 8.223 8.189 0.034 25919 8720 1 14 . 1 1 64 64 ILE N N 64 119.273 119.273 119.417 -0.144 25919 8721 1 14 . 1 1 64 64 ILE HA H 64 3.375 3.375 3.536 -0.161 25919 8722 1 14 . 1 1 64 64 ILE CA C 64 66.723 66.723 65.944 0.779 25919 8723 1 14 . 1 1 64 64 ILE CB C 64 38.161 38.161 37.569 0.592 25919 8724 1 14 . 1 1 64 64 ILE H H 64 8.301 8.301 8.166 0.135 25919 8725 1 14 . 1 1 65 65 LYS N N 65 119.143 119.143 120.384 -1.241 25919 8726 1 14 . 1 1 65 65 LYS HA H 65 3.703 3.703 3.989 -0.286 25919 8727 1 14 . 1 1 65 65 LYS C C 65 173.869 173.869 178.993 -5.124 25919 8728 1 14 . 1 1 65 65 LYS CA C 65 60.451 60.451 59.800 0.651 25919 8729 1 14 . 1 1 65 65 LYS CB C 65 32.300 32.300 32.477 -0.177 25919 8730 1 14 . 1 1 65 65 LYS H H 65 7.300 7.300 7.937 -0.637 25919 8731 1 14 . 1 1 66 66 ILE N N 66 120.527 120.527 121.133 -0.606 25919 8732 1 14 . 1 1 66 66 ILE HA H 66 3.541 3.541 3.762 -0.221 25919 8733 1 14 . 1 1 66 66 ILE C C 66 176.459 176.459 177.597 -1.138 25919 8734 1 14 . 1 1 66 66 ILE CA C 66 65.290 65.290 63.869 1.421 25919 8735 1 14 . 1 1 66 66 ILE CB C 66 38.254 38.254 37.568 0.686 25919 8736 1 14 . 1 1 66 66 ILE H H 66 8.048 8.048 7.642 0.406 25919 8737 1 14 . 1 1 67 67 ILE N N 67 121.527 121.527 121.908 -0.381 25919 8738 1 14 . 1 1 67 67 ILE HA H 67 3.336 3.336 3.487 -0.151 25919 8739 1 14 . 1 1 67 67 ILE C C 67 178.102 178.102 177.577 0.525 25919 8740 1 14 . 1 1 67 67 ILE CA C 67 63.952 63.952 64.422 -0.470 25919 8741 1 14 . 1 1 67 67 ILE CB C 67 35.891 35.891 37.114 -1.222 25919 8742 1 14 . 1 1 67 67 ILE H H 67 8.308 8.308 8.138 0.170 25919 8743 1 14 . 1 1 68 68 ARG N N 68 119.384 119.384 119.360 0.024 25919 8744 1 14 . 1 1 68 68 ARG HA H 68 2.970 2.970 3.178 -0.208 25919 8745 1 14 . 1 1 68 68 ARG C C 68 172.723 172.723 178.046 -5.323 25919 8746 1 14 . 1 1 68 68 ARG CA C 68 60.704 60.704 59.672 1.032 25919 8747 1 14 . 1 1 68 68 ARG CB C 68 30.320 30.320 29.701 0.619 25919 8748 1 14 . 1 1 68 68 ARG H H 68 8.336 8.336 8.277 0.059 25919 8749 1 14 . 1 1 69 69 ARG N N 69 117.648 117.648 118.463 -0.815 25919 8750 1 14 . 1 1 69 69 ARG HA H 69 4.138 4.138 3.947 0.191 25919 8751 1 14 . 1 1 69 69 ARG C C 69 172.480 172.480 179.303 -6.823 25919 8752 1 14 . 1 1 69 69 ARG CA C 69 58.645 58.645 59.215 -0.570 25919 8753 1 14 . 1 1 69 69 ARG CB C 69 29.779 29.779 30.012 -0.234 25919 8754 1 14 . 1 1 69 69 ARG H H 69 7.432 7.432 7.869 -0.437 25919 8755 1 14 . 1 1 70 70 ARG N N 70 124.006 124.006 118.954 5.052 25919 8756 1 14 . 1 1 70 70 ARG HA H 70 4.074 4.074 4.073 0.001 25919 8757 1 14 . 1 1 70 70 ARG C C 70 178.799 178.799 178.214 0.585 25919 8758 1 14 . 1 1 70 70 ARG CA C 70 58.385 58.385 58.264 0.121 25919 8759 1 14 . 1 1 70 70 ARG CB C 70 30.043 30.043 30.017 0.026 25919 8760 1 14 . 1 1 70 70 ARG H H 70 8.212 8.212 8.298 -0.086 25919 8761 1 14 . 1 1 71 71 LEU N N 71 117.764 117.764 116.938 0.826 25919 8762 1 14 . 1 1 71 71 LEU HA H 71 4.085 4.085 4.201 -0.116 25919 8763 1 14 . 1 1 71 71 LEU CA C 71 55.063 55.063 54.785 0.278 25919 8764 1 14 . 1 1 71 71 LEU CB C 71 43.100 43.100 41.579 1.521 25919 8765 1 14 . 1 1 71 71 LEU H H 71 7.750 7.750 7.883 -0.133 25919 8766 1 14 . 1 1 72 72 GLN N N 72 115.522 115.522 112.578 2.944 25919 8767 1 14 . 1 1 72 72 GLN HA H 72 3.839 3.839 3.906 -0.067 25919 8768 1 14 . 1 1 72 72 GLN C C 72 175.744 175.744 175.443 0.301 25919 8769 1 14 . 1 1 72 72 GLN CA C 72 56.409 56.409 56.583 -0.174 25919 8770 1 14 . 1 1 72 72 GLN CB C 72 25.959 25.959 25.994 -0.035 25919 8771 1 14 . 1 1 72 72 GLN H H 72 7.751 7.751 7.650 0.101 25919 8772 1 14 . 1 1 73 73 LEU N N 73 115.900 115.900 119.780 -3.880 25919 8773 1 14 . 1 1 73 73 LEU HA H 73 4.254 4.254 4.453 -0.199 25919 8774 1 14 . 1 1 73 73 LEU C C 73 178.568 178.568 177.202 1.366 25919 8775 1 14 . 1 1 73 73 LEU CA C 73 54.468 54.468 53.943 0.525 25919 8776 1 14 . 1 1 73 73 LEU CB C 73 42.050 42.050 40.899 1.151 25919 8777 1 14 . 1 1 73 73 LEU H H 73 7.573 7.573 7.736 -0.163 25919 8778 1 14 . 1 1 74 74 ASN N N 74 122.154 122.154 125.070 -2.916 25919 8779 1 14 . 1 1 74 74 ASN HA H 74 4.684 4.684 4.544 0.140 25919 8780 1 14 . 1 1 74 74 ASN C C 74 174.122 174.122 176.485 -2.363 25919 8781 1 14 . 1 1 74 74 ASN CA C 74 52.724 52.724 53.796 -1.072 25919 8782 1 14 . 1 1 74 74 ASN CB C 74 39.579 39.579 40.792 -1.213 25919 8783 1 14 . 1 1 74 74 ASN H H 74 8.949 8.949 8.146 0.803 25919 8784 1 14 . 1 1 75 75 ALA N N 75 124.274 124.274 125.539 -1.265 25919 8785 1 14 . 1 1 75 75 ALA HA H 75 3.972 3.972 4.058 -0.086 25919 8786 1 14 . 1 1 75 75 ALA C C 75 178.113 178.113 178.383 -0.270 25919 8787 1 14 . 1 1 75 75 ALA CA C 75 54.900 54.900 54.470 0.430 25919 8788 1 14 . 1 1 75 75 ALA CB C 75 18.708 18.708 18.623 0.085 25919 8789 1 14 . 1 1 75 75 ALA H H 75 8.690 8.690 8.665 0.025 25919 8790 1 14 . 1 1 76 76 ASN N N 76 112.911 112.911 116.533 -3.622 25919 8791 1 14 . 1 1 76 76 ASN HA H 76 4.589 4.589 4.537 0.052 25919 8792 1 14 . 1 1 76 76 ASN C C 76 175.515 175.515 175.639 -0.124 25919 8793 1 14 . 1 1 76 76 ASN CA C 76 53.276 53.276 54.720 -1.444 25919 8794 1 14 . 1 1 76 76 ASN CB C 76 38.343 38.343 39.328 -0.985 25919 8795 1 14 . 1 1 76 76 ASN H H 76 8.340 8.340 8.440 -0.100 25919 8796 1 14 . 1 1 77 77 GLN N N 77 121.144 121.144 118.338 2.806 25919 8797 1 14 . 1 1 77 77 GLN HA H 77 4.287 4.287 4.630 -0.343 25919 8798 1 14 . 1 1 77 77 GLN C C 77 175.053 175.053 174.735 0.318 25919 8799 1 14 . 1 1 77 77 GLN CA C 77 55.856 55.856 54.480 1.376 25919 8800 1 14 . 1 1 77 77 GLN CB C 77 30.320 30.320 30.550 -0.230 25919 8801 1 14 . 1 1 77 77 GLN H H 77 7.546 7.546 7.656 -0.110 25919 8802 1 14 . 1 1 78 78 ALA N N 78 131.146 131.146 125.790 5.356 25919 8803 1 14 . 1 1 78 78 ALA HA H 78 4.179 4.179 4.388 -0.209 25919 8804 1 14 . 1 1 78 78 ALA C C 78 176.453 176.453 176.377 0.076 25919 8805 1 14 . 1 1 78 78 ALA CA C 78 52.852 52.852 52.218 0.634 25919 8806 1 14 . 1 1 78 78 ALA CB C 78 20.074 20.074 19.643 0.431 25919 8807 1 14 . 1 1 78 78 ALA H H 78 8.730 8.730 8.580 0.150 25919 8808 1 14 . 1 1 79 79 PHE N N 79 119.860 119.860 123.763 -3.903 25919 8809 1 14 . 1 1 79 79 PHE HA H 79 4.453 4.453 5.312 -0.859 25919 8810 1 14 . 1 1 79 79 PHE C C 79 171.834 171.834 172.657 -0.823 25919 8811 1 14 . 1 1 79 79 PHE CA C 79 59.115 59.115 57.023 2.092 25919 8812 1 14 . 1 1 79 79 PHE CB C 79 42.246 42.246 42.516 -0.270 25919 8813 1 14 . 1 1 79 79 PHE H H 79 7.601 7.601 7.890 -0.289 25919 8814 1 14 . 1 1 80 80 PHE N N 80 126.800 126.800 123.043 3.757 25919 8815 1 14 . 1 1 80 80 PHE HA H 80 4.396 4.396 4.413 -0.017 25919 8816 1 14 . 1 1 80 80 PHE C C 80 173.169 173.169 172.879 0.290 25919 8817 1 14 . 1 1 80 80 PHE CA C 80 56.859 56.859 56.504 0.355 25919 8818 1 14 . 1 1 80 80 PHE CB C 80 41.946 41.946 43.138 -1.192 25919 8819 1 14 . 1 1 80 80 PHE H H 80 8.504 8.504 8.749 -0.245 25919 8820 1 14 . 1 1 81 81 LEU N N 81 122.590 122.590 124.440 -1.850 25919 8821 1 14 . 1 1 81 81 LEU HA H 81 4.902 4.902 4.783 0.119 25919 8822 1 14 . 1 1 81 81 LEU CA C 81 53.108 53.108 54.035 -0.927 25919 8823 1 14 . 1 1 81 81 LEU CB C 81 45.781 45.781 43.475 2.306 25919 8824 1 14 . 1 1 81 81 LEU H H 81 8.159 8.159 8.497 -0.338 25919 8825 1 14 . 1 1 82 82 LEU N N 82 126.414 126.414 127.746 -1.332 25919 8826 1 14 . 1 1 82 82 LEU HA H 82 4.807 4.807 4.858 -0.051 25919 8827 1 14 . 1 1 82 82 LEU C C 82 174.204 174.204 176.279 -2.075 25919 8828 1 14 . 1 1 82 82 LEU CA C 82 54.200 54.200 53.480 0.720 25919 8829 1 14 . 1 1 82 82 LEU CB C 82 43.650 43.650 41.984 1.666 25919 8830 1 14 . 1 1 82 82 LEU H H 82 9.347 9.347 9.256 0.091 25919 8831 1 14 . 1 1 83 83 VAL N N 83 123.910 123.910 125.285 -1.375 25919 8832 1 14 . 1 1 83 83 VAL HA H 83 4.466 4.466 4.217 0.249 25919 8833 1 14 . 1 1 83 83 VAL C C 83 175.891 175.891 176.839 -0.948 25919 8834 1 14 . 1 1 83 83 VAL CA C 83 61.339 61.339 63.102 -1.763 25919 8835 1 14 . 1 1 83 83 VAL CB C 83 34.013 34.013 32.192 1.821 25919 8836 1 14 . 1 1 83 83 VAL H H 83 8.676 8.676 8.631 0.045 25919 8837 1 14 . 1 1 84 84 ASN N N 84 127.149 127.149 127.021 0.128 25919 8838 1 14 . 1 1 84 84 ASN HA H 84 4.384 4.384 4.461 -0.077 25919 8839 1 14 . 1 1 84 84 ASN CA C 84 54.494 54.494 54.149 0.345 25919 8840 1 14 . 1 1 84 84 ASN CB C 84 37.933 37.933 37.607 0.326 25919 8841 1 14 . 1 1 84 84 ASN H H 84 9.630 9.630 9.327 0.303 25919 8842 1 14 . 1 1 85 85 GLY N N 85 101.905 101.905 103.138 -1.233 25919 8843 1 14 . 1 1 85 85 GLY C C 85 175.112 175.112 173.691 1.421 25919 8844 1 14 . 1 1 85 85 GLY CA C 85 45.624 45.624 45.869 -0.245 25919 8845 1 14 . 1 1 85 85 GLY H H 85 8.670 8.670 8.342 0.328 25919 8846 1 14 . 1 1 86 86 HIS N N 86 117.905 117.905 118.342 -0.437 25919 8847 1 14 . 1 1 86 86 HIS HA H 86 5.039 5.039 4.937 0.102 25919 8848 1 14 . 1 1 86 86 HIS CA C 86 53.890 53.890 54.481 -0.591 25919 8849 1 14 . 1 1 86 86 HIS CB C 86 30.888 30.888 32.557 -1.669 25919 8850 1 14 . 1 1 86 86 HIS H H 86 7.927 7.927 7.912 0.015 25919 8851 1 14 . 1 1 87 87 SER N N 87 118.646 118.646 118.053 0.593 25919 8852 1 14 . 1 1 87 87 SER HA H 87 4.397 4.397 4.506 -0.109 25919 8853 1 14 . 1 1 87 87 SER C C 87 175.275 175.275 174.935 0.340 25919 8854 1 14 . 1 1 87 87 SER CA C 87 58.414 58.414 59.061 -0.647 25919 8855 1 14 . 1 1 87 87 SER CB C 87 63.772 63.772 63.461 0.311 25919 8856 1 14 . 1 1 87 87 SER H H 87 8.927 8.927 9.366 -0.439 25919 8857 1 14 . 1 1 88 88 MET N N 88 126.013 126.013 126.705 -0.692 25919 8858 1 14 . 1 1 88 88 MET HA H 88 4.851 4.851 4.810 0.041 25919 8859 1 14 . 1 1 88 88 MET C C 88 178.796 178.796 177.094 1.702 25919 8860 1 14 . 1 1 88 88 MET CA C 88 54.727 54.727 54.040 0.687 25919 8861 1 14 . 1 1 88 88 MET CB C 88 33.309 33.309 32.410 0.899 25919 8862 1 14 . 1 1 88 88 MET H H 88 9.088 9.088 8.759 0.329 25919 8863 1 14 . 1 1 89 89 VAL N N 89 121.153 121.153 123.122 -1.969 25919 8864 1 14 . 1 1 89 89 VAL HA H 89 4.057 4.057 3.649 0.408 25919 8865 1 14 . 1 1 89 89 VAL C C 89 176.695 176.695 176.228 0.467 25919 8866 1 14 . 1 1 89 89 VAL CA C 89 63.592 63.592 66.192 -2.600 25919 8867 1 14 . 1 1 89 89 VAL CB C 89 32.422 32.422 32.083 0.339 25919 8868 1 14 . 1 1 89 89 VAL H H 89 8.144 8.144 7.464 0.680 25919 8869 1 14 . 1 1 90 90 SER N N 90 116.778 116.778 112.252 4.526 25919 8870 1 14 . 1 1 90 90 SER HA H 90 4.561 4.561 4.525 0.036 25919 8871 1 14 . 1 1 90 90 SER C C 90 173.898 173.898 173.676 0.222 25919 8872 1 14 . 1 1 90 90 SER CA C 90 57.895 57.895 57.962 -0.067 25919 8873 1 14 . 1 1 90 90 SER CB C 90 63.133 63.133 63.330 -0.197 25919 8874 1 14 . 1 1 90 90 SER H H 90 8.322 8.322 8.101 0.221 25919 8875 1 14 . 1 1 91 91 VAL N N 91 120.735 120.735 123.846 -3.111 25919 8876 1 14 . 1 1 91 91 VAL HA H 91 4.286 4.286 4.051 0.235 25919 8877 1 14 . 1 1 91 91 VAL CA C 91 62.846 62.846 62.633 0.213 25919 8878 1 14 . 1 1 91 91 VAL CB C 91 32.069 32.069 31.827 0.242 25919 8879 1 14 . 1 1 91 91 VAL H H 91 8.036 8.036 7.537 0.499 25919 8880 1 14 . 1 1 92 92 SER N N 92 118.146 118.146 122.999 -4.853 25919 8881 1 14 . 1 1 92 92 SER HA H 92 4.549 4.549 4.454 0.095 25919 8882 1 14 . 1 1 92 92 SER CA C 92 57.813 57.813 58.909 -1.096 25919 8883 1 14 . 1 1 92 92 SER CB C 92 63.488 63.488 63.235 0.253 25919 8884 1 14 . 1 1 92 92 SER H H 92 8.470 8.470 8.713 -0.243 25919 8885 1 14 . 1 1 93 93 THR N N 93 119.747 119.747 120.022 -0.275 25919 8886 1 14 . 1 1 93 93 THR HA H 93 4.467 4.467 4.366 0.101 25919 8887 1 14 . 1 1 93 93 THR CA C 93 61.005 61.005 62.051 -1.046 25919 8888 1 14 . 1 1 93 93 THR CB C 93 70.592 70.592 68.275 2.317 25919 8889 1 14 . 1 1 93 93 THR H H 93 7.382 7.382 7.725 -0.343 25919 8890 1 14 . 1 1 94 94 PRO HA H 94 4.424 4.424 4.466 -0.042 25919 8891 1 14 . 1 1 94 94 PRO CA C 94 63.060 63.060 63.317 -0.257 25919 8892 1 14 . 1 1 94 94 PRO CB C 94 32.798 32.798 32.239 0.559 25919 8893 1 14 . 1 1 95 95 ILE N N 95 124.894 124.894 124.758 0.136 25919 8894 1 14 . 1 1 95 95 ILE HA H 95 3.984 3.984 3.864 0.120 25919 8895 1 14 . 1 1 95 95 ILE CA C 95 63.963 63.963 63.012 0.951 25919 8896 1 14 . 1 1 95 95 ILE CB C 95 38.200 38.200 37.920 0.280 25919 8897 1 14 . 1 1 95 95 ILE H H 95 9.358 9.358 8.800 0.558 25919 8898 1 14 . 1 1 96 96 SER N N 96 117.523 117.523 115.160 2.363 25919 8899 1 14 . 1 1 96 96 SER HA H 96 4.004 4.004 4.305 -0.301 25919 8900 1 14 . 1 1 96 96 SER CA C 96 61.700 61.700 61.808 -0.108 25919 8901 1 14 . 1 1 96 96 SER CB C 96 61.400 61.400 62.786 -1.386 25919 8902 1 14 . 1 1 96 96 SER H H 96 8.202 8.202 7.947 0.255 25919 8903 1 14 . 1 1 97 97 GLU N N 97 123.657 123.657 122.950 0.707 25919 8904 1 14 . 1 1 97 97 GLU HA H 97 4.282 4.282 4.169 0.113 25919 8905 1 14 . 1 1 97 97 GLU CA C 97 58.700 58.700 58.618 0.082 25919 8906 1 14 . 1 1 97 97 GLU CB C 97 29.800 29.800 29.255 0.545 25919 8907 1 14 . 1 1 97 97 GLU H H 97 7.301 7.301 7.677 -0.376 25919 8908 1 14 . 1 1 98 98 VAL N N 98 121.907 121.907 120.320 1.587 25919 8909 1 14 . 1 1 98 98 VAL HA H 98 3.797 3.797 3.578 0.219 25919 8910 1 14 . 1 1 98 98 VAL CA C 98 65.949 65.949 66.920 -0.971 25919 8911 1 14 . 1 1 98 98 VAL CB C 98 32.186 32.186 31.679 0.507 25919 8912 1 14 . 1 1 98 98 VAL H H 98 7.410 7.410 7.805 -0.395 25919 8913 1 14 . 1 1 99 99 TYR N N 99 119.526 119.526 120.989 -1.463 25919 8914 1 14 . 1 1 99 99 TYR HA H 99 4.016 4.016 4.058 -0.042 25919 8915 1 14 . 1 1 99 99 TYR C C 99 175.741 175.741 177.195 -1.454 25919 8916 1 14 . 1 1 99 99 TYR CA C 99 62.229 62.229 61.274 0.955 25919 8917 1 14 . 1 1 99 99 TYR CB C 99 38.967 38.967 38.371 0.596 25919 8918 1 14 . 1 1 99 99 TYR H H 99 9.071 9.071 8.429 0.642 25919 8919 1 14 . 1 1 100 100 GLU N N 100 114.405 114.405 117.866 -3.461 25919 8920 1 14 . 1 1 100 100 GLU HA H 100 3.850 3.850 3.556 0.294 25919 8921 1 14 . 1 1 100 100 GLU C C 100 178.094 178.094 178.433 -0.339 25919 8922 1 14 . 1 1 100 100 GLU CA C 100 58.920 58.920 58.145 0.775 25919 8923 1 14 . 1 1 100 100 GLU CB C 100 29.481 29.481 29.605 -0.124 25919 8924 1 14 . 1 1 100 100 GLU H H 100 7.342 7.342 7.989 -0.647 25919 8925 1 14 . 1 1 101 101 SER N N 101 109.656 109.656 114.359 -4.703 25919 8926 1 14 . 1 1 101 101 SER HA H 101 4.529 4.529 4.277 0.252 25919 8927 1 14 . 1 1 101 101 SER C C 101 176.681 176.681 175.963 0.718 25919 8928 1 14 . 1 1 101 101 SER CA C 101 60.313 60.313 60.533 -0.220 25919 8929 1 14 . 1 1 101 101 SER CB C 101 64.703 64.703 63.287 1.416 25919 8930 1 14 . 1 1 101 101 SER H H 101 7.410 7.410 7.719 -0.309 25919 8931 1 14 . 1 1 102 102 GLU N N 102 117.283 117.283 119.702 -2.419 25919 8932 1 14 . 1 1 102 102 GLU HA H 102 4.721 4.721 4.549 0.172 25919 8933 1 14 . 1 1 102 102 GLU CA C 102 55.592 55.592 54.775 0.817 25919 8934 1 14 . 1 1 102 102 GLU CB C 102 30.564 30.564 29.145 1.419 25919 8935 1 14 . 1 1 102 102 GLU H H 102 8.500 8.500 7.897 0.603 25919 8936 1 14 . 1 1 103 103 LYS N N 103 118.772 118.772 120.381 -1.609 25919 8937 1 14 . 1 1 103 103 LYS HA H 103 4.179 4.179 4.144 0.035 25919 8938 1 14 . 1 1 103 103 LYS C C 103 175.032 175.032 175.438 -0.406 25919 8939 1 14 . 1 1 103 103 LYS CA C 103 57.154 57.154 56.965 0.189 25919 8940 1 14 . 1 1 103 103 LYS CB C 103 32.238 32.238 32.623 -0.385 25919 8941 1 14 . 1 1 103 103 LYS H H 103 7.777 7.777 7.563 0.214 25919 8942 1 14 . 1 1 104 104 ASP N N 104 124.024 124.024 125.955 -1.931 25919 8943 1 14 . 1 1 104 104 ASP HA H 104 5.032 5.032 4.831 0.201 25919 8944 1 14 . 1 1 104 104 ASP C C 104 177.548 177.548 177.141 0.407 25919 8945 1 14 . 1 1 104 104 ASP CA C 104 53.882 53.882 53.060 0.822 25919 8946 1 14 . 1 1 104 104 ASP CB C 104 43.420 43.420 42.839 0.581 25919 8947 1 14 . 1 1 104 104 ASP H H 104 9.030 9.030 8.343 0.687 25919 8948 1 14 . 1 1 105 105 GLU N N 105 125.669 125.669 121.227 4.442 25919 8949 1 14 . 1 1 105 105 GLU HA H 105 4.179 4.179 4.198 -0.019 25919 8950 1 14 . 1 1 105 105 GLU CA C 105 59.526 59.526 59.077 0.449 25919 8951 1 14 . 1 1 105 105 GLU CB C 105 30.036 30.036 29.644 0.392 25919 8952 1 14 . 1 1 105 105 GLU H H 105 8.894 8.894 8.985 -0.091 25919 8953 1 14 . 1 1 106 106 ASP N N 106 119.257 119.257 115.864 3.393 25919 8954 1 14 . 1 1 106 106 ASP HA H 106 4.180 4.180 4.459 -0.279 25919 8955 1 14 . 1 1 106 106 ASP C C 106 176.018 176.018 176.329 -0.311 25919 8956 1 14 . 1 1 106 106 ASP CA C 106 54.750 54.750 53.671 1.079 25919 8957 1 14 . 1 1 106 106 ASP CB C 106 40.250 40.250 39.975 0.275 25919 8958 1 14 . 1 1 106 106 ASP H H 106 9.838 9.838 8.345 1.493 25919 8959 1 14 . 1 1 107 107 GLY N N 107 106.307 106.307 107.999 -1.692 25919 8960 1 14 . 1 1 107 107 GLY CA C 107 45.125 45.125 44.814 0.311 25919 8961 1 14 . 1 1 107 107 GLY H H 107 7.945 7.945 7.695 0.250 25919 8962 1 14 . 1 1 108 108 PHE N N 108 124.389 124.389 119.206 5.183 25919 8963 1 14 . 1 1 108 108 PHE HA H 108 4.670 4.670 4.146 0.524 25919 8964 1 14 . 1 1 108 108 PHE C C 108 179.501 179.501 175.628 3.873 25919 8965 1 14 . 1 1 108 108 PHE CA C 108 60.288 60.288 59.521 0.767 25919 8966 1 14 . 1 1 108 108 PHE CB C 108 40.506 40.506 38.534 1.972 25919 8967 1 14 . 1 1 108 108 PHE H H 108 9.739 9.739 8.415 1.324 25919 8968 1 14 . 1 1 109 109 LEU N N 109 120.814 120.814 118.222 2.592 25919 8969 1 14 . 1 1 109 109 LEU HA H 109 5.038 5.038 4.534 0.504 25919 8970 1 14 . 1 1 109 109 LEU CA C 109 53.479 53.479 55.114 -1.635 25919 8971 1 14 . 1 1 109 109 LEU CB C 109 45.197 45.197 43.352 1.845 25919 8972 1 14 . 1 1 109 109 LEU H H 109 7.968 7.968 8.162 -0.194 25919 8973 1 14 . 1 1 110 110 TYR N N 110 127.403 127.403 120.524 6.879 25919 8974 1 14 . 1 1 110 110 TYR HA H 110 4.907 4.907 5.255 -0.348 25919 8975 1 14 . 1 1 110 110 TYR CA C 110 59.259 59.259 57.267 1.992 25919 8976 1 14 . 1 1 110 110 TYR CB C 110 39.469 39.469 41.236 -1.766 25919 8977 1 14 . 1 1 110 110 TYR H H 110 9.349 9.349 8.839 0.510 25919 8978 1 14 . 1 1 111 111 MET N N 111 120.344 120.344 121.237 -0.893 25919 8979 1 14 . 1 1 111 111 MET HA H 111 5.543 5.543 5.533 0.010 25919 8980 1 14 . 1 1 111 111 MET CA C 111 54.341 54.341 54.526 -0.185 25919 8981 1 14 . 1 1 111 111 MET CB C 111 36.894 36.894 37.447 -0.553 25919 8982 1 14 . 1 1 111 111 MET H H 111 9.575 9.575 9.277 0.298 25919 8983 1 14 . 1 1 112 112 VAL N N 112 121.026 121.026 118.218 2.808 25919 8984 1 14 . 1 1 112 112 VAL HA H 112 5.938 5.938 5.498 0.440 25919 8985 1 14 . 1 1 112 112 VAL C C 112 176.696 176.696 173.773 2.923 25919 8986 1 14 . 1 1 112 112 VAL CA C 112 59.068 59.068 59.370 -0.302 25919 8987 1 14 . 1 1 112 112 VAL CB C 112 36.180 36.180 35.637 0.543 25919 8988 1 14 . 1 1 112 112 VAL H H 112 8.730 8.730 9.128 -0.398 25919 8989 1 14 . 1 1 113 113 TYR N N 113 119.995 119.995 121.276 -1.281 25919 8990 1 14 . 1 1 113 113 TYR HA H 113 6.143 6.143 5.755 0.388 25919 8991 1 14 . 1 1 113 113 TYR C C 113 173.533 173.533 173.492 0.041 25919 8992 1 14 . 1 1 113 113 TYR CA C 113 54.165 54.165 54.653 -0.488 25919 8993 1 14 . 1 1 113 113 TYR CB C 113 43.667 43.667 41.703 1.964 25919 8994 1 14 . 1 1 113 113 TYR H H 113 8.172 8.172 8.726 -0.554 25919 8995 1 14 . 1 1 114 114 ALA N N 114 120.454 120.454 124.474 -4.020 25919 8996 1 14 . 1 1 114 114 ALA HA H 114 4.750 4.750 4.967 -0.217 25919 8997 1 14 . 1 1 114 114 ALA C C 114 176.007 176.007 176.347 -0.340 25919 8998 1 14 . 1 1 114 114 ALA CA C 114 51.356 51.356 51.102 0.253 25919 8999 1 14 . 1 1 114 114 ALA CB C 114 24.623 24.623 22.167 2.456 25919 9000 1 14 . 1 1 114 114 ALA H H 114 8.499 8.499 8.828 -0.329 25919 9001 1 14 . 1 1 115 115 SER N N 115 115.279 115.279 113.983 1.296 25919 9002 1 14 . 1 1 115 115 SER HA H 115 4.505 4.505 4.656 -0.151 25919 9003 1 14 . 1 1 115 115 SER C C 115 172.860 172.860 174.075 -1.215 25919 9004 1 14 . 1 1 115 115 SER CA C 115 58.837 58.837 59.910 -1.073 25919 9005 1 14 . 1 1 115 115 SER CB C 115 63.798 63.798 63.804 -0.006 25919 9006 1 14 . 1 1 115 115 SER H H 115 9.823 9.823 9.059 0.764 25919 9007 1 14 . 1 1 116 116 GLN N N 116 117.398 117.398 116.745 0.653 25919 9008 1 14 . 1 1 116 116 GLN HA H 116 4.453 4.453 4.572 -0.119 25919 9009 1 14 . 1 1 116 116 GLN C C 116 173.181 173.181 174.486 -1.305 25919 9010 1 14 . 1 1 116 116 GLN CA C 116 54.024 54.024 54.703 -0.679 25919 9011 1 14 . 1 1 116 116 GLN CB C 116 32.179 32.179 29.971 2.208 25919 9012 1 14 . 1 1 116 116 GLN H H 116 7.165 7.165 7.405 -0.240 25919 9013 1 14 . 1 1 117 117 GLU N N 117 118.885 118.885 119.703 -0.818 25919 9014 1 14 . 1 1 117 117 GLU HA H 117 3.224 3.224 3.834 -0.610 25919 9015 1 14 . 1 1 117 117 GLU C C 117 175.451 175.451 175.665 -0.214 25919 9016 1 14 . 1 1 117 117 GLU CA C 117 56.917 56.917 57.322 -0.405 25919 9017 1 14 . 1 1 117 117 GLU CB C 117 30.206 30.206 29.785 0.421 25919 9018 1 14 . 1 1 117 117 GLU H H 117 7.873 7.873 8.503 -0.630 25919 9019 1 14 . 1 1 118 118 THR N N 118 110.883 110.883 106.885 3.998 25919 9020 1 14 . 1 1 118 118 THR HA H 118 4.074 4.074 4.473 -0.399 25919 9021 1 14 . 1 1 118 118 THR C C 118 173.234 173.234 173.699 -0.465 25919 9022 1 14 . 1 1 118 118 THR CA C 118 60.300 60.300 60.749 -0.449 25919 9023 1 14 . 1 1 118 118 THR CB C 118 70.118 70.118 70.561 -0.443 25919 9024 1 14 . 1 1 118 118 THR H H 118 6.988 6.988 7.238 -0.250 25919 9025 1 14 . 1 1 119 119 PHE N N 119 122.773 122.773 125.879 -3.106 25919 9026 1 14 . 1 1 119 119 PHE HA H 119 4.397 4.397 4.682 -0.285 25919 9027 1 14 . 1 1 119 119 PHE C C 119 175.045 175.045 175.505 -0.460 25919 9028 1 14 . 1 1 119 119 PHE CA C 119 56.810 56.810 58.981 -2.171 25919 9029 1 14 . 1 1 119 119 PHE CB C 119 39.349 39.349 40.699 -1.350 25919 9030 1 14 . 1 1 119 119 PHE H H 119 8.122 8.122 8.978 -0.856 25919 9031 1 15 . 1 1 2 2 PRO HA H 2 4.424 4.424 4.508 -0.084 25919 9032 1 15 . 1 1 2 2 PRO C C 2 176.917 176.917 176.357 0.560 25919 9033 1 15 . 1 1 2 2 PRO CA C 2 63.418 63.418 63.919 -0.501 25919 9034 1 15 . 1 1 2 2 PRO CB C 2 32.160 32.160 31.375 0.785 25919 9035 1 15 . 1 1 3 3 SER N N 3 116.273 116.273 120.358 -4.085 25919 9036 1 15 . 1 1 3 3 SER HA H 3 4.389 4.389 4.658 -0.269 25919 9037 1 15 . 1 1 3 3 SER C C 3 174.762 174.762 174.113 0.649 25919 9038 1 15 . 1 1 3 3 SER CA C 3 58.472 58.472 57.300 1.172 25919 9039 1 15 . 1 1 3 3 SER CB C 3 63.913 63.913 64.902 -0.989 25919 9040 1 15 . 1 1 3 3 SER H H 3 8.366 8.366 7.981 0.385 25919 9041 1 15 . 1 1 4 4 GLU N N 4 123.959 123.959 119.809 4.150 25919 9042 1 15 . 1 1 4 4 GLU HA H 4 4.289 4.289 4.248 0.041 25919 9043 1 15 . 1 1 4 4 GLU C C 4 176.545 176.545 175.411 1.134 25919 9044 1 15 . 1 1 4 4 GLU CA C 4 56.785 56.785 56.909 -0.124 25919 9045 1 15 . 1 1 4 4 GLU CB C 4 30.200 30.200 28.363 1.837 25919 9046 1 15 . 1 1 4 4 GLU H H 4 8.513 8.513 8.640 -0.127 25919 9047 1 15 . 1 1 5 5 LYS N N 5 122.165 122.165 119.786 2.379 25919 9048 1 15 . 1 1 5 5 LYS HA H 5 4.508 4.508 4.526 -0.018 25919 9049 1 15 . 1 1 5 5 LYS C C 5 177.178 177.178 174.753 2.425 25919 9050 1 15 . 1 1 5 5 LYS CA C 5 56.000 56.000 55.170 0.829 25919 9051 1 15 . 1 1 5 5 LYS CB C 5 34.758 34.758 34.490 0.268 25919 9052 1 15 . 1 1 5 5 LYS H H 5 8.198 8.198 7.603 0.595 25919 9053 1 15 . 1 1 6 6 THR N N 6 115.586 115.586 118.584 -2.998 25919 9054 1 15 . 1 1 6 6 THR HA H 6 4.426 4.426 4.371 0.055 25919 9055 1 15 . 1 1 6 6 THR C C 6 175.570 175.570 175.814 -0.244 25919 9056 1 15 . 1 1 6 6 THR CA C 6 61.120 61.120 62.507 -1.387 25919 9057 1 15 . 1 1 6 6 THR CB C 6 69.871 69.871 69.038 0.833 25919 9058 1 15 . 1 1 6 6 THR H H 6 8.423 8.423 8.221 0.202 25919 9059 1 15 . 1 1 7 7 PHE N N 7 126.100 126.100 127.563 -1.463 25919 9060 1 15 . 1 1 7 7 PHE HA H 7 3.935 3.935 4.100 -0.165 25919 9061 1 15 . 1 1 7 7 PHE CA C 7 63.687 63.687 61.452 2.235 25919 9062 1 15 . 1 1 7 7 PHE CB C 7 39.656 39.656 39.352 0.304 25919 9063 1 15 . 1 1 7 7 PHE H H 7 10.276 10.276 9.390 0.886 25919 9064 1 15 . 1 1 8 8 LYS N N 8 115.026 115.026 119.842 -4.816 25919 9065 1 15 . 1 1 8 8 LYS HA H 8 3.800 3.800 3.787 0.013 25919 9066 1 15 . 1 1 8 8 LYS CA C 8 59.944 59.944 57.663 2.281 25919 9067 1 15 . 1 1 8 8 LYS CB C 8 33.852 33.852 31.646 2.206 25919 9068 1 15 . 1 1 8 8 LYS H H 8 8.707 8.707 8.358 0.349 25919 9069 1 15 . 1 1 9 9 GLN N N 9 113.774 113.774 116.967 -3.193 25919 9070 1 15 . 1 1 9 9 GLN HA H 9 4.178 4.178 4.099 0.079 25919 9071 1 15 . 1 1 9 9 GLN C C 9 173.193 173.193 177.191 -3.998 25919 9072 1 15 . 1 1 9 9 GLN CA C 9 56.741 56.741 58.008 -1.266 25919 9073 1 15 . 1 1 9 9 GLN CB C 9 30.065 30.065 29.220 0.845 25919 9074 1 15 . 1 1 9 9 GLN H H 9 7.343 7.343 7.789 -0.446 25919 9075 1 15 . 1 1 10 10 ARG N N 10 119.156 119.156 116.804 2.352 25919 9076 1 15 . 1 1 10 10 ARG HA H 10 4.248 4.248 4.510 -0.262 25919 9077 1 15 . 1 1 10 10 ARG CA C 10 57.555 57.555 56.296 1.259 25919 9078 1 15 . 1 1 10 10 ARG CB C 10 31.771 31.771 31.794 -0.023 25919 9079 1 15 . 1 1 10 10 ARG H H 10 7.912 7.912 7.792 0.120 25919 9080 1 15 . 1 1 11 11 ARG N N 11 120.777 120.777 120.976 -0.199 25919 9081 1 15 . 1 1 11 11 ARG HA H 11 4.685 4.685 4.450 0.235 25919 9082 1 15 . 1 1 11 11 ARG CA C 11 53.161 53.161 55.328 -2.167 25919 9083 1 15 . 1 1 11 11 ARG CB C 11 32.773 32.773 31.342 1.431 25919 9084 1 15 . 1 1 11 11 ARG H H 11 7.341 7.341 7.431 -0.090 25919 9085 1 15 . 1 1 12 12 THR N N 12 116.696 116.696 115.428 1.268 25919 9086 1 15 . 1 1 12 12 THR HA H 12 4.358 4.358 4.374 -0.016 25919 9087 1 15 . 1 1 12 12 THR C C 12 175.056 175.056 175.713 -0.657 25919 9088 1 15 . 1 1 12 12 THR CA C 12 61.795 61.795 60.748 1.048 25919 9089 1 15 . 1 1 12 12 THR CB C 12 71.050 71.050 69.906 1.144 25919 9090 1 15 . 1 1 12 12 THR H H 12 8.855 8.855 8.349 0.506 25919 9091 1 15 . 1 1 13 13 PHE N N 13 123.894 123.894 122.656 1.238 25919 9092 1 15 . 1 1 13 13 PHE HA H 13 4.043 4.043 4.323 -0.280 25919 9093 1 15 . 1 1 13 13 PHE C C 13 176.234 176.234 177.397 -1.163 25919 9094 1 15 . 1 1 13 13 PHE CA C 13 62.947 62.947 61.992 0.955 25919 9095 1 15 . 1 1 13 13 PHE CB C 13 39.571 39.571 39.447 0.124 25919 9096 1 15 . 1 1 13 13 PHE H H 13 9.221 9.221 8.831 0.390 25919 9097 1 15 . 1 1 14 14 GLU N N 14 116.516 116.516 118.791 -2.275 25919 9098 1 15 . 1 1 14 14 GLU HA H 14 3.812 3.812 3.976 -0.164 25919 9099 1 15 . 1 1 14 14 GLU CA C 14 60.699 60.699 60.101 0.598 25919 9100 1 15 . 1 1 14 14 GLU CB C 14 28.943 28.943 29.252 -0.309 25919 9101 1 15 . 1 1 14 14 GLU H H 14 9.002 9.002 8.876 0.126 25919 9102 1 15 . 1 1 15 15 GLN N N 15 119.291 119.291 118.570 0.721 25919 9103 1 15 . 1 1 15 15 GLN HA H 15 4.024 4.024 4.015 0.009 25919 9104 1 15 . 1 1 15 15 GLN C C 15 175.263 175.263 178.547 -3.284 25919 9105 1 15 . 1 1 15 15 GLN CA C 15 58.800 58.800 58.562 0.238 25919 9106 1 15 . 1 1 15 15 GLN CB C 15 29.300 29.300 28.769 0.531 25919 9107 1 15 . 1 1 15 15 GLN H H 15 7.706 7.706 7.667 0.039 25919 9108 1 15 . 1 1 16 16 ARG N N 16 122.883 122.883 120.290 2.593 25919 9109 1 15 . 1 1 16 16 ARG HA H 16 4.235 4.235 4.096 0.139 25919 9110 1 15 . 1 1 16 16 ARG CA C 16 61.660 61.660 58.593 3.067 25919 9111 1 15 . 1 1 16 16 ARG CB C 16 30.877 30.877 29.825 1.052 25919 9112 1 15 . 1 1 16 16 ARG H H 16 8.567 8.567 8.608 -0.041 25919 9113 1 15 . 1 1 17 17 VAL N N 17 118.523 118.523 119.572 -1.049 25919 9114 1 15 . 1 1 17 17 VAL HA H 17 3.865 3.865 3.587 0.278 25919 9115 1 15 . 1 1 17 17 VAL C C 17 174.213 174.213 178.219 -4.006 25919 9116 1 15 . 1 1 17 17 VAL CA C 17 65.550 65.550 66.421 -0.871 25919 9117 1 15 . 1 1 17 17 VAL CB C 17 32.171 32.171 30.956 1.215 25919 9118 1 15 . 1 1 17 17 VAL H H 17 8.430 8.430 8.089 0.341 25919 9119 1 15 . 1 1 18 18 GLU N N 18 120.170 120.170 120.276 -0.106 25919 9120 1 15 . 1 1 18 18 GLU HA H 18 4.212 4.212 3.913 0.299 25919 9121 1 15 . 1 1 18 18 GLU C C 18 175.758 175.758 178.591 -2.833 25919 9122 1 15 . 1 1 18 18 GLU CA C 18 58.488 58.488 59.920 -1.432 25919 9123 1 15 . 1 1 18 18 GLU CB C 18 29.360 29.360 29.315 0.045 25919 9124 1 15 . 1 1 18 18 GLU H H 18 7.423 7.423 7.751 -0.328 25919 9125 1 15 . 1 1 19 19 ASP N N 19 121.273 121.273 120.438 0.835 25919 9126 1 15 . 1 1 19 19 ASP HA H 19 4.384 4.384 4.353 0.031 25919 9127 1 15 . 1 1 19 19 ASP C C 19 177.016 177.016 178.566 -1.550 25919 9128 1 15 . 1 1 19 19 ASP CA C 19 56.900 56.900 57.171 -0.271 25919 9129 1 15 . 1 1 19 19 ASP CB C 19 41.884 41.884 40.766 1.119 25919 9130 1 15 . 1 1 19 19 ASP H H 19 7.955 7.955 8.320 -0.365 25919 9131 1 15 . 1 1 20 20 VAL N N 20 119.523 119.523 120.467 -0.944 25919 9132 1 15 . 1 1 20 20 VAL HA H 20 3.232 3.232 3.674 -0.442 25919 9133 1 15 . 1 1 20 20 VAL C C 20 173.876 173.876 177.987 -4.111 25919 9134 1 15 . 1 1 20 20 VAL CA C 20 66.128 66.128 65.710 0.418 25919 9135 1 15 . 1 1 20 20 VAL CB C 20 31.099 31.099 31.573 -0.474 25919 9136 1 15 . 1 1 20 20 VAL H H 20 7.818 7.818 8.225 -0.407 25919 9137 1 15 . 1 1 21 21 ARG N N 21 120.310 120.310 120.528 -0.218 25919 9138 1 15 . 1 1 21 21 ARG HA H 21 3.803 3.803 4.107 -0.304 25919 9139 1 15 . 1 1 21 21 ARG CA C 21 59.934 59.934 59.913 0.021 25919 9140 1 15 . 1 1 21 21 ARG CB C 21 30.076 30.076 30.148 -0.072 25919 9141 1 15 . 1 1 21 21 ARG H H 21 8.037 8.037 7.893 0.144 25919 9142 1 15 . 1 1 22 22 LEU N N 22 118.660 118.660 121.024 -2.364 25919 9143 1 15 . 1 1 22 22 LEU HA H 22 4.094 4.094 3.897 0.197 25919 9144 1 15 . 1 1 22 22 LEU C C 22 177.626 177.626 179.256 -1.630 25919 9145 1 15 . 1 1 22 22 LEU CA C 22 57.738 57.738 58.247 -0.509 25919 9146 1 15 . 1 1 22 22 LEU CB C 22 42.222 42.222 41.738 0.484 25919 9147 1 15 . 1 1 22 22 LEU H H 22 8.050 8.050 8.484 -0.434 25919 9148 1 15 . 1 1 23 23 ILE N N 23 122.825 122.825 119.196 3.629 25919 9149 1 15 . 1 1 23 23 ILE HA H 23 4.122 4.122 3.576 0.546 25919 9150 1 15 . 1 1 23 23 ILE C C 23 176.226 176.226 178.400 -2.174 25919 9151 1 15 . 1 1 23 23 ILE CA C 23 61.243 61.243 63.927 -2.684 25919 9152 1 15 . 1 1 23 23 ILE CB C 23 38.268 38.268 36.444 1.824 25919 9153 1 15 . 1 1 23 23 ILE H H 23 8.390 8.390 8.479 -0.089 25919 9154 1 15 . 1 1 24 24 ARG N N 24 122.365 122.365 120.135 2.230 25919 9155 1 15 . 1 1 24 24 ARG HA H 24 4.017 4.017 4.030 -0.013 25919 9156 1 15 . 1 1 24 24 ARG CA C 24 57.684 57.684 58.156 -0.472 25919 9157 1 15 . 1 1 24 24 ARG CB C 24 28.817 28.817 29.780 -0.963 25919 9158 1 15 . 1 1 24 24 ARG H H 24 8.540 8.540 7.853 0.687 25919 9159 1 15 . 1 1 25 25 GLU N N 25 118.383 118.383 118.895 -0.512 25919 9160 1 15 . 1 1 25 25 GLU HA H 25 4.044 4.044 4.164 -0.120 25919 9161 1 15 . 1 1 25 25 GLU CA C 25 58.680 58.680 58.907 -0.227 25919 9162 1 15 . 1 1 25 25 GLU CB C 25 29.850 29.850 29.619 0.231 25919 9163 1 15 . 1 1 25 25 GLU H H 25 7.287 7.287 8.182 -0.895 25919 9164 1 15 . 1 1 26 26 GLN N N 26 117.165 117.165 116.861 0.304 25919 9165 1 15 . 1 1 26 26 GLN HA H 26 3.948 3.948 4.290 -0.342 25919 9166 1 15 . 1 1 26 26 GLN C C 26 176.221 176.221 176.999 -0.778 25919 9167 1 15 . 1 1 26 26 GLN CA C 26 57.638 57.638 57.317 0.321 25919 9168 1 15 . 1 1 26 26 GLN CB C 26 30.320 30.320 29.809 0.511 25919 9169 1 15 . 1 1 26 26 GLN H H 26 7.423 7.423 8.107 -0.684 25919 9170 1 15 . 1 1 27 27 HIS N N 27 117.140 117.140 118.527 -1.387 25919 9171 1 15 . 1 1 27 27 HIS HA H 27 4.866 4.866 4.966 -0.100 25919 9172 1 15 . 1 1 27 27 HIS CA C 27 53.305 53.305 52.739 0.566 25919 9173 1 15 . 1 1 27 27 HIS CB C 27 30.917 30.917 29.429 1.488 25919 9174 1 15 . 1 1 27 27 HIS H H 27 8.254 8.254 8.254 -0.000 25919 9175 1 15 . 1 1 28 28 PRO HA H 28 4.609 4.609 4.420 0.189 25919 9176 1 15 . 1 1 28 28 PRO CA C 28 64.881 64.881 64.440 0.441 25919 9177 1 15 . 1 1 28 28 PRO CB C 28 32.554 32.554 32.223 0.331 25919 9178 1 15 . 1 1 29 29 THR N N 29 107.339 107.339 105.659 1.680 25919 9179 1 15 . 1 1 29 29 THR HA H 29 4.644 4.644 4.152 0.492 25919 9180 1 15 . 1 1 29 29 THR C C 29 172.933 172.933 174.053 -1.120 25919 9181 1 15 . 1 1 29 29 THR CA C 29 60.600 60.600 62.814 -2.214 25919 9182 1 15 . 1 1 29 29 THR CB C 29 68.520 68.520 69.106 -0.586 25919 9183 1 15 . 1 1 29 29 THR H H 29 7.764 7.764 8.200 -0.436 25919 9184 1 15 . 1 1 30 30 LYS N N 30 118.273 118.273 120.119 -1.846 25919 9185 1 15 . 1 1 30 30 LYS HA H 30 4.926 4.926 4.923 0.003 25919 9186 1 15 . 1 1 30 30 LYS C C 30 175.010 175.010 175.150 -0.140 25919 9187 1 15 . 1 1 30 30 LYS CA C 30 53.740 53.740 54.780 -1.040 25919 9188 1 15 . 1 1 30 30 LYS CB C 30 36.445 36.445 35.834 0.611 25919 9189 1 15 . 1 1 30 30 LYS H H 30 7.478 7.478 7.219 0.259 25919 9190 1 15 . 1 1 31 31 ILE N N 31 123.498 123.498 122.890 0.608 25919 9191 1 15 . 1 1 31 31 ILE HA H 31 4.139 4.139 4.032 0.107 25919 9192 1 15 . 1 1 31 31 ILE CA C 31 54.669 54.669 56.089 -1.420 25919 9193 1 15 . 1 1 31 31 ILE CB C 31 38.427 38.427 37.403 1.024 25919 9194 1 15 . 1 1 31 31 ILE H H 31 9.235 9.235 8.814 0.421 25919 9195 1 15 . 1 1 32 32 PRO HA H 32 5.212 5.212 4.650 0.562 25919 9196 1 15 . 1 1 32 32 PRO C C 32 174.832 174.832 175.766 -0.934 25919 9197 1 15 . 1 1 32 32 PRO CA C 32 61.678 61.678 62.198 -0.520 25919 9198 1 15 . 1 1 32 32 PRO CB C 32 30.993 30.993 31.901 -0.908 25919 9199 1 15 . 1 1 33 33 VAL N N 33 124.964 124.964 122.152 2.812 25919 9200 1 15 . 1 1 33 33 VAL HA H 33 5.234 5.234 4.705 0.529 25919 9201 1 15 . 1 1 33 33 VAL CA C 33 59.611 59.611 60.304 -0.693 25919 9202 1 15 . 1 1 33 33 VAL CB C 33 35.711 35.711 35.333 0.378 25919 9203 1 15 . 1 1 33 33 VAL H H 33 9.289 9.289 8.767 0.522 25919 9204 1 15 . 1 1 34 34 ILE N N 34 127.908 127.908 126.405 1.503 25919 9205 1 15 . 1 1 34 34 ILE HA H 34 4.742 4.742 3.956 0.786 25919 9206 1 15 . 1 1 34 34 ILE CA C 34 56.330 56.330 58.539 -2.209 25919 9207 1 15 . 1 1 34 34 ILE CB C 34 36.629 36.629 37.817 -1.188 25919 9208 1 15 . 1 1 34 34 ILE H H 34 8.594 8.594 8.172 0.422 25919 9209 1 15 . 1 1 35 35 ILE N N 35 125.405 125.405 126.840 -1.435 25919 9210 1 15 . 1 1 35 35 ILE HA H 35 4.879 4.879 5.301 -0.422 25919 9211 1 15 . 1 1 35 35 ILE C C 35 176.126 176.126 174.000 2.126 25919 9212 1 15 . 1 1 35 35 ILE CA C 35 60.923 60.923 58.953 1.970 25919 9213 1 15 . 1 1 35 35 ILE CB C 35 38.968 38.968 41.477 -2.509 25919 9214 1 15 . 1 1 35 35 ILE H H 35 8.545 8.545 8.375 0.170 25919 9215 1 15 . 1 1 36 36 GLU N N 36 124.153 124.153 126.291 -2.138 25919 9216 1 15 . 1 1 36 36 GLU HA H 36 4.789 4.789 4.923 -0.134 25919 9217 1 15 . 1 1 36 36 GLU C C 36 173.645 173.645 174.892 -1.247 25919 9218 1 15 . 1 1 36 36 GLU CA C 36 54.282 54.282 54.547 -0.265 25919 9219 1 15 . 1 1 36 36 GLU CB C 36 35.401 35.401 34.860 0.541 25919 9220 1 15 . 1 1 36 36 GLU H H 36 8.363 8.363 8.523 -0.160 25919 9221 1 15 . 1 1 37 37 ARG N N 37 123.957 123.957 125.051 -1.094 25919 9222 1 15 . 1 1 37 37 ARG HA H 37 2.804 2.804 3.111 -0.307 25919 9223 1 15 . 1 1 37 37 ARG C C 37 176.456 176.456 175.982 0.474 25919 9224 1 15 . 1 1 37 37 ARG CA C 37 56.120 56.120 56.390 -0.270 25919 9225 1 15 . 1 1 37 37 ARG CB C 37 31.500 31.500 30.729 0.771 25919 9226 1 15 . 1 1 37 37 ARG H H 37 8.853 8.853 8.826 0.027 25919 9227 1 15 . 1 1 38 38 TYR N N 38 129.636 129.636 128.157 1.479 25919 9228 1 15 . 1 1 38 38 TYR HA H 38 4.311 4.311 4.210 0.101 25919 9229 1 15 . 1 1 38 38 TYR CA C 38 57.907 57.907 59.092 -1.185 25919 9230 1 15 . 1 1 38 38 TYR CB C 38 39.567 39.567 39.607 -0.040 25919 9231 1 15 . 1 1 38 38 TYR H H 38 8.663 8.663 8.342 0.321 25919 9232 1 15 . 1 1 39 39 LYS N N 39 130.772 130.772 126.192 4.580 25919 9233 1 15 . 1 1 39 39 LYS HA H 39 3.848 3.848 3.962 -0.114 25919 9234 1 15 . 1 1 39 39 LYS CA C 39 58.986 58.986 57.877 1.109 25919 9235 1 15 . 1 1 39 39 LYS CB C 39 31.777 31.777 32.350 -0.573 25919 9236 1 15 . 1 1 39 39 LYS H H 39 8.389 8.389 8.455 -0.066 25919 9237 1 15 . 1 1 40 40 GLY N N 40 106.013 106.013 104.478 1.535 25919 9238 1 15 . 1 1 40 40 GLY C C 40 173.407 173.407 174.452 -1.045 25919 9239 1 15 . 1 1 40 40 GLY CA C 40 44.796 44.796 44.787 0.009 25919 9240 1 15 . 1 1 40 40 GLY H H 40 5.643 5.643 6.776 -1.133 25919 9241 1 15 . 1 1 41 41 GLU N N 41 123.519 123.519 119.656 3.863 25919 9242 1 15 . 1 1 41 41 GLU HA H 41 4.265 4.265 4.519 -0.254 25919 9243 1 15 . 1 1 41 41 GLU C C 41 176.231 176.231 175.982 0.249 25919 9244 1 15 . 1 1 41 41 GLU CA C 41 56.365 56.365 56.034 0.331 25919 9245 1 15 . 1 1 41 41 GLU CB C 41 31.077 31.077 30.546 0.531 25919 9246 1 15 . 1 1 41 41 GLU H H 41 7.464 7.464 6.892 0.572 25919 9247 1 15 . 1 1 42 42 LYS N N 42 124.405 124.405 127.062 -2.657 25919 9248 1 15 . 1 1 42 42 LYS HA H 42 4.669 4.669 4.292 0.377 25919 9249 1 15 . 1 1 42 42 LYS C C 42 177.170 177.170 176.510 0.660 25919 9250 1 15 . 1 1 42 42 LYS CA C 42 55.750 55.750 56.419 -0.669 25919 9251 1 15 . 1 1 42 42 LYS CB C 42 34.929 34.929 30.924 4.005 25919 9252 1 15 . 1 1 42 42 LYS H H 42 8.895 8.895 8.525 0.370 25919 9253 1 15 . 1 1 43 43 GLN N N 43 119.903 119.903 119.106 0.797 25919 9254 1 15 . 1 1 43 43 GLN HA H 43 4.541 4.541 4.198 0.343 25919 9255 1 15 . 1 1 43 43 GLN C C 43 177.260 177.260 176.901 0.359 25919 9256 1 15 . 1 1 43 43 GLN CA C 43 57.566 57.566 57.069 0.498 25919 9257 1 15 . 1 1 43 43 GLN CB C 43 30.620 30.620 29.258 1.362 25919 9258 1 15 . 1 1 43 43 GLN H H 43 8.459 8.459 7.702 0.757 25919 9259 1 15 . 1 1 44 44 LEU N N 44 121.272 121.272 121.603 -0.331 25919 9260 1 15 . 1 1 44 44 LEU HA H 44 4.726 4.726 4.645 0.081 25919 9261 1 15 . 1 1 44 44 LEU CA C 44 53.165 53.165 53.194 -0.029 25919 9262 1 15 . 1 1 44 44 LEU CB C 44 43.444 43.444 41.567 1.877 25919 9263 1 15 . 1 1 44 44 LEU H H 44 9.002 9.002 8.348 0.654 25919 9264 1 15 . 1 1 45 45 PRO HA H 45 4.722 4.722 4.506 0.216 25919 9265 1 15 . 1 1 45 45 PRO CA C 45 62.169 62.169 63.045 -0.876 25919 9266 1 15 . 1 1 45 45 PRO CB C 45 32.722 32.722 32.461 0.262 25919 9267 1 15 . 1 1 46 46 VAL N N 46 118.403 118.403 121.276 -2.873 25919 9268 1 15 . 1 1 46 46 VAL HA H 46 4.009 4.009 4.904 -0.895 25919 9269 1 15 . 1 1 46 46 VAL C C 46 173.416 173.416 175.017 -1.601 25919 9270 1 15 . 1 1 46 46 VAL CA C 46 62.413 62.413 60.315 2.099 25919 9271 1 15 . 1 1 46 46 VAL CB C 46 33.087 33.087 34.017 -0.930 25919 9272 1 15 . 1 1 46 46 VAL H H 46 8.349 8.349 8.378 -0.029 25919 9273 1 15 . 1 1 47 47 LEU N N 47 128.653 128.653 126.386 2.267 25919 9274 1 15 . 1 1 47 47 LEU HA H 47 4.452 4.452 4.757 -0.305 25919 9275 1 15 . 1 1 47 47 LEU CA C 47 54.758 54.758 53.721 1.037 25919 9276 1 15 . 1 1 47 47 LEU CB C 47 44.076 44.076 45.401 -1.325 25919 9277 1 15 . 1 1 47 47 LEU H H 47 8.064 8.064 8.561 -0.497 25919 9278 1 15 . 1 1 48 48 ASP N N 48 121.042 121.042 120.087 0.955 25919 9279 1 15 . 1 1 48 48 ASP HA H 48 4.347 4.347 4.768 -0.421 25919 9280 1 15 . 1 1 48 48 ASP CA C 48 55.600 55.600 54.038 1.562 25919 9281 1 15 . 1 1 48 48 ASP CB C 48 40.407 40.407 38.909 1.498 25919 9282 1 15 . 1 1 48 48 ASP H H 48 8.649 8.649 8.719 -0.070 25919 9283 1 15 . 1 1 49 49 LYS N N 49 118.877 118.877 120.485 -1.608 25919 9284 1 15 . 1 1 49 49 LYS HA H 49 4.541 4.541 4.680 -0.139 25919 9285 1 15 . 1 1 49 49 LYS C C 49 179.744 179.744 176.327 3.417 25919 9286 1 15 . 1 1 49 49 LYS CA C 49 54.099 54.099 55.620 -1.521 25919 9287 1 15 . 1 1 49 49 LYS CB C 49 35.378 35.378 33.341 2.037 25919 9288 1 15 . 1 1 49 49 LYS H H 49 7.287 7.287 7.903 -0.616 25919 9289 1 15 . 1 1 50 50 THR N N 50 114.691 114.691 112.817 1.874 25919 9290 1 15 . 1 1 50 50 THR HA H 50 4.628 4.628 4.462 0.166 25919 9291 1 15 . 1 1 50 50 THR CA C 50 63.920 63.920 62.511 1.409 25919 9292 1 15 . 1 1 50 50 THR CB C 50 71.365 71.365 70.207 1.158 25919 9293 1 15 . 1 1 50 50 THR H H 50 8.064 8.064 8.188 -0.124 25919 9294 1 15 . 1 1 51 51 LYS N N 51 120.273 120.273 121.284 -1.011 25919 9295 1 15 . 1 1 51 51 LYS HA H 51 4.570 4.570 4.509 0.061 25919 9296 1 15 . 1 1 51 51 LYS CA C 51 54.997 54.997 55.471 -0.474 25919 9297 1 15 . 1 1 51 51 LYS CB C 51 32.700 32.700 35.358 -2.658 25919 9298 1 15 . 1 1 51 51 LYS H H 51 7.192 7.192 7.340 -0.148 25919 9299 1 15 . 1 1 52 52 PHE N N 52 121.816 121.816 120.221 1.595 25919 9300 1 15 . 1 1 52 52 PHE HA H 52 5.503 5.503 4.793 0.710 25919 9301 1 15 . 1 1 52 52 PHE CA C 52 56.104 56.104 55.898 0.206 25919 9302 1 15 . 1 1 52 52 PHE CB C 52 43.188 43.188 40.708 2.480 25919 9303 1 15 . 1 1 52 52 PHE H H 52 9.466 9.466 8.520 0.946 25919 9304 1 15 . 1 1 53 53 LEU N N 53 120.846 120.846 124.177 -3.331 25919 9305 1 15 . 1 1 53 53 LEU HA H 53 5.135 5.135 4.973 0.162 25919 9306 1 15 . 1 1 53 53 LEU C C 53 175.042 175.042 176.194 -1.152 25919 9307 1 15 . 1 1 53 53 LEU CA C 53 52.916 52.916 53.527 -0.611 25919 9308 1 15 . 1 1 53 53 LEU CB C 53 45.242 45.242 43.423 1.819 25919 9309 1 15 . 1 1 53 53 LEU H H 53 8.608 8.608 8.569 0.039 25919 9310 1 15 . 1 1 54 54 VAL N N 54 123.773 123.773 124.813 -1.040 25919 9311 1 15 . 1 1 54 54 VAL HA H 54 4.755 4.755 4.614 0.141 25919 9312 1 15 . 1 1 54 54 VAL CA C 54 58.622 58.622 58.611 0.011 25919 9313 1 15 . 1 1 54 54 VAL CB C 54 35.150 35.150 34.610 0.540 25919 9314 1 15 . 1 1 54 54 VAL H H 54 8.801 8.801 8.839 -0.038 25919 9315 1 15 . 1 1 55 55 PRO HA H 55 4.435 4.435 4.792 -0.357 25919 9316 1 15 . 1 1 55 55 PRO C C 55 176.427 176.427 178.149 -1.722 25919 9317 1 15 . 1 1 55 55 PRO CA C 55 64.298 64.298 62.388 1.910 25919 9318 1 15 . 1 1 55 55 PRO CB C 55 32.822 32.822 32.283 0.539 25919 9319 1 15 . 1 1 56 56 ASP N N 56 121.214 121.214 123.428 -2.214 25919 9320 1 15 . 1 1 56 56 ASP HA H 56 3.880 3.880 4.280 -0.400 25919 9321 1 15 . 1 1 56 56 ASP CA C 56 56.742 56.742 57.399 -0.657 25919 9322 1 15 . 1 1 56 56 ASP CB C 56 40.481 40.481 39.904 0.577 25919 9323 1 15 . 1 1 56 56 ASP H H 56 8.336 8.336 8.357 -0.021 25919 9324 1 15 . 1 1 57 57 HIS N N 57 114.277 114.277 117.662 -3.385 25919 9325 1 15 . 1 1 57 57 HIS HA H 57 4.772 4.772 4.435 0.337 25919 9326 1 15 . 1 1 57 57 HIS C C 57 174.806 174.806 175.466 -0.660 25919 9327 1 15 . 1 1 57 57 HIS CA C 57 55.688 55.688 57.471 -1.782 25919 9328 1 15 . 1 1 57 57 HIS CB C 57 30.450 30.450 29.650 0.800 25919 9329 1 15 . 1 1 57 57 HIS H H 57 7.464 7.464 8.232 -0.768 25919 9330 1 15 . 1 1 58 58 VAL N N 58 123.531 123.531 121.024 2.507 25919 9331 1 15 . 1 1 58 58 VAL HA H 58 3.909 3.909 4.042 -0.133 25919 9332 1 15 . 1 1 58 58 VAL C C 58 177.148 177.148 175.120 2.028 25919 9333 1 15 . 1 1 58 58 VAL CA C 58 62.900 62.900 63.371 -0.471 25919 9334 1 15 . 1 1 58 58 VAL CB C 58 32.320 32.320 31.897 0.423 25919 9335 1 15 . 1 1 58 58 VAL H H 58 7.261 7.261 7.837 -0.576 25919 9336 1 15 . 1 1 59 59 ASN N N 59 124.147 124.147 124.447 -0.300 25919 9337 1 15 . 1 1 59 59 ASN HA H 59 5.174 5.174 5.080 0.094 25919 9338 1 15 . 1 1 59 59 ASN C C 59 175.176 175.176 176.089 -0.913 25919 9339 1 15 . 1 1 59 59 ASN CA C 59 51.374 51.374 51.974 -0.600 25919 9340 1 15 . 1 1 59 59 ASN CB C 59 40.038 40.038 40.220 -0.182 25919 9341 1 15 . 1 1 59 59 ASN H H 59 8.819 8.819 8.295 0.524 25919 9342 1 15 . 1 1 60 60 MET N N 60 117.583 117.583 119.916 -2.333 25919 9343 1 15 . 1 1 60 60 MET HA H 60 4.425 4.425 4.162 0.263 25919 9344 1 15 . 1 1 60 60 MET CA C 60 57.271 57.271 58.604 -1.333 25919 9345 1 15 . 1 1 60 60 MET CB C 60 30.063 30.063 32.572 -2.509 25919 9346 1 15 . 1 1 60 60 MET H H 60 8.023 8.023 8.753 -0.730 25919 9347 1 15 . 1 1 61 61 SER N N 61 115.027 115.027 114.571 0.456 25919 9348 1 15 . 1 1 61 61 SER HA H 61 4.138 4.138 4.083 0.055 25919 9349 1 15 . 1 1 61 61 SER C C 61 178.809 178.809 176.499 2.310 25919 9350 1 15 . 1 1 61 61 SER CA C 61 61.553 61.553 61.531 0.022 25919 9351 1 15 . 1 1 61 61 SER CB C 61 62.581 62.581 62.829 -0.248 25919 9352 1 15 . 1 1 61 61 SER H H 61 8.350 8.350 8.165 0.185 25919 9353 1 15 . 1 1 62 62 GLU N N 62 123.657 123.657 122.500 1.157 25919 9354 1 15 . 1 1 62 62 GLU HA H 62 3.979 3.979 4.057 -0.078 25919 9355 1 15 . 1 1 62 62 GLU C C 62 176.456 176.456 178.487 -2.031 25919 9356 1 15 . 1 1 62 62 GLU CA C 62 58.726 58.726 58.995 -0.269 25919 9357 1 15 . 1 1 62 62 GLU CB C 62 29.700 29.700 29.428 0.272 25919 9358 1 15 . 1 1 62 62 GLU H H 62 7.994 7.994 8.471 -0.477 25919 9359 1 15 . 1 1 63 63 LEU N N 63 121.225 121.225 121.234 -0.009 25919 9360 1 15 . 1 1 63 63 LEU HA H 63 3.949 3.949 3.909 0.040 25919 9361 1 15 . 1 1 63 63 LEU C C 63 178.113 178.113 178.528 -0.415 25919 9362 1 15 . 1 1 63 63 LEU CA C 63 57.860 57.860 58.223 -0.363 25919 9363 1 15 . 1 1 63 63 LEU CB C 63 41.526 41.526 41.799 -0.273 25919 9364 1 15 . 1 1 63 63 LEU H H 63 8.223 8.223 8.210 0.013 25919 9365 1 15 . 1 1 64 64 ILE N N 64 119.273 119.273 119.250 0.023 25919 9366 1 15 . 1 1 64 64 ILE HA H 64 3.375 3.375 3.544 -0.169 25919 9367 1 15 . 1 1 64 64 ILE CA C 64 66.723 66.723 65.902 0.821 25919 9368 1 15 . 1 1 64 64 ILE CB C 64 38.161 38.161 37.613 0.548 25919 9369 1 15 . 1 1 64 64 ILE H H 64 8.301 8.301 8.245 0.056 25919 9370 1 15 . 1 1 65 65 LYS N N 65 119.143 119.143 119.715 -0.572 25919 9371 1 15 . 1 1 65 65 LYS HA H 65 3.703 3.703 3.923 -0.220 25919 9372 1 15 . 1 1 65 65 LYS C C 65 173.869 173.869 179.063 -5.194 25919 9373 1 15 . 1 1 65 65 LYS CA C 65 60.451 60.451 59.824 0.627 25919 9374 1 15 . 1 1 65 65 LYS CB C 65 32.300 32.300 32.267 0.033 25919 9375 1 15 . 1 1 65 65 LYS H H 65 7.300 7.300 8.101 -0.801 25919 9376 1 15 . 1 1 66 66 ILE N N 66 120.527 120.527 121.164 -0.637 25919 9377 1 15 . 1 1 66 66 ILE HA H 66 3.541 3.541 3.750 -0.209 25919 9378 1 15 . 1 1 66 66 ILE C C 66 176.459 176.459 177.479 -1.020 25919 9379 1 15 . 1 1 66 66 ILE CA C 66 65.290 65.290 64.088 1.202 25919 9380 1 15 . 1 1 66 66 ILE CB C 66 38.254 38.254 37.880 0.374 25919 9381 1 15 . 1 1 66 66 ILE H H 66 8.048 8.048 7.740 0.308 25919 9382 1 15 . 1 1 67 67 ILE N N 67 121.527 121.527 120.734 0.793 25919 9383 1 15 . 1 1 67 67 ILE HA H 67 3.336 3.336 3.595 -0.259 25919 9384 1 15 . 1 1 67 67 ILE C C 67 178.102 178.102 178.000 0.102 25919 9385 1 15 . 1 1 67 67 ILE CA C 67 63.952 63.952 63.614 0.338 25919 9386 1 15 . 1 1 67 67 ILE CB C 67 35.891 35.891 36.293 -0.402 25919 9387 1 15 . 1 1 67 67 ILE H H 67 8.308 8.308 8.259 0.049 25919 9388 1 15 . 1 1 68 68 ARG N N 68 119.384 119.384 120.550 -1.166 25919 9389 1 15 . 1 1 68 68 ARG HA H 68 2.970 2.970 3.034 -0.064 25919 9390 1 15 . 1 1 68 68 ARG C C 68 172.723 172.723 178.002 -5.279 25919 9391 1 15 . 1 1 68 68 ARG CA C 68 60.704 60.704 59.919 0.785 25919 9392 1 15 . 1 1 68 68 ARG CB C 68 30.320 30.320 29.977 0.343 25919 9393 1 15 . 1 1 68 68 ARG H H 68 8.336 8.336 8.503 -0.167 25919 9394 1 15 . 1 1 69 69 ARG N N 69 117.648 117.648 118.937 -1.289 25919 9395 1 15 . 1 1 69 69 ARG HA H 69 4.138 4.138 4.027 0.111 25919 9396 1 15 . 1 1 69 69 ARG C C 69 172.480 172.480 179.452 -6.972 25919 9397 1 15 . 1 1 69 69 ARG CA C 69 58.645 58.645 57.932 0.713 25919 9398 1 15 . 1 1 69 69 ARG CB C 69 29.779 29.779 29.462 0.317 25919 9399 1 15 . 1 1 69 69 ARG H H 69 7.432 7.432 7.743 -0.311 25919 9400 1 15 . 1 1 70 70 ARG N N 70 124.006 124.006 118.675 5.331 25919 9401 1 15 . 1 1 70 70 ARG HA H 70 4.074 4.074 4.038 0.036 25919 9402 1 15 . 1 1 70 70 ARG C C 70 178.799 178.799 177.849 0.950 25919 9403 1 15 . 1 1 70 70 ARG CA C 70 58.385 58.385 57.638 0.747 25919 9404 1 15 . 1 1 70 70 ARG CB C 70 30.043 30.043 29.677 0.366 25919 9405 1 15 . 1 1 70 70 ARG H H 70 8.212 8.212 8.213 -0.001 25919 9406 1 15 . 1 1 71 71 LEU N N 71 117.764 117.764 117.510 0.254 25919 9407 1 15 . 1 1 71 71 LEU HA H 71 4.085 4.085 4.148 -0.063 25919 9408 1 15 . 1 1 71 71 LEU CA C 71 55.063 55.063 54.411 0.652 25919 9409 1 15 . 1 1 71 71 LEU CB C 71 43.100 43.100 41.206 1.894 25919 9410 1 15 . 1 1 71 71 LEU H H 71 7.750 7.750 7.806 -0.056 25919 9411 1 15 . 1 1 72 72 GLN N N 72 115.522 115.522 112.731 2.791 25919 9412 1 15 . 1 1 72 72 GLN HA H 72 3.839 3.839 3.893 -0.054 25919 9413 1 15 . 1 1 72 72 GLN C C 72 175.744 175.744 175.208 0.536 25919 9414 1 15 . 1 1 72 72 GLN CA C 72 56.409 56.409 56.622 -0.213 25919 9415 1 15 . 1 1 72 72 GLN CB C 72 25.959 25.959 26.002 -0.043 25919 9416 1 15 . 1 1 72 72 GLN H H 72 7.751 7.751 7.657 0.094 25919 9417 1 15 . 1 1 73 73 LEU N N 73 115.900 115.900 120.242 -4.342 25919 9418 1 15 . 1 1 73 73 LEU HA H 73 4.254 4.254 4.300 -0.046 25919 9419 1 15 . 1 1 73 73 LEU C C 73 178.568 178.568 176.318 2.250 25919 9420 1 15 . 1 1 73 73 LEU CA C 73 54.468 54.468 54.153 0.315 25919 9421 1 15 . 1 1 73 73 LEU CB C 73 42.050 42.050 41.509 0.541 25919 9422 1 15 . 1 1 73 73 LEU H H 73 7.573 7.573 7.531 0.042 25919 9423 1 15 . 1 1 74 74 ASN N N 74 122.154 122.154 123.213 -1.059 25919 9424 1 15 . 1 1 74 74 ASN HA H 74 4.684 4.684 4.649 0.035 25919 9425 1 15 . 1 1 74 74 ASN C C 74 174.122 174.122 176.524 -2.402 25919 9426 1 15 . 1 1 74 74 ASN CA C 74 52.724 52.724 52.792 -0.068 25919 9427 1 15 . 1 1 74 74 ASN CB C 74 39.579 39.579 39.786 -0.207 25919 9428 1 15 . 1 1 74 74 ASN H H 74 8.949 8.949 8.513 0.436 25919 9429 1 15 . 1 1 75 75 ALA N N 75 124.274 124.274 122.892 1.382 25919 9430 1 15 . 1 1 75 75 ALA HA H 75 3.972 3.972 4.098 -0.126 25919 9431 1 15 . 1 1 75 75 ALA C C 75 178.113 178.113 177.900 0.213 25919 9432 1 15 . 1 1 75 75 ALA CA C 75 54.900 54.900 54.568 0.333 25919 9433 1 15 . 1 1 75 75 ALA CB C 75 18.708 18.708 18.758 -0.050 25919 9434 1 15 . 1 1 75 75 ALA H H 75 8.690 8.690 8.649 0.041 25919 9435 1 15 . 1 1 76 76 ASN N N 76 112.911 112.911 114.474 -1.563 25919 9436 1 15 . 1 1 76 76 ASN HA H 76 4.589 4.589 4.651 -0.062 25919 9437 1 15 . 1 1 76 76 ASN C C 76 175.515 175.515 175.663 -0.148 25919 9438 1 15 . 1 1 76 76 ASN CA C 76 53.276 53.276 53.746 -0.470 25919 9439 1 15 . 1 1 76 76 ASN CB C 76 38.343 38.343 38.108 0.235 25919 9440 1 15 . 1 1 76 76 ASN H H 76 8.340 8.340 8.132 0.208 25919 9441 1 15 . 1 1 77 77 GLN N N 77 121.144 121.144 119.431 1.713 25919 9442 1 15 . 1 1 77 77 GLN HA H 77 4.287 4.287 4.463 -0.176 25919 9443 1 15 . 1 1 77 77 GLN C C 77 175.053 175.053 175.297 -0.244 25919 9444 1 15 . 1 1 77 77 GLN CA C 77 55.856 55.856 54.740 1.116 25919 9445 1 15 . 1 1 77 77 GLN CB C 77 30.320 30.320 28.830 1.490 25919 9446 1 15 . 1 1 77 77 GLN H H 77 7.546 7.546 7.734 -0.188 25919 9447 1 15 . 1 1 78 78 ALA N N 78 131.146 131.146 127.538 3.608 25919 9448 1 15 . 1 1 78 78 ALA HA H 78 4.179 4.179 4.308 -0.129 25919 9449 1 15 . 1 1 78 78 ALA C C 78 176.453 176.453 176.074 0.379 25919 9450 1 15 . 1 1 78 78 ALA CA C 78 52.852 52.852 52.187 0.665 25919 9451 1 15 . 1 1 78 78 ALA CB C 78 20.074 20.074 19.608 0.466 25919 9452 1 15 . 1 1 78 78 ALA H H 78 8.730 8.730 8.499 0.231 25919 9453 1 15 . 1 1 79 79 PHE N N 79 119.860 119.860 125.901 -6.041 25919 9454 1 15 . 1 1 79 79 PHE HA H 79 4.453 4.453 5.351 -0.898 25919 9455 1 15 . 1 1 79 79 PHE C C 79 171.834 171.834 172.543 -0.709 25919 9456 1 15 . 1 1 79 79 PHE CA C 79 59.115 59.115 57.257 1.858 25919 9457 1 15 . 1 1 79 79 PHE CB C 79 42.246 42.246 42.311 -0.065 25919 9458 1 15 . 1 1 79 79 PHE H H 79 7.601 7.601 8.088 -0.487 25919 9459 1 15 . 1 1 80 80 PHE N N 80 126.800 126.800 124.704 2.096 25919 9460 1 15 . 1 1 80 80 PHE HA H 80 4.396 4.396 4.679 -0.283 25919 9461 1 15 . 1 1 80 80 PHE C C 80 173.169 173.169 173.262 -0.093 25919 9462 1 15 . 1 1 80 80 PHE CA C 80 56.859 56.859 56.522 0.338 25919 9463 1 15 . 1 1 80 80 PHE CB C 80 41.946 41.946 43.068 -1.122 25919 9464 1 15 . 1 1 80 80 PHE H H 80 8.504 8.504 8.855 -0.351 25919 9465 1 15 . 1 1 81 81 LEU N N 81 122.590 122.590 123.280 -0.690 25919 9466 1 15 . 1 1 81 81 LEU HA H 81 4.902 4.902 4.393 0.509 25919 9467 1 15 . 1 1 81 81 LEU CA C 81 53.108 53.108 54.286 -1.178 25919 9468 1 15 . 1 1 81 81 LEU CB C 81 45.781 45.781 42.069 3.712 25919 9469 1 15 . 1 1 81 81 LEU H H 81 8.159 8.159 8.490 -0.331 25919 9470 1 15 . 1 1 82 82 LEU N N 82 126.414 126.414 126.614 -0.200 25919 9471 1 15 . 1 1 82 82 LEU HA H 82 4.807 4.807 4.625 0.182 25919 9472 1 15 . 1 1 82 82 LEU C C 82 174.204 174.204 176.493 -2.289 25919 9473 1 15 . 1 1 82 82 LEU CA C 82 54.200 54.200 53.779 0.421 25919 9474 1 15 . 1 1 82 82 LEU CB C 82 43.650 43.650 41.658 1.992 25919 9475 1 15 . 1 1 82 82 LEU H H 82 9.347 9.347 8.938 0.409 25919 9476 1 15 . 1 1 83 83 VAL N N 83 123.910 123.910 126.257 -2.347 25919 9477 1 15 . 1 1 83 83 VAL HA H 83 4.466 4.466 4.216 0.250 25919 9478 1 15 . 1 1 83 83 VAL C C 83 175.891 175.891 176.910 -1.019 25919 9479 1 15 . 1 1 83 83 VAL CA C 83 61.339 61.339 63.229 -1.890 25919 9480 1 15 . 1 1 83 83 VAL CB C 83 34.013 34.013 30.724 3.289 25919 9481 1 15 . 1 1 83 83 VAL H H 83 8.676 8.676 8.500 0.176 25919 9482 1 15 . 1 1 84 84 ASN N N 84 127.149 127.149 127.998 -0.849 25919 9483 1 15 . 1 1 84 84 ASN HA H 84 4.384 4.384 4.412 -0.028 25919 9484 1 15 . 1 1 84 84 ASN CA C 84 54.494 54.494 54.494 -0.000 25919 9485 1 15 . 1 1 84 84 ASN CB C 84 37.933 37.933 36.910 1.022 25919 9486 1 15 . 1 1 84 84 ASN H H 84 9.630 9.630 9.355 0.275 25919 9487 1 15 . 1 1 85 85 GLY N N 85 101.905 101.905 104.764 -2.859 25919 9488 1 15 . 1 1 85 85 GLY C C 85 175.112 175.112 173.696 1.416 25919 9489 1 15 . 1 1 85 85 GLY CA C 85 45.624 45.624 45.360 0.264 25919 9490 1 15 . 1 1 85 85 GLY H H 85 8.670 8.670 7.994 0.676 25919 9491 1 15 . 1 1 86 86 HIS N N 86 117.905 117.905 121.496 -3.591 25919 9492 1 15 . 1 1 86 86 HIS HA H 86 5.039 5.039 4.682 0.357 25919 9493 1 15 . 1 1 86 86 HIS CA C 86 53.890 53.890 54.437 -0.547 25919 9494 1 15 . 1 1 86 86 HIS CB C 86 30.888 30.888 31.164 -0.276 25919 9495 1 15 . 1 1 86 86 HIS H H 86 7.927 7.927 8.236 -0.309 25919 9496 1 15 . 1 1 87 87 SER N N 87 118.646 118.646 121.723 -3.077 25919 9497 1 15 . 1 1 87 87 SER HA H 87 4.397 4.397 4.245 0.152 25919 9498 1 15 . 1 1 87 87 SER C C 87 175.275 175.275 174.316 0.959 25919 9499 1 15 . 1 1 87 87 SER CA C 87 58.414 58.414 58.483 -0.069 25919 9500 1 15 . 1 1 87 87 SER CB C 87 63.772 63.772 63.657 0.115 25919 9501 1 15 . 1 1 87 87 SER H H 87 8.927 8.927 8.891 0.036 25919 9502 1 15 . 1 1 88 88 MET N N 88 126.013 126.013 126.611 -0.598 25919 9503 1 15 . 1 1 88 88 MET HA H 88 4.851 4.851 4.589 0.262 25919 9504 1 15 . 1 1 88 88 MET C C 88 178.796 178.796 176.575 2.221 25919 9505 1 15 . 1 1 88 88 MET CA C 88 54.727 54.727 55.240 -0.513 25919 9506 1 15 . 1 1 88 88 MET CB C 88 33.309 33.309 33.389 -0.080 25919 9507 1 15 . 1 1 88 88 MET H H 88 9.088 9.088 8.908 0.180 25919 9508 1 15 . 1 1 89 89 VAL N N 89 121.153 121.153 119.915 1.238 25919 9509 1 15 . 1 1 89 89 VAL HA H 89 4.057 4.057 3.824 0.233 25919 9510 1 15 . 1 1 89 89 VAL C C 89 176.695 176.695 176.301 0.394 25919 9511 1 15 . 1 1 89 89 VAL CA C 89 63.592 63.592 65.205 -1.613 25919 9512 1 15 . 1 1 89 89 VAL CB C 89 32.422 32.422 31.776 0.646 25919 9513 1 15 . 1 1 89 89 VAL H H 89 8.144 8.144 7.380 0.764 25919 9514 1 15 . 1 1 90 90 SER N N 90 116.778 116.778 113.404 3.374 25919 9515 1 15 . 1 1 90 90 SER HA H 90 4.561 4.561 4.337 0.224 25919 9516 1 15 . 1 1 90 90 SER C C 90 173.898 173.898 174.914 -1.016 25919 9517 1 15 . 1 1 90 90 SER CA C 90 57.895 57.895 59.037 -1.142 25919 9518 1 15 . 1 1 90 90 SER CB C 90 63.133 63.133 63.313 -0.180 25919 9519 1 15 . 1 1 90 90 SER H H 90 8.322 8.322 8.065 0.257 25919 9520 1 15 . 1 1 91 91 VAL N N 91 120.735 120.735 122.517 -1.782 25919 9521 1 15 . 1 1 91 91 VAL HA H 91 4.286 4.286 4.168 0.118 25919 9522 1 15 . 1 1 91 91 VAL CA C 91 62.846 62.846 62.101 0.745 25919 9523 1 15 . 1 1 91 91 VAL CB C 91 32.069 32.069 32.849 -0.780 25919 9524 1 15 . 1 1 91 91 VAL H H 91 8.036 8.036 7.424 0.612 25919 9525 1 15 . 1 1 92 92 SER N N 92 118.146 118.146 120.680 -2.534 25919 9526 1 15 . 1 1 92 92 SER HA H 92 4.549 4.549 4.514 0.035 25919 9527 1 15 . 1 1 92 92 SER CA C 92 57.813 57.813 57.809 0.004 25919 9528 1 15 . 1 1 92 92 SER CB C 92 63.488 63.488 62.984 0.504 25919 9529 1 15 . 1 1 92 92 SER H H 92 8.470 8.470 8.687 -0.217 25919 9530 1 15 . 1 1 93 93 THR N N 93 119.747 119.747 119.349 0.398 25919 9531 1 15 . 1 1 93 93 THR HA H 93 4.467 4.467 4.658 -0.191 25919 9532 1 15 . 1 1 93 93 THR CA C 93 61.005 61.005 60.979 0.026 25919 9533 1 15 . 1 1 93 93 THR CB C 93 70.592 70.592 69.607 0.985 25919 9534 1 15 . 1 1 93 93 THR H H 93 7.382 7.382 7.846 -0.464 25919 9535 1 15 . 1 1 94 94 PRO HA H 94 4.424 4.424 4.491 -0.067 25919 9536 1 15 . 1 1 94 94 PRO CA C 94 63.060 63.060 63.474 -0.414 25919 9537 1 15 . 1 1 94 94 PRO CB C 94 32.798 32.798 32.328 0.470 25919 9538 1 15 . 1 1 95 95 ILE N N 95 124.894 124.894 123.481 1.413 25919 9539 1 15 . 1 1 95 95 ILE HA H 95 3.984 3.984 3.920 0.064 25919 9540 1 15 . 1 1 95 95 ILE CA C 95 63.963 63.963 62.468 1.496 25919 9541 1 15 . 1 1 95 95 ILE CB C 95 38.200 38.200 38.216 -0.016 25919 9542 1 15 . 1 1 95 95 ILE H H 95 9.358 9.358 8.804 0.554 25919 9543 1 15 . 1 1 96 96 SER N N 96 117.523 117.523 115.814 1.709 25919 9544 1 15 . 1 1 96 96 SER HA H 96 4.004 4.004 4.372 -0.368 25919 9545 1 15 . 1 1 96 96 SER CA C 96 61.700 61.700 61.859 -0.160 25919 9546 1 15 . 1 1 96 96 SER CB C 96 61.400 61.400 62.838 -1.438 25919 9547 1 15 . 1 1 96 96 SER H H 96 8.202 8.202 8.220 -0.018 25919 9548 1 15 . 1 1 97 97 GLU N N 97 123.657 123.657 122.677 0.980 25919 9549 1 15 . 1 1 97 97 GLU HA H 97 4.282 4.282 4.217 0.065 25919 9550 1 15 . 1 1 97 97 GLU CA C 97 58.700 58.700 58.647 0.053 25919 9551 1 15 . 1 1 97 97 GLU CB C 97 29.800 29.800 29.335 0.465 25919 9552 1 15 . 1 1 97 97 GLU H H 97 7.301 7.301 7.765 -0.464 25919 9553 1 15 . 1 1 98 98 VAL N N 98 121.907 121.907 121.002 0.905 25919 9554 1 15 . 1 1 98 98 VAL HA H 98 3.797 3.797 3.662 0.135 25919 9555 1 15 . 1 1 98 98 VAL CA C 98 65.949 65.949 66.788 -0.839 25919 9556 1 15 . 1 1 98 98 VAL CB C 98 32.186 32.186 31.830 0.356 25919 9557 1 15 . 1 1 98 98 VAL H H 98 7.410 7.410 8.455 -1.045 25919 9558 1 15 . 1 1 99 99 TYR N N 99 119.526 119.526 121.378 -1.852 25919 9559 1 15 . 1 1 99 99 TYR HA H 99 4.016 4.016 4.060 -0.044 25919 9560 1 15 . 1 1 99 99 TYR C C 99 175.741 175.741 177.157 -1.416 25919 9561 1 15 . 1 1 99 99 TYR CA C 99 62.229 62.229 61.276 0.953 25919 9562 1 15 . 1 1 99 99 TYR CB C 99 38.967 38.967 38.275 0.692 25919 9563 1 15 . 1 1 99 99 TYR H H 99 9.071 9.071 8.376 0.695 25919 9564 1 15 . 1 1 100 100 GLU N N 100 114.405 114.405 117.665 -3.260 25919 9565 1 15 . 1 1 100 100 GLU HA H 100 3.850 3.850 3.589 0.261 25919 9566 1 15 . 1 1 100 100 GLU C C 100 178.094 178.094 178.492 -0.398 25919 9567 1 15 . 1 1 100 100 GLU CA C 100 58.920 58.920 58.359 0.561 25919 9568 1 15 . 1 1 100 100 GLU CB C 100 29.481 29.481 29.060 0.421 25919 9569 1 15 . 1 1 100 100 GLU H H 100 7.342 7.342 8.183 -0.841 25919 9570 1 15 . 1 1 101 101 SER N N 101 109.656 109.656 114.247 -4.591 25919 9571 1 15 . 1 1 101 101 SER HA H 101 4.529 4.529 4.399 0.130 25919 9572 1 15 . 1 1 101 101 SER C C 101 176.681 176.681 175.717 0.964 25919 9573 1 15 . 1 1 101 101 SER CA C 101 60.313 60.313 60.671 -0.358 25919 9574 1 15 . 1 1 101 101 SER CB C 101 64.703 64.703 63.989 0.714 25919 9575 1 15 . 1 1 101 101 SER H H 101 7.410 7.410 7.786 -0.376 25919 9576 1 15 . 1 1 102 102 GLU N N 102 117.283 117.283 118.503 -1.220 25919 9577 1 15 . 1 1 102 102 GLU HA H 102 4.721 4.721 4.584 0.137 25919 9578 1 15 . 1 1 102 102 GLU CA C 102 55.592 55.592 54.454 1.138 25919 9579 1 15 . 1 1 102 102 GLU CB C 102 30.564 30.564 30.194 0.370 25919 9580 1 15 . 1 1 102 102 GLU H H 102 8.500 8.500 8.136 0.364 25919 9581 1 15 . 1 1 103 103 LYS N N 103 118.772 118.772 120.558 -1.786 25919 9582 1 15 . 1 1 103 103 LYS HA H 103 4.179 4.179 4.206 -0.027 25919 9583 1 15 . 1 1 103 103 LYS C C 103 175.032 175.032 176.896 -1.864 25919 9584 1 15 . 1 1 103 103 LYS CA C 103 57.154 57.154 57.856 -0.702 25919 9585 1 15 . 1 1 103 103 LYS CB C 103 32.238 32.238 32.180 0.058 25919 9586 1 15 . 1 1 103 103 LYS H H 103 7.777 7.777 7.615 0.162 25919 9587 1 15 . 1 1 104 104 ASP N N 104 124.024 124.024 125.037 -1.013 25919 9588 1 15 . 1 1 104 104 ASP HA H 104 5.032 5.032 4.728 0.304 25919 9589 1 15 . 1 1 104 104 ASP C C 104 177.548 177.548 177.167 0.381 25919 9590 1 15 . 1 1 104 104 ASP CA C 104 53.882 53.882 53.281 0.602 25919 9591 1 15 . 1 1 104 104 ASP CB C 104 43.420 43.420 42.147 1.273 25919 9592 1 15 . 1 1 104 104 ASP H H 104 9.030 9.030 8.287 0.743 25919 9593 1 15 . 1 1 105 105 GLU N N 105 125.669 125.669 118.546 7.123 25919 9594 1 15 . 1 1 105 105 GLU HA H 105 4.179 4.179 4.212 -0.033 25919 9595 1 15 . 1 1 105 105 GLU CA C 105 59.526 59.526 58.917 0.609 25919 9596 1 15 . 1 1 105 105 GLU CB C 105 30.036 30.036 29.811 0.225 25919 9597 1 15 . 1 1 105 105 GLU H H 105 8.894 8.894 8.756 0.138 25919 9598 1 15 . 1 1 106 106 ASP N N 106 119.257 119.257 114.896 4.361 25919 9599 1 15 . 1 1 106 106 ASP HA H 106 4.180 4.180 4.918 -0.738 25919 9600 1 15 . 1 1 106 106 ASP C C 106 176.018 176.018 175.603 0.415 25919 9601 1 15 . 1 1 106 106 ASP CA C 106 54.750 54.750 54.396 0.354 25919 9602 1 15 . 1 1 106 106 ASP CB C 106 40.250 40.250 43.845 -3.595 25919 9603 1 15 . 1 1 106 106 ASP H H 106 9.838 9.838 8.773 1.065 25919 9604 1 15 . 1 1 107 107 GLY N N 107 106.307 106.307 107.082 -0.775 25919 9605 1 15 . 1 1 107 107 GLY CA C 107 45.125 45.125 45.166 -0.041 25919 9606 1 15 . 1 1 107 107 GLY H H 107 7.945 7.945 8.333 -0.388 25919 9607 1 15 . 1 1 108 108 PHE N N 108 124.389 124.389 120.646 3.743 25919 9608 1 15 . 1 1 108 108 PHE HA H 108 4.670 4.670 4.547 0.123 25919 9609 1 15 . 1 1 108 108 PHE C C 108 179.501 179.501 175.495 4.006 25919 9610 1 15 . 1 1 108 108 PHE CA C 108 60.288 60.288 61.184 -0.897 25919 9611 1 15 . 1 1 108 108 PHE CB C 108 40.506 40.506 39.888 0.618 25919 9612 1 15 . 1 1 108 108 PHE H H 108 9.739 9.739 8.565 1.174 25919 9613 1 15 . 1 1 109 109 LEU N N 109 120.814 120.814 113.686 7.128 25919 9614 1 15 . 1 1 109 109 LEU HA H 109 5.038 5.038 4.867 0.171 25919 9615 1 15 . 1 1 109 109 LEU CA C 109 53.479 53.479 53.780 -0.301 25919 9616 1 15 . 1 1 109 109 LEU CB C 109 45.197 45.197 46.242 -1.046 25919 9617 1 15 . 1 1 109 109 LEU H H 109 7.968 7.968 7.731 0.237 25919 9618 1 15 . 1 1 110 110 TYR N N 110 127.403 127.403 119.732 7.671 25919 9619 1 15 . 1 1 110 110 TYR HA H 110 4.907 4.907 5.216 -0.309 25919 9620 1 15 . 1 1 110 110 TYR CA C 110 59.259 59.259 56.943 2.317 25919 9621 1 15 . 1 1 110 110 TYR CB C 110 39.469 39.469 41.914 -2.445 25919 9622 1 15 . 1 1 110 110 TYR H H 110 9.349 9.349 9.028 0.321 25919 9623 1 15 . 1 1 111 111 MET N N 111 120.344 120.344 122.360 -2.016 25919 9624 1 15 . 1 1 111 111 MET HA H 111 5.543 5.543 5.122 0.421 25919 9625 1 15 . 1 1 111 111 MET CA C 111 54.341 54.341 54.731 -0.390 25919 9626 1 15 . 1 1 111 111 MET CB C 111 36.894 36.894 35.504 1.390 25919 9627 1 15 . 1 1 111 111 MET H H 111 9.575 9.575 9.362 0.213 25919 9628 1 15 . 1 1 112 112 VAL N N 112 121.026 121.026 125.953 -4.927 25919 9629 1 15 . 1 1 112 112 VAL HA H 112 5.938 5.938 4.910 1.028 25919 9630 1 15 . 1 1 112 112 VAL C C 112 176.696 176.696 174.414 2.282 25919 9631 1 15 . 1 1 112 112 VAL CA C 112 59.068 59.068 60.388 -1.320 25919 9632 1 15 . 1 1 112 112 VAL CB C 112 36.180 36.180 34.277 1.903 25919 9633 1 15 . 1 1 112 112 VAL H H 112 8.730 8.730 8.808 -0.078 25919 9634 1 15 . 1 1 113 113 TYR N N 113 119.995 119.995 127.233 -7.238 25919 9635 1 15 . 1 1 113 113 TYR HA H 113 6.143 6.143 5.753 0.390 25919 9636 1 15 . 1 1 113 113 TYR C C 113 173.533 173.533 173.629 -0.096 25919 9637 1 15 . 1 1 113 113 TYR CA C 113 54.165 54.165 54.480 -0.315 25919 9638 1 15 . 1 1 113 113 TYR CB C 113 43.667 43.667 41.097 2.570 25919 9639 1 15 . 1 1 113 113 TYR H H 113 8.172 8.172 9.181 -1.009 25919 9640 1 15 . 1 1 114 114 ALA N N 114 120.454 120.454 125.792 -5.338 25919 9641 1 15 . 1 1 114 114 ALA HA H 114 4.750 4.750 4.918 -0.168 25919 9642 1 15 . 1 1 114 114 ALA C C 114 176.007 176.007 176.218 -0.211 25919 9643 1 15 . 1 1 114 114 ALA CA C 114 51.356 51.356 51.260 0.096 25919 9644 1 15 . 1 1 114 114 ALA CB C 114 24.623 24.623 22.213 2.410 25919 9645 1 15 . 1 1 114 114 ALA H H 114 8.499 8.499 8.615 -0.116 25919 9646 1 15 . 1 1 115 115 SER N N 115 115.279 115.279 113.714 1.565 25919 9647 1 15 . 1 1 115 115 SER HA H 115 4.505 4.505 4.785 -0.280 25919 9648 1 15 . 1 1 115 115 SER C C 115 172.860 172.860 173.916 -1.056 25919 9649 1 15 . 1 1 115 115 SER CA C 115 58.837 58.837 59.235 -0.398 25919 9650 1 15 . 1 1 115 115 SER CB C 115 63.798 63.798 63.401 0.397 25919 9651 1 15 . 1 1 115 115 SER H H 115 9.823 9.823 9.107 0.717 25919 9652 1 15 . 1 1 116 116 GLN N N 116 117.398 117.398 118.146 -0.748 25919 9653 1 15 . 1 1 116 116 GLN HA H 116 4.453 4.453 4.122 0.331 25919 9654 1 15 . 1 1 116 116 GLN C C 116 173.181 173.181 173.570 -0.389 25919 9655 1 15 . 1 1 116 116 GLN CA C 116 54.024 54.024 54.394 -0.370 25919 9656 1 15 . 1 1 116 116 GLN CB C 116 32.179 32.179 30.088 2.091 25919 9657 1 15 . 1 1 116 116 GLN H H 116 7.165 7.165 7.291 -0.126 25919 9658 1 15 . 1 1 117 117 GLU N N 117 118.885 118.885 120.985 -2.100 25919 9659 1 15 . 1 1 117 117 GLU HA H 117 3.224 3.224 3.839 -0.615 25919 9660 1 15 . 1 1 117 117 GLU C C 117 175.451 175.451 175.629 -0.178 25919 9661 1 15 . 1 1 117 117 GLU CA C 117 56.917 56.917 57.413 -0.496 25919 9662 1 15 . 1 1 117 117 GLU CB C 117 30.206 30.206 29.756 0.450 25919 9663 1 15 . 1 1 117 117 GLU H H 117 7.873 7.873 8.143 -0.270 25919 9664 1 15 . 1 1 118 118 THR N N 118 110.883 110.883 112.896 -2.013 25919 9665 1 15 . 1 1 118 118 THR HA H 118 4.074 4.074 4.301 -0.227 25919 9666 1 15 . 1 1 118 118 THR C C 118 173.234 173.234 173.209 0.025 25919 9667 1 15 . 1 1 118 118 THR CA C 118 60.300 60.300 60.957 -0.657 25919 9668 1 15 . 1 1 118 118 THR CB C 118 70.118 70.118 70.076 0.042 25919 9669 1 15 . 1 1 118 118 THR H H 118 6.988 6.988 7.233 -0.245 25919 9670 1 15 . 1 1 119 119 PHE N N 119 122.773 122.773 122.414 0.359 25919 9671 1 15 . 1 1 119 119 PHE HA H 119 4.397 4.397 4.435 -0.038 25919 9672 1 15 . 1 1 119 119 PHE C C 119 175.045 175.045 176.759 -1.714 25919 9673 1 15 . 1 1 119 119 PHE CA C 119 56.810 56.810 58.298 -1.488 25919 9674 1 15 . 1 1 119 119 PHE CB C 119 39.349 39.349 39.202 0.147 25919 9675 1 15 . 1 1 119 119 PHE H H 119 8.122 8.122 8.619 -0.497 25919 9676 1 16 . 1 1 2 2 PRO HA H 2 4.424 4.424 4.582 -0.158 25919 9677 1 16 . 1 1 2 2 PRO C C 2 176.917 176.917 175.928 0.989 25919 9678 1 16 . 1 1 2 2 PRO CA C 2 63.418 63.418 63.439 -0.021 25919 9679 1 16 . 1 1 2 2 PRO CB C 2 32.160 32.160 31.479 0.681 25919 9680 1 16 . 1 1 3 3 SER N N 3 116.273 116.273 118.368 -2.095 25919 9681 1 16 . 1 1 3 3 SER HA H 3 4.389 4.389 4.540 -0.151 25919 9682 1 16 . 1 1 3 3 SER C C 3 174.762 174.762 173.876 0.886 25919 9683 1 16 . 1 1 3 3 SER CA C 3 58.472 58.472 56.906 1.567 25919 9684 1 16 . 1 1 3 3 SER CB C 3 63.913 63.913 64.410 -0.497 25919 9685 1 16 . 1 1 3 3 SER H H 3 8.366 8.366 7.870 0.496 25919 9686 1 16 . 1 1 4 4 GLU N N 4 123.959 123.959 120.236 3.723 25919 9687 1 16 . 1 1 4 4 GLU HA H 4 4.289 4.289 4.288 0.001 25919 9688 1 16 . 1 1 4 4 GLU C C 4 176.545 176.545 176.385 0.160 25919 9689 1 16 . 1 1 4 4 GLU CA C 4 56.785 56.785 57.851 -1.066 25919 9690 1 16 . 1 1 4 4 GLU CB C 4 30.200 30.200 29.966 0.234 25919 9691 1 16 . 1 1 4 4 GLU H H 4 8.513 8.513 8.567 -0.054 25919 9692 1 16 . 1 1 5 5 LYS N N 5 122.165 122.165 117.838 4.327 25919 9693 1 16 . 1 1 5 5 LYS HA H 5 4.508 4.508 4.372 0.136 25919 9694 1 16 . 1 1 5 5 LYS C C 5 177.178 177.178 176.739 0.439 25919 9695 1 16 . 1 1 5 5 LYS CA C 5 56.000 56.000 55.377 0.623 25919 9696 1 16 . 1 1 5 5 LYS CB C 5 34.758 34.758 32.577 2.181 25919 9697 1 16 . 1 1 5 5 LYS H H 5 8.198 8.198 7.886 0.312 25919 9698 1 16 . 1 1 6 6 THR N N 6 115.586 115.586 114.790 0.796 25919 9699 1 16 . 1 1 6 6 THR HA H 6 4.426 4.426 4.352 0.074 25919 9700 1 16 . 1 1 6 6 THR C C 6 175.570 175.570 176.569 -0.999 25919 9701 1 16 . 1 1 6 6 THR CA C 6 61.120 61.120 61.370 -0.250 25919 9702 1 16 . 1 1 6 6 THR CB C 6 69.871 69.871 69.964 -0.093 25919 9703 1 16 . 1 1 6 6 THR H H 6 8.423 8.423 8.289 0.134 25919 9704 1 16 . 1 1 7 7 PHE N N 7 126.100 126.100 124.843 1.257 25919 9705 1 16 . 1 1 7 7 PHE HA H 7 3.935 3.935 4.337 -0.402 25919 9706 1 16 . 1 1 7 7 PHE CA C 7 63.687 63.687 60.056 3.631 25919 9707 1 16 . 1 1 7 7 PHE CB C 7 39.656 39.656 38.350 1.306 25919 9708 1 16 . 1 1 7 7 PHE H H 7 10.276 10.276 9.141 1.135 25919 9709 1 16 . 1 1 8 8 LYS N N 8 115.026 115.026 119.735 -4.709 25919 9710 1 16 . 1 1 8 8 LYS HA H 8 3.800 3.800 3.515 0.285 25919 9711 1 16 . 1 1 8 8 LYS CA C 8 59.944 59.944 57.159 2.785 25919 9712 1 16 . 1 1 8 8 LYS CB C 8 33.852 33.852 31.162 2.690 25919 9713 1 16 . 1 1 8 8 LYS H H 8 8.707 8.707 7.018 1.689 25919 9714 1 16 . 1 1 9 9 GLN N N 9 113.774 113.774 116.757 -2.983 25919 9715 1 16 . 1 1 9 9 GLN HA H 9 4.178 4.178 4.072 0.106 25919 9716 1 16 . 1 1 9 9 GLN C C 9 173.193 173.193 177.242 -4.049 25919 9717 1 16 . 1 1 9 9 GLN CA C 9 56.741 56.741 57.836 -1.095 25919 9718 1 16 . 1 1 9 9 GLN CB C 9 30.065 30.065 28.945 1.120 25919 9719 1 16 . 1 1 9 9 GLN H H 9 7.343 7.343 7.435 -0.092 25919 9720 1 16 . 1 1 10 10 ARG N N 10 119.156 119.156 116.804 2.352 25919 9721 1 16 . 1 1 10 10 ARG HA H 10 4.248 4.248 4.535 -0.287 25919 9722 1 16 . 1 1 10 10 ARG CA C 10 57.555 57.555 56.234 1.321 25919 9723 1 16 . 1 1 10 10 ARG CB C 10 31.771 31.771 31.867 -0.096 25919 9724 1 16 . 1 1 10 10 ARG H H 10 7.912 7.912 7.816 0.096 25919 9725 1 16 . 1 1 11 11 ARG N N 11 120.777 120.777 122.656 -1.879 25919 9726 1 16 . 1 1 11 11 ARG HA H 11 4.685 4.685 4.584 0.101 25919 9727 1 16 . 1 1 11 11 ARG CA C 11 53.161 53.161 55.461 -2.300 25919 9728 1 16 . 1 1 11 11 ARG CB C 11 32.773 32.773 29.624 3.149 25919 9729 1 16 . 1 1 11 11 ARG H H 11 7.341 7.341 7.967 -0.626 25919 9730 1 16 . 1 1 12 12 THR N N 12 116.696 116.696 116.250 0.446 25919 9731 1 16 . 1 1 12 12 THR HA H 12 4.358 4.358 4.402 -0.044 25919 9732 1 16 . 1 1 12 12 THR C C 12 175.056 175.056 175.574 -0.518 25919 9733 1 16 . 1 1 12 12 THR CA C 12 61.795 61.795 60.771 1.024 25919 9734 1 16 . 1 1 12 12 THR CB C 12 71.050 71.050 70.353 0.697 25919 9735 1 16 . 1 1 12 12 THR H H 12 8.855 8.855 7.885 0.970 25919 9736 1 16 . 1 1 13 13 PHE N N 13 123.894 123.894 120.671 3.223 25919 9737 1 16 . 1 1 13 13 PHE HA H 13 4.043 4.043 4.252 -0.209 25919 9738 1 16 . 1 1 13 13 PHE C C 13 176.234 176.234 178.007 -1.773 25919 9739 1 16 . 1 1 13 13 PHE CA C 13 62.947 62.947 62.291 0.655 25919 9740 1 16 . 1 1 13 13 PHE CB C 13 39.571 39.571 38.879 0.692 25919 9741 1 16 . 1 1 13 13 PHE H H 13 9.221 9.221 8.883 0.338 25919 9742 1 16 . 1 1 14 14 GLU N N 14 116.516 116.516 117.423 -0.907 25919 9743 1 16 . 1 1 14 14 GLU HA H 14 3.812 3.812 4.106 -0.294 25919 9744 1 16 . 1 1 14 14 GLU CA C 14 60.699 60.699 59.654 1.045 25919 9745 1 16 . 1 1 14 14 GLU CB C 14 28.943 28.943 28.810 0.133 25919 9746 1 16 . 1 1 14 14 GLU H H 14 9.002 9.002 8.318 0.684 25919 9747 1 16 . 1 1 15 15 GLN N N 15 119.291 119.291 118.636 0.655 25919 9748 1 16 . 1 1 15 15 GLN HA H 15 4.024 4.024 4.156 -0.132 25919 9749 1 16 . 1 1 15 15 GLN C C 15 175.263 175.263 178.789 -3.526 25919 9750 1 16 . 1 1 15 15 GLN CA C 15 58.800 58.800 58.352 0.448 25919 9751 1 16 . 1 1 15 15 GLN CB C 15 29.300 29.300 28.313 0.987 25919 9752 1 16 . 1 1 15 15 GLN H H 15 7.706 7.706 7.754 -0.048 25919 9753 1 16 . 1 1 16 16 ARG N N 16 122.883 122.883 119.813 3.070 25919 9754 1 16 . 1 1 16 16 ARG HA H 16 4.235 4.235 4.221 0.015 25919 9755 1 16 . 1 1 16 16 ARG CA C 16 61.660 61.660 59.680 1.980 25919 9756 1 16 . 1 1 16 16 ARG CB C 16 30.877 30.877 30.282 0.595 25919 9757 1 16 . 1 1 16 16 ARG H H 16 8.567 8.567 8.353 0.214 25919 9758 1 16 . 1 1 17 17 VAL N N 17 118.523 118.523 120.309 -1.786 25919 9759 1 16 . 1 1 17 17 VAL HA H 17 3.865 3.865 3.769 0.096 25919 9760 1 16 . 1 1 17 17 VAL C C 17 174.213 174.213 178.016 -3.803 25919 9761 1 16 . 1 1 17 17 VAL CA C 17 65.550 65.550 66.951 -1.401 25919 9762 1 16 . 1 1 17 17 VAL CB C 17 32.171 32.171 31.819 0.352 25919 9763 1 16 . 1 1 17 17 VAL H H 17 8.430 8.430 8.711 -0.281 25919 9764 1 16 . 1 1 18 18 GLU N N 18 120.170 120.170 119.549 0.621 25919 9765 1 16 . 1 1 18 18 GLU HA H 18 4.212 4.212 3.982 0.230 25919 9766 1 16 . 1 1 18 18 GLU C C 18 175.758 175.758 178.824 -3.066 25919 9767 1 16 . 1 1 18 18 GLU CA C 18 58.488 58.488 59.468 -0.980 25919 9768 1 16 . 1 1 18 18 GLU CB C 18 29.360 29.360 29.022 0.338 25919 9769 1 16 . 1 1 18 18 GLU H H 18 7.423 7.423 7.683 -0.260 25919 9770 1 16 . 1 1 19 19 ASP N N 19 121.273 121.273 120.116 1.157 25919 9771 1 16 . 1 1 19 19 ASP HA H 19 4.384 4.384 4.428 -0.044 25919 9772 1 16 . 1 1 19 19 ASP C C 19 177.016 177.016 178.772 -1.756 25919 9773 1 16 . 1 1 19 19 ASP CA C 19 56.900 56.900 57.220 -0.320 25919 9774 1 16 . 1 1 19 19 ASP CB C 19 41.884 41.884 40.890 0.994 25919 9775 1 16 . 1 1 19 19 ASP H H 19 7.955 7.955 8.004 -0.049 25919 9776 1 16 . 1 1 20 20 VAL N N 20 119.523 119.523 120.182 -0.659 25919 9777 1 16 . 1 1 20 20 VAL HA H 20 3.232 3.232 3.533 -0.301 25919 9778 1 16 . 1 1 20 20 VAL C C 20 173.876 173.876 178.008 -4.132 25919 9779 1 16 . 1 1 20 20 VAL CA C 20 66.128 66.128 65.855 0.273 25919 9780 1 16 . 1 1 20 20 VAL CB C 20 31.099 31.099 31.403 -0.304 25919 9781 1 16 . 1 1 20 20 VAL H H 20 7.818 7.818 8.520 -0.702 25919 9782 1 16 . 1 1 21 21 ARG N N 21 120.310 120.310 119.345 0.965 25919 9783 1 16 . 1 1 21 21 ARG HA H 21 3.803 3.803 3.959 -0.156 25919 9784 1 16 . 1 1 21 21 ARG CA C 21 59.934 59.934 59.923 0.011 25919 9785 1 16 . 1 1 21 21 ARG CB C 21 30.076 30.076 30.194 -0.118 25919 9786 1 16 . 1 1 21 21 ARG H H 21 8.037 8.037 7.619 0.418 25919 9787 1 16 . 1 1 22 22 LEU N N 22 118.660 118.660 121.303 -2.643 25919 9788 1 16 . 1 1 22 22 LEU HA H 22 4.094 4.094 3.938 0.156 25919 9789 1 16 . 1 1 22 22 LEU C C 22 177.626 177.626 178.986 -1.360 25919 9790 1 16 . 1 1 22 22 LEU CA C 22 57.738 57.738 58.240 -0.502 25919 9791 1 16 . 1 1 22 22 LEU CB C 22 42.222 42.222 41.817 0.405 25919 9792 1 16 . 1 1 22 22 LEU H H 22 8.050 8.050 8.463 -0.413 25919 9793 1 16 . 1 1 23 23 ILE N N 23 122.825 122.825 119.493 3.332 25919 9794 1 16 . 1 1 23 23 ILE HA H 23 4.122 4.122 3.663 0.459 25919 9795 1 16 . 1 1 23 23 ILE C C 23 176.226 176.226 177.440 -1.214 25919 9796 1 16 . 1 1 23 23 ILE CA C 23 61.243 61.243 64.007 -2.764 25919 9797 1 16 . 1 1 23 23 ILE CB C 23 38.268 38.268 37.497 0.771 25919 9798 1 16 . 1 1 23 23 ILE H H 23 8.390 8.390 8.666 -0.276 25919 9799 1 16 . 1 1 24 24 ARG N N 24 122.365 122.365 118.717 3.648 25919 9800 1 16 . 1 1 24 24 ARG HA H 24 4.017 4.017 4.030 -0.013 25919 9801 1 16 . 1 1 24 24 ARG CA C 24 57.684 57.684 57.888 -0.204 25919 9802 1 16 . 1 1 24 24 ARG CB C 24 28.817 28.817 29.400 -0.583 25919 9803 1 16 . 1 1 24 24 ARG H H 24 8.540 8.540 7.646 0.894 25919 9804 1 16 . 1 1 25 25 GLU N N 25 118.383 118.383 119.053 -0.670 25919 9805 1 16 . 1 1 25 25 GLU HA H 25 4.044 4.044 4.118 -0.074 25919 9806 1 16 . 1 1 25 25 GLU CA C 25 58.680 58.680 58.423 0.257 25919 9807 1 16 . 1 1 25 25 GLU CB C 25 29.850 29.850 29.529 0.321 25919 9808 1 16 . 1 1 25 25 GLU H H 25 7.287 7.287 7.921 -0.634 25919 9809 1 16 . 1 1 26 26 GLN N N 26 117.165 117.165 117.457 -0.292 25919 9810 1 16 . 1 1 26 26 GLN HA H 26 3.948 3.948 4.069 -0.121 25919 9811 1 16 . 1 1 26 26 GLN C C 26 176.221 176.221 177.012 -0.791 25919 9812 1 16 . 1 1 26 26 GLN CA C 26 57.638 57.638 57.441 0.197 25919 9813 1 16 . 1 1 26 26 GLN CB C 26 30.320 30.320 29.266 1.054 25919 9814 1 16 . 1 1 26 26 GLN H H 26 7.423 7.423 8.104 -0.681 25919 9815 1 16 . 1 1 27 27 HIS N N 27 117.140 117.140 117.672 -0.532 25919 9816 1 16 . 1 1 27 27 HIS HA H 27 4.866 4.866 5.026 -0.160 25919 9817 1 16 . 1 1 27 27 HIS CA C 27 53.305 53.305 52.439 0.866 25919 9818 1 16 . 1 1 27 27 HIS CB C 27 30.917 30.917 29.492 1.425 25919 9819 1 16 . 1 1 27 27 HIS H H 27 8.254 8.254 8.259 -0.005 25919 9820 1 16 . 1 1 28 28 PRO HA H 28 4.609 4.609 4.400 0.209 25919 9821 1 16 . 1 1 28 28 PRO CA C 28 64.881 64.881 64.676 0.205 25919 9822 1 16 . 1 1 28 28 PRO CB C 28 32.554 32.554 32.106 0.448 25919 9823 1 16 . 1 1 29 29 THR N N 29 107.339 107.339 108.702 -1.363 25919 9824 1 16 . 1 1 29 29 THR HA H 29 4.644 4.644 4.219 0.425 25919 9825 1 16 . 1 1 29 29 THR C C 29 172.933 172.933 174.309 -1.376 25919 9826 1 16 . 1 1 29 29 THR CA C 29 60.600 60.600 62.932 -2.332 25919 9827 1 16 . 1 1 29 29 THR CB C 29 68.520 68.520 68.560 -0.040 25919 9828 1 16 . 1 1 29 29 THR H H 29 7.764 7.764 8.450 -0.686 25919 9829 1 16 . 1 1 30 30 LYS N N 30 118.273 118.273 120.790 -2.517 25919 9830 1 16 . 1 1 30 30 LYS HA H 30 4.926 4.926 5.076 -0.150 25919 9831 1 16 . 1 1 30 30 LYS C C 30 175.010 175.010 174.712 0.298 25919 9832 1 16 . 1 1 30 30 LYS CA C 30 53.740 53.740 54.835 -1.095 25919 9833 1 16 . 1 1 30 30 LYS CB C 30 36.445 36.445 35.677 0.768 25919 9834 1 16 . 1 1 30 30 LYS H H 30 7.478 7.478 7.764 -0.286 25919 9835 1 16 . 1 1 31 31 ILE N N 31 123.498 123.498 121.496 2.002 25919 9836 1 16 . 1 1 31 31 ILE HA H 31 4.139 4.139 4.315 -0.176 25919 9837 1 16 . 1 1 31 31 ILE CA C 31 54.669 54.669 56.179 -1.510 25919 9838 1 16 . 1 1 31 31 ILE CB C 31 38.427 38.427 39.386 -0.959 25919 9839 1 16 . 1 1 31 31 ILE H H 31 9.235 9.235 8.773 0.462 25919 9840 1 16 . 1 1 32 32 PRO HA H 32 5.212 5.212 4.640 0.572 25919 9841 1 16 . 1 1 32 32 PRO C C 32 174.832 174.832 175.566 -0.734 25919 9842 1 16 . 1 1 32 32 PRO CA C 32 61.678 61.678 62.190 -0.512 25919 9843 1 16 . 1 1 32 32 PRO CB C 32 30.993 30.993 31.376 -0.383 25919 9844 1 16 . 1 1 33 33 VAL N N 33 124.964 124.964 124.275 0.689 25919 9845 1 16 . 1 1 33 33 VAL HA H 33 5.234 5.234 4.972 0.262 25919 9846 1 16 . 1 1 33 33 VAL CA C 33 59.611 59.611 60.489 -0.878 25919 9847 1 16 . 1 1 33 33 VAL CB C 33 35.711 35.711 35.562 0.148 25919 9848 1 16 . 1 1 33 33 VAL H H 33 9.289 9.289 8.782 0.507 25919 9849 1 16 . 1 1 34 34 ILE N N 34 127.908 127.908 126.132 1.776 25919 9850 1 16 . 1 1 34 34 ILE HA H 34 4.742 4.742 3.842 0.900 25919 9851 1 16 . 1 1 34 34 ILE CA C 34 56.330 56.330 58.617 -2.287 25919 9852 1 16 . 1 1 34 34 ILE CB C 34 36.629 36.629 37.781 -1.152 25919 9853 1 16 . 1 1 34 34 ILE H H 34 8.594 8.594 8.776 -0.182 25919 9854 1 16 . 1 1 35 35 ILE N N 35 125.405 125.405 126.802 -1.397 25919 9855 1 16 . 1 1 35 35 ILE HA H 35 4.879 4.879 4.844 0.035 25919 9856 1 16 . 1 1 35 35 ILE C C 35 176.126 176.126 173.923 2.203 25919 9857 1 16 . 1 1 35 35 ILE CA C 35 60.923 60.923 59.226 1.697 25919 9858 1 16 . 1 1 35 35 ILE CB C 35 38.968 38.968 41.185 -2.217 25919 9859 1 16 . 1 1 35 35 ILE H H 35 8.545 8.545 7.941 0.604 25919 9860 1 16 . 1 1 36 36 GLU N N 36 124.153 124.153 127.218 -3.065 25919 9861 1 16 . 1 1 36 36 GLU HA H 36 4.789 4.789 4.803 -0.014 25919 9862 1 16 . 1 1 36 36 GLU C C 36 173.645 173.645 174.762 -1.117 25919 9863 1 16 . 1 1 36 36 GLU CA C 36 54.282 54.282 54.143 0.139 25919 9864 1 16 . 1 1 36 36 GLU CB C 36 35.401 35.401 34.333 1.068 25919 9865 1 16 . 1 1 36 36 GLU H H 36 8.363 8.363 8.250 0.113 25919 9866 1 16 . 1 1 37 37 ARG N N 37 123.957 123.957 127.709 -3.752 25919 9867 1 16 . 1 1 37 37 ARG HA H 37 2.804 2.804 3.394 -0.590 25919 9868 1 16 . 1 1 37 37 ARG C C 37 176.456 176.456 175.973 0.483 25919 9869 1 16 . 1 1 37 37 ARG CA C 37 56.120 56.120 56.584 -0.464 25919 9870 1 16 . 1 1 37 37 ARG CB C 37 31.500 31.500 30.297 1.203 25919 9871 1 16 . 1 1 37 37 ARG H H 37 8.853 8.853 8.741 0.112 25919 9872 1 16 . 1 1 38 38 TYR N N 38 129.636 129.636 128.139 1.497 25919 9873 1 16 . 1 1 38 38 TYR HA H 38 4.311 4.311 4.376 -0.065 25919 9874 1 16 . 1 1 38 38 TYR CA C 38 57.907 57.907 58.688 -0.781 25919 9875 1 16 . 1 1 38 38 TYR CB C 38 39.567 39.567 39.777 -0.210 25919 9876 1 16 . 1 1 38 38 TYR H H 38 8.663 8.663 8.625 0.038 25919 9877 1 16 . 1 1 39 39 LYS N N 39 130.772 130.772 128.180 2.592 25919 9878 1 16 . 1 1 39 39 LYS HA H 39 3.848 3.848 3.820 0.028 25919 9879 1 16 . 1 1 39 39 LYS CA C 39 58.986 58.986 58.323 0.663 25919 9880 1 16 . 1 1 39 39 LYS CB C 39 31.777 31.777 31.795 -0.018 25919 9881 1 16 . 1 1 39 39 LYS H H 39 8.389 8.389 8.575 -0.186 25919 9882 1 16 . 1 1 40 40 GLY N N 40 106.013 106.013 105.922 0.091 25919 9883 1 16 . 1 1 40 40 GLY C C 40 173.407 173.407 173.945 -0.538 25919 9884 1 16 . 1 1 40 40 GLY CA C 40 44.796 44.796 44.517 0.279 25919 9885 1 16 . 1 1 40 40 GLY H H 40 5.643 5.643 6.583 -0.940 25919 9886 1 16 . 1 1 41 41 GLU N N 41 123.519 123.519 119.918 3.601 25919 9887 1 16 . 1 1 41 41 GLU HA H 41 4.265 4.265 4.461 -0.196 25919 9888 1 16 . 1 1 41 41 GLU C C 41 176.231 176.231 176.089 0.142 25919 9889 1 16 . 1 1 41 41 GLU CA C 41 56.365 56.365 56.177 0.188 25919 9890 1 16 . 1 1 41 41 GLU CB C 41 31.077 31.077 30.355 0.722 25919 9891 1 16 . 1 1 41 41 GLU H H 41 7.464 7.464 7.422 0.042 25919 9892 1 16 . 1 1 42 42 LYS N N 42 124.405 124.405 123.031 1.374 25919 9893 1 16 . 1 1 42 42 LYS HA H 42 4.669 4.669 4.159 0.510 25919 9894 1 16 . 1 1 42 42 LYS C C 42 177.170 177.170 176.754 0.416 25919 9895 1 16 . 1 1 42 42 LYS CA C 42 55.750 55.750 56.909 -1.159 25919 9896 1 16 . 1 1 42 42 LYS CB C 42 34.929 34.929 30.976 3.954 25919 9897 1 16 . 1 1 42 42 LYS H H 42 8.895 8.895 8.509 0.386 25919 9898 1 16 . 1 1 43 43 GLN N N 43 119.903 119.903 117.664 2.239 25919 9899 1 16 . 1 1 43 43 GLN HA H 43 4.541 4.541 4.144 0.397 25919 9900 1 16 . 1 1 43 43 GLN C C 43 177.260 177.260 176.665 0.595 25919 9901 1 16 . 1 1 43 43 GLN CA C 43 57.566 57.566 56.838 0.728 25919 9902 1 16 . 1 1 43 43 GLN CB C 43 30.620 30.620 29.112 1.508 25919 9903 1 16 . 1 1 43 43 GLN H H 43 8.459 8.459 7.703 0.756 25919 9904 1 16 . 1 1 44 44 LEU N N 44 121.272 121.272 121.582 -0.310 25919 9905 1 16 . 1 1 44 44 LEU HA H 44 4.726 4.726 4.662 0.064 25919 9906 1 16 . 1 1 44 44 LEU CA C 44 53.165 53.165 53.094 0.071 25919 9907 1 16 . 1 1 44 44 LEU CB C 44 43.444 43.444 41.319 2.126 25919 9908 1 16 . 1 1 44 44 LEU H H 44 9.002 9.002 7.905 1.097 25919 9909 1 16 . 1 1 45 45 PRO HA H 45 4.722 4.722 4.583 0.139 25919 9910 1 16 . 1 1 45 45 PRO CA C 45 62.169 62.169 62.642 -0.472 25919 9911 1 16 . 1 1 45 45 PRO CB C 45 32.722 32.722 32.647 0.076 25919 9912 1 16 . 1 1 46 46 VAL N N 46 118.403 118.403 120.169 -1.766 25919 9913 1 16 . 1 1 46 46 VAL HA H 46 4.009 4.009 5.041 -1.032 25919 9914 1 16 . 1 1 46 46 VAL C C 46 173.416 173.416 174.842 -1.426 25919 9915 1 16 . 1 1 46 46 VAL CA C 46 62.413 62.413 60.115 2.298 25919 9916 1 16 . 1 1 46 46 VAL CB C 46 33.087 33.087 34.232 -1.145 25919 9917 1 16 . 1 1 46 46 VAL H H 46 8.349 8.349 7.911 0.438 25919 9918 1 16 . 1 1 47 47 LEU N N 47 128.653 128.653 125.637 3.016 25919 9919 1 16 . 1 1 47 47 LEU HA H 47 4.452 4.452 4.714 -0.262 25919 9920 1 16 . 1 1 47 47 LEU CA C 47 54.758 54.758 54.164 0.594 25919 9921 1 16 . 1 1 47 47 LEU CB C 47 44.076 44.076 44.700 -0.624 25919 9922 1 16 . 1 1 47 47 LEU H H 47 8.064 8.064 8.686 -0.622 25919 9923 1 16 . 1 1 48 48 ASP N N 48 121.042 121.042 119.812 1.230 25919 9924 1 16 . 1 1 48 48 ASP HA H 48 4.347 4.347 4.472 -0.125 25919 9925 1 16 . 1 1 48 48 ASP CA C 48 55.600 55.600 55.577 0.023 25919 9926 1 16 . 1 1 48 48 ASP CB C 48 40.407 40.407 40.372 0.035 25919 9927 1 16 . 1 1 48 48 ASP H H 48 8.649 8.649 8.664 -0.015 25919 9928 1 16 . 1 1 49 49 LYS N N 49 118.877 118.877 119.435 -0.558 25919 9929 1 16 . 1 1 49 49 LYS HA H 49 4.541 4.541 4.394 0.147 25919 9930 1 16 . 1 1 49 49 LYS C C 49 179.744 179.744 176.784 2.960 25919 9931 1 16 . 1 1 49 49 LYS CA C 49 54.099 54.099 56.364 -2.265 25919 9932 1 16 . 1 1 49 49 LYS CB C 49 35.378 35.378 30.947 4.431 25919 9933 1 16 . 1 1 49 49 LYS H H 49 7.287 7.287 8.260 -0.973 25919 9934 1 16 . 1 1 50 50 THR N N 50 114.691 114.691 111.997 2.694 25919 9935 1 16 . 1 1 50 50 THR HA H 50 4.628 4.628 4.184 0.444 25919 9936 1 16 . 1 1 50 50 THR CA C 50 63.920 63.920 63.620 0.300 25919 9937 1 16 . 1 1 50 50 THR CB C 50 71.365 71.365 69.090 2.276 25919 9938 1 16 . 1 1 50 50 THR H H 50 8.064 8.064 7.410 0.654 25919 9939 1 16 . 1 1 51 51 LYS N N 51 120.273 120.273 119.927 0.346 25919 9940 1 16 . 1 1 51 51 LYS HA H 51 4.570 4.570 4.210 0.360 25919 9941 1 16 . 1 1 51 51 LYS CA C 51 54.997 54.997 55.708 -0.711 25919 9942 1 16 . 1 1 51 51 LYS CB C 51 32.700 32.700 35.396 -2.696 25919 9943 1 16 . 1 1 51 51 LYS H H 51 7.192 7.192 7.347 -0.155 25919 9944 1 16 . 1 1 52 52 PHE N N 52 121.816 121.816 117.566 4.250 25919 9945 1 16 . 1 1 52 52 PHE HA H 52 5.503 5.503 4.909 0.594 25919 9946 1 16 . 1 1 52 52 PHE CA C 52 56.104 56.104 56.656 -0.552 25919 9947 1 16 . 1 1 52 52 PHE CB C 52 43.188 43.188 40.969 2.219 25919 9948 1 16 . 1 1 52 52 PHE H H 52 9.466 9.466 8.441 1.025 25919 9949 1 16 . 1 1 53 53 LEU N N 53 120.846 120.846 122.058 -1.212 25919 9950 1 16 . 1 1 53 53 LEU HA H 53 5.135 5.135 5.525 -0.390 25919 9951 1 16 . 1 1 53 53 LEU C C 53 175.042 175.042 176.226 -1.184 25919 9952 1 16 . 1 1 53 53 LEU CA C 53 52.916 52.916 53.492 -0.576 25919 9953 1 16 . 1 1 53 53 LEU CB C 53 45.242 45.242 44.358 0.884 25919 9954 1 16 . 1 1 53 53 LEU H H 53 8.608 8.608 8.508 0.100 25919 9955 1 16 . 1 1 54 54 VAL N N 54 123.773 123.773 122.014 1.759 25919 9956 1 16 . 1 1 54 54 VAL HA H 54 4.755 4.755 4.637 0.118 25919 9957 1 16 . 1 1 54 54 VAL CA C 54 58.622 58.622 58.824 -0.202 25919 9958 1 16 . 1 1 54 54 VAL CB C 54 35.150 35.150 34.662 0.488 25919 9959 1 16 . 1 1 54 54 VAL H H 54 8.801 8.801 8.654 0.147 25919 9960 1 16 . 1 1 55 55 PRO HA H 55 4.435 4.435 4.809 -0.374 25919 9961 1 16 . 1 1 55 55 PRO C C 55 176.427 176.427 178.061 -1.634 25919 9962 1 16 . 1 1 55 55 PRO CA C 55 64.298 64.298 62.282 2.016 25919 9963 1 16 . 1 1 55 55 PRO CB C 55 32.822 32.822 32.401 0.421 25919 9964 1 16 . 1 1 56 56 ASP N N 56 121.214 121.214 123.778 -2.564 25919 9965 1 16 . 1 1 56 56 ASP HA H 56 3.880 3.880 4.184 -0.304 25919 9966 1 16 . 1 1 56 56 ASP CA C 56 56.742 56.742 57.000 -0.258 25919 9967 1 16 . 1 1 56 56 ASP CB C 56 40.481 40.481 39.940 0.541 25919 9968 1 16 . 1 1 56 56 ASP H H 56 8.336 8.336 8.680 -0.344 25919 9969 1 16 . 1 1 57 57 HIS N N 57 114.277 114.277 116.625 -2.348 25919 9970 1 16 . 1 1 57 57 HIS HA H 57 4.772 4.772 4.428 0.344 25919 9971 1 16 . 1 1 57 57 HIS C C 57 174.806 174.806 175.850 -1.044 25919 9972 1 16 . 1 1 57 57 HIS CA C 57 55.688 55.688 57.206 -1.518 25919 9973 1 16 . 1 1 57 57 HIS CB C 57 30.450 30.450 29.465 0.985 25919 9974 1 16 . 1 1 57 57 HIS H H 57 7.464 7.464 7.971 -0.507 25919 9975 1 16 . 1 1 58 58 VAL N N 58 123.531 123.531 121.098 2.433 25919 9976 1 16 . 1 1 58 58 VAL HA H 58 3.909 3.909 3.993 -0.084 25919 9977 1 16 . 1 1 58 58 VAL C C 58 177.148 177.148 175.310 1.838 25919 9978 1 16 . 1 1 58 58 VAL CA C 58 62.900 62.900 63.180 -0.280 25919 9979 1 16 . 1 1 58 58 VAL CB C 58 32.320 32.320 31.553 0.767 25919 9980 1 16 . 1 1 58 58 VAL H H 58 7.261 7.261 7.851 -0.590 25919 9981 1 16 . 1 1 59 59 ASN N N 59 124.147 124.147 124.813 -0.666 25919 9982 1 16 . 1 1 59 59 ASN HA H 59 5.174 5.174 5.186 -0.012 25919 9983 1 16 . 1 1 59 59 ASN C C 59 175.176 175.176 177.150 -1.974 25919 9984 1 16 . 1 1 59 59 ASN CA C 59 51.374 51.374 52.011 -0.637 25919 9985 1 16 . 1 1 59 59 ASN CB C 59 40.038 40.038 40.432 -0.394 25919 9986 1 16 . 1 1 59 59 ASN H H 59 8.819 8.819 8.629 0.190 25919 9987 1 16 . 1 1 60 60 MET N N 60 117.583 117.583 121.216 -3.633 25919 9988 1 16 . 1 1 60 60 MET HA H 60 4.425 4.425 4.145 0.280 25919 9989 1 16 . 1 1 60 60 MET CA C 60 57.271 57.271 57.641 -0.370 25919 9990 1 16 . 1 1 60 60 MET CB C 60 30.063 30.063 31.409 -1.346 25919 9991 1 16 . 1 1 60 60 MET H H 60 8.023 8.023 8.410 -0.387 25919 9992 1 16 . 1 1 61 61 SER N N 61 115.027 115.027 114.580 0.447 25919 9993 1 16 . 1 1 61 61 SER HA H 61 4.138 4.138 4.090 0.048 25919 9994 1 16 . 1 1 61 61 SER C C 61 178.809 178.809 176.588 2.221 25919 9995 1 16 . 1 1 61 61 SER CA C 61 61.553 61.553 61.904 -0.351 25919 9996 1 16 . 1 1 61 61 SER CB C 61 62.581 62.581 62.971 -0.390 25919 9997 1 16 . 1 1 61 61 SER H H 61 8.350 8.350 7.955 0.395 25919 9998 1 16 . 1 1 62 62 GLU N N 62 123.657 123.657 122.143 1.514 25919 9999 1 16 . 1 1 62 62 GLU HA H 62 3.979 3.979 4.099 -0.120 25919 10000 1 16 . 1 1 62 62 GLU C C 62 176.456 176.456 178.473 -2.017 25919 10001 1 16 . 1 1 62 62 GLU CA C 62 58.726 58.726 58.918 -0.192 25919 10002 1 16 . 1 1 62 62 GLU CB C 62 29.700 29.700 29.295 0.405 25919 10003 1 16 . 1 1 62 62 GLU H H 62 7.994 7.994 7.603 0.391 25919 10004 1 16 . 1 1 63 63 LEU N N 63 121.225 121.225 121.447 -0.222 25919 10005 1 16 . 1 1 63 63 LEU HA H 63 3.949 3.949 3.929 0.020 25919 10006 1 16 . 1 1 63 63 LEU C C 63 178.113 178.113 178.630 -0.517 25919 10007 1 16 . 1 1 63 63 LEU CA C 63 57.860 57.860 58.121 -0.261 25919 10008 1 16 . 1 1 63 63 LEU CB C 63 41.526 41.526 41.825 -0.299 25919 10009 1 16 . 1 1 63 63 LEU H H 63 8.223 8.223 8.055 0.168 25919 10010 1 16 . 1 1 64 64 ILE N N 64 119.273 119.273 119.465 -0.192 25919 10011 1 16 . 1 1 64 64 ILE HA H 64 3.375 3.375 3.551 -0.176 25919 10012 1 16 . 1 1 64 64 ILE CA C 64 66.723 66.723 66.096 0.627 25919 10013 1 16 . 1 1 64 64 ILE CB C 64 38.161 38.161 37.659 0.502 25919 10014 1 16 . 1 1 64 64 ILE H H 64 8.301 8.301 8.590 -0.289 25919 10015 1 16 . 1 1 65 65 LYS N N 65 119.143 119.143 120.302 -1.159 25919 10016 1 16 . 1 1 65 65 LYS HA H 65 3.703 3.703 3.989 -0.286 25919 10017 1 16 . 1 1 65 65 LYS C C 65 173.869 173.869 178.979 -5.110 25919 10018 1 16 . 1 1 65 65 LYS CA C 65 60.451 60.451 59.786 0.665 25919 10019 1 16 . 1 1 65 65 LYS CB C 65 32.300 32.300 32.475 -0.175 25919 10020 1 16 . 1 1 65 65 LYS H H 65 7.300 7.300 7.696 -0.396 25919 10021 1 16 . 1 1 66 66 ILE N N 66 120.527 120.527 121.042 -0.515 25919 10022 1 16 . 1 1 66 66 ILE HA H 66 3.541 3.541 3.745 -0.204 25919 10023 1 16 . 1 1 66 66 ILE C C 66 176.459 176.459 177.726 -1.267 25919 10024 1 16 . 1 1 66 66 ILE CA C 66 65.290 65.290 64.111 1.179 25919 10025 1 16 . 1 1 66 66 ILE CB C 66 38.254 38.254 37.568 0.686 25919 10026 1 16 . 1 1 66 66 ILE H H 66 8.048 8.048 7.838 0.210 25919 10027 1 16 . 1 1 67 67 ILE N N 67 121.527 121.527 121.835 -0.308 25919 10028 1 16 . 1 1 67 67 ILE HA H 67 3.336 3.336 3.556 -0.220 25919 10029 1 16 . 1 1 67 67 ILE C C 67 178.102 178.102 177.666 0.436 25919 10030 1 16 . 1 1 67 67 ILE CA C 67 63.952 63.952 64.647 -0.695 25919 10031 1 16 . 1 1 67 67 ILE CB C 67 35.891 35.891 37.179 -1.288 25919 10032 1 16 . 1 1 67 67 ILE H H 67 8.308 8.308 8.020 0.288 25919 10033 1 16 . 1 1 68 68 ARG N N 68 119.384 119.384 119.490 -0.106 25919 10034 1 16 . 1 1 68 68 ARG HA H 68 2.970 2.970 3.366 -0.396 25919 10035 1 16 . 1 1 68 68 ARG C C 68 172.723 172.723 178.286 -5.563 25919 10036 1 16 . 1 1 68 68 ARG CA C 68 60.704 60.704 58.906 1.798 25919 10037 1 16 . 1 1 68 68 ARG CB C 68 30.320 30.320 29.783 0.537 25919 10038 1 16 . 1 1 68 68 ARG H H 68 8.336 8.336 8.290 0.046 25919 10039 1 16 . 1 1 69 69 ARG N N 69 117.648 117.648 117.481 0.167 25919 10040 1 16 . 1 1 69 69 ARG HA H 69 4.138 4.138 3.959 0.179 25919 10041 1 16 . 1 1 69 69 ARG C C 69 172.480 172.480 178.601 -6.121 25919 10042 1 16 . 1 1 69 69 ARG CA C 69 58.645 58.645 58.568 0.077 25919 10043 1 16 . 1 1 69 69 ARG CB C 69 29.779 29.779 29.973 -0.194 25919 10044 1 16 . 1 1 69 69 ARG H H 69 7.432 7.432 7.917 -0.485 25919 10045 1 16 . 1 1 70 70 ARG N N 70 124.006 124.006 117.853 6.153 25919 10046 1 16 . 1 1 70 70 ARG HA H 70 4.074 4.074 4.103 -0.029 25919 10047 1 16 . 1 1 70 70 ARG C C 70 178.799 178.799 177.461 1.338 25919 10048 1 16 . 1 1 70 70 ARG CA C 70 58.385 58.385 57.316 1.069 25919 10049 1 16 . 1 1 70 70 ARG CB C 70 30.043 30.043 30.298 -0.255 25919 10050 1 16 . 1 1 70 70 ARG H H 70 8.212 8.212 7.903 0.309 25919 10051 1 16 . 1 1 71 71 LEU N N 71 117.764 117.764 119.386 -1.622 25919 10052 1 16 . 1 1 71 71 LEU HA H 71 4.085 4.085 4.165 -0.080 25919 10053 1 16 . 1 1 71 71 LEU CA C 71 55.063 55.063 54.407 0.656 25919 10054 1 16 . 1 1 71 71 LEU CB C 71 43.100 43.100 42.062 1.038 25919 10055 1 16 . 1 1 71 71 LEU H H 71 7.750 7.750 7.970 -0.220 25919 10056 1 16 . 1 1 72 72 GLN N N 72 115.522 115.522 121.150 -5.628 25919 10057 1 16 . 1 1 72 72 GLN HA H 72 3.839 3.839 4.187 -0.348 25919 10058 1 16 . 1 1 72 72 GLN C C 72 175.744 175.744 174.794 0.950 25919 10059 1 16 . 1 1 72 72 GLN CA C 72 56.409 56.409 55.996 0.413 25919 10060 1 16 . 1 1 72 72 GLN CB C 72 25.959 25.959 26.944 -0.985 25919 10061 1 16 . 1 1 72 72 GLN H H 72 7.751 7.751 8.615 -0.864 25919 10062 1 16 . 1 1 73 73 LEU N N 73 115.900 115.900 122.784 -6.884 25919 10063 1 16 . 1 1 73 73 LEU HA H 73 4.254 4.254 4.477 -0.223 25919 10064 1 16 . 1 1 73 73 LEU C C 73 178.568 178.568 175.465 3.103 25919 10065 1 16 . 1 1 73 73 LEU CA C 73 54.468 54.468 53.355 1.113 25919 10066 1 16 . 1 1 73 73 LEU CB C 73 42.050 42.050 43.020 -0.971 25919 10067 1 16 . 1 1 73 73 LEU H H 73 7.573 7.573 7.787 -0.214 25919 10068 1 16 . 1 1 74 74 ASN N N 74 122.154 122.154 123.681 -1.527 25919 10069 1 16 . 1 1 74 74 ASN HA H 74 4.684 4.684 4.580 0.104 25919 10070 1 16 . 1 1 74 74 ASN C C 74 174.122 174.122 176.387 -2.265 25919 10071 1 16 . 1 1 74 74 ASN CA C 74 52.724 52.724 53.142 -0.418 25919 10072 1 16 . 1 1 74 74 ASN CB C 74 39.579 39.579 40.058 -0.479 25919 10073 1 16 . 1 1 74 74 ASN H H 74 8.949 8.949 8.831 0.118 25919 10074 1 16 . 1 1 75 75 ALA N N 75 124.274 124.274 124.329 -0.055 25919 10075 1 16 . 1 1 75 75 ALA HA H 75 3.972 3.972 4.087 -0.115 25919 10076 1 16 . 1 1 75 75 ALA C C 75 178.113 178.113 178.108 0.005 25919 10077 1 16 . 1 1 75 75 ALA CA C 75 54.900 54.900 54.375 0.525 25919 10078 1 16 . 1 1 75 75 ALA CB C 75 18.708 18.708 18.605 0.103 25919 10079 1 16 . 1 1 75 75 ALA H H 75 8.690 8.690 8.572 0.118 25919 10080 1 16 . 1 1 76 76 ASN N N 76 112.911 112.911 115.306 -2.395 25919 10081 1 16 . 1 1 76 76 ASN HA H 76 4.589 4.589 4.599 -0.010 25919 10082 1 16 . 1 1 76 76 ASN C C 76 175.515 175.515 175.648 -0.133 25919 10083 1 16 . 1 1 76 76 ASN CA C 76 53.276 53.276 54.004 -0.728 25919 10084 1 16 . 1 1 76 76 ASN CB C 76 38.343 38.343 38.606 -0.263 25919 10085 1 16 . 1 1 76 76 ASN H H 76 8.340 8.340 8.047 0.293 25919 10086 1 16 . 1 1 77 77 GLN N N 77 121.144 121.144 119.835 1.309 25919 10087 1 16 . 1 1 77 77 GLN HA H 77 4.287 4.287 4.359 -0.072 25919 10088 1 16 . 1 1 77 77 GLN C C 77 175.053 175.053 175.568 -0.515 25919 10089 1 16 . 1 1 77 77 GLN CA C 77 55.856 55.856 55.402 0.454 25919 10090 1 16 . 1 1 77 77 GLN CB C 77 30.320 30.320 29.309 1.011 25919 10091 1 16 . 1 1 77 77 GLN H H 77 7.546 7.546 7.689 -0.143 25919 10092 1 16 . 1 1 78 78 ALA N N 78 131.146 131.146 126.408 4.738 25919 10093 1 16 . 1 1 78 78 ALA HA H 78 4.179 4.179 4.304 -0.125 25919 10094 1 16 . 1 1 78 78 ALA C C 78 176.453 176.453 176.226 0.227 25919 10095 1 16 . 1 1 78 78 ALA CA C 78 52.852 52.852 52.265 0.587 25919 10096 1 16 . 1 1 78 78 ALA CB C 78 20.074 20.074 18.962 1.112 25919 10097 1 16 . 1 1 78 78 ALA H H 78 8.730 8.730 8.481 0.249 25919 10098 1 16 . 1 1 79 79 PHE N N 79 119.860 119.860 124.446 -4.586 25919 10099 1 16 . 1 1 79 79 PHE HA H 79 4.453 4.453 5.350 -0.897 25919 10100 1 16 . 1 1 79 79 PHE C C 79 171.834 171.834 173.054 -1.220 25919 10101 1 16 . 1 1 79 79 PHE CA C 79 59.115 59.115 56.914 2.201 25919 10102 1 16 . 1 1 79 79 PHE CB C 79 42.246 42.246 42.543 -0.297 25919 10103 1 16 . 1 1 79 79 PHE H H 79 7.601 7.601 8.046 -0.445 25919 10104 1 16 . 1 1 80 80 PHE N N 80 126.800 126.800 124.309 2.491 25919 10105 1 16 . 1 1 80 80 PHE HA H 80 4.396 4.396 4.313 0.083 25919 10106 1 16 . 1 1 80 80 PHE C C 80 173.169 173.169 172.982 0.187 25919 10107 1 16 . 1 1 80 80 PHE CA C 80 56.859 56.859 56.267 0.592 25919 10108 1 16 . 1 1 80 80 PHE CB C 80 41.946 41.946 42.739 -0.793 25919 10109 1 16 . 1 1 80 80 PHE H H 80 8.504 8.504 8.644 -0.140 25919 10110 1 16 . 1 1 81 81 LEU N N 81 122.590 122.590 125.341 -2.751 25919 10111 1 16 . 1 1 81 81 LEU HA H 81 4.902 4.902 4.617 0.285 25919 10112 1 16 . 1 1 81 81 LEU CA C 81 53.108 53.108 54.657 -1.550 25919 10113 1 16 . 1 1 81 81 LEU CB C 81 45.781 45.781 43.121 2.660 25919 10114 1 16 . 1 1 81 81 LEU H H 81 8.159 8.159 8.339 -0.180 25919 10115 1 16 . 1 1 82 82 LEU N N 82 126.414 126.414 126.751 -0.337 25919 10116 1 16 . 1 1 82 82 LEU HA H 82 4.807 4.807 5.004 -0.197 25919 10117 1 16 . 1 1 82 82 LEU C C 82 174.204 174.204 176.106 -1.902 25919 10118 1 16 . 1 1 82 82 LEU CA C 82 54.200 54.200 53.360 0.840 25919 10119 1 16 . 1 1 82 82 LEU CB C 82 43.650 43.650 43.605 0.046 25919 10120 1 16 . 1 1 82 82 LEU H H 82 9.347 9.347 9.220 0.127 25919 10121 1 16 . 1 1 83 83 VAL N N 83 123.910 123.910 122.950 0.960 25919 10122 1 16 . 1 1 83 83 VAL HA H 83 4.466 4.466 4.408 0.058 25919 10123 1 16 . 1 1 83 83 VAL C C 83 175.891 175.891 176.529 -0.638 25919 10124 1 16 . 1 1 83 83 VAL CA C 83 61.339 61.339 62.246 -0.907 25919 10125 1 16 . 1 1 83 83 VAL CB C 83 34.013 34.013 32.471 1.542 25919 10126 1 16 . 1 1 83 83 VAL H H 83 8.676 8.676 8.983 -0.307 25919 10127 1 16 . 1 1 84 84 ASN N N 84 127.149 127.149 128.036 -0.887 25919 10128 1 16 . 1 1 84 84 ASN HA H 84 4.384 4.384 4.494 -0.110 25919 10129 1 16 . 1 1 84 84 ASN CA C 84 54.494 54.494 54.237 0.257 25919 10130 1 16 . 1 1 84 84 ASN CB C 84 37.933 37.933 37.579 0.354 25919 10131 1 16 . 1 1 84 84 ASN H H 84 9.630 9.630 9.239 0.391 25919 10132 1 16 . 1 1 85 85 GLY N N 85 101.905 101.905 102.815 -0.910 25919 10133 1 16 . 1 1 85 85 GLY C C 85 175.112 175.112 173.245 1.867 25919 10134 1 16 . 1 1 85 85 GLY CA C 85 45.624 45.624 45.689 -0.065 25919 10135 1 16 . 1 1 85 85 GLY H H 85 8.670 8.670 8.636 0.034 25919 10136 1 16 . 1 1 86 86 HIS N N 86 117.905 117.905 120.375 -2.470 25919 10137 1 16 . 1 1 86 86 HIS HA H 86 5.039 5.039 5.260 -0.221 25919 10138 1 16 . 1 1 86 86 HIS CA C 86 53.890 53.890 54.331 -0.441 25919 10139 1 16 . 1 1 86 86 HIS CB C 86 30.888 30.888 33.142 -2.254 25919 10140 1 16 . 1 1 86 86 HIS H H 86 7.927 7.927 8.012 -0.085 25919 10141 1 16 . 1 1 87 87 SER N N 87 118.646 118.646 119.550 -0.904 25919 10142 1 16 . 1 1 87 87 SER HA H 87 4.397 4.397 4.297 0.100 25919 10143 1 16 . 1 1 87 87 SER C C 87 175.275 175.275 174.861 0.414 25919 10144 1 16 . 1 1 87 87 SER CA C 87 58.414 58.414 58.977 -0.563 25919 10145 1 16 . 1 1 87 87 SER CB C 87 63.772 63.772 63.617 0.155 25919 10146 1 16 . 1 1 87 87 SER H H 87 8.927 8.927 8.016 0.911 25919 10147 1 16 . 1 1 88 88 MET N N 88 126.013 126.013 125.585 0.428 25919 10148 1 16 . 1 1 88 88 MET HA H 88 4.851 4.851 4.788 0.063 25919 10149 1 16 . 1 1 88 88 MET C C 88 178.796 178.796 176.498 2.298 25919 10150 1 16 . 1 1 88 88 MET CA C 88 54.727 54.727 55.253 -0.526 25919 10151 1 16 . 1 1 88 88 MET CB C 88 33.309 33.309 33.776 -0.467 25919 10152 1 16 . 1 1 88 88 MET H H 88 9.088 9.088 8.996 0.092 25919 10153 1 16 . 1 1 89 89 VAL N N 89 121.153 121.153 121.487 -0.334 25919 10154 1 16 . 1 1 89 89 VAL HA H 89 4.057 4.057 3.730 0.327 25919 10155 1 16 . 1 1 89 89 VAL C C 89 176.695 176.695 176.823 -0.128 25919 10156 1 16 . 1 1 89 89 VAL CA C 89 63.592 63.592 65.910 -2.318 25919 10157 1 16 . 1 1 89 89 VAL CB C 89 32.422 32.422 30.975 1.447 25919 10158 1 16 . 1 1 89 89 VAL H H 89 8.144 8.144 7.597 0.547 25919 10159 1 16 . 1 1 90 90 SER N N 90 116.778 116.778 111.474 5.304 25919 10160 1 16 . 1 1 90 90 SER HA H 90 4.561 4.561 4.371 0.190 25919 10161 1 16 . 1 1 90 90 SER C C 90 173.898 173.898 174.590 -0.692 25919 10162 1 16 . 1 1 90 90 SER CA C 90 57.895 57.895 58.438 -0.543 25919 10163 1 16 . 1 1 90 90 SER CB C 90 63.133 63.133 63.276 -0.143 25919 10164 1 16 . 1 1 90 90 SER H H 90 8.322 8.322 8.164 0.158 25919 10165 1 16 . 1 1 91 91 VAL N N 91 120.735 120.735 124.596 -3.861 25919 10166 1 16 . 1 1 91 91 VAL HA H 91 4.286 4.286 4.118 0.168 25919 10167 1 16 . 1 1 91 91 VAL CA C 91 62.846 62.846 62.663 0.182 25919 10168 1 16 . 1 1 91 91 VAL CB C 91 32.069 32.069 32.340 -0.271 25919 10169 1 16 . 1 1 91 91 VAL H H 91 8.036 8.036 7.559 0.477 25919 10170 1 16 . 1 1 92 92 SER N N 92 118.146 118.146 123.124 -4.978 25919 10171 1 16 . 1 1 92 92 SER HA H 92 4.549 4.549 4.431 0.118 25919 10172 1 16 . 1 1 92 92 SER CA C 92 57.813 57.813 58.564 -0.751 25919 10173 1 16 . 1 1 92 92 SER CB C 92 63.488 63.488 62.941 0.547 25919 10174 1 16 . 1 1 92 92 SER H H 92 8.470 8.470 8.748 -0.278 25919 10175 1 16 . 1 1 93 93 THR N N 93 119.747 119.747 119.927 -0.180 25919 10176 1 16 . 1 1 93 93 THR HA H 93 4.467 4.467 4.355 0.112 25919 10177 1 16 . 1 1 93 93 THR CA C 93 61.005 61.005 61.613 -0.608 25919 10178 1 16 . 1 1 93 93 THR CB C 93 70.592 70.592 68.767 1.825 25919 10179 1 16 . 1 1 93 93 THR H H 93 7.382 7.382 7.717 -0.335 25919 10180 1 16 . 1 1 94 94 PRO HA H 94 4.424 4.424 4.756 -0.332 25919 10181 1 16 . 1 1 94 94 PRO CA C 94 63.060 63.060 62.703 0.357 25919 10182 1 16 . 1 1 94 94 PRO CB C 94 32.798 32.798 32.550 0.248 25919 10183 1 16 . 1 1 95 95 ILE N N 95 124.894 124.894 122.853 2.041 25919 10184 1 16 . 1 1 95 95 ILE HA H 95 3.984 3.984 3.908 0.076 25919 10185 1 16 . 1 1 95 95 ILE CA C 95 63.963 63.963 62.143 1.820 25919 10186 1 16 . 1 1 95 95 ILE CB C 95 38.200 38.200 38.175 0.025 25919 10187 1 16 . 1 1 95 95 ILE H H 95 9.358 9.358 8.699 0.659 25919 10188 1 16 . 1 1 96 96 SER N N 96 117.523 117.523 115.849 1.674 25919 10189 1 16 . 1 1 96 96 SER HA H 96 4.004 4.004 4.121 -0.117 25919 10190 1 16 . 1 1 96 96 SER CA C 96 61.700 61.700 61.833 -0.133 25919 10191 1 16 . 1 1 96 96 SER CB C 96 61.400 61.400 62.824 -1.424 25919 10192 1 16 . 1 1 96 96 SER H H 96 8.202 8.202 8.084 0.118 25919 10193 1 16 . 1 1 97 97 GLU N N 97 123.657 123.657 122.959 0.698 25919 10194 1 16 . 1 1 97 97 GLU HA H 97 4.282 4.282 4.207 0.075 25919 10195 1 16 . 1 1 97 97 GLU CA C 97 58.700 58.700 58.740 -0.040 25919 10196 1 16 . 1 1 97 97 GLU CB C 97 29.800 29.800 29.334 0.466 25919 10197 1 16 . 1 1 97 97 GLU H H 97 7.301 7.301 7.736 -0.435 25919 10198 1 16 . 1 1 98 98 VAL N N 98 121.907 121.907 120.533 1.374 25919 10199 1 16 . 1 1 98 98 VAL HA H 98 3.797 3.797 3.752 0.045 25919 10200 1 16 . 1 1 98 98 VAL CA C 98 65.949 65.949 66.169 -0.220 25919 10201 1 16 . 1 1 98 98 VAL CB C 98 32.186 32.186 31.723 0.463 25919 10202 1 16 . 1 1 98 98 VAL H H 98 7.410 7.410 7.657 -0.247 25919 10203 1 16 . 1 1 99 99 TYR N N 99 119.526 119.526 120.596 -1.070 25919 10204 1 16 . 1 1 99 99 TYR HA H 99 4.016 4.016 4.083 -0.067 25919 10205 1 16 . 1 1 99 99 TYR C C 99 175.741 175.741 177.937 -2.196 25919 10206 1 16 . 1 1 99 99 TYR CA C 99 62.229 62.229 61.474 0.755 25919 10207 1 16 . 1 1 99 99 TYR CB C 99 38.967 38.967 38.418 0.549 25919 10208 1 16 . 1 1 99 99 TYR H H 99 9.071 9.071 8.198 0.873 25919 10209 1 16 . 1 1 100 100 GLU N N 100 114.405 114.405 117.701 -3.296 25919 10210 1 16 . 1 1 100 100 GLU HA H 100 3.850 3.850 3.684 0.166 25919 10211 1 16 . 1 1 100 100 GLU C C 100 178.094 178.094 178.926 -0.832 25919 10212 1 16 . 1 1 100 100 GLU CA C 100 58.920 58.920 59.063 -0.143 25919 10213 1 16 . 1 1 100 100 GLU CB C 100 29.481 29.481 29.340 0.141 25919 10214 1 16 . 1 1 100 100 GLU H H 100 7.342 7.342 8.178 -0.836 25919 10215 1 16 . 1 1 101 101 SER N N 101 109.656 109.656 113.293 -3.637 25919 10216 1 16 . 1 1 101 101 SER HA H 101 4.529 4.529 4.387 0.142 25919 10217 1 16 . 1 1 101 101 SER C C 101 176.681 176.681 175.901 0.780 25919 10218 1 16 . 1 1 101 101 SER CA C 101 60.313 60.313 60.558 -0.245 25919 10219 1 16 . 1 1 101 101 SER CB C 101 64.703 64.703 63.437 1.266 25919 10220 1 16 . 1 1 101 101 SER H H 101 7.410 7.410 7.824 -0.414 25919 10221 1 16 . 1 1 102 102 GLU N N 102 117.283 117.283 119.905 -2.622 25919 10222 1 16 . 1 1 102 102 GLU HA H 102 4.721 4.721 4.676 0.045 25919 10223 1 16 . 1 1 102 102 GLU CA C 102 55.592 55.592 54.864 0.728 25919 10224 1 16 . 1 1 102 102 GLU CB C 102 30.564 30.564 29.951 0.613 25919 10225 1 16 . 1 1 102 102 GLU H H 102 8.500 8.500 7.747 0.753 25919 10226 1 16 . 1 1 103 103 LYS N N 103 118.772 118.772 120.835 -2.063 25919 10227 1 16 . 1 1 103 103 LYS HA H 103 4.179 4.179 4.176 0.003 25919 10228 1 16 . 1 1 103 103 LYS C C 103 175.032 175.032 176.581 -1.549 25919 10229 1 16 . 1 1 103 103 LYS CA C 103 57.154 57.154 57.277 -0.123 25919 10230 1 16 . 1 1 103 103 LYS CB C 103 32.238 32.238 32.103 0.134 25919 10231 1 16 . 1 1 103 103 LYS H H 103 7.777 7.777 7.792 -0.015 25919 10232 1 16 . 1 1 104 104 ASP N N 104 124.024 124.024 125.789 -1.765 25919 10233 1 16 . 1 1 104 104 ASP HA H 104 5.032 5.032 4.554 0.478 25919 10234 1 16 . 1 1 104 104 ASP C C 104 177.548 177.548 178.263 -0.715 25919 10235 1 16 . 1 1 104 104 ASP CA C 104 53.882 53.882 53.275 0.607 25919 10236 1 16 . 1 1 104 104 ASP CB C 104 43.420 43.420 42.671 0.749 25919 10237 1 16 . 1 1 104 104 ASP H H 104 9.030 9.030 8.795 0.235 25919 10238 1 16 . 1 1 105 105 GLU N N 105 125.669 125.669 120.464 5.205 25919 10239 1 16 . 1 1 105 105 GLU HA H 105 4.179 4.179 4.067 0.112 25919 10240 1 16 . 1 1 105 105 GLU CA C 105 59.526 59.526 59.276 0.250 25919 10241 1 16 . 1 1 105 105 GLU CB C 105 30.036 30.036 29.295 0.741 25919 10242 1 16 . 1 1 105 105 GLU H H 105 8.894 8.894 8.887 0.007 25919 10243 1 16 . 1 1 106 106 ASP N N 106 119.257 119.257 114.357 4.900 25919 10244 1 16 . 1 1 106 106 ASP HA H 106 4.180 4.180 4.755 -0.575 25919 10245 1 16 . 1 1 106 106 ASP C C 106 176.018 176.018 177.330 -1.312 25919 10246 1 16 . 1 1 106 106 ASP CA C 106 54.750 54.750 53.352 1.398 25919 10247 1 16 . 1 1 106 106 ASP CB C 106 40.250 40.250 40.814 -0.564 25919 10248 1 16 . 1 1 106 106 ASP H H 106 9.838 9.838 8.145 1.693 25919 10249 1 16 . 1 1 107 107 GLY N N 107 106.307 106.307 107.840 -1.533 25919 10250 1 16 . 1 1 107 107 GLY CA C 107 45.125 45.125 44.747 0.378 25919 10251 1 16 . 1 1 107 107 GLY H H 107 7.945 7.945 8.080 -0.135 25919 10252 1 16 . 1 1 108 108 PHE N N 108 124.389 124.389 122.448 1.941 25919 10253 1 16 . 1 1 108 108 PHE HA H 108 4.670 4.670 4.389 0.281 25919 10254 1 16 . 1 1 108 108 PHE C C 108 179.501 179.501 175.920 3.581 25919 10255 1 16 . 1 1 108 108 PHE CA C 108 60.288 60.288 60.540 -0.252 25919 10256 1 16 . 1 1 108 108 PHE CB C 108 40.506 40.506 39.784 0.722 25919 10257 1 16 . 1 1 108 108 PHE H H 108 9.739 9.739 8.518 1.221 25919 10258 1 16 . 1 1 109 109 LEU N N 109 120.814 120.814 125.086 -4.272 25919 10259 1 16 . 1 1 109 109 LEU HA H 109 5.038 5.038 4.938 0.100 25919 10260 1 16 . 1 1 109 109 LEU CA C 109 53.479 53.479 54.302 -0.823 25919 10261 1 16 . 1 1 109 109 LEU CB C 109 45.197 45.197 43.380 1.817 25919 10262 1 16 . 1 1 109 109 LEU H H 109 7.968 7.968 8.782 -0.814 25919 10263 1 16 . 1 1 110 110 TYR N N 110 127.403 127.403 127.020 0.383 25919 10264 1 16 . 1 1 110 110 TYR HA H 110 4.907 4.907 4.621 0.286 25919 10265 1 16 . 1 1 110 110 TYR CA C 110 59.259 59.259 58.595 0.664 25919 10266 1 16 . 1 1 110 110 TYR CB C 110 39.469 39.469 39.237 0.232 25919 10267 1 16 . 1 1 110 110 TYR H H 110 9.349 9.349 8.197 1.152 25919 10268 1 16 . 1 1 111 111 MET N N 111 120.344 120.344 122.427 -2.083 25919 10269 1 16 . 1 1 111 111 MET HA H 111 5.543 5.543 5.475 0.068 25919 10270 1 16 . 1 1 111 111 MET CA C 111 54.341 54.341 54.329 0.012 25919 10271 1 16 . 1 1 111 111 MET CB C 111 36.894 36.894 37.056 -0.162 25919 10272 1 16 . 1 1 111 111 MET H H 111 9.575 9.575 8.516 1.059 25919 10273 1 16 . 1 1 112 112 VAL N N 112 121.026 121.026 117.348 3.678 25919 10274 1 16 . 1 1 112 112 VAL HA H 112 5.938 5.938 5.356 0.582 25919 10275 1 16 . 1 1 112 112 VAL C C 112 176.696 176.696 173.634 3.062 25919 10276 1 16 . 1 1 112 112 VAL CA C 112 59.068 59.068 59.498 -0.430 25919 10277 1 16 . 1 1 112 112 VAL CB C 112 36.180 36.180 35.806 0.374 25919 10278 1 16 . 1 1 112 112 VAL H H 112 8.730 8.730 9.196 -0.466 25919 10279 1 16 . 1 1 113 113 TYR N N 113 119.995 119.995 119.152 0.843 25919 10280 1 16 . 1 1 113 113 TYR HA H 113 6.143 6.143 5.724 0.419 25919 10281 1 16 . 1 1 113 113 TYR C C 113 173.533 173.533 173.661 -0.128 25919 10282 1 16 . 1 1 113 113 TYR CA C 113 54.165 54.165 54.861 -0.696 25919 10283 1 16 . 1 1 113 113 TYR CB C 113 43.667 43.667 41.960 1.707 25919 10284 1 16 . 1 1 113 113 TYR H H 113 8.172 8.172 8.834 -0.662 25919 10285 1 16 . 1 1 114 114 ALA N N 114 120.454 120.454 122.628 -2.174 25919 10286 1 16 . 1 1 114 114 ALA HA H 114 4.750 4.750 4.930 -0.180 25919 10287 1 16 . 1 1 114 114 ALA C C 114 176.007 176.007 176.339 -0.332 25919 10288 1 16 . 1 1 114 114 ALA CA C 114 51.356 51.356 51.361 -0.006 25919 10289 1 16 . 1 1 114 114 ALA CB C 114 24.623 24.623 22.224 2.399 25919 10290 1 16 . 1 1 114 114 ALA H H 114 8.499 8.499 8.888 -0.389 25919 10291 1 16 . 1 1 115 115 SER N N 115 115.279 115.279 114.097 1.182 25919 10292 1 16 . 1 1 115 115 SER HA H 115 4.505 4.505 4.789 -0.284 25919 10293 1 16 . 1 1 115 115 SER C C 115 172.860 172.860 174.821 -1.961 25919 10294 1 16 . 1 1 115 115 SER CA C 115 58.837 58.837 59.945 -1.108 25919 10295 1 16 . 1 1 115 115 SER CB C 115 63.798 63.798 63.752 0.046 25919 10296 1 16 . 1 1 115 115 SER H H 115 9.823 9.823 9.241 0.582 25919 10297 1 16 . 1 1 116 116 GLN N N 116 117.398 117.398 119.574 -2.176 25919 10298 1 16 . 1 1 116 116 GLN HA H 116 4.453 4.453 4.384 0.069 25919 10299 1 16 . 1 1 116 116 GLN C C 116 173.181 173.181 173.852 -0.671 25919 10300 1 16 . 1 1 116 116 GLN CA C 116 54.024 54.024 54.470 -0.446 25919 10301 1 16 . 1 1 116 116 GLN CB C 116 32.179 32.179 30.823 1.356 25919 10302 1 16 . 1 1 116 116 GLN H H 116 7.165 7.165 7.515 -0.350 25919 10303 1 16 . 1 1 117 117 GLU N N 117 118.885 118.885 116.070 2.815 25919 10304 1 16 . 1 1 117 117 GLU HA H 117 3.224 3.224 3.465 -0.241 25919 10305 1 16 . 1 1 117 117 GLU C C 117 175.451 175.451 175.237 0.214 25919 10306 1 16 . 1 1 117 117 GLU CA C 117 56.917 56.917 57.626 -0.709 25919 10307 1 16 . 1 1 117 117 GLU CB C 117 30.206 30.206 29.387 0.819 25919 10308 1 16 . 1 1 117 117 GLU H H 117 7.873 7.873 8.256 -0.383 25919 10309 1 16 . 1 1 118 118 THR N N 118 110.883 110.883 107.976 2.907 25919 10310 1 16 . 1 1 118 118 THR HA H 118 4.074 4.074 4.767 -0.693 25919 10311 1 16 . 1 1 118 118 THR C C 118 173.234 173.234 174.323 -1.089 25919 10312 1 16 . 1 1 118 118 THR CA C 118 60.300 60.300 59.238 1.062 25919 10313 1 16 . 1 1 118 118 THR CB C 118 70.118 70.118 71.681 -1.564 25919 10314 1 16 . 1 1 118 118 THR H H 118 6.988 6.988 7.126 -0.138 25919 10315 1 16 . 1 1 119 119 PHE N N 119 122.773 122.773 117.891 4.882 25919 10316 1 16 . 1 1 119 119 PHE HA H 119 4.397 4.397 3.872 0.525 25919 10317 1 16 . 1 1 119 119 PHE C C 119 175.045 175.045 176.722 -1.677 25919 10318 1 16 . 1 1 119 119 PHE CA C 119 56.810 56.810 57.814 -1.004 25919 10319 1 16 . 1 1 119 119 PHE CB C 119 39.349 39.349 38.089 1.260 25919 10320 1 16 . 1 1 119 119 PHE H H 119 8.122 8.122 7.551 0.571 25919 10321 1 17 . 1 1 2 2 PRO HA H 2 4.424 4.424 4.638 -0.214 25919 10322 1 17 . 1 1 2 2 PRO C C 2 176.917 176.917 176.043 0.874 25919 10323 1 17 . 1 1 2 2 PRO CA C 2 63.418 63.418 63.744 -0.326 25919 10324 1 17 . 1 1 2 2 PRO CB C 2 32.160 32.160 30.711 1.449 25919 10325 1 17 . 1 1 3 3 SER N N 3 116.273 116.273 120.754 -4.481 25919 10326 1 17 . 1 1 3 3 SER HA H 3 4.389 4.389 4.584 -0.195 25919 10327 1 17 . 1 1 3 3 SER C C 3 174.762 174.762 174.193 0.569 25919 10328 1 17 . 1 1 3 3 SER CA C 3 58.472 58.472 57.500 0.972 25919 10329 1 17 . 1 1 3 3 SER CB C 3 63.913 63.913 64.539 -0.626 25919 10330 1 17 . 1 1 3 3 SER H H 3 8.366 8.366 7.759 0.607 25919 10331 1 17 . 1 1 4 4 GLU N N 4 123.959 123.959 119.121 4.838 25919 10332 1 17 . 1 1 4 4 GLU HA H 4 4.289 4.289 4.269 0.020 25919 10333 1 17 . 1 1 4 4 GLU C C 4 176.545 176.545 176.618 -0.073 25919 10334 1 17 . 1 1 4 4 GLU CA C 4 56.785 56.785 57.564 -0.779 25919 10335 1 17 . 1 1 4 4 GLU CB C 4 30.200 30.200 29.639 0.561 25919 10336 1 17 . 1 1 4 4 GLU H H 4 8.513 8.513 8.589 -0.076 25919 10337 1 17 . 1 1 5 5 LYS N N 5 122.165 122.165 119.177 2.988 25919 10338 1 17 . 1 1 5 5 LYS HA H 5 4.508 4.508 4.649 -0.141 25919 10339 1 17 . 1 1 5 5 LYS C C 5 177.178 177.178 176.004 1.174 25919 10340 1 17 . 1 1 5 5 LYS CA C 5 56.000 56.000 54.594 1.406 25919 10341 1 17 . 1 1 5 5 LYS CB C 5 34.758 34.758 34.267 0.491 25919 10342 1 17 . 1 1 5 5 LYS H H 5 8.198 8.198 7.555 0.643 25919 10343 1 17 . 1 1 6 6 THR N N 6 115.586 115.586 112.363 3.223 25919 10344 1 17 . 1 1 6 6 THR HA H 6 4.426 4.426 4.471 -0.045 25919 10345 1 17 . 1 1 6 6 THR C C 6 175.570 175.570 175.963 -0.393 25919 10346 1 17 . 1 1 6 6 THR CA C 6 61.120 61.120 61.499 -0.379 25919 10347 1 17 . 1 1 6 6 THR CB C 6 69.871 69.871 69.983 -0.111 25919 10348 1 17 . 1 1 6 6 THR H H 6 8.423 8.423 8.063 0.360 25919 10349 1 17 . 1 1 7 7 PHE N N 7 126.100 126.100 124.430 1.670 25919 10350 1 17 . 1 1 7 7 PHE HA H 7 3.935 3.935 4.180 -0.245 25919 10351 1 17 . 1 1 7 7 PHE CA C 7 63.687 63.687 60.551 3.136 25919 10352 1 17 . 1 1 7 7 PHE CB C 7 39.656 39.656 39.440 0.216 25919 10353 1 17 . 1 1 7 7 PHE H H 7 10.276 10.276 9.031 1.245 25919 10354 1 17 . 1 1 8 8 LYS N N 8 115.026 115.026 120.780 -5.754 25919 10355 1 17 . 1 1 8 8 LYS HA H 8 3.800 3.800 3.922 -0.122 25919 10356 1 17 . 1 1 8 8 LYS CA C 8 59.944 59.944 57.903 2.041 25919 10357 1 17 . 1 1 8 8 LYS CB C 8 33.852 33.852 31.764 2.088 25919 10358 1 17 . 1 1 8 8 LYS H H 8 8.707 8.707 7.839 0.868 25919 10359 1 17 . 1 1 9 9 GLN N N 9 113.774 113.774 117.633 -3.859 25919 10360 1 17 . 1 1 9 9 GLN HA H 9 4.178 4.178 4.053 0.125 25919 10361 1 17 . 1 1 9 9 GLN C C 9 173.193 173.193 177.325 -4.132 25919 10362 1 17 . 1 1 9 9 GLN CA C 9 56.741 56.741 58.119 -1.378 25919 10363 1 17 . 1 1 9 9 GLN CB C 9 30.065 30.065 29.203 0.862 25919 10364 1 17 . 1 1 9 9 GLN H H 9 7.343 7.343 7.694 -0.351 25919 10365 1 17 . 1 1 10 10 ARG N N 10 119.156 119.156 116.963 2.193 25919 10366 1 17 . 1 1 10 10 ARG HA H 10 4.248 4.248 4.434 -0.186 25919 10367 1 17 . 1 1 10 10 ARG CA C 10 57.555 57.555 56.370 1.185 25919 10368 1 17 . 1 1 10 10 ARG CB C 10 31.771 31.771 31.183 0.588 25919 10369 1 17 . 1 1 10 10 ARG H H 10 7.912 7.912 7.618 0.294 25919 10370 1 17 . 1 1 11 11 ARG N N 11 120.777 120.777 119.879 0.898 25919 10371 1 17 . 1 1 11 11 ARG HA H 11 4.685 4.685 4.405 0.280 25919 10372 1 17 . 1 1 11 11 ARG CA C 11 53.161 53.161 55.055 -1.894 25919 10373 1 17 . 1 1 11 11 ARG CB C 11 32.773 32.773 30.971 1.802 25919 10374 1 17 . 1 1 11 11 ARG H H 11 7.341 7.341 7.772 -0.431 25919 10375 1 17 . 1 1 12 12 THR N N 12 116.696 116.696 111.249 5.447 25919 10376 1 17 . 1 1 12 12 THR HA H 12 4.358 4.358 4.394 -0.036 25919 10377 1 17 . 1 1 12 12 THR C C 12 175.056 175.056 175.410 -0.354 25919 10378 1 17 . 1 1 12 12 THR CA C 12 61.795 61.795 59.742 2.053 25919 10379 1 17 . 1 1 12 12 THR CB C 12 71.050 71.050 71.725 -0.675 25919 10380 1 17 . 1 1 12 12 THR H H 12 8.855 8.855 7.641 1.214 25919 10381 1 17 . 1 1 13 13 PHE N N 13 123.894 123.894 121.841 2.053 25919 10382 1 17 . 1 1 13 13 PHE HA H 13 4.043 4.043 4.115 -0.072 25919 10383 1 17 . 1 1 13 13 PHE C C 13 176.234 176.234 177.831 -1.597 25919 10384 1 17 . 1 1 13 13 PHE CA C 13 62.947 62.947 62.426 0.521 25919 10385 1 17 . 1 1 13 13 PHE CB C 13 39.571 39.571 38.502 1.069 25919 10386 1 17 . 1 1 13 13 PHE H H 13 9.221 9.221 8.811 0.410 25919 10387 1 17 . 1 1 14 14 GLU N N 14 116.516 116.516 117.230 -0.714 25919 10388 1 17 . 1 1 14 14 GLU HA H 14 3.812 3.812 4.065 -0.253 25919 10389 1 17 . 1 1 14 14 GLU CA C 14 60.699 60.699 59.849 0.850 25919 10390 1 17 . 1 1 14 14 GLU CB C 14 28.943 28.943 29.085 -0.142 25919 10391 1 17 . 1 1 14 14 GLU H H 14 9.002 9.002 8.907 0.095 25919 10392 1 17 . 1 1 15 15 GLN N N 15 119.291 119.291 118.550 0.741 25919 10393 1 17 . 1 1 15 15 GLN HA H 15 4.024 4.024 4.096 -0.072 25919 10394 1 17 . 1 1 15 15 GLN C C 15 175.263 175.263 178.620 -3.357 25919 10395 1 17 . 1 1 15 15 GLN CA C 15 58.800 58.800 58.841 -0.041 25919 10396 1 17 . 1 1 15 15 GLN CB C 15 29.300 29.300 28.755 0.545 25919 10397 1 17 . 1 1 15 15 GLN H H 15 7.706 7.706 7.864 -0.158 25919 10398 1 17 . 1 1 16 16 ARG N N 16 122.883 122.883 120.148 2.735 25919 10399 1 17 . 1 1 16 16 ARG HA H 16 4.235 4.235 4.103 0.132 25919 10400 1 17 . 1 1 16 16 ARG CA C 16 61.660 61.660 59.790 1.870 25919 10401 1 17 . 1 1 16 16 ARG CB C 16 30.877 30.877 30.232 0.645 25919 10402 1 17 . 1 1 16 16 ARG H H 16 8.567 8.567 8.378 0.189 25919 10403 1 17 . 1 1 17 17 VAL N N 17 118.523 118.523 120.502 -1.979 25919 10404 1 17 . 1 1 17 17 VAL HA H 17 3.865 3.865 3.893 -0.028 25919 10405 1 17 . 1 1 17 17 VAL C C 17 174.213 174.213 178.327 -4.114 25919 10406 1 17 . 1 1 17 17 VAL CA C 17 65.550 65.550 66.579 -1.029 25919 10407 1 17 . 1 1 17 17 VAL CB C 17 32.171 32.171 31.508 0.663 25919 10408 1 17 . 1 1 17 17 VAL H H 17 8.430 8.430 8.800 -0.370 25919 10409 1 17 . 1 1 18 18 GLU N N 18 120.170 120.170 120.154 0.016 25919 10410 1 17 . 1 1 18 18 GLU HA H 18 4.212 4.212 3.965 0.247 25919 10411 1 17 . 1 1 18 18 GLU C C 18 175.758 175.758 178.627 -2.869 25919 10412 1 17 . 1 1 18 18 GLU CA C 18 58.488 58.488 59.936 -1.448 25919 10413 1 17 . 1 1 18 18 GLU CB C 18 29.360 29.360 29.337 0.023 25919 10414 1 17 . 1 1 18 18 GLU H H 18 7.423 7.423 7.770 -0.347 25919 10415 1 17 . 1 1 19 19 ASP N N 19 121.273 121.273 120.078 1.195 25919 10416 1 17 . 1 1 19 19 ASP HA H 19 4.384 4.384 4.418 -0.034 25919 10417 1 17 . 1 1 19 19 ASP C C 19 177.016 177.016 178.648 -1.632 25919 10418 1 17 . 1 1 19 19 ASP CA C 19 56.900 56.900 57.333 -0.433 25919 10419 1 17 . 1 1 19 19 ASP CB C 19 41.884 41.884 40.742 1.142 25919 10420 1 17 . 1 1 19 19 ASP H H 19 7.955 7.955 8.147 -0.192 25919 10421 1 17 . 1 1 20 20 VAL N N 20 119.523 119.523 120.302 -0.779 25919 10422 1 17 . 1 1 20 20 VAL HA H 20 3.232 3.232 3.706 -0.474 25919 10423 1 17 . 1 1 20 20 VAL C C 20 173.876 173.876 177.709 -3.833 25919 10424 1 17 . 1 1 20 20 VAL CA C 20 66.128 66.128 67.174 -1.046 25919 10425 1 17 . 1 1 20 20 VAL CB C 20 31.099 31.099 31.752 -0.653 25919 10426 1 17 . 1 1 20 20 VAL H H 20 7.818 7.818 8.362 -0.544 25919 10427 1 17 . 1 1 21 21 ARG N N 21 120.310 120.310 120.290 0.020 25919 10428 1 17 . 1 1 21 21 ARG HA H 21 3.803 3.803 4.022 -0.219 25919 10429 1 17 . 1 1 21 21 ARG CA C 21 59.934 59.934 59.730 0.204 25919 10430 1 17 . 1 1 21 21 ARG CB C 21 30.076 30.076 30.136 -0.060 25919 10431 1 17 . 1 1 21 21 ARG H H 21 8.037 8.037 7.944 0.093 25919 10432 1 17 . 1 1 22 22 LEU N N 22 118.660 118.660 119.522 -0.862 25919 10433 1 17 . 1 1 22 22 LEU HA H 22 4.094 4.094 3.967 0.127 25919 10434 1 17 . 1 1 22 22 LEU C C 22 177.626 177.626 179.070 -1.444 25919 10435 1 17 . 1 1 22 22 LEU CA C 22 57.738 57.738 58.977 -1.239 25919 10436 1 17 . 1 1 22 22 LEU CB C 22 42.222 42.222 41.784 0.438 25919 10437 1 17 . 1 1 22 22 LEU H H 22 8.050 8.050 8.300 -0.250 25919 10438 1 17 . 1 1 23 23 ILE N N 23 122.825 122.825 119.394 3.431 25919 10439 1 17 . 1 1 23 23 ILE HA H 23 4.122 4.122 3.705 0.417 25919 10440 1 17 . 1 1 23 23 ILE C C 23 176.226 176.226 177.189 -0.963 25919 10441 1 17 . 1 1 23 23 ILE CA C 23 61.243 61.243 64.017 -2.774 25919 10442 1 17 . 1 1 23 23 ILE CB C 23 38.268 38.268 37.975 0.293 25919 10443 1 17 . 1 1 23 23 ILE H H 23 8.390 8.390 7.738 0.652 25919 10444 1 17 . 1 1 24 24 ARG N N 24 122.365 122.365 120.105 2.260 25919 10445 1 17 . 1 1 24 24 ARG HA H 24 4.017 4.017 4.091 -0.074 25919 10446 1 17 . 1 1 24 24 ARG CA C 24 57.684 57.684 58.087 -0.403 25919 10447 1 17 . 1 1 24 24 ARG CB C 24 28.817 28.817 29.736 -0.919 25919 10448 1 17 . 1 1 24 24 ARG H H 24 8.540 8.540 8.419 0.121 25919 10449 1 17 . 1 1 25 25 GLU N N 25 118.383 118.383 118.288 0.095 25919 10450 1 17 . 1 1 25 25 GLU HA H 25 4.044 4.044 4.180 -0.136 25919 10451 1 17 . 1 1 25 25 GLU CA C 25 58.680 58.680 58.408 0.272 25919 10452 1 17 . 1 1 25 25 GLU CB C 25 29.850 29.850 29.904 -0.054 25919 10453 1 17 . 1 1 25 25 GLU H H 25 7.287 7.287 7.781 -0.494 25919 10454 1 17 . 1 1 26 26 GLN N N 26 117.165 117.165 117.821 -0.656 25919 10455 1 17 . 1 1 26 26 GLN HA H 26 3.948 3.948 4.068 -0.120 25919 10456 1 17 . 1 1 26 26 GLN C C 26 176.221 176.221 176.892 -0.671 25919 10457 1 17 . 1 1 26 26 GLN CA C 26 57.638 57.638 57.419 0.219 25919 10458 1 17 . 1 1 26 26 GLN CB C 26 30.320 30.320 29.511 0.809 25919 10459 1 17 . 1 1 26 26 GLN H H 26 7.423 7.423 7.946 -0.523 25919 10460 1 17 . 1 1 27 27 HIS N N 27 117.140 117.140 117.711 -0.571 25919 10461 1 17 . 1 1 27 27 HIS HA H 27 4.866 4.866 5.124 -0.258 25919 10462 1 17 . 1 1 27 27 HIS CA C 27 53.305 53.305 52.636 0.669 25919 10463 1 17 . 1 1 27 27 HIS CB C 27 30.917 30.917 30.512 0.405 25919 10464 1 17 . 1 1 27 27 HIS H H 27 8.254 8.254 8.046 0.208 25919 10465 1 17 . 1 1 28 28 PRO HA H 28 4.609 4.609 4.418 0.191 25919 10466 1 17 . 1 1 28 28 PRO CA C 28 64.881 64.881 64.532 0.349 25919 10467 1 17 . 1 1 28 28 PRO CB C 28 32.554 32.554 31.987 0.567 25919 10468 1 17 . 1 1 29 29 THR N N 29 107.339 107.339 106.846 0.493 25919 10469 1 17 . 1 1 29 29 THR HA H 29 4.644 4.644 4.338 0.306 25919 10470 1 17 . 1 1 29 29 THR C C 29 172.933 172.933 174.243 -1.310 25919 10471 1 17 . 1 1 29 29 THR CA C 29 60.600 60.600 63.177 -2.577 25919 10472 1 17 . 1 1 29 29 THR CB C 29 68.520 68.520 69.001 -0.481 25919 10473 1 17 . 1 1 29 29 THR H H 29 7.764 7.764 8.289 -0.525 25919 10474 1 17 . 1 1 30 30 LYS N N 30 118.273 118.273 120.383 -2.110 25919 10475 1 17 . 1 1 30 30 LYS HA H 30 4.926 4.926 5.191 -0.265 25919 10476 1 17 . 1 1 30 30 LYS C C 30 175.010 175.010 174.995 0.015 25919 10477 1 17 . 1 1 30 30 LYS CA C 30 53.740 53.740 54.772 -1.032 25919 10478 1 17 . 1 1 30 30 LYS CB C 30 36.445 36.445 36.273 0.172 25919 10479 1 17 . 1 1 30 30 LYS H H 30 7.478 7.478 7.747 -0.269 25919 10480 1 17 . 1 1 31 31 ILE N N 31 123.498 123.498 121.797 1.701 25919 10481 1 17 . 1 1 31 31 ILE HA H 31 4.139 4.139 4.387 -0.248 25919 10482 1 17 . 1 1 31 31 ILE CA C 31 54.669 54.669 56.066 -1.397 25919 10483 1 17 . 1 1 31 31 ILE CB C 31 38.427 38.427 38.915 -0.488 25919 10484 1 17 . 1 1 31 31 ILE H H 31 9.235 9.235 8.812 0.423 25919 10485 1 17 . 1 1 32 32 PRO HA H 32 5.212 5.212 4.716 0.496 25919 10486 1 17 . 1 1 32 32 PRO C C 32 174.832 174.832 175.906 -1.074 25919 10487 1 17 . 1 1 32 32 PRO CA C 32 61.678 61.678 62.661 -0.983 25919 10488 1 17 . 1 1 32 32 PRO CB C 32 30.993 30.993 31.700 -0.707 25919 10489 1 17 . 1 1 33 33 VAL N N 33 124.964 124.964 124.163 0.801 25919 10490 1 17 . 1 1 33 33 VAL HA H 33 5.234 5.234 5.247 -0.013 25919 10491 1 17 . 1 1 33 33 VAL CA C 33 59.611 59.611 60.578 -0.967 25919 10492 1 17 . 1 1 33 33 VAL CB C 33 35.711 35.711 35.919 -0.208 25919 10493 1 17 . 1 1 33 33 VAL H H 33 9.289 9.289 9.010 0.279 25919 10494 1 17 . 1 1 34 34 ILE N N 34 127.908 127.908 125.701 2.207 25919 10495 1 17 . 1 1 34 34 ILE HA H 34 4.742 4.742 4.668 0.074 25919 10496 1 17 . 1 1 34 34 ILE CA C 34 56.330 56.330 59.995 -3.665 25919 10497 1 17 . 1 1 34 34 ILE CB C 34 36.629 36.629 41.067 -4.438 25919 10498 1 17 . 1 1 34 34 ILE H H 34 8.594 8.594 8.989 -0.395 25919 10499 1 17 . 1 1 35 35 ILE N N 35 125.405 125.405 126.343 -0.938 25919 10500 1 17 . 1 1 35 35 ILE HA H 35 4.879 4.879 5.191 -0.312 25919 10501 1 17 . 1 1 35 35 ILE C C 35 176.126 176.126 173.659 2.467 25919 10502 1 17 . 1 1 35 35 ILE CA C 35 60.923 60.923 59.214 1.709 25919 10503 1 17 . 1 1 35 35 ILE CB C 35 38.968 38.968 41.655 -2.687 25919 10504 1 17 . 1 1 35 35 ILE H H 35 8.545 8.545 8.559 -0.014 25919 10505 1 17 . 1 1 36 36 GLU N N 36 124.153 124.153 127.883 -3.730 25919 10506 1 17 . 1 1 36 36 GLU HA H 36 4.789 4.789 4.758 0.031 25919 10507 1 17 . 1 1 36 36 GLU C C 36 173.645 173.645 174.200 -0.555 25919 10508 1 17 . 1 1 36 36 GLU CA C 36 54.282 54.282 54.255 0.027 25919 10509 1 17 . 1 1 36 36 GLU CB C 36 35.401 35.401 33.862 1.539 25919 10510 1 17 . 1 1 36 36 GLU H H 36 8.363 8.363 8.440 -0.077 25919 10511 1 17 . 1 1 37 37 ARG N N 37 123.957 123.957 127.228 -3.271 25919 10512 1 17 . 1 1 37 37 ARG HA H 37 2.804 2.804 3.089 -0.285 25919 10513 1 17 . 1 1 37 37 ARG C C 37 176.456 176.456 175.689 0.767 25919 10514 1 17 . 1 1 37 37 ARG CA C 37 56.120 56.120 56.565 -0.445 25919 10515 1 17 . 1 1 37 37 ARG CB C 37 31.500 31.500 30.287 1.213 25919 10516 1 17 . 1 1 37 37 ARG H H 37 8.853 8.853 8.551 0.302 25919 10517 1 17 . 1 1 38 38 TYR N N 38 129.636 129.636 128.151 1.485 25919 10518 1 17 . 1 1 38 38 TYR HA H 38 4.311 4.311 4.283 0.028 25919 10519 1 17 . 1 1 38 38 TYR CA C 38 57.907 57.907 58.640 -0.733 25919 10520 1 17 . 1 1 38 38 TYR CB C 38 39.567 39.567 39.015 0.552 25919 10521 1 17 . 1 1 38 38 TYR H H 38 8.663 8.663 8.530 0.133 25919 10522 1 17 . 1 1 39 39 LYS N N 39 130.772 130.772 128.461 2.311 25919 10523 1 17 . 1 1 39 39 LYS HA H 39 3.848 3.848 3.754 0.094 25919 10524 1 17 . 1 1 39 39 LYS CA C 39 58.986 58.986 58.521 0.465 25919 10525 1 17 . 1 1 39 39 LYS CB C 39 31.777 31.777 32.128 -0.351 25919 10526 1 17 . 1 1 39 39 LYS H H 39 8.389 8.389 8.542 -0.153 25919 10527 1 17 . 1 1 40 40 GLY N N 40 106.013 106.013 103.038 2.975 25919 10528 1 17 . 1 1 40 40 GLY C C 40 173.407 173.407 174.449 -1.042 25919 10529 1 17 . 1 1 40 40 GLY CA C 40 44.796 44.796 44.586 0.210 25919 10530 1 17 . 1 1 40 40 GLY H H 40 5.643 5.643 6.442 -0.799 25919 10531 1 17 . 1 1 41 41 GLU N N 41 123.519 123.519 119.789 3.730 25919 10532 1 17 . 1 1 41 41 GLU HA H 41 4.265 4.265 4.486 -0.221 25919 10533 1 17 . 1 1 41 41 GLU C C 41 176.231 176.231 175.897 0.334 25919 10534 1 17 . 1 1 41 41 GLU CA C 41 56.365 56.365 55.649 0.716 25919 10535 1 17 . 1 1 41 41 GLU CB C 41 31.077 31.077 30.230 0.847 25919 10536 1 17 . 1 1 41 41 GLU H H 41 7.464 7.464 6.804 0.660 25919 10537 1 17 . 1 1 42 42 LYS N N 42 124.405 124.405 126.980 -2.575 25919 10538 1 17 . 1 1 42 42 LYS HA H 42 4.669 4.669 4.219 0.450 25919 10539 1 17 . 1 1 42 42 LYS C C 42 177.170 177.170 176.581 0.589 25919 10540 1 17 . 1 1 42 42 LYS CA C 42 55.750 55.750 56.705 -0.955 25919 10541 1 17 . 1 1 42 42 LYS CB C 42 34.929 34.929 30.733 4.196 25919 10542 1 17 . 1 1 42 42 LYS H H 42 8.895 8.895 8.487 0.408 25919 10543 1 17 . 1 1 43 43 GLN N N 43 119.903 119.903 119.053 0.850 25919 10544 1 17 . 1 1 43 43 GLN HA H 43 4.541 4.541 4.118 0.423 25919 10545 1 17 . 1 1 43 43 GLN C C 43 177.260 177.260 176.630 0.630 25919 10546 1 17 . 1 1 43 43 GLN CA C 43 57.566 57.566 57.575 -0.009 25919 10547 1 17 . 1 1 43 43 GLN CB C 43 30.620 30.620 29.108 1.512 25919 10548 1 17 . 1 1 43 43 GLN H H 43 8.459 8.459 7.681 0.778 25919 10549 1 17 . 1 1 44 44 LEU N N 44 121.272 121.272 121.183 0.089 25919 10550 1 17 . 1 1 44 44 LEU HA H 44 4.726 4.726 4.551 0.175 25919 10551 1 17 . 1 1 44 44 LEU CA C 44 53.165 53.165 53.378 -0.213 25919 10552 1 17 . 1 1 44 44 LEU CB C 44 43.444 43.444 41.479 1.965 25919 10553 1 17 . 1 1 44 44 LEU H H 44 9.002 9.002 8.343 0.659 25919 10554 1 17 . 1 1 45 45 PRO HA H 45 4.722 4.722 4.488 0.234 25919 10555 1 17 . 1 1 45 45 PRO CA C 45 62.169 62.169 62.861 -0.692 25919 10556 1 17 . 1 1 45 45 PRO CB C 45 32.722 32.722 32.206 0.516 25919 10557 1 17 . 1 1 46 46 VAL N N 46 118.403 118.403 121.659 -3.256 25919 10558 1 17 . 1 1 46 46 VAL HA H 46 4.009 4.009 4.370 -0.361 25919 10559 1 17 . 1 1 46 46 VAL C C 46 173.416 173.416 176.152 -2.736 25919 10560 1 17 . 1 1 46 46 VAL CA C 46 62.413 62.413 61.782 0.631 25919 10561 1 17 . 1 1 46 46 VAL CB C 46 33.087 33.087 33.007 0.080 25919 10562 1 17 . 1 1 46 46 VAL H H 46 8.349 8.349 8.276 0.073 25919 10563 1 17 . 1 1 47 47 LEU N N 47 128.653 128.653 126.293 2.360 25919 10564 1 17 . 1 1 47 47 LEU HA H 47 4.452 4.452 4.738 -0.286 25919 10565 1 17 . 1 1 47 47 LEU CA C 47 54.758 54.758 54.183 0.575 25919 10566 1 17 . 1 1 47 47 LEU CB C 47 44.076 44.076 44.874 -0.798 25919 10567 1 17 . 1 1 47 47 LEU H H 47 8.064 8.064 8.109 -0.045 25919 10568 1 17 . 1 1 48 48 ASP N N 48 121.042 121.042 120.449 0.593 25919 10569 1 17 . 1 1 48 48 ASP HA H 48 4.347 4.347 4.558 -0.211 25919 10570 1 17 . 1 1 48 48 ASP CA C 48 55.600 55.600 54.757 0.843 25919 10571 1 17 . 1 1 48 48 ASP CB C 48 40.407 40.407 40.863 -0.456 25919 10572 1 17 . 1 1 48 48 ASP H H 48 8.649 8.649 8.618 0.031 25919 10573 1 17 . 1 1 49 49 LYS N N 49 118.877 118.877 120.616 -1.739 25919 10574 1 17 . 1 1 49 49 LYS HA H 49 4.541 4.541 4.192 0.349 25919 10575 1 17 . 1 1 49 49 LYS C C 49 179.744 179.744 176.312 3.432 25919 10576 1 17 . 1 1 49 49 LYS CA C 49 54.099 54.099 56.589 -2.490 25919 10577 1 17 . 1 1 49 49 LYS CB C 49 35.378 35.378 32.427 2.951 25919 10578 1 17 . 1 1 49 49 LYS H H 49 7.287 7.287 7.858 -0.571 25919 10579 1 17 . 1 1 50 50 THR N N 50 114.691 114.691 116.896 -2.205 25919 10580 1 17 . 1 1 50 50 THR HA H 50 4.628 4.628 4.754 -0.126 25919 10581 1 17 . 1 1 50 50 THR CA C 50 63.920 63.920 61.747 2.173 25919 10582 1 17 . 1 1 50 50 THR CB C 50 71.365 71.365 70.157 1.208 25919 10583 1 17 . 1 1 50 50 THR H H 50 8.064 8.064 8.116 -0.052 25919 10584 1 17 . 1 1 51 51 LYS N N 51 120.273 120.273 120.569 -0.296 25919 10585 1 17 . 1 1 51 51 LYS HA H 51 4.570 4.570 4.674 -0.104 25919 10586 1 17 . 1 1 51 51 LYS CA C 51 54.997 54.997 55.116 -0.119 25919 10587 1 17 . 1 1 51 51 LYS CB C 51 32.700 32.700 36.511 -3.811 25919 10588 1 17 . 1 1 51 51 LYS H H 51 7.192 7.192 7.057 0.135 25919 10589 1 17 . 1 1 52 52 PHE N N 52 121.816 121.816 118.300 3.516 25919 10590 1 17 . 1 1 52 52 PHE HA H 52 5.503 5.503 4.758 0.745 25919 10591 1 17 . 1 1 52 52 PHE CA C 52 56.104 56.104 56.452 -0.348 25919 10592 1 17 . 1 1 52 52 PHE CB C 52 43.188 43.188 42.992 0.196 25919 10593 1 17 . 1 1 52 52 PHE H H 52 9.466 9.466 8.743 0.723 25919 10594 1 17 . 1 1 53 53 LEU N N 53 120.846 120.846 124.762 -3.916 25919 10595 1 17 . 1 1 53 53 LEU HA H 53 5.135 5.135 5.153 -0.018 25919 10596 1 17 . 1 1 53 53 LEU C C 53 175.042 175.042 176.157 -1.115 25919 10597 1 17 . 1 1 53 53 LEU CA C 53 52.916 52.916 53.859 -0.943 25919 10598 1 17 . 1 1 53 53 LEU CB C 53 45.242 45.242 42.553 2.689 25919 10599 1 17 . 1 1 53 53 LEU H H 53 8.608 8.608 8.720 -0.112 25919 10600 1 17 . 1 1 54 54 VAL N N 54 123.773 123.773 125.773 -2.000 25919 10601 1 17 . 1 1 54 54 VAL HA H 54 4.755 4.755 4.428 0.327 25919 10602 1 17 . 1 1 54 54 VAL CA C 54 58.622 58.622 59.852 -1.230 25919 10603 1 17 . 1 1 54 54 VAL CB C 54 35.150 35.150 32.398 2.752 25919 10604 1 17 . 1 1 54 54 VAL H H 54 8.801 8.801 8.464 0.337 25919 10605 1 17 . 1 1 55 55 PRO HA H 55 4.435 4.435 4.680 -0.245 25919 10606 1 17 . 1 1 55 55 PRO C C 55 176.427 176.427 178.027 -1.600 25919 10607 1 17 . 1 1 55 55 PRO CA C 55 64.298 64.298 62.875 1.423 25919 10608 1 17 . 1 1 55 55 PRO CB C 55 32.822 32.822 32.228 0.594 25919 10609 1 17 . 1 1 56 56 ASP N N 56 121.214 121.214 124.341 -3.127 25919 10610 1 17 . 1 1 56 56 ASP HA H 56 3.880 3.880 4.312 -0.432 25919 10611 1 17 . 1 1 56 56 ASP CA C 56 56.742 56.742 57.303 -0.561 25919 10612 1 17 . 1 1 56 56 ASP CB C 56 40.481 40.481 40.248 0.233 25919 10613 1 17 . 1 1 56 56 ASP H H 56 8.336 8.336 9.016 -0.680 25919 10614 1 17 . 1 1 57 57 HIS N N 57 114.277 114.277 116.788 -2.511 25919 10615 1 17 . 1 1 57 57 HIS HA H 57 4.772 4.772 4.475 0.297 25919 10616 1 17 . 1 1 57 57 HIS C C 57 174.806 174.806 175.968 -1.162 25919 10617 1 17 . 1 1 57 57 HIS CA C 57 55.688 55.688 57.704 -2.016 25919 10618 1 17 . 1 1 57 57 HIS CB C 57 30.450 30.450 29.751 0.699 25919 10619 1 17 . 1 1 57 57 HIS H H 57 7.464 7.464 8.369 -0.905 25919 10620 1 17 . 1 1 58 58 VAL N N 58 123.531 123.531 120.338 3.193 25919 10621 1 17 . 1 1 58 58 VAL HA H 58 3.909 3.909 3.992 -0.083 25919 10622 1 17 . 1 1 58 58 VAL C C 58 177.148 177.148 175.302 1.846 25919 10623 1 17 . 1 1 58 58 VAL CA C 58 62.900 62.900 63.050 -0.150 25919 10624 1 17 . 1 1 58 58 VAL CB C 58 32.320 32.320 31.825 0.495 25919 10625 1 17 . 1 1 58 58 VAL H H 58 7.261 7.261 7.898 -0.637 25919 10626 1 17 . 1 1 59 59 ASN N N 59 124.147 124.147 122.446 1.701 25919 10627 1 17 . 1 1 59 59 ASN HA H 59 5.174 5.174 5.187 -0.013 25919 10628 1 17 . 1 1 59 59 ASN C C 59 175.176 175.176 176.470 -1.294 25919 10629 1 17 . 1 1 59 59 ASN CA C 59 51.374 51.374 51.508 -0.134 25919 10630 1 17 . 1 1 59 59 ASN CB C 59 40.038 40.038 40.882 -0.844 25919 10631 1 17 . 1 1 59 59 ASN H H 59 8.819 8.819 8.187 0.632 25919 10632 1 17 . 1 1 60 60 MET N N 60 117.583 117.583 118.960 -1.377 25919 10633 1 17 . 1 1 60 60 MET HA H 60 4.425 4.425 4.156 0.269 25919 10634 1 17 . 1 1 60 60 MET CA C 60 57.271 57.271 57.454 -0.183 25919 10635 1 17 . 1 1 60 60 MET CB C 60 30.063 30.063 31.184 -1.121 25919 10636 1 17 . 1 1 60 60 MET H H 60 8.023 8.023 8.169 -0.146 25919 10637 1 17 . 1 1 61 61 SER N N 61 115.027 115.027 115.823 -0.796 25919 10638 1 17 . 1 1 61 61 SER HA H 61 4.138 4.138 4.063 0.075 25919 10639 1 17 . 1 1 61 61 SER C C 61 178.809 178.809 176.585 2.224 25919 10640 1 17 . 1 1 61 61 SER CA C 61 61.553 61.553 61.724 -0.171 25919 10641 1 17 . 1 1 61 61 SER CB C 61 62.581 62.581 63.017 -0.436 25919 10642 1 17 . 1 1 61 61 SER H H 61 8.350 8.350 8.278 0.072 25919 10643 1 17 . 1 1 62 62 GLU N N 62 123.657 123.657 122.097 1.560 25919 10644 1 17 . 1 1 62 62 GLU HA H 62 3.979 3.979 4.044 -0.065 25919 10645 1 17 . 1 1 62 62 GLU C C 62 176.456 176.456 178.588 -2.132 25919 10646 1 17 . 1 1 62 62 GLU CA C 62 58.726 58.726 58.939 -0.213 25919 10647 1 17 . 1 1 62 62 GLU CB C 62 29.700 29.700 29.415 0.285 25919 10648 1 17 . 1 1 62 62 GLU H H 62 7.994 7.994 8.482 -0.488 25919 10649 1 17 . 1 1 63 63 LEU N N 63 121.225 121.225 121.066 0.159 25919 10650 1 17 . 1 1 63 63 LEU HA H 63 3.949 3.949 3.913 0.036 25919 10651 1 17 . 1 1 63 63 LEU C C 63 178.113 178.113 178.660 -0.547 25919 10652 1 17 . 1 1 63 63 LEU CA C 63 57.860 57.860 58.206 -0.346 25919 10653 1 17 . 1 1 63 63 LEU CB C 63 41.526 41.526 41.897 -0.371 25919 10654 1 17 . 1 1 63 63 LEU H H 63 8.223 8.223 8.108 0.115 25919 10655 1 17 . 1 1 64 64 ILE N N 64 119.273 119.273 118.885 0.388 25919 10656 1 17 . 1 1 64 64 ILE HA H 64 3.375 3.375 3.629 -0.254 25919 10657 1 17 . 1 1 64 64 ILE CA C 64 66.723 66.723 65.854 0.869 25919 10658 1 17 . 1 1 64 64 ILE CB C 64 38.161 38.161 37.681 0.480 25919 10659 1 17 . 1 1 64 64 ILE H H 64 8.301 8.301 8.580 -0.279 25919 10660 1 17 . 1 1 65 65 LYS N N 65 119.143 119.143 119.710 -0.567 25919 10661 1 17 . 1 1 65 65 LYS HA H 65 3.703 3.703 3.956 -0.253 25919 10662 1 17 . 1 1 65 65 LYS C C 65 173.869 173.869 178.643 -4.774 25919 10663 1 17 . 1 1 65 65 LYS CA C 65 60.451 60.451 59.611 0.840 25919 10664 1 17 . 1 1 65 65 LYS CB C 65 32.300 32.300 31.952 0.348 25919 10665 1 17 . 1 1 65 65 LYS H H 65 7.300 7.300 7.985 -0.685 25919 10666 1 17 . 1 1 66 66 ILE N N 66 120.527 120.527 122.142 -1.615 25919 10667 1 17 . 1 1 66 66 ILE HA H 66 3.541 3.541 3.771 -0.230 25919 10668 1 17 . 1 1 66 66 ILE C C 66 176.459 176.459 177.580 -1.121 25919 10669 1 17 . 1 1 66 66 ILE CA C 66 65.290 65.290 63.852 1.438 25919 10670 1 17 . 1 1 66 66 ILE CB C 66 38.254 38.254 37.678 0.576 25919 10671 1 17 . 1 1 66 66 ILE H H 66 8.048 8.048 7.534 0.514 25919 10672 1 17 . 1 1 67 67 ILE N N 67 121.527 121.527 121.578 -0.051 25919 10673 1 17 . 1 1 67 67 ILE HA H 67 3.336 3.336 3.589 -0.253 25919 10674 1 17 . 1 1 67 67 ILE C C 67 178.102 178.102 177.527 0.575 25919 10675 1 17 . 1 1 67 67 ILE CA C 67 63.952 63.952 64.631 -0.679 25919 10676 1 17 . 1 1 67 67 ILE CB C 67 35.891 35.891 37.243 -1.352 25919 10677 1 17 . 1 1 67 67 ILE H H 67 8.308 8.308 8.330 -0.022 25919 10678 1 17 . 1 1 68 68 ARG N N 68 119.384 119.384 119.832 -0.448 25919 10679 1 17 . 1 1 68 68 ARG HA H 68 2.970 2.970 3.133 -0.163 25919 10680 1 17 . 1 1 68 68 ARG C C 68 172.723 172.723 178.010 -5.287 25919 10681 1 17 . 1 1 68 68 ARG CA C 68 60.704 60.704 59.765 0.939 25919 10682 1 17 . 1 1 68 68 ARG CB C 68 30.320 30.320 29.949 0.371 25919 10683 1 17 . 1 1 68 68 ARG H H 68 8.336 8.336 8.302 0.034 25919 10684 1 17 . 1 1 69 69 ARG N N 69 117.648 117.648 118.958 -1.310 25919 10685 1 17 . 1 1 69 69 ARG HA H 69 4.138 4.138 4.023 0.115 25919 10686 1 17 . 1 1 69 69 ARG C C 69 172.480 172.480 179.494 -7.014 25919 10687 1 17 . 1 1 69 69 ARG CA C 69 58.645 58.645 58.124 0.521 25919 10688 1 17 . 1 1 69 69 ARG CB C 69 29.779 29.779 29.459 0.320 25919 10689 1 17 . 1 1 69 69 ARG H H 69 7.432 7.432 7.817 -0.385 25919 10690 1 17 . 1 1 70 70 ARG N N 70 124.006 124.006 118.896 5.110 25919 10691 1 17 . 1 1 70 70 ARG HA H 70 4.074 4.074 4.051 0.023 25919 10692 1 17 . 1 1 70 70 ARG C C 70 178.799 178.799 177.941 0.858 25919 10693 1 17 . 1 1 70 70 ARG CA C 70 58.385 58.385 57.855 0.530 25919 10694 1 17 . 1 1 70 70 ARG CB C 70 30.043 30.043 29.685 0.358 25919 10695 1 17 . 1 1 70 70 ARG H H 70 8.212 8.212 8.253 -0.041 25919 10696 1 17 . 1 1 71 71 LEU N N 71 117.764 117.764 116.546 1.218 25919 10697 1 17 . 1 1 71 71 LEU HA H 71 4.085 4.085 4.119 -0.034 25919 10698 1 17 . 1 1 71 71 LEU CA C 71 55.063 55.063 54.860 0.203 25919 10699 1 17 . 1 1 71 71 LEU CB C 71 43.100 43.100 41.740 1.360 25919 10700 1 17 . 1 1 71 71 LEU H H 71 7.750 7.750 7.978 -0.228 25919 10701 1 17 . 1 1 72 72 GLN N N 72 115.522 115.522 112.909 2.613 25919 10702 1 17 . 1 1 72 72 GLN HA H 72 3.839 3.839 3.958 -0.119 25919 10703 1 17 . 1 1 72 72 GLN C C 72 175.744 175.744 175.479 0.265 25919 10704 1 17 . 1 1 72 72 GLN CA C 72 56.409 56.409 56.547 -0.138 25919 10705 1 17 . 1 1 72 72 GLN CB C 72 25.959 25.959 25.470 0.489 25919 10706 1 17 . 1 1 72 72 GLN H H 72 7.751 7.751 7.698 0.053 25919 10707 1 17 . 1 1 73 73 LEU N N 73 115.900 115.900 120.434 -4.534 25919 10708 1 17 . 1 1 73 73 LEU HA H 73 4.254 4.254 4.362 -0.108 25919 10709 1 17 . 1 1 73 73 LEU C C 73 178.568 178.568 175.947 2.621 25919 10710 1 17 . 1 1 73 73 LEU CA C 73 54.468 54.468 53.656 0.812 25919 10711 1 17 . 1 1 73 73 LEU CB C 73 42.050 42.050 39.830 2.220 25919 10712 1 17 . 1 1 73 73 LEU H H 73 7.573 7.573 8.012 -0.439 25919 10713 1 17 . 1 1 74 74 ASN N N 74 122.154 122.154 123.364 -1.210 25919 10714 1 17 . 1 1 74 74 ASN HA H 74 4.684 4.684 4.486 0.198 25919 10715 1 17 . 1 1 74 74 ASN C C 74 174.122 174.122 176.735 -2.613 25919 10716 1 17 . 1 1 74 74 ASN CA C 74 52.724 52.724 53.721 -0.997 25919 10717 1 17 . 1 1 74 74 ASN CB C 74 39.579 39.579 39.086 0.493 25919 10718 1 17 . 1 1 74 74 ASN H H 74 8.949 8.949 7.836 1.113 25919 10719 1 17 . 1 1 75 75 ALA N N 75 124.274 124.274 122.820 1.454 25919 10720 1 17 . 1 1 75 75 ALA HA H 75 3.972 3.972 4.020 -0.048 25919 10721 1 17 . 1 1 75 75 ALA C C 75 178.113 178.113 178.721 -0.608 25919 10722 1 17 . 1 1 75 75 ALA CA C 75 54.900 54.900 54.948 -0.048 25919 10723 1 17 . 1 1 75 75 ALA CB C 75 18.708 18.708 18.678 0.030 25919 10724 1 17 . 1 1 75 75 ALA H H 75 8.690 8.690 8.579 0.111 25919 10725 1 17 . 1 1 76 76 ASN N N 76 112.911 112.911 114.666 -1.755 25919 10726 1 17 . 1 1 76 76 ASN HA H 76 4.589 4.589 4.607 -0.018 25919 10727 1 17 . 1 1 76 76 ASN C C 76 175.515 175.515 175.484 0.031 25919 10728 1 17 . 1 1 76 76 ASN CA C 76 53.276 53.276 54.099 -0.822 25919 10729 1 17 . 1 1 76 76 ASN CB C 76 38.343 38.343 38.623 -0.280 25919 10730 1 17 . 1 1 76 76 ASN H H 76 8.340 8.340 8.102 0.238 25919 10731 1 17 . 1 1 77 77 GLN N N 77 121.144 121.144 120.387 0.757 25919 10732 1 17 . 1 1 77 77 GLN HA H 77 4.287 4.287 4.397 -0.110 25919 10733 1 17 . 1 1 77 77 GLN C C 77 175.053 175.053 174.967 0.086 25919 10734 1 17 . 1 1 77 77 GLN CA C 77 55.856 55.856 54.894 0.962 25919 10735 1 17 . 1 1 77 77 GLN CB C 77 30.320 30.320 29.632 0.688 25919 10736 1 17 . 1 1 77 77 GLN H H 77 7.546 7.546 7.671 -0.125 25919 10737 1 17 . 1 1 78 78 ALA N N 78 131.146 131.146 130.138 1.008 25919 10738 1 17 . 1 1 78 78 ALA HA H 78 4.179 4.179 4.210 -0.031 25919 10739 1 17 . 1 1 78 78 ALA C C 78 176.453 176.453 176.272 0.181 25919 10740 1 17 . 1 1 78 78 ALA CA C 78 52.852 52.852 52.967 -0.114 25919 10741 1 17 . 1 1 78 78 ALA CB C 78 20.074 20.074 19.372 0.702 25919 10742 1 17 . 1 1 78 78 ALA H H 78 8.730 8.730 8.602 0.128 25919 10743 1 17 . 1 1 79 79 PHE N N 79 119.860 119.860 123.475 -3.615 25919 10744 1 17 . 1 1 79 79 PHE HA H 79 4.453 4.453 4.873 -0.420 25919 10745 1 17 . 1 1 79 79 PHE C C 79 171.834 171.834 172.508 -0.674 25919 10746 1 17 . 1 1 79 79 PHE CA C 79 59.115 59.115 57.476 1.639 25919 10747 1 17 . 1 1 79 79 PHE CB C 79 42.246 42.246 42.126 0.120 25919 10748 1 17 . 1 1 79 79 PHE H H 79 7.601 7.601 7.758 -0.157 25919 10749 1 17 . 1 1 80 80 PHE N N 80 126.800 126.800 123.416 3.384 25919 10750 1 17 . 1 1 80 80 PHE HA H 80 4.396 4.396 4.391 0.005 25919 10751 1 17 . 1 1 80 80 PHE C C 80 173.169 173.169 172.998 0.171 25919 10752 1 17 . 1 1 80 80 PHE CA C 80 56.859 56.859 56.318 0.541 25919 10753 1 17 . 1 1 80 80 PHE CB C 80 41.946 41.946 43.198 -1.252 25919 10754 1 17 . 1 1 80 80 PHE H H 80 8.504 8.504 8.578 -0.074 25919 10755 1 17 . 1 1 81 81 LEU N N 81 122.590 122.590 125.201 -2.611 25919 10756 1 17 . 1 1 81 81 LEU HA H 81 4.902 4.902 4.750 0.152 25919 10757 1 17 . 1 1 81 81 LEU CA C 81 53.108 53.108 54.259 -1.151 25919 10758 1 17 . 1 1 81 81 LEU CB C 81 45.781 45.781 42.910 2.871 25919 10759 1 17 . 1 1 81 81 LEU H H 81 8.159 8.159 8.502 -0.343 25919 10760 1 17 . 1 1 82 82 LEU N N 82 126.414 126.414 128.215 -1.801 25919 10761 1 17 . 1 1 82 82 LEU HA H 82 4.807 4.807 4.726 0.081 25919 10762 1 17 . 1 1 82 82 LEU C C 82 174.204 174.204 176.301 -2.097 25919 10763 1 17 . 1 1 82 82 LEU CA C 82 54.200 54.200 53.402 0.798 25919 10764 1 17 . 1 1 82 82 LEU CB C 82 43.650 43.650 41.570 2.080 25919 10765 1 17 . 1 1 82 82 LEU H H 82 9.347 9.347 9.244 0.103 25919 10766 1 17 . 1 1 83 83 VAL N N 83 123.910 123.910 125.251 -1.341 25919 10767 1 17 . 1 1 83 83 VAL HA H 83 4.466 4.466 3.942 0.524 25919 10768 1 17 . 1 1 83 83 VAL C C 83 175.891 175.891 176.693 -0.802 25919 10769 1 17 . 1 1 83 83 VAL CA C 83 61.339 61.339 63.380 -2.041 25919 10770 1 17 . 1 1 83 83 VAL CB C 83 34.013 34.013 31.907 2.106 25919 10771 1 17 . 1 1 83 83 VAL H H 83 8.676 8.676 8.223 0.453 25919 10772 1 17 . 1 1 84 84 ASN N N 84 127.149 127.149 126.923 0.226 25919 10773 1 17 . 1 1 84 84 ASN HA H 84 4.384 4.384 4.433 -0.049 25919 10774 1 17 . 1 1 84 84 ASN CA C 84 54.494 54.494 54.134 0.360 25919 10775 1 17 . 1 1 84 84 ASN CB C 84 37.933 37.933 37.562 0.371 25919 10776 1 17 . 1 1 84 84 ASN H H 84 9.630 9.630 9.191 0.439 25919 10777 1 17 . 1 1 85 85 GLY N N 85 101.905 101.905 101.636 0.269 25919 10778 1 17 . 1 1 85 85 GLY C C 85 175.112 175.112 172.608 2.504 25919 10779 1 17 . 1 1 85 85 GLY CA C 85 45.624 45.624 45.494 0.130 25919 10780 1 17 . 1 1 85 85 GLY H H 85 8.670 8.670 7.879 0.791 25919 10781 1 17 . 1 1 86 86 HIS N N 86 117.905 117.905 117.781 0.124 25919 10782 1 17 . 1 1 86 86 HIS HA H 86 5.039 5.039 4.985 0.054 25919 10783 1 17 . 1 1 86 86 HIS CA C 86 53.890 53.890 53.669 0.221 25919 10784 1 17 . 1 1 86 86 HIS CB C 86 30.888 30.888 32.792 -1.905 25919 10785 1 17 . 1 1 86 86 HIS H H 86 7.927 7.927 7.678 0.249 25919 10786 1 17 . 1 1 87 87 SER N N 87 118.646 118.646 117.745 0.901 25919 10787 1 17 . 1 1 87 87 SER HA H 87 4.397 4.397 4.564 -0.167 25919 10788 1 17 . 1 1 87 87 SER C C 87 175.275 175.275 174.885 0.390 25919 10789 1 17 . 1 1 87 87 SER CA C 87 58.414 58.414 59.005 -0.591 25919 10790 1 17 . 1 1 87 87 SER CB C 87 63.772 63.772 63.496 0.276 25919 10791 1 17 . 1 1 87 87 SER H H 87 8.927 8.927 8.411 0.516 25919 10792 1 17 . 1 1 88 88 MET N N 88 126.013 126.013 126.787 -0.774 25919 10793 1 17 . 1 1 88 88 MET HA H 88 4.851 4.851 4.828 0.023 25919 10794 1 17 . 1 1 88 88 MET C C 88 178.796 178.796 177.500 1.296 25919 10795 1 17 . 1 1 88 88 MET CA C 88 54.727 54.727 53.675 1.052 25919 10796 1 17 . 1 1 88 88 MET CB C 88 33.309 33.309 32.429 0.880 25919 10797 1 17 . 1 1 88 88 MET H H 88 9.088 9.088 8.667 0.421 25919 10798 1 17 . 1 1 89 89 VAL N N 89 121.153 121.153 120.160 0.993 25919 10799 1 17 . 1 1 89 89 VAL HA H 89 4.057 4.057 3.794 0.263 25919 10800 1 17 . 1 1 89 89 VAL C C 89 176.695 176.695 176.440 0.255 25919 10801 1 17 . 1 1 89 89 VAL CA C 89 63.592 63.592 65.581 -1.989 25919 10802 1 17 . 1 1 89 89 VAL CB C 89 32.422 32.422 30.732 1.690 25919 10803 1 17 . 1 1 89 89 VAL H H 89 8.144 8.144 7.497 0.647 25919 10804 1 17 . 1 1 90 90 SER N N 90 116.778 116.778 114.235 2.543 25919 10805 1 17 . 1 1 90 90 SER HA H 90 4.561 4.561 4.458 0.103 25919 10806 1 17 . 1 1 90 90 SER C C 90 173.898 173.898 173.999 -0.101 25919 10807 1 17 . 1 1 90 90 SER CA C 90 57.895 57.895 58.455 -0.560 25919 10808 1 17 . 1 1 90 90 SER CB C 90 63.133 63.133 63.309 -0.176 25919 10809 1 17 . 1 1 90 90 SER H H 90 8.322 8.322 8.106 0.216 25919 10810 1 17 . 1 1 91 91 VAL N N 91 120.735 120.735 123.482 -2.747 25919 10811 1 17 . 1 1 91 91 VAL HA H 91 4.286 4.286 4.060 0.226 25919 10812 1 17 . 1 1 91 91 VAL CA C 91 62.846 62.846 62.463 0.383 25919 10813 1 17 . 1 1 91 91 VAL CB C 91 32.069 32.069 32.063 0.006 25919 10814 1 17 . 1 1 91 91 VAL H H 91 8.036 8.036 7.534 0.502 25919 10815 1 17 . 1 1 92 92 SER N N 92 118.146 118.146 122.633 -4.487 25919 10816 1 17 . 1 1 92 92 SER HA H 92 4.549 4.549 4.444 0.105 25919 10817 1 17 . 1 1 92 92 SER CA C 92 57.813 57.813 58.588 -0.775 25919 10818 1 17 . 1 1 92 92 SER CB C 92 63.488 63.488 63.339 0.149 25919 10819 1 17 . 1 1 92 92 SER H H 92 8.470 8.470 8.740 -0.270 25919 10820 1 17 . 1 1 93 93 THR N N 93 119.747 119.747 119.863 -0.116 25919 10821 1 17 . 1 1 93 93 THR HA H 93 4.467 4.467 4.453 0.014 25919 10822 1 17 . 1 1 93 93 THR CA C 93 61.005 61.005 61.383 -0.377 25919 10823 1 17 . 1 1 93 93 THR CB C 93 70.592 70.592 69.628 0.964 25919 10824 1 17 . 1 1 93 93 THR H H 93 7.382 7.382 7.560 -0.178 25919 10825 1 17 . 1 1 94 94 PRO HA H 94 4.424 4.424 4.477 -0.053 25919 10826 1 17 . 1 1 94 94 PRO CA C 94 63.060 63.060 63.081 -0.021 25919 10827 1 17 . 1 1 94 94 PRO CB C 94 32.798 32.798 32.278 0.520 25919 10828 1 17 . 1 1 95 95 ILE N N 95 124.894 124.894 123.392 1.502 25919 10829 1 17 . 1 1 95 95 ILE HA H 95 3.984 3.984 3.879 0.105 25919 10830 1 17 . 1 1 95 95 ILE CA C 95 63.963 63.963 62.632 1.331 25919 10831 1 17 . 1 1 95 95 ILE CB C 95 38.200 38.200 38.306 -0.106 25919 10832 1 17 . 1 1 95 95 ILE H H 95 9.358 9.358 8.761 0.597 25919 10833 1 17 . 1 1 96 96 SER N N 96 117.523 117.523 115.777 1.746 25919 10834 1 17 . 1 1 96 96 SER HA H 96 4.004 4.004 4.212 -0.208 25919 10835 1 17 . 1 1 96 96 SER CA C 96 61.700 61.700 61.826 -0.126 25919 10836 1 17 . 1 1 96 96 SER CB C 96 61.400 61.400 62.704 -1.304 25919 10837 1 17 . 1 1 96 96 SER H H 96 8.202 8.202 8.164 0.038 25919 10838 1 17 . 1 1 97 97 GLU N N 97 123.657 123.657 122.634 1.023 25919 10839 1 17 . 1 1 97 97 GLU HA H 97 4.282 4.282 4.220 0.062 25919 10840 1 17 . 1 1 97 97 GLU CA C 97 58.700 58.700 58.833 -0.133 25919 10841 1 17 . 1 1 97 97 GLU CB C 97 29.800 29.800 29.348 0.452 25919 10842 1 17 . 1 1 97 97 GLU H H 97 7.301 7.301 7.746 -0.445 25919 10843 1 17 . 1 1 98 98 VAL N N 98 121.907 121.907 119.919 1.988 25919 10844 1 17 . 1 1 98 98 VAL HA H 98 3.797 3.797 3.733 0.064 25919 10845 1 17 . 1 1 98 98 VAL CA C 98 65.949 65.949 66.451 -0.502 25919 10846 1 17 . 1 1 98 98 VAL CB C 98 32.186 32.186 31.203 0.983 25919 10847 1 17 . 1 1 98 98 VAL H H 98 7.410 7.410 7.615 -0.205 25919 10848 1 17 . 1 1 99 99 TYR N N 99 119.526 119.526 122.020 -2.494 25919 10849 1 17 . 1 1 99 99 TYR HA H 99 4.016 4.016 3.976 0.040 25919 10850 1 17 . 1 1 99 99 TYR C C 99 175.741 175.741 177.210 -1.469 25919 10851 1 17 . 1 1 99 99 TYR CA C 99 62.229 62.229 62.103 0.126 25919 10852 1 17 . 1 1 99 99 TYR CB C 99 38.967 38.967 38.418 0.549 25919 10853 1 17 . 1 1 99 99 TYR H H 99 9.071 9.071 8.531 0.540 25919 10854 1 17 . 1 1 100 100 GLU N N 100 114.405 114.405 117.899 -3.494 25919 10855 1 17 . 1 1 100 100 GLU HA H 100 3.850 3.850 3.539 0.311 25919 10856 1 17 . 1 1 100 100 GLU C C 100 178.094 178.094 178.913 -0.819 25919 10857 1 17 . 1 1 100 100 GLU CA C 100 58.920 58.920 59.308 -0.388 25919 10858 1 17 . 1 1 100 100 GLU CB C 100 29.481 29.481 29.252 0.229 25919 10859 1 17 . 1 1 100 100 GLU H H 100 7.342 7.342 8.313 -0.971 25919 10860 1 17 . 1 1 101 101 SER N N 101 109.656 109.656 114.473 -4.817 25919 10861 1 17 . 1 1 101 101 SER HA H 101 4.529 4.529 4.326 0.203 25919 10862 1 17 . 1 1 101 101 SER C C 101 176.681 176.681 176.074 0.607 25919 10863 1 17 . 1 1 101 101 SER CA C 101 60.313 60.313 61.401 -1.088 25919 10864 1 17 . 1 1 101 101 SER CB C 101 64.703 64.703 63.722 0.981 25919 10865 1 17 . 1 1 101 101 SER H H 101 7.410 7.410 7.755 -0.345 25919 10866 1 17 . 1 1 102 102 GLU N N 102 117.283 117.283 117.394 -0.111 25919 10867 1 17 . 1 1 102 102 GLU HA H 102 4.721 4.721 4.628 0.093 25919 10868 1 17 . 1 1 102 102 GLU CA C 102 55.592 55.592 54.862 0.730 25919 10869 1 17 . 1 1 102 102 GLU CB C 102 30.564 30.564 30.691 -0.127 25919 10870 1 17 . 1 1 102 102 GLU H H 102 8.500 8.500 8.299 0.201 25919 10871 1 17 . 1 1 103 103 LYS N N 103 118.772 118.772 120.886 -2.114 25919 10872 1 17 . 1 1 103 103 LYS HA H 103 4.179 4.179 4.336 -0.157 25919 10873 1 17 . 1 1 103 103 LYS C C 103 175.032 175.032 176.532 -1.500 25919 10874 1 17 . 1 1 103 103 LYS CA C 103 57.154 57.154 55.940 1.214 25919 10875 1 17 . 1 1 103 103 LYS CB C 103 32.238 32.238 31.974 0.264 25919 10876 1 17 . 1 1 103 103 LYS H H 103 7.777 7.777 7.631 0.146 25919 10877 1 17 . 1 1 104 104 ASP N N 104 124.024 124.024 124.415 -0.391 25919 10878 1 17 . 1 1 104 104 ASP HA H 104 5.032 5.032 4.568 0.464 25919 10879 1 17 . 1 1 104 104 ASP C C 104 177.548 177.548 177.235 0.313 25919 10880 1 17 . 1 1 104 104 ASP CA C 104 53.882 53.882 52.889 0.993 25919 10881 1 17 . 1 1 104 104 ASP CB C 104 43.420 43.420 42.444 0.976 25919 10882 1 17 . 1 1 104 104 ASP H H 104 9.030 9.030 8.660 0.370 25919 10883 1 17 . 1 1 105 105 GLU N N 105 125.669 125.669 119.944 5.725 25919 10884 1 17 . 1 1 105 105 GLU HA H 105 4.179 4.179 3.984 0.195 25919 10885 1 17 . 1 1 105 105 GLU CA C 105 59.526 59.526 59.064 0.462 25919 10886 1 17 . 1 1 105 105 GLU CB C 105 30.036 30.036 29.475 0.561 25919 10887 1 17 . 1 1 105 105 GLU H H 105 8.894 8.894 8.685 0.209 25919 10888 1 17 . 1 1 106 106 ASP N N 106 119.257 119.257 116.560 2.697 25919 10889 1 17 . 1 1 106 106 ASP HA H 106 4.180 4.180 4.682 -0.502 25919 10890 1 17 . 1 1 106 106 ASP C C 106 176.018 176.018 176.289 -0.271 25919 10891 1 17 . 1 1 106 106 ASP CA C 106 54.750 54.750 53.651 1.099 25919 10892 1 17 . 1 1 106 106 ASP CB C 106 40.250 40.250 40.698 -0.448 25919 10893 1 17 . 1 1 106 106 ASP H H 106 9.838 9.838 7.812 2.026 25919 10894 1 17 . 1 1 107 107 GLY N N 107 106.307 106.307 107.195 -0.888 25919 10895 1 17 . 1 1 107 107 GLY CA C 107 45.125 45.125 45.465 -0.340 25919 10896 1 17 . 1 1 107 107 GLY H H 107 7.945 7.945 7.753 0.192 25919 10897 1 17 . 1 1 108 108 PHE N N 108 124.389 124.389 115.894 8.495 25919 10898 1 17 . 1 1 108 108 PHE HA H 108 4.670 4.670 4.535 0.135 25919 10899 1 17 . 1 1 108 108 PHE C C 108 179.501 179.501 175.123 4.378 25919 10900 1 17 . 1 1 108 108 PHE CA C 108 60.288 60.288 55.853 4.435 25919 10901 1 17 . 1 1 108 108 PHE CB C 108 40.506 40.506 39.344 1.162 25919 10902 1 17 . 1 1 108 108 PHE H H 108 9.739 9.739 6.877 2.862 25919 10903 1 17 . 1 1 109 109 LEU N N 109 120.814 120.814 124.188 -3.374 25919 10904 1 17 . 1 1 109 109 LEU HA H 109 5.038 5.038 4.645 0.393 25919 10905 1 17 . 1 1 109 109 LEU CA C 109 53.479 53.479 54.088 -0.609 25919 10906 1 17 . 1 1 109 109 LEU CB C 109 45.197 45.197 42.620 2.577 25919 10907 1 17 . 1 1 109 109 LEU H H 109 7.968 7.968 9.071 -1.103 25919 10908 1 17 . 1 1 110 110 TYR N N 110 127.403 127.403 130.249 -2.846 25919 10909 1 17 . 1 1 110 110 TYR HA H 110 4.907 4.907 4.898 0.009 25919 10910 1 17 . 1 1 110 110 TYR CA C 110 59.259 59.259 57.236 2.023 25919 10911 1 17 . 1 1 110 110 TYR CB C 110 39.469 39.469 40.035 -0.566 25919 10912 1 17 . 1 1 110 110 TYR H H 110 9.349 9.349 8.194 1.155 25919 10913 1 17 . 1 1 111 111 MET N N 111 120.344 120.344 126.515 -6.171 25919 10914 1 17 . 1 1 111 111 MET HA H 111 5.543 5.543 5.084 0.459 25919 10915 1 17 . 1 1 111 111 MET CA C 111 54.341 54.341 53.937 0.404 25919 10916 1 17 . 1 1 111 111 MET CB C 111 36.894 36.894 36.852 0.042 25919 10917 1 17 . 1 1 111 111 MET H H 111 9.575 9.575 8.868 0.707 25919 10918 1 17 . 1 1 112 112 VAL N N 112 121.026 121.026 117.118 3.908 25919 10919 1 17 . 1 1 112 112 VAL HA H 112 5.938 5.938 5.323 0.615 25919 10920 1 17 . 1 1 112 112 VAL C C 112 176.696 176.696 173.790 2.906 25919 10921 1 17 . 1 1 112 112 VAL CA C 112 59.068 59.068 58.739 0.330 25919 10922 1 17 . 1 1 112 112 VAL CB C 112 36.180 36.180 35.783 0.397 25919 10923 1 17 . 1 1 112 112 VAL H H 112 8.730 8.730 8.827 -0.097 25919 10924 1 17 . 1 1 113 113 TYR N N 113 119.995 119.995 116.569 3.426 25919 10925 1 17 . 1 1 113 113 TYR HA H 113 6.143 6.143 5.793 0.350 25919 10926 1 17 . 1 1 113 113 TYR C C 113 173.533 173.533 173.728 -0.195 25919 10927 1 17 . 1 1 113 113 TYR CA C 113 54.165 54.165 55.024 -0.859 25919 10928 1 17 . 1 1 113 113 TYR CB C 113 43.667 43.667 41.842 1.825 25919 10929 1 17 . 1 1 113 113 TYR H H 113 8.172 8.172 8.323 -0.151 25919 10930 1 17 . 1 1 114 114 ALA N N 114 120.454 120.454 123.085 -2.631 25919 10931 1 17 . 1 1 114 114 ALA HA H 114 4.750 4.750 5.028 -0.278 25919 10932 1 17 . 1 1 114 114 ALA C C 114 176.007 176.007 176.037 -0.030 25919 10933 1 17 . 1 1 114 114 ALA CA C 114 51.356 51.356 51.521 -0.165 25919 10934 1 17 . 1 1 114 114 ALA CB C 114 24.623 24.623 21.883 2.740 25919 10935 1 17 . 1 1 114 114 ALA H H 114 8.499 8.499 8.751 -0.252 25919 10936 1 17 . 1 1 115 115 SER N N 115 115.279 115.279 115.136 0.143 25919 10937 1 17 . 1 1 115 115 SER HA H 115 4.505 4.505 4.517 -0.012 25919 10938 1 17 . 1 1 115 115 SER C C 115 172.860 172.860 173.776 -0.916 25919 10939 1 17 . 1 1 115 115 SER CA C 115 58.837 58.837 60.023 -1.186 25919 10940 1 17 . 1 1 115 115 SER CB C 115 63.798 63.798 62.877 0.922 25919 10941 1 17 . 1 1 115 115 SER H H 115 9.823 9.823 9.029 0.794 25919 10942 1 17 . 1 1 116 116 GLN N N 116 117.398 117.398 117.245 0.153 25919 10943 1 17 . 1 1 116 116 GLN HA H 116 4.453 4.453 4.422 0.031 25919 10944 1 17 . 1 1 116 116 GLN C C 116 173.181 173.181 173.864 -0.683 25919 10945 1 17 . 1 1 116 116 GLN CA C 116 54.024 54.024 54.414 -0.391 25919 10946 1 17 . 1 1 116 116 GLN CB C 116 32.179 32.179 30.907 1.272 25919 10947 1 17 . 1 1 116 116 GLN H H 116 7.165 7.165 7.497 -0.332 25919 10948 1 17 . 1 1 117 117 GLU N N 117 118.885 118.885 118.044 0.841 25919 10949 1 17 . 1 1 117 117 GLU HA H 117 3.224 3.224 3.411 -0.187 25919 10950 1 17 . 1 1 117 117 GLU C C 117 175.451 175.451 175.441 0.010 25919 10951 1 17 . 1 1 117 117 GLU CA C 117 56.917 56.917 57.641 -0.723 25919 10952 1 17 . 1 1 117 117 GLU CB C 117 30.206 30.206 29.648 0.557 25919 10953 1 17 . 1 1 117 117 GLU H H 117 7.873 7.873 8.175 -0.302 25919 10954 1 17 . 1 1 118 118 THR N N 118 110.883 110.883 111.131 -0.248 25919 10955 1 17 . 1 1 118 118 THR HA H 118 4.074 4.074 4.426 -0.352 25919 10956 1 17 . 1 1 118 118 THR C C 118 173.234 173.234 172.780 0.454 25919 10957 1 17 . 1 1 118 118 THR CA C 118 60.300 60.300 59.785 0.515 25919 10958 1 17 . 1 1 118 118 THR CB C 118 70.118 70.118 70.323 -0.205 25919 10959 1 17 . 1 1 118 118 THR H H 118 6.988 6.988 7.248 -0.260 25919 10960 1 17 . 1 1 119 119 PHE N N 119 122.773 122.773 119.747 3.026 25919 10961 1 17 . 1 1 119 119 PHE HA H 119 4.397 4.397 4.996 -0.599 25919 10962 1 17 . 1 1 119 119 PHE C C 119 175.045 175.045 175.338 -0.293 25919 10963 1 17 . 1 1 119 119 PHE CA C 119 56.810 56.810 55.775 1.035 25919 10964 1 17 . 1 1 119 119 PHE CB C 119 39.349 39.349 38.817 0.532 25919 10965 1 17 . 1 1 119 119 PHE H H 119 8.122 8.122 8.276 -0.154 25919 10966 1 18 . 1 1 2 2 PRO HA H 2 4.424 4.424 4.510 -0.086 25919 10967 1 18 . 1 1 2 2 PRO C C 2 176.917 176.917 176.542 0.375 25919 10968 1 18 . 1 1 2 2 PRO CA C 2 63.418 63.418 63.196 0.223 25919 10969 1 18 . 1 1 2 2 PRO CB C 2 32.160 32.160 32.159 0.001 25919 10970 1 18 . 1 1 3 3 SER N N 3 116.273 116.273 115.165 1.108 25919 10971 1 18 . 1 1 3 3 SER HA H 3 4.389 4.389 4.325 0.064 25919 10972 1 18 . 1 1 3 3 SER C C 3 174.762 174.762 175.577 -0.815 25919 10973 1 18 . 1 1 3 3 SER CA C 3 58.472 58.472 59.148 -0.676 25919 10974 1 18 . 1 1 3 3 SER CB C 3 63.913 63.913 63.306 0.607 25919 10975 1 18 . 1 1 3 3 SER H H 3 8.366 8.366 8.056 0.310 25919 10976 1 18 . 1 1 4 4 GLU N N 4 123.959 123.959 125.666 -1.707 25919 10977 1 18 . 1 1 4 4 GLU HA H 4 4.289 4.289 3.861 0.428 25919 10978 1 18 . 1 1 4 4 GLU C C 4 176.545 176.545 176.108 0.437 25919 10979 1 18 . 1 1 4 4 GLU CA C 4 56.785 56.785 59.011 -2.226 25919 10980 1 18 . 1 1 4 4 GLU CB C 4 30.200 30.200 29.078 1.122 25919 10981 1 18 . 1 1 4 4 GLU H H 4 8.513 8.513 8.997 -0.484 25919 10982 1 18 . 1 1 5 5 LYS N N 5 122.165 122.165 119.912 2.253 25919 10983 1 18 . 1 1 5 5 LYS HA H 5 4.508 4.508 4.385 0.123 25919 10984 1 18 . 1 1 5 5 LYS C C 5 177.178 177.178 175.993 1.185 25919 10985 1 18 . 1 1 5 5 LYS CA C 5 56.000 56.000 56.183 -0.183 25919 10986 1 18 . 1 1 5 5 LYS CB C 5 34.758 34.758 33.003 1.755 25919 10987 1 18 . 1 1 5 5 LYS H H 5 8.198 8.198 8.066 0.132 25919 10988 1 18 . 1 1 6 6 THR N N 6 115.586 115.586 112.223 3.363 25919 10989 1 18 . 1 1 6 6 THR HA H 6 4.426 4.426 4.257 0.169 25919 10990 1 18 . 1 1 6 6 THR C C 6 175.570 175.570 176.386 -0.816 25919 10991 1 18 . 1 1 6 6 THR CA C 6 61.120 61.120 61.405 -0.285 25919 10992 1 18 . 1 1 6 6 THR CB C 6 69.871 69.871 69.633 0.238 25919 10993 1 18 . 1 1 6 6 THR H H 6 8.423 8.423 7.995 0.428 25919 10994 1 18 . 1 1 7 7 PHE N N 7 126.100 126.100 119.201 6.899 25919 10995 1 18 . 1 1 7 7 PHE HA H 7 3.935 3.935 4.376 -0.441 25919 10996 1 18 . 1 1 7 7 PHE CA C 7 63.687 63.687 59.860 3.827 25919 10997 1 18 . 1 1 7 7 PHE CB C 7 39.656 39.656 38.286 1.370 25919 10998 1 18 . 1 1 7 7 PHE H H 7 10.276 10.276 8.606 1.670 25919 10999 1 18 . 1 1 8 8 LYS N N 8 115.026 115.026 120.697 -5.671 25919 11000 1 18 . 1 1 8 8 LYS HA H 8 3.800 3.800 4.301 -0.501 25919 11001 1 18 . 1 1 8 8 LYS CA C 8 59.944 59.944 57.511 2.433 25919 11002 1 18 . 1 1 8 8 LYS CB C 8 33.852 33.852 31.512 2.340 25919 11003 1 18 . 1 1 8 8 LYS H H 8 8.707 8.707 7.104 1.603 25919 11004 1 18 . 1 1 9 9 GLN N N 9 113.774 113.774 117.360 -3.586 25919 11005 1 18 . 1 1 9 9 GLN HA H 9 4.178 4.178 4.133 0.045 25919 11006 1 18 . 1 1 9 9 GLN C C 9 173.193 173.193 177.073 -3.880 25919 11007 1 18 . 1 1 9 9 GLN CA C 9 56.741 56.741 57.965 -1.224 25919 11008 1 18 . 1 1 9 9 GLN CB C 9 30.065 30.065 29.070 0.995 25919 11009 1 18 . 1 1 9 9 GLN H H 9 7.343 7.343 7.541 -0.198 25919 11010 1 18 . 1 1 10 10 ARG N N 10 119.156 119.156 116.808 2.348 25919 11011 1 18 . 1 1 10 10 ARG HA H 10 4.248 4.248 4.509 -0.261 25919 11012 1 18 . 1 1 10 10 ARG CA C 10 57.555 57.555 56.432 1.123 25919 11013 1 18 . 1 1 10 10 ARG CB C 10 31.771 31.771 32.636 -0.865 25919 11014 1 18 . 1 1 10 10 ARG H H 10 7.912 7.912 8.040 -0.128 25919 11015 1 18 . 1 1 11 11 ARG N N 11 120.777 120.777 122.722 -1.945 25919 11016 1 18 . 1 1 11 11 ARG HA H 11 4.685 4.685 4.594 0.091 25919 11017 1 18 . 1 1 11 11 ARG CA C 11 53.161 53.161 54.901 -1.740 25919 11018 1 18 . 1 1 11 11 ARG CB C 11 32.773 32.773 30.544 2.228 25919 11019 1 18 . 1 1 11 11 ARG H H 11 7.341 7.341 8.535 -1.194 25919 11020 1 18 . 1 1 12 12 THR N N 12 116.696 116.696 117.388 -0.692 25919 11021 1 18 . 1 1 12 12 THR HA H 12 4.358 4.358 4.643 -0.285 25919 11022 1 18 . 1 1 12 12 THR C C 12 175.056 175.056 175.534 -0.478 25919 11023 1 18 . 1 1 12 12 THR CA C 12 61.795 61.795 60.170 1.625 25919 11024 1 18 . 1 1 12 12 THR CB C 12 71.050 71.050 70.696 0.354 25919 11025 1 18 . 1 1 12 12 THR H H 12 8.855 8.855 8.227 0.628 25919 11026 1 18 . 1 1 13 13 PHE N N 13 123.894 123.894 122.551 1.343 25919 11027 1 18 . 1 1 13 13 PHE HA H 13 4.043 4.043 4.112 -0.069 25919 11028 1 18 . 1 1 13 13 PHE C C 13 176.234 176.234 176.859 -0.625 25919 11029 1 18 . 1 1 13 13 PHE CA C 13 62.947 62.947 62.575 0.372 25919 11030 1 18 . 1 1 13 13 PHE CB C 13 39.571 39.571 38.852 0.718 25919 11031 1 18 . 1 1 13 13 PHE H H 13 9.221 9.221 8.977 0.244 25919 11032 1 18 . 1 1 14 14 GLU N N 14 116.516 116.516 116.832 -0.316 25919 11033 1 18 . 1 1 14 14 GLU HA H 14 3.812 3.812 3.825 -0.013 25919 11034 1 18 . 1 1 14 14 GLU CA C 14 60.699 60.699 60.169 0.530 25919 11035 1 18 . 1 1 14 14 GLU CB C 14 28.943 28.943 28.757 0.186 25919 11036 1 18 . 1 1 14 14 GLU H H 14 9.002 9.002 8.990 0.012 25919 11037 1 18 . 1 1 15 15 GLN N N 15 119.291 119.291 118.210 1.081 25919 11038 1 18 . 1 1 15 15 GLN HA H 15 4.024 4.024 4.098 -0.074 25919 11039 1 18 . 1 1 15 15 GLN C C 15 175.263 175.263 178.591 -3.328 25919 11040 1 18 . 1 1 15 15 GLN CA C 15 58.800 58.800 58.571 0.230 25919 11041 1 18 . 1 1 15 15 GLN CB C 15 29.300 29.300 28.620 0.679 25919 11042 1 18 . 1 1 15 15 GLN H H 15 7.706 7.706 7.540 0.166 25919 11043 1 18 . 1 1 16 16 ARG N N 16 122.883 122.883 119.962 2.921 25919 11044 1 18 . 1 1 16 16 ARG HA H 16 4.235 4.235 4.307 -0.072 25919 11045 1 18 . 1 1 16 16 ARG CA C 16 61.660 61.660 57.043 4.617 25919 11046 1 18 . 1 1 16 16 ARG CB C 16 30.877 30.877 29.323 1.554 25919 11047 1 18 . 1 1 16 16 ARG H H 16 8.567 8.567 8.195 0.372 25919 11048 1 18 . 1 1 17 17 VAL N N 17 118.523 118.523 121.309 -2.786 25919 11049 1 18 . 1 1 17 17 VAL HA H 17 3.865 3.865 3.730 0.135 25919 11050 1 18 . 1 1 17 17 VAL C C 17 174.213 174.213 178.247 -4.034 25919 11051 1 18 . 1 1 17 17 VAL CA C 17 65.550 65.550 66.395 -0.845 25919 11052 1 18 . 1 1 17 17 VAL CB C 17 32.171 32.171 31.354 0.818 25919 11053 1 18 . 1 1 17 17 VAL H H 17 8.430 8.430 8.198 0.232 25919 11054 1 18 . 1 1 18 18 GLU N N 18 120.170 120.170 119.981 0.189 25919 11055 1 18 . 1 1 18 18 GLU HA H 18 4.212 4.212 3.874 0.338 25919 11056 1 18 . 1 1 18 18 GLU C C 18 175.758 175.758 178.901 -3.143 25919 11057 1 18 . 1 1 18 18 GLU CA C 18 58.488 58.488 59.861 -1.373 25919 11058 1 18 . 1 1 18 18 GLU CB C 18 29.360 29.360 29.289 0.071 25919 11059 1 18 . 1 1 18 18 GLU H H 18 7.423 7.423 8.230 -0.807 25919 11060 1 18 . 1 1 19 19 ASP N N 19 121.273 121.273 120.676 0.597 25919 11061 1 18 . 1 1 19 19 ASP HA H 19 4.384 4.384 4.349 0.035 25919 11062 1 18 . 1 1 19 19 ASP C C 19 177.016 177.016 178.750 -1.734 25919 11063 1 18 . 1 1 19 19 ASP CA C 19 56.900 56.900 57.390 -0.490 25919 11064 1 18 . 1 1 19 19 ASP CB C 19 41.884 41.884 40.452 1.432 25919 11065 1 18 . 1 1 19 19 ASP H H 19 7.955 7.955 8.293 -0.338 25919 11066 1 18 . 1 1 20 20 VAL N N 20 119.523 119.523 119.578 -0.055 25919 11067 1 18 . 1 1 20 20 VAL HA H 20 3.232 3.232 3.346 -0.115 25919 11068 1 18 . 1 1 20 20 VAL C C 20 173.876 173.876 177.620 -3.744 25919 11069 1 18 . 1 1 20 20 VAL CA C 20 66.128 66.128 66.787 -0.659 25919 11070 1 18 . 1 1 20 20 VAL CB C 20 31.099 31.099 31.410 -0.311 25919 11071 1 18 . 1 1 20 20 VAL H H 20 7.818 7.818 7.942 -0.124 25919 11072 1 18 . 1 1 21 21 ARG N N 21 120.310 120.310 120.005 0.305 25919 11073 1 18 . 1 1 21 21 ARG HA H 21 3.803 3.803 4.029 -0.226 25919 11074 1 18 . 1 1 21 21 ARG CA C 21 59.934 59.934 58.696 1.238 25919 11075 1 18 . 1 1 21 21 ARG CB C 21 30.076 30.076 29.641 0.435 25919 11076 1 18 . 1 1 21 21 ARG H H 21 8.037 8.037 8.071 -0.034 25919 11077 1 18 . 1 1 22 22 LEU N N 22 118.660 118.660 119.549 -0.889 25919 11078 1 18 . 1 1 22 22 LEU HA H 22 4.094 4.094 3.987 0.107 25919 11079 1 18 . 1 1 22 22 LEU C C 22 177.626 177.626 179.293 -1.667 25919 11080 1 18 . 1 1 22 22 LEU CA C 22 57.738 57.738 58.167 -0.429 25919 11081 1 18 . 1 1 22 22 LEU CB C 22 42.222 42.222 41.871 0.351 25919 11082 1 18 . 1 1 22 22 LEU H H 22 8.050 8.050 8.076 -0.026 25919 11083 1 18 . 1 1 23 23 ILE N N 23 122.825 122.825 119.243 3.582 25919 11084 1 18 . 1 1 23 23 ILE HA H 23 4.122 4.122 3.757 0.365 25919 11085 1 18 . 1 1 23 23 ILE C C 23 176.226 176.226 177.829 -1.603 25919 11086 1 18 . 1 1 23 23 ILE CA C 23 61.243 61.243 64.154 -2.911 25919 11087 1 18 . 1 1 23 23 ILE CB C 23 38.268 38.268 38.002 0.266 25919 11088 1 18 . 1 1 23 23 ILE H H 23 8.390 8.390 8.248 0.142 25919 11089 1 18 . 1 1 24 24 ARG N N 24 122.365 122.365 120.314 2.051 25919 11090 1 18 . 1 1 24 24 ARG HA H 24 4.017 4.017 4.048 -0.031 25919 11091 1 18 . 1 1 24 24 ARG CA C 24 57.684 57.684 57.829 -0.145 25919 11092 1 18 . 1 1 24 24 ARG CB C 24 28.817 28.817 29.621 -0.804 25919 11093 1 18 . 1 1 24 24 ARG H H 24 8.540 8.540 8.123 0.417 25919 11094 1 18 . 1 1 25 25 GLU N N 25 118.383 118.383 119.452 -1.069 25919 11095 1 18 . 1 1 25 25 GLU HA H 25 4.044 4.044 4.073 -0.029 25919 11096 1 18 . 1 1 25 25 GLU CA C 25 58.680 58.680 58.886 -0.206 25919 11097 1 18 . 1 1 25 25 GLU CB C 25 29.850 29.850 29.701 0.148 25919 11098 1 18 . 1 1 25 25 GLU H H 25 7.287 7.287 7.652 -0.365 25919 11099 1 18 . 1 1 26 26 GLN N N 26 117.165 117.165 116.711 0.454 25919 11100 1 18 . 1 1 26 26 GLN HA H 26 3.948 3.948 4.217 -0.269 25919 11101 1 18 . 1 1 26 26 GLN C C 26 176.221 176.221 176.613 -0.392 25919 11102 1 18 . 1 1 26 26 GLN CA C 26 57.638 57.638 57.157 0.481 25919 11103 1 18 . 1 1 26 26 GLN CB C 26 30.320 30.320 29.637 0.683 25919 11104 1 18 . 1 1 26 26 GLN H H 26 7.423 7.423 8.011 -0.588 25919 11105 1 18 . 1 1 27 27 HIS N N 27 117.140 117.140 119.010 -1.870 25919 11106 1 18 . 1 1 27 27 HIS HA H 27 4.866 4.866 5.027 -0.161 25919 11107 1 18 . 1 1 27 27 HIS CA C 27 53.305 53.305 53.335 -0.030 25919 11108 1 18 . 1 1 27 27 HIS CB C 27 30.917 30.917 31.658 -0.741 25919 11109 1 18 . 1 1 27 27 HIS H H 27 8.254 8.254 7.962 0.292 25919 11110 1 18 . 1 1 28 28 PRO HA H 28 4.609 4.609 4.531 0.078 25919 11111 1 18 . 1 1 28 28 PRO CA C 28 64.881 64.881 64.452 0.429 25919 11112 1 18 . 1 1 28 28 PRO CB C 28 32.554 32.554 32.140 0.414 25919 11113 1 18 . 1 1 29 29 THR N N 29 107.339 107.339 106.780 0.559 25919 11114 1 18 . 1 1 29 29 THR HA H 29 4.644 4.644 4.121 0.523 25919 11115 1 18 . 1 1 29 29 THR C C 29 172.933 172.933 174.515 -1.582 25919 11116 1 18 . 1 1 29 29 THR CA C 29 60.600 60.600 63.247 -2.647 25919 11117 1 18 . 1 1 29 29 THR CB C 29 68.520 68.520 69.000 -0.480 25919 11118 1 18 . 1 1 29 29 THR H H 29 7.764 7.764 8.507 -0.743 25919 11119 1 18 . 1 1 30 30 LYS N N 30 118.273 118.273 120.516 -2.243 25919 11120 1 18 . 1 1 30 30 LYS HA H 30 4.926 4.926 4.977 -0.051 25919 11121 1 18 . 1 1 30 30 LYS C C 30 175.010 175.010 175.637 -0.627 25919 11122 1 18 . 1 1 30 30 LYS CA C 30 53.740 53.740 54.480 -0.740 25919 11123 1 18 . 1 1 30 30 LYS CB C 30 36.445 36.445 36.424 0.021 25919 11124 1 18 . 1 1 30 30 LYS H H 30 7.478 7.478 7.819 -0.341 25919 11125 1 18 . 1 1 31 31 ILE N N 31 123.498 123.498 123.963 -0.465 25919 11126 1 18 . 1 1 31 31 ILE HA H 31 4.139 4.139 4.128 0.011 25919 11127 1 18 . 1 1 31 31 ILE CA C 31 54.669 54.669 57.061 -2.392 25919 11128 1 18 . 1 1 31 31 ILE CB C 31 38.427 38.427 37.315 1.112 25919 11129 1 18 . 1 1 31 31 ILE H H 31 9.235 9.235 8.947 0.288 25919 11130 1 18 . 1 1 32 32 PRO HA H 32 5.212 5.212 4.856 0.356 25919 11131 1 18 . 1 1 32 32 PRO C C 32 174.832 174.832 176.003 -1.171 25919 11132 1 18 . 1 1 32 32 PRO CA C 32 61.678 61.678 62.125 -0.447 25919 11133 1 18 . 1 1 32 32 PRO CB C 32 30.993 30.993 31.367 -0.374 25919 11134 1 18 . 1 1 33 33 VAL N N 33 124.964 124.964 125.217 -0.253 25919 11135 1 18 . 1 1 33 33 VAL HA H 33 5.234 5.234 5.203 0.031 25919 11136 1 18 . 1 1 33 33 VAL CA C 33 59.611 59.611 61.265 -1.654 25919 11137 1 18 . 1 1 33 33 VAL CB C 33 35.711 35.711 35.799 -0.088 25919 11138 1 18 . 1 1 33 33 VAL H H 33 9.289 9.289 9.200 0.089 25919 11139 1 18 . 1 1 34 34 ILE N N 34 127.908 127.908 125.188 2.720 25919 11140 1 18 . 1 1 34 34 ILE HA H 34 4.742 4.742 4.732 0.010 25919 11141 1 18 . 1 1 34 34 ILE CA C 34 56.330 56.330 60.003 -3.673 25919 11142 1 18 . 1 1 34 34 ILE CB C 34 36.629 36.629 41.407 -4.778 25919 11143 1 18 . 1 1 34 34 ILE H H 34 8.594 8.594 9.238 -0.644 25919 11144 1 18 . 1 1 35 35 ILE N N 35 125.405 125.405 127.044 -1.639 25919 11145 1 18 . 1 1 35 35 ILE HA H 35 4.879 4.879 5.077 -0.198 25919 11146 1 18 . 1 1 35 35 ILE C C 35 176.126 176.126 173.570 2.556 25919 11147 1 18 . 1 1 35 35 ILE CA C 35 60.923 60.923 59.682 1.241 25919 11148 1 18 . 1 1 35 35 ILE CB C 35 38.968 38.968 41.355 -2.386 25919 11149 1 18 . 1 1 35 35 ILE H H 35 8.545 8.545 8.947 -0.402 25919 11150 1 18 . 1 1 36 36 GLU N N 36 124.153 124.153 129.055 -4.902 25919 11151 1 18 . 1 1 36 36 GLU HA H 36 4.789 4.789 4.885 -0.096 25919 11152 1 18 . 1 1 36 36 GLU C C 36 173.645 173.645 175.225 -1.580 25919 11153 1 18 . 1 1 36 36 GLU CA C 36 54.282 54.282 54.103 0.179 25919 11154 1 18 . 1 1 36 36 GLU CB C 36 35.401 35.401 34.054 1.347 25919 11155 1 18 . 1 1 36 36 GLU H H 36 8.363 8.363 8.513 -0.150 25919 11156 1 18 . 1 1 37 37 ARG N N 37 123.957 123.957 129.079 -5.122 25919 11157 1 18 . 1 1 37 37 ARG HA H 37 2.804 2.804 4.168 -1.364 25919 11158 1 18 . 1 1 37 37 ARG C C 37 176.456 176.456 175.935 0.521 25919 11159 1 18 . 1 1 37 37 ARG CA C 37 56.120 56.120 56.716 -0.596 25919 11160 1 18 . 1 1 37 37 ARG CB C 37 31.500 31.500 29.775 1.725 25919 11161 1 18 . 1 1 37 37 ARG H H 37 8.853 8.853 8.908 -0.055 25919 11162 1 18 . 1 1 38 38 TYR N N 38 129.636 129.636 128.476 1.160 25919 11163 1 18 . 1 1 38 38 TYR HA H 38 4.311 4.311 4.383 -0.072 25919 11164 1 18 . 1 1 38 38 TYR CA C 38 57.907 57.907 58.782 -0.875 25919 11165 1 18 . 1 1 38 38 TYR CB C 38 39.567 39.567 39.363 0.204 25919 11166 1 18 . 1 1 38 38 TYR H H 38 8.663 8.663 8.519 0.144 25919 11167 1 18 . 1 1 39 39 LYS N N 39 130.772 130.772 128.155 2.617 25919 11168 1 18 . 1 1 39 39 LYS HA H 39 3.848 3.848 3.810 0.038 25919 11169 1 18 . 1 1 39 39 LYS CA C 39 58.986 58.986 58.517 0.470 25919 11170 1 18 . 1 1 39 39 LYS CB C 39 31.777 31.777 31.955 -0.178 25919 11171 1 18 . 1 1 39 39 LYS H H 39 8.389 8.389 8.622 -0.233 25919 11172 1 18 . 1 1 40 40 GLY N N 40 106.013 106.013 103.786 2.227 25919 11173 1 18 . 1 1 40 40 GLY C C 40 173.407 173.407 174.153 -0.746 25919 11174 1 18 . 1 1 40 40 GLY CA C 40 44.796 44.796 44.489 0.308 25919 11175 1 18 . 1 1 40 40 GLY H H 40 5.643 5.643 6.462 -0.819 25919 11176 1 18 . 1 1 41 41 GLU N N 41 123.519 123.519 120.561 2.958 25919 11177 1 18 . 1 1 41 41 GLU HA H 41 4.265 4.265 4.529 -0.264 25919 11178 1 18 . 1 1 41 41 GLU C C 41 176.231 176.231 175.071 1.160 25919 11179 1 18 . 1 1 41 41 GLU CA C 41 56.365 56.365 56.312 0.054 25919 11180 1 18 . 1 1 41 41 GLU CB C 41 31.077 31.077 31.874 -0.797 25919 11181 1 18 . 1 1 41 41 GLU H H 41 7.464 7.464 7.459 0.005 25919 11182 1 18 . 1 1 42 42 LYS N N 42 124.405 124.405 126.274 -1.869 25919 11183 1 18 . 1 1 42 42 LYS HA H 42 4.669 4.669 4.455 0.214 25919 11184 1 18 . 1 1 42 42 LYS C C 42 177.170 177.170 176.763 0.407 25919 11185 1 18 . 1 1 42 42 LYS CA C 42 55.750 55.750 56.057 -0.307 25919 11186 1 18 . 1 1 42 42 LYS CB C 42 34.929 34.929 32.344 2.585 25919 11187 1 18 . 1 1 42 42 LYS H H 42 8.895 8.895 8.497 0.398 25919 11188 1 18 . 1 1 43 43 GLN N N 43 119.903 119.903 119.759 0.144 25919 11189 1 18 . 1 1 43 43 GLN HA H 43 4.541 4.541 4.176 0.365 25919 11190 1 18 . 1 1 43 43 GLN C C 43 177.260 177.260 176.761 0.499 25919 11191 1 18 . 1 1 43 43 GLN CA C 43 57.566 57.566 57.876 -0.310 25919 11192 1 18 . 1 1 43 43 GLN CB C 43 30.620 30.620 29.223 1.397 25919 11193 1 18 . 1 1 43 43 GLN H H 43 8.459 8.459 7.648 0.811 25919 11194 1 18 . 1 1 44 44 LEU N N 44 121.272 121.272 121.706 -0.434 25919 11195 1 18 . 1 1 44 44 LEU HA H 44 4.726 4.726 4.547 0.179 25919 11196 1 18 . 1 1 44 44 LEU CA C 44 53.165 53.165 53.351 -0.186 25919 11197 1 18 . 1 1 44 44 LEU CB C 44 43.444 43.444 41.017 2.427 25919 11198 1 18 . 1 1 44 44 LEU H H 44 9.002 9.002 8.331 0.671 25919 11199 1 18 . 1 1 45 45 PRO HA H 45 4.722 4.722 4.505 0.217 25919 11200 1 18 . 1 1 45 45 PRO CA C 45 62.169 62.169 62.927 -0.758 25919 11201 1 18 . 1 1 45 45 PRO CB C 45 32.722 32.722 32.184 0.538 25919 11202 1 18 . 1 1 46 46 VAL N N 46 118.403 118.403 123.765 -5.362 25919 11203 1 18 . 1 1 46 46 VAL HA H 46 4.009 4.009 4.330 -0.321 25919 11204 1 18 . 1 1 46 46 VAL C C 46 173.416 173.416 175.950 -2.534 25919 11205 1 18 . 1 1 46 46 VAL CA C 46 62.413 62.413 61.961 0.452 25919 11206 1 18 . 1 1 46 46 VAL CB C 46 33.087 33.087 30.236 2.851 25919 11207 1 18 . 1 1 46 46 VAL H H 46 8.349 8.349 8.451 -0.102 25919 11208 1 18 . 1 1 47 47 LEU N N 47 128.653 128.653 125.481 3.172 25919 11209 1 18 . 1 1 47 47 LEU HA H 47 4.452 4.452 4.261 0.191 25919 11210 1 18 . 1 1 47 47 LEU CA C 47 54.758 54.758 55.514 -0.756 25919 11211 1 18 . 1 1 47 47 LEU CB C 47 44.076 44.076 42.165 1.911 25919 11212 1 18 . 1 1 47 47 LEU H H 47 8.064 8.064 7.675 0.389 25919 11213 1 18 . 1 1 48 48 ASP N N 48 121.042 121.042 119.889 1.153 25919 11214 1 18 . 1 1 48 48 ASP HA H 48 4.347 4.347 4.716 -0.369 25919 11215 1 18 . 1 1 48 48 ASP CA C 48 55.600 55.600 53.493 2.107 25919 11216 1 18 . 1 1 48 48 ASP CB C 48 40.407 40.407 38.871 1.536 25919 11217 1 18 . 1 1 48 48 ASP H H 48 8.649 8.649 8.704 -0.055 25919 11218 1 18 . 1 1 49 49 LYS N N 49 118.877 118.877 119.945 -1.068 25919 11219 1 18 . 1 1 49 49 LYS HA H 49 4.541 4.541 4.506 0.035 25919 11220 1 18 . 1 1 49 49 LYS C C 49 179.744 179.744 175.879 3.865 25919 11221 1 18 . 1 1 49 49 LYS CA C 49 54.099 54.099 55.553 -1.454 25919 11222 1 18 . 1 1 49 49 LYS CB C 49 35.378 35.378 35.387 -0.009 25919 11223 1 18 . 1 1 49 49 LYS H H 49 7.287 7.287 7.930 -0.643 25919 11224 1 18 . 1 1 50 50 THR N N 50 114.691 114.691 111.941 2.750 25919 11225 1 18 . 1 1 50 50 THR HA H 50 4.628 4.628 4.761 -0.133 25919 11226 1 18 . 1 1 50 50 THR CA C 50 63.920 63.920 62.291 1.629 25919 11227 1 18 . 1 1 50 50 THR CB C 50 71.365 71.365 71.038 0.327 25919 11228 1 18 . 1 1 50 50 THR H H 50 8.064 8.064 8.121 -0.057 25919 11229 1 18 . 1 1 51 51 LYS N N 51 120.273 120.273 120.682 -0.409 25919 11230 1 18 . 1 1 51 51 LYS HA H 51 4.570 4.570 5.029 -0.460 25919 11231 1 18 . 1 1 51 51 LYS CA C 51 54.997 54.997 55.165 -0.168 25919 11232 1 18 . 1 1 51 51 LYS CB C 51 32.700 32.700 35.425 -2.724 25919 11233 1 18 . 1 1 51 51 LYS H H 51 7.192 7.192 7.250 -0.058 25919 11234 1 18 . 1 1 52 52 PHE N N 52 121.816 121.816 120.553 1.263 25919 11235 1 18 . 1 1 52 52 PHE HA H 52 5.503 5.503 4.781 0.722 25919 11236 1 18 . 1 1 52 52 PHE CA C 52 56.104 56.104 56.624 -0.520 25919 11237 1 18 . 1 1 52 52 PHE CB C 52 43.188 43.188 43.305 -0.117 25919 11238 1 18 . 1 1 52 52 PHE H H 52 9.466 9.466 9.147 0.319 25919 11239 1 18 . 1 1 53 53 LEU N N 53 120.846 120.846 124.825 -3.979 25919 11240 1 18 . 1 1 53 53 LEU HA H 53 5.135 5.135 5.218 -0.083 25919 11241 1 18 . 1 1 53 53 LEU C C 53 175.042 175.042 174.647 0.395 25919 11242 1 18 . 1 1 53 53 LEU CA C 53 52.916 52.916 54.345 -1.429 25919 11243 1 18 . 1 1 53 53 LEU CB C 53 45.242 45.242 44.170 1.072 25919 11244 1 18 . 1 1 53 53 LEU H H 53 8.608 8.608 8.748 -0.140 25919 11245 1 18 . 1 1 54 54 VAL N N 54 123.773 123.773 124.797 -1.024 25919 11246 1 18 . 1 1 54 54 VAL HA H 54 4.755 4.755 4.478 0.277 25919 11247 1 18 . 1 1 54 54 VAL CA C 54 58.622 58.622 58.735 -0.113 25919 11248 1 18 . 1 1 54 54 VAL CB C 54 35.150 35.150 32.906 2.244 25919 11249 1 18 . 1 1 54 54 VAL H H 54 8.801 8.801 8.614 0.187 25919 11250 1 18 . 1 1 55 55 PRO HA H 55 4.435 4.435 4.727 -0.292 25919 11251 1 18 . 1 1 55 55 PRO C C 55 176.427 176.427 177.809 -1.382 25919 11252 1 18 . 1 1 55 55 PRO CA C 55 64.298 64.298 62.544 1.754 25919 11253 1 18 . 1 1 55 55 PRO CB C 55 32.822 32.822 32.235 0.587 25919 11254 1 18 . 1 1 56 56 ASP N N 56 121.214 121.214 123.147 -1.933 25919 11255 1 18 . 1 1 56 56 ASP HA H 56 3.880 3.880 4.176 -0.296 25919 11256 1 18 . 1 1 56 56 ASP CA C 56 56.742 56.742 57.274 -0.532 25919 11257 1 18 . 1 1 56 56 ASP CB C 56 40.481 40.481 40.361 0.120 25919 11258 1 18 . 1 1 56 56 ASP H H 56 8.336 8.336 8.553 -0.217 25919 11259 1 18 . 1 1 57 57 HIS N N 57 114.277 114.277 115.350 -1.073 25919 11260 1 18 . 1 1 57 57 HIS HA H 57 4.772 4.772 4.510 0.262 25919 11261 1 18 . 1 1 57 57 HIS C C 57 174.806 174.806 176.174 -1.368 25919 11262 1 18 . 1 1 57 57 HIS CA C 57 55.688 55.688 56.983 -1.295 25919 11263 1 18 . 1 1 57 57 HIS CB C 57 30.450 30.450 29.977 0.473 25919 11264 1 18 . 1 1 57 57 HIS H H 57 7.464 7.464 7.934 -0.470 25919 11265 1 18 . 1 1 58 58 VAL N N 58 123.531 123.531 122.039 1.492 25919 11266 1 18 . 1 1 58 58 VAL HA H 58 3.909 3.909 3.962 -0.053 25919 11267 1 18 . 1 1 58 58 VAL C C 58 177.148 177.148 175.113 2.035 25919 11268 1 18 . 1 1 58 58 VAL CA C 58 62.900 62.900 63.002 -0.102 25919 11269 1 18 . 1 1 58 58 VAL CB C 58 32.320 32.320 32.123 0.197 25919 11270 1 18 . 1 1 58 58 VAL H H 58 7.261 7.261 7.909 -0.648 25919 11271 1 18 . 1 1 59 59 ASN N N 59 124.147 124.147 124.497 -0.350 25919 11272 1 18 . 1 1 59 59 ASN HA H 59 5.174 5.174 4.982 0.192 25919 11273 1 18 . 1 1 59 59 ASN C C 59 175.176 175.176 176.135 -0.959 25919 11274 1 18 . 1 1 59 59 ASN CA C 59 51.374 51.374 52.274 -0.900 25919 11275 1 18 . 1 1 59 59 ASN CB C 59 40.038 40.038 39.827 0.211 25919 11276 1 18 . 1 1 59 59 ASN H H 59 8.819 8.819 8.245 0.575 25919 11277 1 18 . 1 1 60 60 MET N N 60 117.583 117.583 119.824 -2.241 25919 11278 1 18 . 1 1 60 60 MET HA H 60 4.425 4.425 4.174 0.251 25919 11279 1 18 . 1 1 60 60 MET CA C 60 57.271 57.271 58.177 -0.906 25919 11280 1 18 . 1 1 60 60 MET CB C 60 30.063 30.063 32.448 -2.385 25919 11281 1 18 . 1 1 60 60 MET H H 60 8.023 8.023 8.502 -0.479 25919 11282 1 18 . 1 1 61 61 SER N N 61 115.027 115.027 114.818 0.209 25919 11283 1 18 . 1 1 61 61 SER HA H 61 4.138 4.138 4.053 0.085 25919 11284 1 18 . 1 1 61 61 SER C C 61 178.809 178.809 176.520 2.289 25919 11285 1 18 . 1 1 61 61 SER CA C 61 61.553 61.553 61.573 -0.020 25919 11286 1 18 . 1 1 61 61 SER CB C 61 62.581 62.581 62.865 -0.284 25919 11287 1 18 . 1 1 61 61 SER H H 61 8.350 8.350 7.928 0.422 25919 11288 1 18 . 1 1 62 62 GLU N N 62 123.657 123.657 122.542 1.115 25919 11289 1 18 . 1 1 62 62 GLU HA H 62 3.979 3.979 4.051 -0.072 25919 11290 1 18 . 1 1 62 62 GLU C C 62 176.456 176.456 178.449 -1.993 25919 11291 1 18 . 1 1 62 62 GLU CA C 62 58.726 58.726 58.939 -0.213 25919 11292 1 18 . 1 1 62 62 GLU CB C 62 29.700 29.700 29.374 0.326 25919 11293 1 18 . 1 1 62 62 GLU H H 62 7.994 7.994 8.509 -0.515 25919 11294 1 18 . 1 1 63 63 LEU N N 63 121.225 121.225 121.179 0.046 25919 11295 1 18 . 1 1 63 63 LEU HA H 63 3.949 3.949 3.954 -0.005 25919 11296 1 18 . 1 1 63 63 LEU C C 63 178.113 178.113 178.581 -0.468 25919 11297 1 18 . 1 1 63 63 LEU CA C 63 57.860 57.860 58.104 -0.244 25919 11298 1 18 . 1 1 63 63 LEU CB C 63 41.526 41.526 41.730 -0.204 25919 11299 1 18 . 1 1 63 63 LEU H H 63 8.223 8.223 8.166 0.057 25919 11300 1 18 . 1 1 64 64 ILE N N 64 119.273 119.273 119.541 -0.268 25919 11301 1 18 . 1 1 64 64 ILE HA H 64 3.375 3.375 3.524 -0.149 25919 11302 1 18 . 1 1 64 64 ILE CA C 64 66.723 66.723 66.101 0.622 25919 11303 1 18 . 1 1 64 64 ILE CB C 64 38.161 38.161 37.639 0.521 25919 11304 1 18 . 1 1 64 64 ILE H H 64 8.301 8.301 8.218 0.083 25919 11305 1 18 . 1 1 65 65 LYS N N 65 119.143 119.143 120.321 -1.178 25919 11306 1 18 . 1 1 65 65 LYS HA H 65 3.703 3.703 3.971 -0.268 25919 11307 1 18 . 1 1 65 65 LYS C C 65 173.869 173.869 179.025 -5.156 25919 11308 1 18 . 1 1 65 65 LYS CA C 65 60.451 60.451 59.816 0.635 25919 11309 1 18 . 1 1 65 65 LYS CB C 65 32.300 32.300 32.452 -0.152 25919 11310 1 18 . 1 1 65 65 LYS H H 65 7.300 7.300 7.820 -0.520 25919 11311 1 18 . 1 1 66 66 ILE N N 66 120.527 120.527 121.205 -0.678 25919 11312 1 18 . 1 1 66 66 ILE HA H 66 3.541 3.541 3.772 -0.231 25919 11313 1 18 . 1 1 66 66 ILE C C 66 176.459 176.459 177.654 -1.195 25919 11314 1 18 . 1 1 66 66 ILE CA C 66 65.290 65.290 64.068 1.222 25919 11315 1 18 . 1 1 66 66 ILE CB C 66 38.254 38.254 37.834 0.420 25919 11316 1 18 . 1 1 66 66 ILE H H 66 8.048 8.048 7.940 0.108 25919 11317 1 18 . 1 1 67 67 ILE N N 67 121.527 121.527 120.826 0.701 25919 11318 1 18 . 1 1 67 67 ILE HA H 67 3.336 3.336 3.511 -0.175 25919 11319 1 18 . 1 1 67 67 ILE C C 67 178.102 178.102 177.969 0.133 25919 11320 1 18 . 1 1 67 67 ILE CA C 67 63.952 63.952 64.098 -0.146 25919 11321 1 18 . 1 1 67 67 ILE CB C 67 35.891 35.891 36.328 -0.437 25919 11322 1 18 . 1 1 67 67 ILE H H 67 8.308 8.308 8.244 0.064 25919 11323 1 18 . 1 1 68 68 ARG N N 68 119.384 119.384 120.387 -1.003 25919 11324 1 18 . 1 1 68 68 ARG HA H 68 2.970 2.970 3.173 -0.203 25919 11325 1 18 . 1 1 68 68 ARG C C 68 172.723 172.723 178.043 -5.320 25919 11326 1 18 . 1 1 68 68 ARG CA C 68 60.704 60.704 60.003 0.701 25919 11327 1 18 . 1 1 68 68 ARG CB C 68 30.320 30.320 29.925 0.395 25919 11328 1 18 . 1 1 68 68 ARG H H 68 8.336 8.336 8.476 -0.140 25919 11329 1 18 . 1 1 69 69 ARG N N 69 117.648 117.648 118.182 -0.534 25919 11330 1 18 . 1 1 69 69 ARG HA H 69 4.138 4.138 4.073 0.065 25919 11331 1 18 . 1 1 69 69 ARG C C 69 172.480 172.480 179.406 -6.926 25919 11332 1 18 . 1 1 69 69 ARG CA C 69 58.645 58.645 58.133 0.512 25919 11333 1 18 . 1 1 69 69 ARG CB C 69 29.779 29.779 29.587 0.192 25919 11334 1 18 . 1 1 69 69 ARG H H 69 7.432 7.432 7.704 -0.272 25919 11335 1 18 . 1 1 70 70 ARG N N 70 124.006 124.006 120.586 3.420 25919 11336 1 18 . 1 1 70 70 ARG HA H 70 4.074 4.074 4.148 -0.074 25919 11337 1 18 . 1 1 70 70 ARG C C 70 178.799 178.799 178.730 0.069 25919 11338 1 18 . 1 1 70 70 ARG CA C 70 58.385 58.385 58.288 0.097 25919 11339 1 18 . 1 1 70 70 ARG CB C 70 30.043 30.043 29.727 0.315 25919 11340 1 18 . 1 1 70 70 ARG H H 70 8.212 8.212 8.230 -0.018 25919 11341 1 18 . 1 1 71 71 LEU N N 71 117.764 117.764 116.859 0.905 25919 11342 1 18 . 1 1 71 71 LEU HA H 71 4.085 4.085 4.120 -0.035 25919 11343 1 18 . 1 1 71 71 LEU CA C 71 55.063 55.063 54.773 0.290 25919 11344 1 18 . 1 1 71 71 LEU CB C 71 43.100 43.100 41.565 1.535 25919 11345 1 18 . 1 1 71 71 LEU H H 71 7.750 7.750 8.004 -0.254 25919 11346 1 18 . 1 1 72 72 GLN N N 72 115.522 115.522 112.883 2.639 25919 11347 1 18 . 1 1 72 72 GLN HA H 72 3.839 3.839 3.933 -0.094 25919 11348 1 18 . 1 1 72 72 GLN C C 72 175.744 175.744 175.364 0.380 25919 11349 1 18 . 1 1 72 72 GLN CA C 72 56.409 56.409 56.425 -0.016 25919 11350 1 18 . 1 1 72 72 GLN CB C 72 25.959 25.959 25.880 0.079 25919 11351 1 18 . 1 1 72 72 GLN H H 72 7.751 7.751 7.477 0.274 25919 11352 1 18 . 1 1 73 73 LEU N N 73 115.900 115.900 120.382 -4.482 25919 11353 1 18 . 1 1 73 73 LEU HA H 73 4.254 4.254 4.367 -0.113 25919 11354 1 18 . 1 1 73 73 LEU C C 73 178.568 178.568 176.391 2.177 25919 11355 1 18 . 1 1 73 73 LEU CA C 73 54.468 54.468 53.981 0.487 25919 11356 1 18 . 1 1 73 73 LEU CB C 73 42.050 42.050 40.755 1.295 25919 11357 1 18 . 1 1 73 73 LEU H H 73 7.573 7.573 7.706 -0.133 25919 11358 1 18 . 1 1 74 74 ASN N N 74 122.154 122.154 124.627 -2.473 25919 11359 1 18 . 1 1 74 74 ASN HA H 74 4.684 4.684 4.574 0.110 25919 11360 1 18 . 1 1 74 74 ASN C C 74 174.122 174.122 176.603 -2.481 25919 11361 1 18 . 1 1 74 74 ASN CA C 74 52.724 52.724 53.325 -0.601 25919 11362 1 18 . 1 1 74 74 ASN CB C 74 39.579 39.579 39.275 0.304 25919 11363 1 18 . 1 1 74 74 ASN H H 74 8.949 8.949 8.140 0.808 25919 11364 1 18 . 1 1 75 75 ALA N N 75 124.274 124.274 123.475 0.799 25919 11365 1 18 . 1 1 75 75 ALA HA H 75 3.972 3.972 4.089 -0.117 25919 11366 1 18 . 1 1 75 75 ALA C C 75 178.113 178.113 178.361 -0.248 25919 11367 1 18 . 1 1 75 75 ALA CA C 75 54.900 54.900 54.665 0.235 25919 11368 1 18 . 1 1 75 75 ALA CB C 75 18.708 18.708 18.736 -0.028 25919 11369 1 18 . 1 1 75 75 ALA H H 75 8.690 8.690 8.656 0.034 25919 11370 1 18 . 1 1 76 76 ASN N N 76 112.911 112.911 114.509 -1.598 25919 11371 1 18 . 1 1 76 76 ASN HA H 76 4.589 4.589 4.661 -0.072 25919 11372 1 18 . 1 1 76 76 ASN C C 76 175.515 175.515 175.689 -0.174 25919 11373 1 18 . 1 1 76 76 ASN CA C 76 53.276 53.276 53.671 -0.395 25919 11374 1 18 . 1 1 76 76 ASN CB C 76 38.343 38.343 38.104 0.239 25919 11375 1 18 . 1 1 76 76 ASN H H 76 8.340 8.340 8.181 0.159 25919 11376 1 18 . 1 1 77 77 GLN N N 77 121.144 121.144 119.704 1.440 25919 11377 1 18 . 1 1 77 77 GLN HA H 77 4.287 4.287 4.472 -0.185 25919 11378 1 18 . 1 1 77 77 GLN C C 77 175.053 175.053 175.278 -0.225 25919 11379 1 18 . 1 1 77 77 GLN CA C 77 55.856 55.856 55.042 0.814 25919 11380 1 18 . 1 1 77 77 GLN CB C 77 30.320 30.320 29.151 1.169 25919 11381 1 18 . 1 1 77 77 GLN H H 77 7.546 7.546 7.818 -0.272 25919 11382 1 18 . 1 1 78 78 ALA N N 78 131.146 131.146 127.476 3.670 25919 11383 1 18 . 1 1 78 78 ALA HA H 78 4.179 4.179 4.399 -0.220 25919 11384 1 18 . 1 1 78 78 ALA C C 78 176.453 176.453 176.138 0.315 25919 11385 1 18 . 1 1 78 78 ALA CA C 78 52.852 52.852 52.470 0.382 25919 11386 1 18 . 1 1 78 78 ALA CB C 78 20.074 20.074 19.529 0.545 25919 11387 1 18 . 1 1 78 78 ALA H H 78 8.730 8.730 8.691 0.039 25919 11388 1 18 . 1 1 79 79 PHE N N 79 119.860 119.860 124.950 -5.090 25919 11389 1 18 . 1 1 79 79 PHE HA H 79 4.453 4.453 5.116 -0.663 25919 11390 1 18 . 1 1 79 79 PHE C C 79 171.834 171.834 173.365 -1.531 25919 11391 1 18 . 1 1 79 79 PHE CA C 79 59.115 59.115 57.429 1.686 25919 11392 1 18 . 1 1 79 79 PHE CB C 79 42.246 42.246 42.730 -0.485 25919 11393 1 18 . 1 1 79 79 PHE H H 79 7.601 7.601 8.338 -0.737 25919 11394 1 18 . 1 1 80 80 PHE N N 80 126.800 126.800 126.024 0.776 25919 11395 1 18 . 1 1 80 80 PHE HA H 80 4.396 4.396 4.373 0.023 25919 11396 1 18 . 1 1 80 80 PHE C C 80 173.169 173.169 173.198 -0.029 25919 11397 1 18 . 1 1 80 80 PHE CA C 80 56.859 56.859 56.579 0.280 25919 11398 1 18 . 1 1 80 80 PHE CB C 80 41.946 41.946 42.412 -0.466 25919 11399 1 18 . 1 1 80 80 PHE H H 80 8.504 8.504 9.165 -0.661 25919 11400 1 18 . 1 1 81 81 LEU N N 81 122.590 122.590 126.276 -3.686 25919 11401 1 18 . 1 1 81 81 LEU HA H 81 4.902 4.902 4.790 0.112 25919 11402 1 18 . 1 1 81 81 LEU CA C 81 53.108 53.108 53.976 -0.868 25919 11403 1 18 . 1 1 81 81 LEU CB C 81 45.781 45.781 42.871 2.910 25919 11404 1 18 . 1 1 81 81 LEU H H 81 8.159 8.159 7.981 0.178 25919 11405 1 18 . 1 1 82 82 LEU N N 82 126.414 126.414 127.156 -0.742 25919 11406 1 18 . 1 1 82 82 LEU HA H 82 4.807 4.807 4.871 -0.064 25919 11407 1 18 . 1 1 82 82 LEU C C 82 174.204 174.204 175.126 -0.922 25919 11408 1 18 . 1 1 82 82 LEU CA C 82 54.200 54.200 53.248 0.952 25919 11409 1 18 . 1 1 82 82 LEU CB C 82 43.650 43.650 44.522 -0.872 25919 11410 1 18 . 1 1 82 82 LEU H H 82 9.347 9.347 9.065 0.282 25919 11411 1 18 . 1 1 83 83 VAL N N 83 123.910 123.910 124.027 -0.117 25919 11412 1 18 . 1 1 83 83 VAL HA H 83 4.466 4.466 4.314 0.152 25919 11413 1 18 . 1 1 83 83 VAL C C 83 175.891 175.891 176.202 -0.311 25919 11414 1 18 . 1 1 83 83 VAL CA C 83 61.339 61.339 61.301 0.038 25919 11415 1 18 . 1 1 83 83 VAL CB C 83 34.013 34.013 32.709 1.304 25919 11416 1 18 . 1 1 83 83 VAL H H 83 8.676 8.676 8.646 0.030 25919 11417 1 18 . 1 1 84 84 ASN N N 84 127.149 127.149 128.405 -1.256 25919 11418 1 18 . 1 1 84 84 ASN HA H 84 4.384 4.384 4.329 0.055 25919 11419 1 18 . 1 1 84 84 ASN CA C 84 54.494 54.494 54.049 0.445 25919 11420 1 18 . 1 1 84 84 ASN CB C 84 37.933 37.933 37.634 0.299 25919 11421 1 18 . 1 1 84 84 ASN H H 84 9.630 9.630 9.162 0.468 25919 11422 1 18 . 1 1 85 85 GLY N N 85 101.905 101.905 103.813 -1.908 25919 11423 1 18 . 1 1 85 85 GLY C C 85 175.112 175.112 173.511 1.601 25919 11424 1 18 . 1 1 85 85 GLY CA C 85 45.624 45.624 45.560 0.063 25919 11425 1 18 . 1 1 85 85 GLY H H 85 8.670 8.670 8.143 0.527 25919 11426 1 18 . 1 1 86 86 HIS N N 86 117.905 117.905 120.363 -2.458 25919 11427 1 18 . 1 1 86 86 HIS HA H 86 5.039 5.039 4.896 0.143 25919 11428 1 18 . 1 1 86 86 HIS CA C 86 53.890 53.890 54.918 -1.028 25919 11429 1 18 . 1 1 86 86 HIS CB C 86 30.888 30.888 32.581 -1.694 25919 11430 1 18 . 1 1 86 86 HIS H H 86 7.927 7.927 8.042 -0.115 25919 11431 1 18 . 1 1 87 87 SER N N 87 118.646 118.646 119.615 -0.969 25919 11432 1 18 . 1 1 87 87 SER HA H 87 4.397 4.397 4.192 0.205 25919 11433 1 18 . 1 1 87 87 SER C C 87 175.275 175.275 174.473 0.802 25919 11434 1 18 . 1 1 87 87 SER CA C 87 58.414 58.414 58.350 0.064 25919 11435 1 18 . 1 1 87 87 SER CB C 87 63.772 63.772 63.507 0.265 25919 11436 1 18 . 1 1 87 87 SER H H 87 8.927 8.927 8.591 0.336 25919 11437 1 18 . 1 1 88 88 MET N N 88 126.013 126.013 124.059 1.954 25919 11438 1 18 . 1 1 88 88 MET HA H 88 4.851 4.851 4.799 0.052 25919 11439 1 18 . 1 1 88 88 MET C C 88 178.796 178.796 175.909 2.887 25919 11440 1 18 . 1 1 88 88 MET CA C 88 54.727 54.727 54.712 0.015 25919 11441 1 18 . 1 1 88 88 MET CB C 88 33.309 33.309 32.331 0.978 25919 11442 1 18 . 1 1 88 88 MET H H 88 9.088 9.088 8.862 0.226 25919 11443 1 18 . 1 1 89 89 VAL N N 89 121.153 121.153 119.259 1.894 25919 11444 1 18 . 1 1 89 89 VAL HA H 89 4.057 4.057 3.760 0.297 25919 11445 1 18 . 1 1 89 89 VAL C C 89 176.695 176.695 176.042 0.653 25919 11446 1 18 . 1 1 89 89 VAL CA C 89 63.592 63.592 65.182 -1.590 25919 11447 1 18 . 1 1 89 89 VAL CB C 89 32.422 32.422 31.375 1.047 25919 11448 1 18 . 1 1 89 89 VAL H H 89 8.144 8.144 7.321 0.823 25919 11449 1 18 . 1 1 90 90 SER N N 90 116.778 116.778 112.187 4.591 25919 11450 1 18 . 1 1 90 90 SER HA H 90 4.561 4.561 4.369 0.192 25919 11451 1 18 . 1 1 90 90 SER C C 90 173.898 173.898 174.752 -0.854 25919 11452 1 18 . 1 1 90 90 SER CA C 90 57.895 57.895 58.231 -0.336 25919 11453 1 18 . 1 1 90 90 SER CB C 90 63.133 63.133 63.218 -0.085 25919 11454 1 18 . 1 1 90 90 SER H H 90 8.322 8.322 7.776 0.546 25919 11455 1 18 . 1 1 91 91 VAL N N 91 120.735 120.735 123.941 -3.206 25919 11456 1 18 . 1 1 91 91 VAL HA H 91 4.286 4.286 4.057 0.229 25919 11457 1 18 . 1 1 91 91 VAL CA C 91 62.846 62.846 62.529 0.317 25919 11458 1 18 . 1 1 91 91 VAL CB C 91 32.069 32.069 31.795 0.274 25919 11459 1 18 . 1 1 91 91 VAL H H 91 8.036 8.036 7.529 0.507 25919 11460 1 18 . 1 1 92 92 SER N N 92 118.146 118.146 122.043 -3.897 25919 11461 1 18 . 1 1 92 92 SER HA H 92 4.549 4.549 4.573 -0.024 25919 11462 1 18 . 1 1 92 92 SER CA C 92 57.813 57.813 57.882 -0.069 25919 11463 1 18 . 1 1 92 92 SER CB C 92 63.488 63.488 63.747 -0.259 25919 11464 1 18 . 1 1 92 92 SER H H 92 8.470 8.470 8.859 -0.389 25919 11465 1 18 . 1 1 93 93 THR N N 93 119.747 119.747 119.715 0.032 25919 11466 1 18 . 1 1 93 93 THR HA H 93 4.467 4.467 4.526 -0.059 25919 11467 1 18 . 1 1 93 93 THR CA C 93 61.005 61.005 60.305 0.700 25919 11468 1 18 . 1 1 93 93 THR CB C 93 70.592 70.592 69.504 1.088 25919 11469 1 18 . 1 1 93 93 THR H H 93 7.382 7.382 7.501 -0.119 25919 11470 1 18 . 1 1 94 94 PRO HA H 94 4.424 4.424 4.423 0.001 25919 11471 1 18 . 1 1 94 94 PRO CA C 94 63.060 63.060 63.441 -0.381 25919 11472 1 18 . 1 1 94 94 PRO CB C 94 32.798 32.798 32.332 0.466 25919 11473 1 18 . 1 1 95 95 ILE N N 95 124.894 124.894 123.827 1.067 25919 11474 1 18 . 1 1 95 95 ILE HA H 95 3.984 3.984 3.849 0.135 25919 11475 1 18 . 1 1 95 95 ILE CA C 95 63.963 63.963 62.355 1.608 25919 11476 1 18 . 1 1 95 95 ILE CB C 95 38.200 38.200 38.228 -0.028 25919 11477 1 18 . 1 1 95 95 ILE H H 95 9.358 9.358 8.707 0.651 25919 11478 1 18 . 1 1 96 96 SER N N 96 117.523 117.523 116.110 1.413 25919 11479 1 18 . 1 1 96 96 SER HA H 96 4.004 4.004 4.113 -0.109 25919 11480 1 18 . 1 1 96 96 SER CA C 96 61.700 61.700 61.831 -0.131 25919 11481 1 18 . 1 1 96 96 SER CB C 96 61.400 61.400 62.637 -1.237 25919 11482 1 18 . 1 1 96 96 SER H H 96 8.202 8.202 7.823 0.379 25919 11483 1 18 . 1 1 97 97 GLU N N 97 123.657 123.657 122.129 1.528 25919 11484 1 18 . 1 1 97 97 GLU HA H 97 4.282 4.282 4.209 0.073 25919 11485 1 18 . 1 1 97 97 GLU CA C 97 58.700 58.700 58.852 -0.152 25919 11486 1 18 . 1 1 97 97 GLU CB C 97 29.800 29.800 29.350 0.450 25919 11487 1 18 . 1 1 97 97 GLU H H 97 7.301 7.301 7.819 -0.518 25919 11488 1 18 . 1 1 98 98 VAL N N 98 121.907 121.907 120.091 1.816 25919 11489 1 18 . 1 1 98 98 VAL HA H 98 3.797 3.797 3.697 0.100 25919 11490 1 18 . 1 1 98 98 VAL CA C 98 65.949 65.949 66.479 -0.530 25919 11491 1 18 . 1 1 98 98 VAL CB C 98 32.186 32.186 31.144 1.042 25919 11492 1 18 . 1 1 98 98 VAL H H 98 7.410 7.410 7.665 -0.255 25919 11493 1 18 . 1 1 99 99 TYR N N 99 119.526 119.526 121.503 -1.977 25919 11494 1 18 . 1 1 99 99 TYR HA H 99 4.016 4.016 3.988 0.028 25919 11495 1 18 . 1 1 99 99 TYR C C 99 175.741 175.741 177.447 -1.706 25919 11496 1 18 . 1 1 99 99 TYR CA C 99 62.229 62.229 62.034 0.195 25919 11497 1 18 . 1 1 99 99 TYR CB C 99 38.967 38.967 38.457 0.510 25919 11498 1 18 . 1 1 99 99 TYR H H 99 9.071 9.071 8.471 0.600 25919 11499 1 18 . 1 1 100 100 GLU N N 100 114.405 114.405 117.008 -2.603 25919 11500 1 18 . 1 1 100 100 GLU HA H 100 3.850 3.850 3.757 0.093 25919 11501 1 18 . 1 1 100 100 GLU C C 100 178.094 178.094 177.828 0.266 25919 11502 1 18 . 1 1 100 100 GLU CA C 100 58.920 58.920 58.666 0.254 25919 11503 1 18 . 1 1 100 100 GLU CB C 100 29.481 29.481 29.104 0.377 25919 11504 1 18 . 1 1 100 100 GLU H H 100 7.342 7.342 8.288 -0.946 25919 11505 1 18 . 1 1 101 101 SER N N 101 109.656 109.656 112.468 -2.812 25919 11506 1 18 . 1 1 101 101 SER HA H 101 4.529 4.529 4.382 0.147 25919 11507 1 18 . 1 1 101 101 SER C C 101 176.681 176.681 175.868 0.813 25919 11508 1 18 . 1 1 101 101 SER CA C 101 60.313 60.313 59.972 0.341 25919 11509 1 18 . 1 1 101 101 SER CB C 101 64.703 64.703 64.233 0.470 25919 11510 1 18 . 1 1 101 101 SER H H 101 7.410 7.410 7.594 -0.184 25919 11511 1 18 . 1 1 102 102 GLU N N 102 117.283 117.283 118.786 -1.503 25919 11512 1 18 . 1 1 102 102 GLU HA H 102 4.721 4.721 4.717 0.004 25919 11513 1 18 . 1 1 102 102 GLU CA C 102 55.592 55.592 55.320 0.272 25919 11514 1 18 . 1 1 102 102 GLU CB C 102 30.564 30.564 30.564 -0.000 25919 11515 1 18 . 1 1 102 102 GLU H H 102 8.500 8.500 8.202 0.298 25919 11516 1 18 . 1 1 103 103 LYS N N 103 118.772 118.772 120.143 -1.371 25919 11517 1 18 . 1 1 103 103 LYS HA H 103 4.179 4.179 4.446 -0.267 25919 11518 1 18 . 1 1 103 103 LYS C C 103 175.032 175.032 176.521 -1.489 25919 11519 1 18 . 1 1 103 103 LYS CA C 103 57.154 57.154 56.315 0.839 25919 11520 1 18 . 1 1 103 103 LYS CB C 103 32.238 32.238 32.281 -0.043 25919 11521 1 18 . 1 1 103 103 LYS H H 103 7.777 7.777 7.550 0.227 25919 11522 1 18 . 1 1 104 104 ASP N N 104 124.024 124.024 125.628 -1.604 25919 11523 1 18 . 1 1 104 104 ASP HA H 104 5.032 5.032 4.675 0.357 25919 11524 1 18 . 1 1 104 104 ASP C C 104 177.548 177.548 177.929 -0.381 25919 11525 1 18 . 1 1 104 104 ASP CA C 104 53.882 53.882 52.593 1.289 25919 11526 1 18 . 1 1 104 104 ASP CB C 104 43.420 43.420 42.910 0.510 25919 11527 1 18 . 1 1 104 104 ASP H H 104 9.030 9.030 8.826 0.204 25919 11528 1 18 . 1 1 105 105 GLU N N 105 125.669 125.669 120.466 5.203 25919 11529 1 18 . 1 1 105 105 GLU HA H 105 4.179 4.179 4.120 0.059 25919 11530 1 18 . 1 1 105 105 GLU CA C 105 59.526 59.526 59.199 0.327 25919 11531 1 18 . 1 1 105 105 GLU CB C 105 30.036 30.036 29.759 0.277 25919 11532 1 18 . 1 1 105 105 GLU H H 105 8.894 8.894 8.921 -0.027 25919 11533 1 18 . 1 1 106 106 ASP N N 106 119.257 119.257 115.368 3.889 25919 11534 1 18 . 1 1 106 106 ASP HA H 106 4.180 4.180 4.431 -0.251 25919 11535 1 18 . 1 1 106 106 ASP C C 106 176.018 176.018 176.965 -0.947 25919 11536 1 18 . 1 1 106 106 ASP CA C 106 54.750 54.750 53.952 0.798 25919 11537 1 18 . 1 1 106 106 ASP CB C 106 40.250 40.250 39.733 0.517 25919 11538 1 18 . 1 1 106 106 ASP H H 106 9.838 9.838 8.223 1.615 25919 11539 1 18 . 1 1 107 107 GLY N N 107 106.307 106.307 107.184 -0.877 25919 11540 1 18 . 1 1 107 107 GLY CA C 107 45.125 45.125 45.158 -0.033 25919 11541 1 18 . 1 1 107 107 GLY H H 107 7.945 7.945 7.984 -0.039 25919 11542 1 18 . 1 1 108 108 PHE N N 108 124.389 124.389 120.785 3.604 25919 11543 1 18 . 1 1 108 108 PHE HA H 108 4.670 4.670 4.411 0.259 25919 11544 1 18 . 1 1 108 108 PHE C C 108 179.501 179.501 175.666 3.835 25919 11545 1 18 . 1 1 108 108 PHE CA C 108 60.288 60.288 59.540 0.748 25919 11546 1 18 . 1 1 108 108 PHE CB C 108 40.506 40.506 40.047 0.459 25919 11547 1 18 . 1 1 108 108 PHE H H 108 9.739 9.739 8.574 1.165 25919 11548 1 18 . 1 1 109 109 LEU N N 109 120.814 120.814 126.321 -5.507 25919 11549 1 18 . 1 1 109 109 LEU HA H 109 5.038 5.038 4.536 0.502 25919 11550 1 18 . 1 1 109 109 LEU CA C 109 53.479 53.479 54.469 -0.990 25919 11551 1 18 . 1 1 109 109 LEU CB C 109 45.197 45.197 42.458 2.739 25919 11552 1 18 . 1 1 109 109 LEU H H 109 7.968 7.968 9.023 -1.055 25919 11553 1 18 . 1 1 110 110 TYR N N 110 127.403 127.403 129.982 -2.579 25919 11554 1 18 . 1 1 110 110 TYR HA H 110 4.907 4.907 4.781 0.126 25919 11555 1 18 . 1 1 110 110 TYR CA C 110 59.259 59.259 56.748 2.511 25919 11556 1 18 . 1 1 110 110 TYR CB C 110 39.469 39.469 39.945 -0.476 25919 11557 1 18 . 1 1 110 110 TYR H H 110 9.349 9.349 8.247 1.102 25919 11558 1 18 . 1 1 111 111 MET N N 111 120.344 120.344 126.405 -6.061 25919 11559 1 18 . 1 1 111 111 MET HA H 111 5.543 5.543 5.255 0.288 25919 11560 1 18 . 1 1 111 111 MET CA C 111 54.341 54.341 53.131 1.210 25919 11561 1 18 . 1 1 111 111 MET CB C 111 36.894 36.894 37.103 -0.209 25919 11562 1 18 . 1 1 111 111 MET H H 111 9.575 9.575 8.782 0.793 25919 11563 1 18 . 1 1 112 112 VAL N N 112 121.026 121.026 115.981 5.045 25919 11564 1 18 . 1 1 112 112 VAL HA H 112 5.938 5.938 5.149 0.789 25919 11565 1 18 . 1 1 112 112 VAL C C 112 176.696 176.696 173.514 3.182 25919 11566 1 18 . 1 1 112 112 VAL CA C 112 59.068 59.068 59.652 -0.584 25919 11567 1 18 . 1 1 112 112 VAL CB C 112 36.180 36.180 35.657 0.523 25919 11568 1 18 . 1 1 112 112 VAL H H 112 8.730 8.730 8.911 -0.181 25919 11569 1 18 . 1 1 113 113 TYR N N 113 119.995 119.995 125.965 -5.970 25919 11570 1 18 . 1 1 113 113 TYR HA H 113 6.143 6.143 5.515 0.628 25919 11571 1 18 . 1 1 113 113 TYR C C 113 173.533 173.533 173.534 -0.001 25919 11572 1 18 . 1 1 113 113 TYR CA C 113 54.165 54.165 55.003 -0.838 25919 11573 1 18 . 1 1 113 113 TYR CB C 113 43.667 43.667 40.661 3.006 25919 11574 1 18 . 1 1 113 113 TYR H H 113 8.172 8.172 9.189 -1.017 25919 11575 1 18 . 1 1 114 114 ALA N N 114 120.454 120.454 130.306 -9.852 25919 11576 1 18 . 1 1 114 114 ALA HA H 114 4.750 4.750 5.297 -0.547 25919 11577 1 18 . 1 1 114 114 ALA C C 114 176.007 176.007 176.337 -0.330 25919 11578 1 18 . 1 1 114 114 ALA CA C 114 51.356 51.356 50.247 1.109 25919 11579 1 18 . 1 1 114 114 ALA CB C 114 24.623 24.623 22.383 2.240 25919 11580 1 18 . 1 1 114 114 ALA H H 114 8.499 8.499 9.191 -0.692 25919 11581 1 18 . 1 1 115 115 SER N N 115 115.279 115.279 114.109 1.170 25919 11582 1 18 . 1 1 115 115 SER HA H 115 4.505 4.505 4.839 -0.334 25919 11583 1 18 . 1 1 115 115 SER C C 115 172.860 172.860 174.793 -1.933 25919 11584 1 18 . 1 1 115 115 SER CA C 115 58.837 58.837 59.101 -0.264 25919 11585 1 18 . 1 1 115 115 SER CB C 115 63.798 63.798 63.970 -0.172 25919 11586 1 18 . 1 1 115 115 SER H H 115 9.823 9.823 9.265 0.558 25919 11587 1 18 . 1 1 116 116 GLN N N 116 117.398 117.398 118.717 -1.319 25919 11588 1 18 . 1 1 116 116 GLN HA H 116 4.453 4.453 3.791 0.662 25919 11589 1 18 . 1 1 116 116 GLN C C 116 173.181 173.181 173.362 -0.181 25919 11590 1 18 . 1 1 116 116 GLN CA C 116 54.024 54.024 54.130 -0.106 25919 11591 1 18 . 1 1 116 116 GLN CB C 116 32.179 32.179 30.085 2.094 25919 11592 1 18 . 1 1 116 116 GLN H H 116 7.165 7.165 7.197 -0.032 25919 11593 1 18 . 1 1 117 117 GLU N N 117 118.885 118.885 120.580 -1.695 25919 11594 1 18 . 1 1 117 117 GLU HA H 117 3.224 3.224 3.830 -0.606 25919 11595 1 18 . 1 1 117 117 GLU C C 117 175.451 175.451 176.448 -0.997 25919 11596 1 18 . 1 1 117 117 GLU CA C 117 56.917 56.917 57.623 -0.706 25919 11597 1 18 . 1 1 117 117 GLU CB C 117 30.206 30.206 29.872 0.334 25919 11598 1 18 . 1 1 117 117 GLU H H 117 7.873 7.873 7.704 0.169 25919 11599 1 18 . 1 1 118 118 THR N N 118 110.883 110.883 109.242 1.641 25919 11600 1 18 . 1 1 118 118 THR HA H 118 4.074 4.074 4.188 -0.114 25919 11601 1 18 . 1 1 118 118 THR C C 118 173.234 173.234 173.178 0.056 25919 11602 1 18 . 1 1 118 118 THR CA C 118 60.300 60.300 60.506 -0.206 25919 11603 1 18 . 1 1 118 118 THR CB C 118 70.118 70.118 69.673 0.445 25919 11604 1 18 . 1 1 118 118 THR H H 118 6.988 6.988 7.074 -0.086 25919 11605 1 18 . 1 1 119 119 PHE N N 119 122.773 122.773 121.695 1.078 25919 11606 1 18 . 1 1 119 119 PHE HA H 119 4.397 4.397 4.489 -0.092 25919 11607 1 18 . 1 1 119 119 PHE C C 119 175.045 175.045 176.426 -1.381 25919 11608 1 18 . 1 1 119 119 PHE CA C 119 56.810 56.810 58.239 -1.429 25919 11609 1 18 . 1 1 119 119 PHE CB C 119 39.349 39.349 39.440 -0.091 25919 11610 1 18 . 1 1 119 119 PHE H H 119 8.122 8.122 8.598 -0.476 25919 11611 1 19 . 1 1 2 2 PRO HA H 2 4.424 4.424 4.850 -0.426 25919 11612 1 19 . 1 1 2 2 PRO C C 2 176.917 176.917 177.938 -1.021 25919 11613 1 19 . 1 1 2 2 PRO CA C 2 63.418 63.418 64.155 -0.737 25919 11614 1 19 . 1 1 2 2 PRO CB C 2 32.160 32.160 32.252 -0.092 25919 11615 1 19 . 1 1 3 3 SER N N 3 116.273 116.273 113.493 2.780 25919 11616 1 19 . 1 1 3 3 SER HA H 3 4.389 4.389 4.276 0.113 25919 11617 1 19 . 1 1 3 3 SER C C 3 174.762 174.762 174.811 -0.049 25919 11618 1 19 . 1 1 3 3 SER CA C 3 58.472 58.472 59.991 -1.519 25919 11619 1 19 . 1 1 3 3 SER CB C 3 63.913 63.913 63.396 0.517 25919 11620 1 19 . 1 1 3 3 SER H H 3 8.366 8.366 8.151 0.215 25919 11621 1 19 . 1 1 4 4 GLU N N 4 123.959 123.959 119.701 4.258 25919 11622 1 19 . 1 1 4 4 GLU HA H 4 4.289 4.289 4.587 -0.298 25919 11623 1 19 . 1 1 4 4 GLU C C 4 176.545 176.545 175.038 1.507 25919 11624 1 19 . 1 1 4 4 GLU CA C 4 56.785 56.785 55.542 1.242 25919 11625 1 19 . 1 1 4 4 GLU CB C 4 30.200 30.200 31.429 -1.229 25919 11626 1 19 . 1 1 4 4 GLU H H 4 8.513 8.513 7.846 0.667 25919 11627 1 19 . 1 1 5 5 LYS N N 5 122.165 122.165 119.852 2.313 25919 11628 1 19 . 1 1 5 5 LYS HA H 5 4.508 4.508 4.091 0.417 25919 11629 1 19 . 1 1 5 5 LYS C C 5 177.178 177.178 175.270 1.908 25919 11630 1 19 . 1 1 5 5 LYS CA C 5 56.000 56.000 56.728 -0.728 25919 11631 1 19 . 1 1 5 5 LYS CB C 5 34.758 34.758 32.543 2.215 25919 11632 1 19 . 1 1 5 5 LYS H H 5 8.198 8.198 8.496 -0.298 25919 11633 1 19 . 1 1 6 6 THR N N 6 115.586 115.586 111.275 4.311 25919 11634 1 19 . 1 1 6 6 THR HA H 6 4.426 4.426 4.423 0.003 25919 11635 1 19 . 1 1 6 6 THR C C 6 175.570 175.570 174.808 0.762 25919 11636 1 19 . 1 1 6 6 THR CA C 6 61.120 61.120 62.419 -1.298 25919 11637 1 19 . 1 1 6 6 THR CB C 6 69.871 69.871 70.053 -0.182 25919 11638 1 19 . 1 1 6 6 THR H H 6 8.423 8.423 8.032 0.391 25919 11639 1 19 . 1 1 7 7 PHE N N 7 126.100 126.100 123.628 2.472 25919 11640 1 19 . 1 1 7 7 PHE HA H 7 3.935 3.935 4.228 -0.293 25919 11641 1 19 . 1 1 7 7 PHE CA C 7 63.687 63.687 60.749 2.938 25919 11642 1 19 . 1 1 7 7 PHE CB C 7 39.656 39.656 39.672 -0.016 25919 11643 1 19 . 1 1 7 7 PHE H H 7 10.276 10.276 9.517 0.759 25919 11644 1 19 . 1 1 8 8 LYS N N 8 115.026 115.026 121.226 -6.200 25919 11645 1 19 . 1 1 8 8 LYS HA H 8 3.800 3.800 3.847 -0.047 25919 11646 1 19 . 1 1 8 8 LYS CA C 8 59.944 59.944 58.172 1.772 25919 11647 1 19 . 1 1 8 8 LYS CB C 8 33.852 33.852 31.792 2.060 25919 11648 1 19 . 1 1 8 8 LYS H H 8 8.707 8.707 8.155 0.552 25919 11649 1 19 . 1 1 9 9 GLN N N 9 113.774 113.774 117.001 -3.227 25919 11650 1 19 . 1 1 9 9 GLN HA H 9 4.178 4.178 4.086 0.092 25919 11651 1 19 . 1 1 9 9 GLN C C 9 173.193 173.193 177.568 -4.375 25919 11652 1 19 . 1 1 9 9 GLN CA C 9 56.741 56.741 58.045 -1.304 25919 11653 1 19 . 1 1 9 9 GLN CB C 9 30.065 30.065 28.924 1.141 25919 11654 1 19 . 1 1 9 9 GLN H H 9 7.343 7.343 7.829 -0.486 25919 11655 1 19 . 1 1 10 10 ARG N N 10 119.156 119.156 118.875 0.281 25919 11656 1 19 . 1 1 10 10 ARG HA H 10 4.248 4.248 4.219 0.029 25919 11657 1 19 . 1 1 10 10 ARG CA C 10 57.555 57.555 57.015 0.540 25919 11658 1 19 . 1 1 10 10 ARG CB C 10 31.771 31.771 31.720 0.051 25919 11659 1 19 . 1 1 10 10 ARG H H 10 7.912 7.912 7.488 0.424 25919 11660 1 19 . 1 1 11 11 ARG N N 11 120.777 120.777 119.743 1.034 25919 11661 1 19 . 1 1 11 11 ARG HA H 11 4.685 4.685 4.566 0.118 25919 11662 1 19 . 1 1 11 11 ARG CA C 11 53.161 53.161 53.787 -0.626 25919 11663 1 19 . 1 1 11 11 ARG CB C 11 32.773 32.773 31.267 1.506 25919 11664 1 19 . 1 1 11 11 ARG H H 11 7.341 7.341 7.861 -0.520 25919 11665 1 19 . 1 1 12 12 THR N N 12 116.696 116.696 115.837 0.859 25919 11666 1 19 . 1 1 12 12 THR HA H 12 4.358 4.358 4.402 -0.044 25919 11667 1 19 . 1 1 12 12 THR C C 12 175.056 175.056 175.816 -0.760 25919 11668 1 19 . 1 1 12 12 THR CA C 12 61.795 61.795 60.431 1.364 25919 11669 1 19 . 1 1 12 12 THR CB C 12 71.050 71.050 70.158 0.892 25919 11670 1 19 . 1 1 12 12 THR H H 12 8.855 8.855 8.322 0.533 25919 11671 1 19 . 1 1 13 13 PHE N N 13 123.894 123.894 122.438 1.456 25919 11672 1 19 . 1 1 13 13 PHE HA H 13 4.043 4.043 4.084 -0.041 25919 11673 1 19 . 1 1 13 13 PHE C C 13 176.234 176.234 176.470 -0.236 25919 11674 1 19 . 1 1 13 13 PHE CA C 13 62.947 62.947 62.716 0.231 25919 11675 1 19 . 1 1 13 13 PHE CB C 13 39.571 39.571 39.408 0.163 25919 11676 1 19 . 1 1 13 13 PHE H H 13 9.221 9.221 8.731 0.490 25919 11677 1 19 . 1 1 14 14 GLU N N 14 116.516 116.516 116.702 -0.186 25919 11678 1 19 . 1 1 14 14 GLU HA H 14 3.812 3.812 3.661 0.151 25919 11679 1 19 . 1 1 14 14 GLU CA C 14 60.699 60.699 59.320 1.379 25919 11680 1 19 . 1 1 14 14 GLU CB C 14 28.943 28.943 28.905 0.038 25919 11681 1 19 . 1 1 14 14 GLU H H 14 9.002 9.002 8.833 0.169 25919 11682 1 19 . 1 1 15 15 GLN N N 15 119.291 119.291 117.861 1.430 25919 11683 1 19 . 1 1 15 15 GLN HA H 15 4.024 4.024 4.101 -0.077 25919 11684 1 19 . 1 1 15 15 GLN C C 15 175.263 175.263 178.294 -3.031 25919 11685 1 19 . 1 1 15 15 GLN CA C 15 58.800 58.800 57.914 0.886 25919 11686 1 19 . 1 1 15 15 GLN CB C 15 29.300 29.300 28.113 1.187 25919 11687 1 19 . 1 1 15 15 GLN H H 15 7.706 7.706 7.698 0.008 25919 11688 1 19 . 1 1 16 16 ARG N N 16 122.883 122.883 120.762 2.121 25919 11689 1 19 . 1 1 16 16 ARG HA H 16 4.235 4.235 4.067 0.168 25919 11690 1 19 . 1 1 16 16 ARG CA C 16 61.660 61.660 58.668 2.992 25919 11691 1 19 . 1 1 16 16 ARG CB C 16 30.877 30.877 29.680 1.197 25919 11692 1 19 . 1 1 16 16 ARG H H 16 8.567 8.567 8.382 0.185 25919 11693 1 19 . 1 1 17 17 VAL N N 17 118.523 118.523 119.681 -1.158 25919 11694 1 19 . 1 1 17 17 VAL HA H 17 3.865 3.865 3.697 0.168 25919 11695 1 19 . 1 1 17 17 VAL C C 17 174.213 174.213 178.306 -4.093 25919 11696 1 19 . 1 1 17 17 VAL CA C 17 65.550 65.550 66.576 -1.026 25919 11697 1 19 . 1 1 17 17 VAL CB C 17 32.171 32.171 31.533 0.638 25919 11698 1 19 . 1 1 17 17 VAL H H 17 8.430 8.430 8.391 0.039 25919 11699 1 19 . 1 1 18 18 GLU N N 18 120.170 120.170 119.831 0.339 25919 11700 1 19 . 1 1 18 18 GLU HA H 18 4.212 4.212 3.987 0.225 25919 11701 1 19 . 1 1 18 18 GLU C C 18 175.758 175.758 178.560 -2.802 25919 11702 1 19 . 1 1 18 18 GLU CA C 18 58.488 58.488 59.402 -0.914 25919 11703 1 19 . 1 1 18 18 GLU CB C 18 29.360 29.360 29.125 0.235 25919 11704 1 19 . 1 1 18 18 GLU H H 18 7.423 7.423 7.671 -0.248 25919 11705 1 19 . 1 1 19 19 ASP N N 19 121.273 121.273 120.069 1.204 25919 11706 1 19 . 1 1 19 19 ASP HA H 19 4.384 4.384 4.363 0.021 25919 11707 1 19 . 1 1 19 19 ASP C C 19 177.016 177.016 178.690 -1.674 25919 11708 1 19 . 1 1 19 19 ASP CA C 19 56.900 56.900 58.069 -1.169 25919 11709 1 19 . 1 1 19 19 ASP CB C 19 41.884 41.884 40.598 1.286 25919 11710 1 19 . 1 1 19 19 ASP H H 19 7.955 7.955 8.450 -0.495 25919 11711 1 19 . 1 1 20 20 VAL N N 20 119.523 119.523 117.636 1.887 25919 11712 1 19 . 1 1 20 20 VAL HA H 20 3.232 3.232 3.884 -0.652 25919 11713 1 19 . 1 1 20 20 VAL C C 20 173.876 173.876 177.683 -3.807 25919 11714 1 19 . 1 1 20 20 VAL CA C 20 66.128 66.128 66.337 -0.209 25919 11715 1 19 . 1 1 20 20 VAL CB C 20 31.099 31.099 31.191 -0.092 25919 11716 1 19 . 1 1 20 20 VAL H H 20 7.818 7.818 8.301 -0.483 25919 11717 1 19 . 1 1 21 21 ARG N N 21 120.310 120.310 121.463 -1.153 25919 11718 1 19 . 1 1 21 21 ARG HA H 21 3.803 3.803 4.066 -0.263 25919 11719 1 19 . 1 1 21 21 ARG CA C 21 59.934 59.934 59.904 0.030 25919 11720 1 19 . 1 1 21 21 ARG CB C 21 30.076 30.076 30.214 -0.138 25919 11721 1 19 . 1 1 21 21 ARG H H 21 8.037 8.037 7.898 0.139 25919 11722 1 19 . 1 1 22 22 LEU N N 22 118.660 118.660 120.410 -1.750 25919 11723 1 19 . 1 1 22 22 LEU HA H 22 4.094 4.094 3.932 0.162 25919 11724 1 19 . 1 1 22 22 LEU C C 22 177.626 177.626 178.844 -1.218 25919 11725 1 19 . 1 1 22 22 LEU CA C 22 57.738 57.738 58.388 -0.650 25919 11726 1 19 . 1 1 22 22 LEU CB C 22 42.222 42.222 41.862 0.360 25919 11727 1 19 . 1 1 22 22 LEU H H 22 8.050 8.050 8.601 -0.551 25919 11728 1 19 . 1 1 23 23 ILE N N 23 122.825 122.825 118.939 3.886 25919 11729 1 19 . 1 1 23 23 ILE HA H 23 4.122 4.122 3.731 0.391 25919 11730 1 19 . 1 1 23 23 ILE C C 23 176.226 176.226 178.183 -1.957 25919 11731 1 19 . 1 1 23 23 ILE CA C 23 61.243 61.243 63.719 -2.476 25919 11732 1 19 . 1 1 23 23 ILE CB C 23 38.268 38.268 36.711 1.557 25919 11733 1 19 . 1 1 23 23 ILE H H 23 8.390 8.390 8.501 -0.111 25919 11734 1 19 . 1 1 24 24 ARG N N 24 122.365 122.365 120.702 1.663 25919 11735 1 19 . 1 1 24 24 ARG HA H 24 4.017 4.017 4.030 -0.013 25919 11736 1 19 . 1 1 24 24 ARG CA C 24 57.684 57.684 58.529 -0.845 25919 11737 1 19 . 1 1 24 24 ARG CB C 24 28.817 28.817 29.758 -0.941 25919 11738 1 19 . 1 1 24 24 ARG H H 24 8.540 8.540 8.376 0.164 25919 11739 1 19 . 1 1 25 25 GLU N N 25 118.383 118.383 118.549 -0.166 25919 11740 1 19 . 1 1 25 25 GLU HA H 25 4.044 4.044 4.106 -0.062 25919 11741 1 19 . 1 1 25 25 GLU CA C 25 58.680 58.680 58.486 0.194 25919 11742 1 19 . 1 1 25 25 GLU CB C 25 29.850 29.850 29.308 0.542 25919 11743 1 19 . 1 1 25 25 GLU H H 25 7.287 7.287 8.070 -0.783 25919 11744 1 19 . 1 1 26 26 GLN N N 26 117.165 117.165 117.795 -0.630 25919 11745 1 19 . 1 1 26 26 GLN HA H 26 3.948 3.948 3.986 -0.038 25919 11746 1 19 . 1 1 26 26 GLN C C 26 176.221 176.221 177.012 -0.791 25919 11747 1 19 . 1 1 26 26 GLN CA C 26 57.638 57.638 58.026 -0.388 25919 11748 1 19 . 1 1 26 26 GLN CB C 26 30.320 30.320 29.478 0.842 25919 11749 1 19 . 1 1 26 26 GLN H H 26 7.423 7.423 8.021 -0.598 25919 11750 1 19 . 1 1 27 27 HIS N N 27 117.140 117.140 115.378 1.762 25919 11751 1 19 . 1 1 27 27 HIS HA H 27 4.866 4.866 4.995 -0.129 25919 11752 1 19 . 1 1 27 27 HIS CA C 27 53.305 53.305 52.379 0.926 25919 11753 1 19 . 1 1 27 27 HIS CB C 27 30.917 30.917 29.287 1.630 25919 11754 1 19 . 1 1 27 27 HIS H H 27 8.254 8.254 8.171 0.083 25919 11755 1 19 . 1 1 28 28 PRO HA H 28 4.609 4.609 4.433 0.176 25919 11756 1 19 . 1 1 28 28 PRO CA C 28 64.881 64.881 65.187 -0.306 25919 11757 1 19 . 1 1 28 28 PRO CB C 28 32.554 32.554 32.139 0.415 25919 11758 1 19 . 1 1 29 29 THR N N 29 107.339 107.339 106.055 1.284 25919 11759 1 19 . 1 1 29 29 THR HA H 29 4.644 4.644 4.187 0.457 25919 11760 1 19 . 1 1 29 29 THR C C 29 172.933 172.933 174.127 -1.194 25919 11761 1 19 . 1 1 29 29 THR CA C 29 60.600 60.600 62.142 -1.542 25919 11762 1 19 . 1 1 29 29 THR CB C 29 68.520 68.520 68.613 -0.093 25919 11763 1 19 . 1 1 29 29 THR H H 29 7.764 7.764 8.285 -0.521 25919 11764 1 19 . 1 1 30 30 LYS N N 30 118.273 118.273 121.958 -3.685 25919 11765 1 19 . 1 1 30 30 LYS HA H 30 4.926 4.926 4.897 0.029 25919 11766 1 19 . 1 1 30 30 LYS C C 30 175.010 175.010 175.650 -0.640 25919 11767 1 19 . 1 1 30 30 LYS CA C 30 53.740 53.740 55.486 -1.746 25919 11768 1 19 . 1 1 30 30 LYS CB C 30 36.445 36.445 34.434 2.011 25919 11769 1 19 . 1 1 30 30 LYS H H 30 7.478 7.478 7.713 -0.235 25919 11770 1 19 . 1 1 31 31 ILE N N 31 123.498 123.498 123.330 0.168 25919 11771 1 19 . 1 1 31 31 ILE HA H 31 4.139 4.139 4.312 -0.173 25919 11772 1 19 . 1 1 31 31 ILE CA C 31 54.669 54.669 56.491 -1.822 25919 11773 1 19 . 1 1 31 31 ILE CB C 31 38.427 38.427 37.443 0.984 25919 11774 1 19 . 1 1 31 31 ILE H H 31 9.235 9.235 8.836 0.399 25919 11775 1 19 . 1 1 32 32 PRO HA H 32 5.212 5.212 4.713 0.499 25919 11776 1 19 . 1 1 32 32 PRO C C 32 174.832 174.832 175.818 -0.986 25919 11777 1 19 . 1 1 32 32 PRO CA C 32 61.678 61.678 62.344 -0.666 25919 11778 1 19 . 1 1 32 32 PRO CB C 32 30.993 30.993 32.002 -1.009 25919 11779 1 19 . 1 1 33 33 VAL N N 33 124.964 124.964 125.443 -0.479 25919 11780 1 19 . 1 1 33 33 VAL HA H 33 5.234 5.234 4.916 0.318 25919 11781 1 19 . 1 1 33 33 VAL CA C 33 59.611 59.611 61.173 -1.562 25919 11782 1 19 . 1 1 33 33 VAL CB C 33 35.711 35.711 35.628 0.083 25919 11783 1 19 . 1 1 33 33 VAL H H 33 9.289 9.289 9.082 0.207 25919 11784 1 19 . 1 1 34 34 ILE N N 34 127.908 127.908 126.048 1.860 25919 11785 1 19 . 1 1 34 34 ILE HA H 34 4.742 4.742 4.446 0.296 25919 11786 1 19 . 1 1 34 34 ILE CA C 34 56.330 56.330 58.814 -2.484 25919 11787 1 19 . 1 1 34 34 ILE CB C 34 36.629 36.629 38.410 -1.781 25919 11788 1 19 . 1 1 34 34 ILE H H 34 8.594 8.594 9.053 -0.459 25919 11789 1 19 . 1 1 35 35 ILE N N 35 125.405 125.405 127.185 -1.780 25919 11790 1 19 . 1 1 35 35 ILE HA H 35 4.879 4.879 5.501 -0.622 25919 11791 1 19 . 1 1 35 35 ILE C C 35 176.126 176.126 174.027 2.099 25919 11792 1 19 . 1 1 35 35 ILE CA C 35 60.923 60.923 59.512 1.411 25919 11793 1 19 . 1 1 35 35 ILE CB C 35 38.968 38.968 41.750 -2.782 25919 11794 1 19 . 1 1 35 35 ILE H H 35 8.545 8.545 8.390 0.155 25919 11795 1 19 . 1 1 36 36 GLU N N 36 124.153 124.153 126.990 -2.837 25919 11796 1 19 . 1 1 36 36 GLU HA H 36 4.789 4.789 4.986 -0.197 25919 11797 1 19 . 1 1 36 36 GLU C C 36 173.645 173.645 175.251 -1.606 25919 11798 1 19 . 1 1 36 36 GLU CA C 36 54.282 54.282 54.330 -0.048 25919 11799 1 19 . 1 1 36 36 GLU CB C 36 35.401 35.401 34.648 0.753 25919 11800 1 19 . 1 1 36 36 GLU H H 36 8.363 8.363 8.458 -0.095 25919 11801 1 19 . 1 1 37 37 ARG N N 37 123.957 123.957 124.600 -0.643 25919 11802 1 19 . 1 1 37 37 ARG HA H 37 2.804 2.804 3.402 -0.598 25919 11803 1 19 . 1 1 37 37 ARG C C 37 176.456 176.456 176.268 0.188 25919 11804 1 19 . 1 1 37 37 ARG CA C 37 56.120 56.120 56.228 -0.108 25919 11805 1 19 . 1 1 37 37 ARG CB C 37 31.500 31.500 30.576 0.924 25919 11806 1 19 . 1 1 37 37 ARG H H 37 8.853 8.853 8.596 0.257 25919 11807 1 19 . 1 1 38 38 TYR N N 38 129.636 129.636 126.450 3.186 25919 11808 1 19 . 1 1 38 38 TYR HA H 38 4.311 4.311 4.210 0.101 25919 11809 1 19 . 1 1 38 38 TYR CA C 38 57.907 57.907 59.314 -1.407 25919 11810 1 19 . 1 1 38 38 TYR CB C 38 39.567 39.567 39.515 0.052 25919 11811 1 19 . 1 1 38 38 TYR H H 38 8.663 8.663 8.358 0.305 25919 11812 1 19 . 1 1 39 39 LYS N N 39 130.772 130.772 127.413 3.359 25919 11813 1 19 . 1 1 39 39 LYS HA H 39 3.848 3.848 3.681 0.167 25919 11814 1 19 . 1 1 39 39 LYS CA C 39 58.986 58.986 59.106 -0.120 25919 11815 1 19 . 1 1 39 39 LYS CB C 39 31.777 31.777 31.778 -0.001 25919 11816 1 19 . 1 1 39 39 LYS H H 39 8.389 8.389 8.156 0.233 25919 11817 1 19 . 1 1 40 40 GLY N N 40 106.013 106.013 101.589 4.424 25919 11818 1 19 . 1 1 40 40 GLY C C 40 173.407 173.407 174.330 -0.923 25919 11819 1 19 . 1 1 40 40 GLY CA C 40 44.796 44.796 44.764 0.032 25919 11820 1 19 . 1 1 40 40 GLY H H 40 5.643 5.643 6.539 -0.896 25919 11821 1 19 . 1 1 41 41 GLU N N 41 123.519 123.519 120.156 3.363 25919 11822 1 19 . 1 1 41 41 GLU HA H 41 4.265 4.265 4.487 -0.222 25919 11823 1 19 . 1 1 41 41 GLU C C 41 176.231 176.231 175.980 0.251 25919 11824 1 19 . 1 1 41 41 GLU CA C 41 56.365 56.365 55.661 0.704 25919 11825 1 19 . 1 1 41 41 GLU CB C 41 31.077 31.077 30.680 0.397 25919 11826 1 19 . 1 1 41 41 GLU H H 41 7.464 7.464 7.073 0.391 25919 11827 1 19 . 1 1 42 42 LYS N N 42 124.405 124.405 127.312 -2.907 25919 11828 1 19 . 1 1 42 42 LYS HA H 42 4.669 4.669 4.357 0.312 25919 11829 1 19 . 1 1 42 42 LYS C C 42 177.170 177.170 176.330 0.840 25919 11830 1 19 . 1 1 42 42 LYS CA C 42 55.750 55.750 55.361 0.389 25919 11831 1 19 . 1 1 42 42 LYS CB C 42 34.929 34.929 30.217 4.712 25919 11832 1 19 . 1 1 42 42 LYS H H 42 8.895 8.895 8.584 0.311 25919 11833 1 19 . 1 1 43 43 GLN N N 43 119.903 119.903 119.542 0.361 25919 11834 1 19 . 1 1 43 43 GLN HA H 43 4.541 4.541 4.174 0.367 25919 11835 1 19 . 1 1 43 43 GLN C C 43 177.260 177.260 176.750 0.510 25919 11836 1 19 . 1 1 43 43 GLN CA C 43 57.566 57.566 57.371 0.195 25919 11837 1 19 . 1 1 43 43 GLN CB C 43 30.620 30.620 29.252 1.368 25919 11838 1 19 . 1 1 43 43 GLN H H 43 8.459 8.459 7.764 0.695 25919 11839 1 19 . 1 1 44 44 LEU N N 44 121.272 121.272 121.423 -0.151 25919 11840 1 19 . 1 1 44 44 LEU HA H 44 4.726 4.726 4.514 0.212 25919 11841 1 19 . 1 1 44 44 LEU CA C 44 53.165 53.165 53.238 -0.073 25919 11842 1 19 . 1 1 44 44 LEU CB C 44 43.444 43.444 41.984 1.460 25919 11843 1 19 . 1 1 44 44 LEU H H 44 9.002 9.002 8.311 0.691 25919 11844 1 19 . 1 1 45 45 PRO HA H 45 4.722 4.722 4.396 0.326 25919 11845 1 19 . 1 1 45 45 PRO CA C 45 62.169 62.169 62.606 -0.437 25919 11846 1 19 . 1 1 45 45 PRO CB C 45 32.722 32.722 32.252 0.470 25919 11847 1 19 . 1 1 46 46 VAL N N 46 118.403 118.403 120.881 -2.478 25919 11848 1 19 . 1 1 46 46 VAL HA H 46 4.009 4.009 4.016 -0.007 25919 11849 1 19 . 1 1 46 46 VAL C C 46 173.416 173.416 175.996 -2.580 25919 11850 1 19 . 1 1 46 46 VAL CA C 46 62.413 62.413 62.644 -0.231 25919 11851 1 19 . 1 1 46 46 VAL CB C 46 33.087 33.087 30.189 2.898 25919 11852 1 19 . 1 1 46 46 VAL H H 46 8.349 8.349 8.334 0.015 25919 11853 1 19 . 1 1 47 47 LEU N N 47 128.653 128.653 124.852 3.801 25919 11854 1 19 . 1 1 47 47 LEU HA H 47 4.452 4.452 4.381 0.071 25919 11855 1 19 . 1 1 47 47 LEU CA C 47 54.758 54.758 54.876 -0.118 25919 11856 1 19 . 1 1 47 47 LEU CB C 47 44.076 44.076 42.782 1.294 25919 11857 1 19 . 1 1 47 47 LEU H H 47 8.064 8.064 7.862 0.202 25919 11858 1 19 . 1 1 48 48 ASP N N 48 121.042 121.042 120.022 1.020 25919 11859 1 19 . 1 1 48 48 ASP HA H 48 4.347 4.347 4.719 -0.372 25919 11860 1 19 . 1 1 48 48 ASP CA C 48 55.600 55.600 53.066 2.534 25919 11861 1 19 . 1 1 48 48 ASP CB C 48 40.407 40.407 38.982 1.425 25919 11862 1 19 . 1 1 48 48 ASP H H 48 8.649 8.649 8.723 -0.074 25919 11863 1 19 . 1 1 49 49 LYS N N 49 118.877 118.877 119.540 -0.663 25919 11864 1 19 . 1 1 49 49 LYS HA H 49 4.541 4.541 4.505 0.036 25919 11865 1 19 . 1 1 49 49 LYS C C 49 179.744 179.744 176.149 3.595 25919 11866 1 19 . 1 1 49 49 LYS CA C 49 54.099 54.099 55.645 -1.546 25919 11867 1 19 . 1 1 49 49 LYS CB C 49 35.378 35.378 34.437 0.941 25919 11868 1 19 . 1 1 49 49 LYS H H 49 7.287 7.287 7.802 -0.515 25919 11869 1 19 . 1 1 50 50 THR N N 50 114.691 114.691 113.306 1.385 25919 11870 1 19 . 1 1 50 50 THR HA H 50 4.628 4.628 4.749 -0.121 25919 11871 1 19 . 1 1 50 50 THR CA C 50 63.920 63.920 61.560 2.360 25919 11872 1 19 . 1 1 50 50 THR CB C 50 71.365 71.365 71.344 0.021 25919 11873 1 19 . 1 1 50 50 THR H H 50 8.064 8.064 8.317 -0.253 25919 11874 1 19 . 1 1 51 51 LYS N N 51 120.273 120.273 121.408 -1.135 25919 11875 1 19 . 1 1 51 51 LYS HA H 51 4.570 4.570 4.690 -0.120 25919 11876 1 19 . 1 1 51 51 LYS CA C 51 54.997 54.997 55.627 -0.630 25919 11877 1 19 . 1 1 51 51 LYS CB C 51 32.700 32.700 34.674 -1.974 25919 11878 1 19 . 1 1 51 51 LYS H H 51 7.192 7.192 7.138 0.054 25919 11879 1 19 . 1 1 52 52 PHE N N 52 121.816 121.816 120.197 1.619 25919 11880 1 19 . 1 1 52 52 PHE HA H 52 5.503 5.503 4.751 0.752 25919 11881 1 19 . 1 1 52 52 PHE CA C 52 56.104 56.104 56.766 -0.662 25919 11882 1 19 . 1 1 52 52 PHE CB C 52 43.188 43.188 43.903 -0.715 25919 11883 1 19 . 1 1 52 52 PHE H H 52 9.466 9.466 8.833 0.633 25919 11884 1 19 . 1 1 53 53 LEU N N 53 120.846 120.846 121.749 -0.903 25919 11885 1 19 . 1 1 53 53 LEU HA H 53 5.135 5.135 5.566 -0.431 25919 11886 1 19 . 1 1 53 53 LEU C C 53 175.042 175.042 175.792 -0.750 25919 11887 1 19 . 1 1 53 53 LEU CA C 53 52.916 52.916 53.391 -0.475 25919 11888 1 19 . 1 1 53 53 LEU CB C 53 45.242 45.242 44.989 0.253 25919 11889 1 19 . 1 1 53 53 LEU H H 53 8.608 8.608 8.560 0.048 25919 11890 1 19 . 1 1 54 54 VAL N N 54 123.773 123.773 121.563 2.210 25919 11891 1 19 . 1 1 54 54 VAL HA H 54 4.755 4.755 4.573 0.182 25919 11892 1 19 . 1 1 54 54 VAL CA C 54 58.622 58.622 59.118 -0.496 25919 11893 1 19 . 1 1 54 54 VAL CB C 54 35.150 35.150 35.145 0.005 25919 11894 1 19 . 1 1 54 54 VAL H H 54 8.801 8.801 8.693 0.108 25919 11895 1 19 . 1 1 55 55 PRO HA H 55 4.435 4.435 4.627 -0.192 25919 11896 1 19 . 1 1 55 55 PRO C C 55 176.427 176.427 178.072 -1.645 25919 11897 1 19 . 1 1 55 55 PRO CA C 55 64.298 64.298 62.822 1.476 25919 11898 1 19 . 1 1 55 55 PRO CB C 55 32.822 32.822 32.052 0.770 25919 11899 1 19 . 1 1 56 56 ASP N N 56 121.214 121.214 124.864 -3.650 25919 11900 1 19 . 1 1 56 56 ASP HA H 56 3.880 3.880 4.215 -0.335 25919 11901 1 19 . 1 1 56 56 ASP CA C 56 56.742 56.742 57.869 -1.127 25919 11902 1 19 . 1 1 56 56 ASP CB C 56 40.481 40.481 40.026 0.455 25919 11903 1 19 . 1 1 56 56 ASP H H 56 8.336 8.336 8.873 -0.537 25919 11904 1 19 . 1 1 57 57 HIS N N 57 114.277 114.277 118.107 -3.830 25919 11905 1 19 . 1 1 57 57 HIS HA H 57 4.772 4.772 4.537 0.235 25919 11906 1 19 . 1 1 57 57 HIS C C 57 174.806 174.806 175.754 -0.948 25919 11907 1 19 . 1 1 57 57 HIS CA C 57 55.688 55.688 56.933 -1.245 25919 11908 1 19 . 1 1 57 57 HIS CB C 57 30.450 30.450 29.686 0.764 25919 11909 1 19 . 1 1 57 57 HIS H H 57 7.464 7.464 8.330 -0.866 25919 11910 1 19 . 1 1 58 58 VAL N N 58 123.531 123.531 122.386 1.145 25919 11911 1 19 . 1 1 58 58 VAL HA H 58 3.909 3.909 3.949 -0.040 25919 11912 1 19 . 1 1 58 58 VAL C C 58 177.148 177.148 174.949 2.199 25919 11913 1 19 . 1 1 58 58 VAL CA C 58 62.900 62.900 63.767 -0.867 25919 11914 1 19 . 1 1 58 58 VAL CB C 58 32.320 32.320 32.018 0.302 25919 11915 1 19 . 1 1 58 58 VAL H H 58 7.261 7.261 7.815 -0.554 25919 11916 1 19 . 1 1 59 59 ASN N N 59 124.147 124.147 126.392 -2.245 25919 11917 1 19 . 1 1 59 59 ASN HA H 59 5.174 5.174 4.895 0.279 25919 11918 1 19 . 1 1 59 59 ASN C C 59 175.176 175.176 176.948 -1.772 25919 11919 1 19 . 1 1 59 59 ASN CA C 59 51.374 51.374 54.130 -2.756 25919 11920 1 19 . 1 1 59 59 ASN CB C 59 40.038 40.038 39.253 0.785 25919 11921 1 19 . 1 1 59 59 ASN H H 59 8.819 8.819 8.558 0.261 25919 11922 1 19 . 1 1 60 60 MET N N 60 117.583 117.583 122.443 -4.860 25919 11923 1 19 . 1 1 60 60 MET HA H 60 4.425 4.425 4.110 0.315 25919 11924 1 19 . 1 1 60 60 MET CA C 60 57.271 57.271 57.801 -0.530 25919 11925 1 19 . 1 1 60 60 MET CB C 60 30.063 30.063 31.435 -1.372 25919 11926 1 19 . 1 1 60 60 MET H H 60 8.023 8.023 8.765 -0.742 25919 11927 1 19 . 1 1 61 61 SER N N 61 115.027 115.027 114.404 0.623 25919 11928 1 19 . 1 1 61 61 SER HA H 61 4.138 4.138 4.249 -0.111 25919 11929 1 19 . 1 1 61 61 SER C C 61 178.809 178.809 176.875 1.934 25919 11930 1 19 . 1 1 61 61 SER CA C 61 61.553 61.553 61.155 0.398 25919 11931 1 19 . 1 1 61 61 SER CB C 61 62.581 62.581 62.844 -0.263 25919 11932 1 19 . 1 1 61 61 SER H H 61 8.350 8.350 8.278 0.072 25919 11933 1 19 . 1 1 62 62 GLU N N 62 123.657 123.657 123.183 0.474 25919 11934 1 19 . 1 1 62 62 GLU HA H 62 3.979 3.979 4.107 -0.128 25919 11935 1 19 . 1 1 62 62 GLU C C 62 176.456 176.456 178.325 -1.869 25919 11936 1 19 . 1 1 62 62 GLU CA C 62 58.726 58.726 58.668 0.058 25919 11937 1 19 . 1 1 62 62 GLU CB C 62 29.700 29.700 29.307 0.393 25919 11938 1 19 . 1 1 62 62 GLU H H 62 7.994 7.994 8.002 -0.008 25919 11939 1 19 . 1 1 63 63 LEU N N 63 121.225 121.225 121.363 -0.138 25919 11940 1 19 . 1 1 63 63 LEU HA H 63 3.949 3.949 3.951 -0.002 25919 11941 1 19 . 1 1 63 63 LEU C C 63 178.113 178.113 178.647 -0.534 25919 11942 1 19 . 1 1 63 63 LEU CA C 63 57.860 57.860 58.124 -0.264 25919 11943 1 19 . 1 1 63 63 LEU CB C 63 41.526 41.526 41.784 -0.258 25919 11944 1 19 . 1 1 63 63 LEU H H 63 8.223 8.223 8.222 0.001 25919 11945 1 19 . 1 1 64 64 ILE N N 64 119.273 119.273 119.260 0.013 25919 11946 1 19 . 1 1 64 64 ILE HA H 64 3.375 3.375 3.555 -0.180 25919 11947 1 19 . 1 1 64 64 ILE CA C 64 66.723 66.723 66.135 0.588 25919 11948 1 19 . 1 1 64 64 ILE CB C 64 38.161 38.161 37.582 0.579 25919 11949 1 19 . 1 1 64 64 ILE H H 64 8.301 8.301 8.497 -0.196 25919 11950 1 19 . 1 1 65 65 LYS N N 65 119.143 119.143 120.493 -1.350 25919 11951 1 19 . 1 1 65 65 LYS HA H 65 3.703 3.703 3.965 -0.262 25919 11952 1 19 . 1 1 65 65 LYS C C 65 173.869 173.869 179.062 -5.193 25919 11953 1 19 . 1 1 65 65 LYS CA C 65 60.451 60.451 59.881 0.570 25919 11954 1 19 . 1 1 65 65 LYS CB C 65 32.300 32.300 32.360 -0.060 25919 11955 1 19 . 1 1 65 65 LYS H H 65 7.300 7.300 7.649 -0.349 25919 11956 1 19 . 1 1 66 66 ILE N N 66 120.527 120.527 121.178 -0.651 25919 11957 1 19 . 1 1 66 66 ILE HA H 66 3.541 3.541 3.763 -0.222 25919 11958 1 19 . 1 1 66 66 ILE C C 66 176.459 176.459 177.638 -1.179 25919 11959 1 19 . 1 1 66 66 ILE CA C 66 65.290 65.290 63.876 1.414 25919 11960 1 19 . 1 1 66 66 ILE CB C 66 38.254 38.254 37.640 0.614 25919 11961 1 19 . 1 1 66 66 ILE H H 66 8.048 8.048 7.575 0.473 25919 11962 1 19 . 1 1 67 67 ILE N N 67 121.527 121.527 121.037 0.490 25919 11963 1 19 . 1 1 67 67 ILE HA H 67 3.336 3.336 3.481 -0.145 25919 11964 1 19 . 1 1 67 67 ILE C C 67 178.102 178.102 178.201 -0.099 25919 11965 1 19 . 1 1 67 67 ILE CA C 67 63.952 63.952 64.484 -0.532 25919 11966 1 19 . 1 1 67 67 ILE CB C 67 35.891 35.891 36.441 -0.551 25919 11967 1 19 . 1 1 67 67 ILE H H 67 8.308 8.308 8.384 -0.076 25919 11968 1 19 . 1 1 68 68 ARG N N 68 119.384 119.384 119.998 -0.614 25919 11969 1 19 . 1 1 68 68 ARG HA H 68 2.970 2.970 3.473 -0.503 25919 11970 1 19 . 1 1 68 68 ARG C C 68 172.723 172.723 178.165 -5.442 25919 11971 1 19 . 1 1 68 68 ARG CA C 68 60.704 60.704 59.924 0.780 25919 11972 1 19 . 1 1 68 68 ARG CB C 68 30.320 30.320 30.103 0.217 25919 11973 1 19 . 1 1 68 68 ARG H H 68 8.336 8.336 8.452 -0.116 25919 11974 1 19 . 1 1 69 69 ARG N N 69 117.648 117.648 119.080 -1.432 25919 11975 1 19 . 1 1 69 69 ARG HA H 69 4.138 4.138 4.056 0.082 25919 11976 1 19 . 1 1 69 69 ARG C C 69 172.480 172.480 179.549 -7.069 25919 11977 1 19 . 1 1 69 69 ARG CA C 69 58.645 58.645 58.301 0.344 25919 11978 1 19 . 1 1 69 69 ARG CB C 69 29.779 29.779 29.660 0.119 25919 11979 1 19 . 1 1 69 69 ARG H H 69 7.432 7.432 7.667 -0.235 25919 11980 1 19 . 1 1 70 70 ARG N N 70 124.006 124.006 120.763 3.243 25919 11981 1 19 . 1 1 70 70 ARG HA H 70 4.074 4.074 4.169 -0.095 25919 11982 1 19 . 1 1 70 70 ARG C C 70 178.799 178.799 178.785 0.014 25919 11983 1 19 . 1 1 70 70 ARG CA C 70 58.385 58.385 58.272 0.113 25919 11984 1 19 . 1 1 70 70 ARG CB C 70 30.043 30.043 29.689 0.354 25919 11985 1 19 . 1 1 70 70 ARG H H 70 8.212 8.212 8.459 -0.247 25919 11986 1 19 . 1 1 71 71 LEU N N 71 117.764 117.764 118.105 -0.341 25919 11987 1 19 . 1 1 71 71 LEU HA H 71 4.085 4.085 4.205 -0.120 25919 11988 1 19 . 1 1 71 71 LEU CA C 71 55.063 55.063 54.922 0.141 25919 11989 1 19 . 1 1 71 71 LEU CB C 71 43.100 43.100 41.754 1.347 25919 11990 1 19 . 1 1 71 71 LEU H H 71 7.750 7.750 8.066 -0.316 25919 11991 1 19 . 1 1 72 72 GLN N N 72 115.522 115.522 112.896 2.626 25919 11992 1 19 . 1 1 72 72 GLN HA H 72 3.839 3.839 3.915 -0.076 25919 11993 1 19 . 1 1 72 72 GLN C C 72 175.744 175.744 175.390 0.354 25919 11994 1 19 . 1 1 72 72 GLN CA C 72 56.409 56.409 56.606 -0.197 25919 11995 1 19 . 1 1 72 72 GLN CB C 72 25.959 25.959 25.777 0.182 25919 11996 1 19 . 1 1 72 72 GLN H H 72 7.751 7.751 7.528 0.223 25919 11997 1 19 . 1 1 73 73 LEU N N 73 115.900 115.900 120.377 -4.477 25919 11998 1 19 . 1 1 73 73 LEU HA H 73 4.254 4.254 4.313 -0.059 25919 11999 1 19 . 1 1 73 73 LEU C C 73 178.568 178.568 176.677 1.891 25919 12000 1 19 . 1 1 73 73 LEU CA C 73 54.468 54.468 53.981 0.486 25919 12001 1 19 . 1 1 73 73 LEU CB C 73 42.050 42.050 40.773 1.277 25919 12002 1 19 . 1 1 73 73 LEU H H 73 7.573 7.573 7.475 0.098 25919 12003 1 19 . 1 1 74 74 ASN N N 74 122.154 122.154 124.979 -2.825 25919 12004 1 19 . 1 1 74 74 ASN HA H 74 4.684 4.684 4.539 0.145 25919 12005 1 19 . 1 1 74 74 ASN C C 74 174.122 174.122 176.571 -2.449 25919 12006 1 19 . 1 1 74 74 ASN CA C 74 52.724 52.724 53.855 -1.131 25919 12007 1 19 . 1 1 74 74 ASN CB C 74 39.579 39.579 40.621 -1.042 25919 12008 1 19 . 1 1 74 74 ASN H H 74 8.949 8.949 8.357 0.592 25919 12009 1 19 . 1 1 75 75 ALA N N 75 124.274 124.274 125.661 -1.387 25919 12010 1 19 . 1 1 75 75 ALA HA H 75 3.972 3.972 4.100 -0.128 25919 12011 1 19 . 1 1 75 75 ALA C C 75 178.113 178.113 178.324 -0.211 25919 12012 1 19 . 1 1 75 75 ALA CA C 75 54.900 54.900 54.391 0.509 25919 12013 1 19 . 1 1 75 75 ALA CB C 75 18.708 18.708 18.803 -0.095 25919 12014 1 19 . 1 1 75 75 ALA H H 75 8.690 8.690 8.705 -0.015 25919 12015 1 19 . 1 1 76 76 ASN N N 76 112.911 112.911 114.984 -2.073 25919 12016 1 19 . 1 1 76 76 ASN HA H 76 4.589 4.589 4.596 -0.007 25919 12017 1 19 . 1 1 76 76 ASN C C 76 175.515 175.515 175.724 -0.209 25919 12018 1 19 . 1 1 76 76 ASN CA C 76 53.276 53.276 54.409 -1.133 25919 12019 1 19 . 1 1 76 76 ASN CB C 76 38.343 38.343 38.861 -0.518 25919 12020 1 19 . 1 1 76 76 ASN H H 76 8.340 8.340 8.335 0.005 25919 12021 1 19 . 1 1 77 77 GLN N N 77 121.144 121.144 119.203 1.941 25919 12022 1 19 . 1 1 77 77 GLN HA H 77 4.287 4.287 4.434 -0.147 25919 12023 1 19 . 1 1 77 77 GLN C C 77 175.053 175.053 175.054 -0.001 25919 12024 1 19 . 1 1 77 77 GLN CA C 77 55.856 55.856 54.382 1.474 25919 12025 1 19 . 1 1 77 77 GLN CB C 77 30.320 30.320 28.500 1.820 25919 12026 1 19 . 1 1 77 77 GLN H H 77 7.546 7.546 7.827 -0.281 25919 12027 1 19 . 1 1 78 78 ALA N N 78 131.146 131.146 128.087 3.059 25919 12028 1 19 . 1 1 78 78 ALA HA H 78 4.179 4.179 4.322 -0.143 25919 12029 1 19 . 1 1 78 78 ALA C C 78 176.453 176.453 176.077 0.376 25919 12030 1 19 . 1 1 78 78 ALA CA C 78 52.852 52.852 52.404 0.449 25919 12031 1 19 . 1 1 78 78 ALA CB C 78 20.074 20.074 19.267 0.806 25919 12032 1 19 . 1 1 78 78 ALA H H 78 8.730 8.730 8.748 -0.018 25919 12033 1 19 . 1 1 79 79 PHE N N 79 119.860 119.860 126.184 -6.324 25919 12034 1 19 . 1 1 79 79 PHE HA H 79 4.453 4.453 5.238 -0.785 25919 12035 1 19 . 1 1 79 79 PHE C C 79 171.834 171.834 172.703 -0.869 25919 12036 1 19 . 1 1 79 79 PHE CA C 79 59.115 59.115 57.289 1.826 25919 12037 1 19 . 1 1 79 79 PHE CB C 79 42.246 42.246 42.459 -0.214 25919 12038 1 19 . 1 1 79 79 PHE H H 79 7.601 7.601 8.084 -0.483 25919 12039 1 19 . 1 1 80 80 PHE N N 80 126.800 126.800 124.388 2.412 25919 12040 1 19 . 1 1 80 80 PHE HA H 80 4.396 4.396 4.468 -0.072 25919 12041 1 19 . 1 1 80 80 PHE C C 80 173.169 173.169 173.029 0.140 25919 12042 1 19 . 1 1 80 80 PHE CA C 80 56.859 56.859 56.407 0.452 25919 12043 1 19 . 1 1 80 80 PHE CB C 80 41.946 41.946 43.362 -1.416 25919 12044 1 19 . 1 1 80 80 PHE H H 80 8.504 8.504 8.817 -0.313 25919 12045 1 19 . 1 1 81 81 LEU N N 81 122.590 122.590 125.080 -2.490 25919 12046 1 19 . 1 1 81 81 LEU HA H 81 4.902 4.902 4.683 0.219 25919 12047 1 19 . 1 1 81 81 LEU CA C 81 53.108 53.108 54.267 -1.159 25919 12048 1 19 . 1 1 81 81 LEU CB C 81 45.781 45.781 42.590 3.191 25919 12049 1 19 . 1 1 81 81 LEU H H 81 8.159 8.159 8.538 -0.379 25919 12050 1 19 . 1 1 82 82 LEU N N 82 126.414 126.414 128.437 -2.023 25919 12051 1 19 . 1 1 82 82 LEU HA H 82 4.807 4.807 4.753 0.054 25919 12052 1 19 . 1 1 82 82 LEU C C 82 174.204 174.204 176.137 -1.933 25919 12053 1 19 . 1 1 82 82 LEU CA C 82 54.200 54.200 53.442 0.758 25919 12054 1 19 . 1 1 82 82 LEU CB C 82 43.650 43.650 41.784 1.866 25919 12055 1 19 . 1 1 82 82 LEU H H 82 9.347 9.347 9.314 0.033 25919 12056 1 19 . 1 1 83 83 VAL N N 83 123.910 123.910 125.449 -1.539 25919 12057 1 19 . 1 1 83 83 VAL HA H 83 4.466 4.466 4.166 0.300 25919 12058 1 19 . 1 1 83 83 VAL C C 83 175.891 175.891 177.148 -1.257 25919 12059 1 19 . 1 1 83 83 VAL CA C 83 61.339 61.339 62.939 -1.600 25919 12060 1 19 . 1 1 83 83 VAL CB C 83 34.013 34.013 30.702 3.311 25919 12061 1 19 . 1 1 83 83 VAL H H 83 8.676 8.676 8.394 0.282 25919 12062 1 19 . 1 1 84 84 ASN N N 84 127.149 127.149 128.064 -0.915 25919 12063 1 19 . 1 1 84 84 ASN HA H 84 4.384 4.384 4.486 -0.102 25919 12064 1 19 . 1 1 84 84 ASN CA C 84 54.494 54.494 54.242 0.251 25919 12065 1 19 . 1 1 84 84 ASN CB C 84 37.933 37.933 37.725 0.208 25919 12066 1 19 . 1 1 84 84 ASN H H 84 9.630 9.630 9.279 0.351 25919 12067 1 19 . 1 1 85 85 GLY N N 85 101.905 101.905 103.171 -1.266 25919 12068 1 19 . 1 1 85 85 GLY C C 85 175.112 175.112 172.734 2.378 25919 12069 1 19 . 1 1 85 85 GLY CA C 85 45.624 45.624 45.486 0.138 25919 12070 1 19 . 1 1 85 85 GLY H H 85 8.670 8.670 8.118 0.551 25919 12071 1 19 . 1 1 86 86 HIS N N 86 117.905 117.905 119.914 -2.009 25919 12072 1 19 . 1 1 86 86 HIS HA H 86 5.039 5.039 4.864 0.175 25919 12073 1 19 . 1 1 86 86 HIS CA C 86 53.890 53.890 54.116 -0.226 25919 12074 1 19 . 1 1 86 86 HIS CB C 86 30.888 30.888 32.907 -2.019 25919 12075 1 19 . 1 1 86 86 HIS H H 86 7.927 7.927 7.856 0.071 25919 12076 1 19 . 1 1 87 87 SER N N 87 118.646 118.646 119.571 -0.925 25919 12077 1 19 . 1 1 87 87 SER HA H 87 4.397 4.397 4.396 0.001 25919 12078 1 19 . 1 1 87 87 SER C C 87 175.275 175.275 174.809 0.466 25919 12079 1 19 . 1 1 87 87 SER CA C 87 58.414 58.414 58.527 -0.113 25919 12080 1 19 . 1 1 87 87 SER CB C 87 63.772 63.772 63.587 0.184 25919 12081 1 19 . 1 1 87 87 SER H H 87 8.927 8.927 7.920 1.007 25919 12082 1 19 . 1 1 88 88 MET N N 88 126.013 126.013 126.155 -0.142 25919 12083 1 19 . 1 1 88 88 MET HA H 88 4.851 4.851 4.738 0.113 25919 12084 1 19 . 1 1 88 88 MET C C 88 178.796 178.796 176.878 1.918 25919 12085 1 19 . 1 1 88 88 MET CA C 88 54.727 54.727 55.026 -0.299 25919 12086 1 19 . 1 1 88 88 MET CB C 88 33.309 33.309 33.472 -0.163 25919 12087 1 19 . 1 1 88 88 MET H H 88 9.088 9.088 8.447 0.641 25919 12088 1 19 . 1 1 89 89 VAL N N 89 121.153 121.153 120.171 0.982 25919 12089 1 19 . 1 1 89 89 VAL HA H 89 4.057 4.057 3.772 0.285 25919 12090 1 19 . 1 1 89 89 VAL C C 89 176.695 176.695 176.454 0.241 25919 12091 1 19 . 1 1 89 89 VAL CA C 89 63.592 63.592 66.083 -2.491 25919 12092 1 19 . 1 1 89 89 VAL CB C 89 32.422 32.422 31.421 1.001 25919 12093 1 19 . 1 1 89 89 VAL H H 89 8.144 8.144 7.427 0.717 25919 12094 1 19 . 1 1 90 90 SER N N 90 116.778 116.778 111.392 5.386 25919 12095 1 19 . 1 1 90 90 SER HA H 90 4.561 4.561 4.444 0.117 25919 12096 1 19 . 1 1 90 90 SER C C 90 173.898 173.898 174.975 -1.077 25919 12097 1 19 . 1 1 90 90 SER CA C 90 57.895 57.895 57.745 0.150 25919 12098 1 19 . 1 1 90 90 SER CB C 90 63.133 63.133 63.533 -0.400 25919 12099 1 19 . 1 1 90 90 SER H H 90 8.322 8.322 8.018 0.304 25919 12100 1 19 . 1 1 91 91 VAL N N 91 120.735 120.735 123.982 -3.247 25919 12101 1 19 . 1 1 91 91 VAL HA H 91 4.286 4.286 4.184 0.102 25919 12102 1 19 . 1 1 91 91 VAL CA C 91 62.846 62.846 61.779 1.067 25919 12103 1 19 . 1 1 91 91 VAL CB C 91 32.069 32.069 33.674 -1.605 25919 12104 1 19 . 1 1 91 91 VAL H H 91 8.036 8.036 7.361 0.675 25919 12105 1 19 . 1 1 92 92 SER N N 92 118.146 118.146 123.474 -5.328 25919 12106 1 19 . 1 1 92 92 SER HA H 92 4.549 4.549 4.446 0.103 25919 12107 1 19 . 1 1 92 92 SER CA C 92 57.813 57.813 59.100 -1.287 25919 12108 1 19 . 1 1 92 92 SER CB C 92 63.488 63.488 63.244 0.244 25919 12109 1 19 . 1 1 92 92 SER H H 92 8.470 8.470 8.616 -0.146 25919 12110 1 19 . 1 1 93 93 THR N N 93 119.747 119.747 120.067 -0.320 25919 12111 1 19 . 1 1 93 93 THR HA H 93 4.467 4.467 4.310 0.157 25919 12112 1 19 . 1 1 93 93 THR CA C 93 61.005 61.005 62.157 -1.152 25919 12113 1 19 . 1 1 93 93 THR CB C 93 70.592 70.592 68.467 2.125 25919 12114 1 19 . 1 1 93 93 THR H H 93 7.382 7.382 7.794 -0.412 25919 12115 1 19 . 1 1 94 94 PRO HA H 94 4.424 4.424 4.682 -0.258 25919 12116 1 19 . 1 1 94 94 PRO CA C 94 63.060 63.060 62.531 0.529 25919 12117 1 19 . 1 1 94 94 PRO CB C 94 32.798 32.798 32.504 0.294 25919 12118 1 19 . 1 1 95 95 ILE N N 95 124.894 124.894 123.270 1.624 25919 12119 1 19 . 1 1 95 95 ILE HA H 95 3.984 3.984 3.867 0.117 25919 12120 1 19 . 1 1 95 95 ILE CA C 95 63.963 63.963 63.023 0.940 25919 12121 1 19 . 1 1 95 95 ILE CB C 95 38.200 38.200 38.243 -0.043 25919 12122 1 19 . 1 1 95 95 ILE H H 95 9.358 9.358 8.583 0.775 25919 12123 1 19 . 1 1 96 96 SER N N 96 117.523 117.523 117.829 -0.306 25919 12124 1 19 . 1 1 96 96 SER HA H 96 4.004 4.004 4.078 -0.074 25919 12125 1 19 . 1 1 96 96 SER CA C 96 61.700 61.700 61.959 -0.258 25919 12126 1 19 . 1 1 96 96 SER CB C 96 61.400 61.400 62.527 -1.127 25919 12127 1 19 . 1 1 96 96 SER H H 96 8.202 8.202 8.182 0.020 25919 12128 1 19 . 1 1 97 97 GLU N N 97 123.657 123.657 121.386 2.271 25919 12129 1 19 . 1 1 97 97 GLU HA H 97 4.282 4.282 4.187 0.095 25919 12130 1 19 . 1 1 97 97 GLU CA C 97 58.700 58.700 58.474 0.226 25919 12131 1 19 . 1 1 97 97 GLU CB C 97 29.800 29.800 29.245 0.555 25919 12132 1 19 . 1 1 97 97 GLU H H 97 7.301 7.301 7.633 -0.332 25919 12133 1 19 . 1 1 98 98 VAL N N 98 121.907 121.907 119.805 2.102 25919 12134 1 19 . 1 1 98 98 VAL HA H 98 3.797 3.797 3.777 0.020 25919 12135 1 19 . 1 1 98 98 VAL CA C 98 65.949 65.949 65.621 0.328 25919 12136 1 19 . 1 1 98 98 VAL CB C 98 32.186 32.186 30.733 1.453 25919 12137 1 19 . 1 1 98 98 VAL H H 98 7.410 7.410 7.517 -0.107 25919 12138 1 19 . 1 1 99 99 TYR N N 99 119.526 119.526 122.089 -2.563 25919 12139 1 19 . 1 1 99 99 TYR HA H 99 4.016 4.016 4.038 -0.022 25919 12140 1 19 . 1 1 99 99 TYR C C 99 175.741 175.741 177.502 -1.761 25919 12141 1 19 . 1 1 99 99 TYR CA C 99 62.229 62.229 62.138 0.091 25919 12142 1 19 . 1 1 99 99 TYR CB C 99 38.967 38.967 38.291 0.676 25919 12143 1 19 . 1 1 99 99 TYR H H 99 9.071 9.071 8.751 0.320 25919 12144 1 19 . 1 1 100 100 GLU N N 100 114.405 114.405 117.905 -3.500 25919 12145 1 19 . 1 1 100 100 GLU HA H 100 3.850 3.850 3.634 0.216 25919 12146 1 19 . 1 1 100 100 GLU C C 100 178.094 178.094 178.723 -0.629 25919 12147 1 19 . 1 1 100 100 GLU CA C 100 58.920 58.920 58.602 0.318 25919 12148 1 19 . 1 1 100 100 GLU CB C 100 29.481 29.481 28.987 0.494 25919 12149 1 19 . 1 1 100 100 GLU H H 100 7.342 7.342 7.854 -0.512 25919 12150 1 19 . 1 1 101 101 SER N N 101 109.656 109.656 113.844 -4.188 25919 12151 1 19 . 1 1 101 101 SER HA H 101 4.529 4.529 4.354 0.175 25919 12152 1 19 . 1 1 101 101 SER C C 101 176.681 176.681 175.429 1.252 25919 12153 1 19 . 1 1 101 101 SER CA C 101 60.313 60.313 60.981 -0.668 25919 12154 1 19 . 1 1 101 101 SER CB C 101 64.703 64.703 63.909 0.794 25919 12155 1 19 . 1 1 101 101 SER H H 101 7.410 7.410 7.880 -0.470 25919 12156 1 19 . 1 1 102 102 GLU N N 102 117.283 117.283 117.832 -0.549 25919 12157 1 19 . 1 1 102 102 GLU HA H 102 4.721 4.721 4.677 0.044 25919 12158 1 19 . 1 1 102 102 GLU CA C 102 55.592 55.592 55.618 -0.026 25919 12159 1 19 . 1 1 102 102 GLU CB C 102 30.564 30.564 30.480 0.084 25919 12160 1 19 . 1 1 102 102 GLU H H 102 8.500 8.500 8.123 0.377 25919 12161 1 19 . 1 1 103 103 LYS N N 103 118.772 118.772 119.719 -0.947 25919 12162 1 19 . 1 1 103 103 LYS HA H 103 4.179 4.179 4.320 -0.141 25919 12163 1 19 . 1 1 103 103 LYS C C 103 175.032 175.032 176.337 -1.305 25919 12164 1 19 . 1 1 103 103 LYS CA C 103 57.154 57.154 56.858 0.296 25919 12165 1 19 . 1 1 103 103 LYS CB C 103 32.238 32.238 32.397 -0.159 25919 12166 1 19 . 1 1 103 103 LYS H H 103 7.777 7.777 7.527 0.250 25919 12167 1 19 . 1 1 104 104 ASP N N 104 124.024 124.024 125.416 -1.392 25919 12168 1 19 . 1 1 104 104 ASP HA H 104 5.032 5.032 4.538 0.494 25919 12169 1 19 . 1 1 104 104 ASP C C 104 177.548 177.548 176.614 0.934 25919 12170 1 19 . 1 1 104 104 ASP CA C 104 53.882 53.882 56.305 -2.423 25919 12171 1 19 . 1 1 104 104 ASP CB C 104 43.420 43.420 41.973 1.447 25919 12172 1 19 . 1 1 104 104 ASP H H 104 9.030 9.030 8.997 0.033 25919 12173 1 19 . 1 1 105 105 GLU N N 105 125.669 125.669 117.812 7.857 25919 12174 1 19 . 1 1 105 105 GLU HA H 105 4.179 4.179 4.359 -0.180 25919 12175 1 19 . 1 1 105 105 GLU CA C 105 59.526 59.526 56.904 2.622 25919 12176 1 19 . 1 1 105 105 GLU CB C 105 30.036 30.036 30.299 -0.263 25919 12177 1 19 . 1 1 105 105 GLU H H 105 8.894 8.894 8.047 0.847 25919 12178 1 19 . 1 1 106 106 ASP N N 106 119.257 119.257 119.015 0.242 25919 12179 1 19 . 1 1 106 106 ASP HA H 106 4.180 4.180 4.554 -0.374 25919 12180 1 19 . 1 1 106 106 ASP C C 106 176.018 176.018 176.678 -0.660 25919 12181 1 19 . 1 1 106 106 ASP CA C 106 54.750 54.750 54.679 0.071 25919 12182 1 19 . 1 1 106 106 ASP CB C 106 40.250 40.250 41.193 -0.943 25919 12183 1 19 . 1 1 106 106 ASP H H 106 9.838 9.838 8.172 1.666 25919 12184 1 19 . 1 1 107 107 GLY N N 107 106.307 106.307 105.329 0.978 25919 12185 1 19 . 1 1 107 107 GLY CA C 107 45.125 45.125 44.887 0.238 25919 12186 1 19 . 1 1 107 107 GLY H H 107 7.945 7.945 7.402 0.543 25919 12187 1 19 . 1 1 108 108 PHE N N 108 124.389 124.389 119.469 4.920 25919 12188 1 19 . 1 1 108 108 PHE HA H 108 4.670 4.670 4.601 0.069 25919 12189 1 19 . 1 1 108 108 PHE C C 108 179.501 179.501 174.841 4.660 25919 12190 1 19 . 1 1 108 108 PHE CA C 108 60.288 60.288 56.920 3.368 25919 12191 1 19 . 1 1 108 108 PHE CB C 108 40.506 40.506 38.645 1.861 25919 12192 1 19 . 1 1 108 108 PHE H H 108 9.739 9.739 7.046 2.693 25919 12193 1 19 . 1 1 109 109 LEU N N 109 120.814 120.814 124.481 -3.667 25919 12194 1 19 . 1 1 109 109 LEU HA H 109 5.038 5.038 4.861 0.177 25919 12195 1 19 . 1 1 109 109 LEU CA C 109 53.479 53.479 53.556 -0.077 25919 12196 1 19 . 1 1 109 109 LEU CB C 109 45.197 45.197 43.868 1.329 25919 12197 1 19 . 1 1 109 109 LEU H H 109 7.968 7.968 8.846 -0.878 25919 12198 1 19 . 1 1 110 110 TYR N N 110 127.403 127.403 126.923 0.480 25919 12199 1 19 . 1 1 110 110 TYR HA H 110 4.907 4.907 4.654 0.253 25919 12200 1 19 . 1 1 110 110 TYR CA C 110 59.259 59.259 59.078 0.181 25919 12201 1 19 . 1 1 110 110 TYR CB C 110 39.469 39.469 39.624 -0.155 25919 12202 1 19 . 1 1 110 110 TYR H H 110 9.349 9.349 8.444 0.905 25919 12203 1 19 . 1 1 111 111 MET N N 111 120.344 120.344 123.497 -3.153 25919 12204 1 19 . 1 1 111 111 MET HA H 111 5.543 5.543 5.096 0.447 25919 12205 1 19 . 1 1 111 111 MET CA C 111 54.341 54.341 54.846 -0.505 25919 12206 1 19 . 1 1 111 111 MET CB C 111 36.894 36.894 34.574 2.320 25919 12207 1 19 . 1 1 111 111 MET H H 111 9.575 9.575 9.155 0.420 25919 12208 1 19 . 1 1 112 112 VAL N N 112 121.026 121.026 123.973 -2.947 25919 12209 1 19 . 1 1 112 112 VAL HA H 112 5.938 5.938 5.314 0.624 25919 12210 1 19 . 1 1 112 112 VAL C C 112 176.696 176.696 175.856 0.840 25919 12211 1 19 . 1 1 112 112 VAL CA C 112 59.068 59.068 60.692 -1.624 25919 12212 1 19 . 1 1 112 112 VAL CB C 112 36.180 36.180 33.455 2.725 25919 12213 1 19 . 1 1 112 112 VAL H H 112 8.730 8.730 9.071 -0.341 25919 12214 1 19 . 1 1 113 113 TYR N N 113 119.995 119.995 119.072 0.923 25919 12215 1 19 . 1 1 113 113 TYR HA H 113 6.143 6.143 5.734 0.409 25919 12216 1 19 . 1 1 113 113 TYR C C 113 173.533 173.533 173.261 0.272 25919 12217 1 19 . 1 1 113 113 TYR CA C 113 54.165 54.165 55.506 -1.341 25919 12218 1 19 . 1 1 113 113 TYR CB C 113 43.667 43.667 42.029 1.638 25919 12219 1 19 . 1 1 113 113 TYR H H 113 8.172 8.172 8.714 -0.542 25919 12220 1 19 . 1 1 114 114 ALA N N 114 120.454 120.454 124.749 -4.295 25919 12221 1 19 . 1 1 114 114 ALA HA H 114 4.750 4.750 5.042 -0.292 25919 12222 1 19 . 1 1 114 114 ALA C C 114 176.007 176.007 176.405 -0.398 25919 12223 1 19 . 1 1 114 114 ALA CA C 114 51.356 51.356 51.217 0.140 25919 12224 1 19 . 1 1 114 114 ALA CB C 114 24.623 24.623 22.125 2.498 25919 12225 1 19 . 1 1 114 114 ALA H H 114 8.499 8.499 8.448 0.051 25919 12226 1 19 . 1 1 115 115 SER N N 115 115.279 115.279 114.159 1.120 25919 12227 1 19 . 1 1 115 115 SER HA H 115 4.505 4.505 4.730 -0.225 25919 12228 1 19 . 1 1 115 115 SER C C 115 172.860 172.860 174.747 -1.887 25919 12229 1 19 . 1 1 115 115 SER CA C 115 58.837 58.837 59.738 -0.901 25919 12230 1 19 . 1 1 115 115 SER CB C 115 63.798 63.798 63.630 0.168 25919 12231 1 19 . 1 1 115 115 SER H H 115 9.823 9.823 8.988 0.835 25919 12232 1 19 . 1 1 116 116 GLN N N 116 117.398 117.398 119.173 -1.775 25919 12233 1 19 . 1 1 116 116 GLN HA H 116 4.453 4.453 4.404 0.049 25919 12234 1 19 . 1 1 116 116 GLN C C 116 173.181 173.181 175.372 -2.191 25919 12235 1 19 . 1 1 116 116 GLN CA C 116 54.024 54.024 54.920 -0.896 25919 12236 1 19 . 1 1 116 116 GLN CB C 116 32.179 32.179 30.827 1.352 25919 12237 1 19 . 1 1 116 116 GLN H H 116 7.165 7.165 7.602 -0.437 25919 12238 1 19 . 1 1 117 117 GLU N N 117 118.885 118.885 119.695 -0.810 25919 12239 1 19 . 1 1 117 117 GLU HA H 117 3.224 3.224 3.108 0.116 25919 12240 1 19 . 1 1 117 117 GLU C C 117 175.451 175.451 175.148 0.303 25919 12241 1 19 . 1 1 117 117 GLU CA C 117 56.917 56.917 57.146 -0.229 25919 12242 1 19 . 1 1 117 117 GLU CB C 117 30.206 30.206 28.979 1.228 25919 12243 1 19 . 1 1 117 117 GLU H H 117 7.873 7.873 8.094 -0.221 25919 12244 1 19 . 1 1 118 118 THR N N 118 110.883 110.883 109.736 1.147 25919 12245 1 19 . 1 1 118 118 THR HA H 118 4.074 4.074 4.166 -0.092 25919 12246 1 19 . 1 1 118 118 THR C C 118 173.234 173.234 173.655 -0.421 25919 12247 1 19 . 1 1 118 118 THR CA C 118 60.300 60.300 60.271 0.029 25919 12248 1 19 . 1 1 118 118 THR CB C 118 70.118 70.118 70.727 -0.609 25919 12249 1 19 . 1 1 118 118 THR H H 118 6.988 6.988 7.131 -0.143 25919 12250 1 19 . 1 1 119 119 PHE N N 119 122.773 122.773 121.847 0.926 25919 12251 1 19 . 1 1 119 119 PHE HA H 119 4.397 4.397 4.794 -0.397 25919 12252 1 19 . 1 1 119 119 PHE C C 119 175.045 175.045 175.870 -0.825 25919 12253 1 19 . 1 1 119 119 PHE CA C 119 56.810 56.810 57.033 -0.223 25919 12254 1 19 . 1 1 119 119 PHE CB C 119 39.349 39.349 38.104 1.245 25919 12255 1 19 . 1 1 119 119 PHE H H 119 8.122 8.122 7.684 0.438 25919 12256 1 20 . 1 1 2 2 PRO HA H 2 4.424 4.424 5.116 -0.692 25919 12257 1 20 . 1 1 2 2 PRO C C 2 176.917 176.917 175.890 1.027 25919 12258 1 20 . 1 1 2 2 PRO CA C 2 63.418 63.418 62.498 0.920 25919 12259 1 20 . 1 1 2 2 PRO CB C 2 32.160 32.160 30.978 1.182 25919 12260 1 20 . 1 1 3 3 SER N N 3 116.273 116.273 118.882 -2.609 25919 12261 1 20 . 1 1 3 3 SER HA H 3 4.389 4.389 4.713 -0.324 25919 12262 1 20 . 1 1 3 3 SER C C 3 174.762 174.762 174.871 -0.109 25919 12263 1 20 . 1 1 3 3 SER CA C 3 58.472 58.472 56.651 1.821 25919 12264 1 20 . 1 1 3 3 SER CB C 3 63.913 63.913 65.223 -1.310 25919 12265 1 20 . 1 1 3 3 SER H H 3 8.366 8.366 7.683 0.683 25919 12266 1 20 . 1 1 4 4 GLU N N 4 123.959 123.959 121.106 2.853 25919 12267 1 20 . 1 1 4 4 GLU HA H 4 4.289 4.289 4.337 -0.048 25919 12268 1 20 . 1 1 4 4 GLU C C 4 176.545 176.545 176.710 -0.165 25919 12269 1 20 . 1 1 4 4 GLU CA C 4 56.785 56.785 58.304 -1.519 25919 12270 1 20 . 1 1 4 4 GLU CB C 4 30.200 30.200 29.781 0.419 25919 12271 1 20 . 1 1 4 4 GLU H H 4 8.513 8.513 8.719 -0.206 25919 12272 1 20 . 1 1 5 5 LYS N N 5 122.165 122.165 120.043 2.122 25919 12273 1 20 . 1 1 5 5 LYS HA H 5 4.508 4.508 4.295 0.213 25919 12274 1 20 . 1 1 5 5 LYS C C 5 177.178 177.178 176.567 0.611 25919 12275 1 20 . 1 1 5 5 LYS CA C 5 56.000 56.000 55.657 0.343 25919 12276 1 20 . 1 1 5 5 LYS CB C 5 34.758 34.758 32.508 2.250 25919 12277 1 20 . 1 1 5 5 LYS H H 5 8.198 8.198 7.438 0.760 25919 12278 1 20 . 1 1 6 6 THR N N 6 115.586 115.586 112.926 2.660 25919 12279 1 20 . 1 1 6 6 THR HA H 6 4.426 4.426 4.299 0.127 25919 12280 1 20 . 1 1 6 6 THR C C 6 175.570 175.570 176.553 -0.983 25919 12281 1 20 . 1 1 6 6 THR CA C 6 61.120 61.120 61.434 -0.314 25919 12282 1 20 . 1 1 6 6 THR CB C 6 69.871 69.871 70.230 -0.359 25919 12283 1 20 . 1 1 6 6 THR H H 6 8.423 8.423 8.163 0.260 25919 12284 1 20 . 1 1 7 7 PHE N N 7 126.100 126.100 118.917 7.183 25919 12285 1 20 . 1 1 7 7 PHE HA H 7 3.935 3.935 4.442 -0.507 25919 12286 1 20 . 1 1 7 7 PHE CA C 7 63.687 63.687 58.639 5.048 25919 12287 1 20 . 1 1 7 7 PHE CB C 7 39.656 39.656 38.008 1.648 25919 12288 1 20 . 1 1 7 7 PHE H H 7 10.276 10.276 8.993 1.283 25919 12289 1 20 . 1 1 8 8 LYS N N 8 115.026 115.026 122.325 -7.299 25919 12290 1 20 . 1 1 8 8 LYS HA H 8 3.800 3.800 4.050 -0.250 25919 12291 1 20 . 1 1 8 8 LYS CA C 8 59.944 59.944 57.855 2.089 25919 12292 1 20 . 1 1 8 8 LYS CB C 8 33.852 33.852 31.767 2.085 25919 12293 1 20 . 1 1 8 8 LYS H H 8 8.707 8.707 7.122 1.585 25919 12294 1 20 . 1 1 9 9 GLN N N 9 113.774 113.774 117.357 -3.583 25919 12295 1 20 . 1 1 9 9 GLN HA H 9 4.178 4.178 4.086 0.092 25919 12296 1 20 . 1 1 9 9 GLN C C 9 173.193 173.193 177.618 -4.425 25919 12297 1 20 . 1 1 9 9 GLN CA C 9 56.741 56.741 57.915 -1.174 25919 12298 1 20 . 1 1 9 9 GLN CB C 9 30.065 30.065 29.089 0.976 25919 12299 1 20 . 1 1 9 9 GLN H H 9 7.343 7.343 7.645 -0.302 25919 12300 1 20 . 1 1 10 10 ARG N N 10 119.156 119.156 117.407 1.749 25919 12301 1 20 . 1 1 10 10 ARG HA H 10 4.248 4.248 4.420 -0.172 25919 12302 1 20 . 1 1 10 10 ARG CA C 10 57.555 57.555 56.436 1.119 25919 12303 1 20 . 1 1 10 10 ARG CB C 10 31.771 31.771 31.920 -0.149 25919 12304 1 20 . 1 1 10 10 ARG H H 10 7.912 7.912 7.727 0.185 25919 12305 1 20 . 1 1 11 11 ARG N N 11 120.777 120.777 118.311 2.466 25919 12306 1 20 . 1 1 11 11 ARG HA H 11 4.685 4.685 5.218 -0.533 25919 12307 1 20 . 1 1 11 11 ARG CA C 11 53.161 53.161 53.723 -0.562 25919 12308 1 20 . 1 1 11 11 ARG CB C 11 32.773 32.773 34.078 -1.305 25919 12309 1 20 . 1 1 11 11 ARG H H 11 7.341 7.341 8.193 -0.852 25919 12310 1 20 . 1 1 12 12 THR N N 12 116.696 116.696 112.391 4.305 25919 12311 1 20 . 1 1 12 12 THR HA H 12 4.358 4.358 4.892 -0.534 25919 12312 1 20 . 1 1 12 12 THR C C 12 175.056 175.056 175.643 -0.587 25919 12313 1 20 . 1 1 12 12 THR CA C 12 61.795 61.795 59.107 2.688 25919 12314 1 20 . 1 1 12 12 THR CB C 12 71.050 71.050 71.696 -0.646 25919 12315 1 20 . 1 1 12 12 THR H H 12 8.855 8.855 8.247 0.608 25919 12316 1 20 . 1 1 13 13 PHE N N 13 123.894 123.894 122.473 1.421 25919 12317 1 20 . 1 1 13 13 PHE HA H 13 4.043 4.043 4.165 -0.122 25919 12318 1 20 . 1 1 13 13 PHE C C 13 176.234 176.234 176.528 -0.294 25919 12319 1 20 . 1 1 13 13 PHE CA C 13 62.947 62.947 62.308 0.639 25919 12320 1 20 . 1 1 13 13 PHE CB C 13 39.571 39.571 39.378 0.193 25919 12321 1 20 . 1 1 13 13 PHE H H 13 9.221 9.221 9.005 0.216 25919 12322 1 20 . 1 1 14 14 GLU N N 14 116.516 116.516 117.777 -1.261 25919 12323 1 20 . 1 1 14 14 GLU HA H 14 3.812 3.812 3.842 -0.030 25919 12324 1 20 . 1 1 14 14 GLU CA C 14 60.699 60.699 59.453 1.246 25919 12325 1 20 . 1 1 14 14 GLU CB C 14 28.943 28.943 29.217 -0.274 25919 12326 1 20 . 1 1 14 14 GLU H H 14 9.002 9.002 8.855 0.147 25919 12327 1 20 . 1 1 15 15 GLN N N 15 119.291 119.291 118.549 0.742 25919 12328 1 20 . 1 1 15 15 GLN HA H 15 4.024 4.024 4.031 -0.007 25919 12329 1 20 . 1 1 15 15 GLN C C 15 175.263 175.263 178.568 -3.305 25919 12330 1 20 . 1 1 15 15 GLN CA C 15 58.800 58.800 59.099 -0.299 25919 12331 1 20 . 1 1 15 15 GLN CB C 15 29.300 29.300 28.656 0.644 25919 12332 1 20 . 1 1 15 15 GLN H H 15 7.706 7.706 7.639 0.067 25919 12333 1 20 . 1 1 16 16 ARG N N 16 122.883 122.883 120.621 2.262 25919 12334 1 20 . 1 1 16 16 ARG HA H 16 4.235 4.235 4.082 0.153 25919 12335 1 20 . 1 1 16 16 ARG CA C 16 61.660 61.660 59.523 2.137 25919 12336 1 20 . 1 1 16 16 ARG CB C 16 30.877 30.877 30.041 0.836 25919 12337 1 20 . 1 1 16 16 ARG H H 16 8.567 8.567 8.481 0.086 25919 12338 1 20 . 1 1 17 17 VAL N N 17 118.523 118.523 119.878 -1.355 25919 12339 1 20 . 1 1 17 17 VAL HA H 17 3.865 3.865 3.772 0.093 25919 12340 1 20 . 1 1 17 17 VAL C C 17 174.213 174.213 178.581 -4.368 25919 12341 1 20 . 1 1 17 17 VAL CA C 17 65.550 65.550 66.048 -0.498 25919 12342 1 20 . 1 1 17 17 VAL CB C 17 32.171 32.171 31.175 0.996 25919 12343 1 20 . 1 1 17 17 VAL H H 17 8.430 8.430 8.130 0.300 25919 12344 1 20 . 1 1 18 18 GLU N N 18 120.170 120.170 120.082 0.088 25919 12345 1 20 . 1 1 18 18 GLU HA H 18 4.212 4.212 4.027 0.185 25919 12346 1 20 . 1 1 18 18 GLU C C 18 175.758 175.758 178.671 -2.913 25919 12347 1 20 . 1 1 18 18 GLU CA C 18 58.488 58.488 59.333 -0.845 25919 12348 1 20 . 1 1 18 18 GLU CB C 18 29.360 29.360 29.244 0.116 25919 12349 1 20 . 1 1 18 18 GLU H H 18 7.423 7.423 8.187 -0.764 25919 12350 1 20 . 1 1 19 19 ASP N N 19 121.273 121.273 120.391 0.882 25919 12351 1 20 . 1 1 19 19 ASP HA H 19 4.384 4.384 4.403 -0.019 25919 12352 1 20 . 1 1 19 19 ASP C C 19 177.016 177.016 178.959 -1.943 25919 12353 1 20 . 1 1 19 19 ASP CA C 19 56.900 56.900 57.480 -0.580 25919 12354 1 20 . 1 1 19 19 ASP CB C 19 41.884 41.884 40.384 1.500 25919 12355 1 20 . 1 1 19 19 ASP H H 19 7.955 7.955 8.371 -0.416 25919 12356 1 20 . 1 1 20 20 VAL N N 20 119.523 119.523 120.033 -0.510 25919 12357 1 20 . 1 1 20 20 VAL HA H 20 3.232 3.232 3.489 -0.257 25919 12358 1 20 . 1 1 20 20 VAL C C 20 173.876 173.876 177.491 -3.615 25919 12359 1 20 . 1 1 20 20 VAL CA C 20 66.128 66.128 66.900 -0.772 25919 12360 1 20 . 1 1 20 20 VAL CB C 20 31.099 31.099 31.371 -0.272 25919 12361 1 20 . 1 1 20 20 VAL H H 20 7.818 7.818 8.353 -0.535 25919 12362 1 20 . 1 1 21 21 ARG N N 21 120.310 120.310 120.323 -0.013 25919 12363 1 20 . 1 1 21 21 ARG HA H 21 3.803 3.803 3.985 -0.182 25919 12364 1 20 . 1 1 21 21 ARG CA C 21 59.934 59.934 59.724 0.210 25919 12365 1 20 . 1 1 21 21 ARG CB C 21 30.076 30.076 30.149 -0.073 25919 12366 1 20 . 1 1 21 21 ARG H H 21 8.037 8.037 7.402 0.635 25919 12367 1 20 . 1 1 22 22 LEU N N 22 118.660 118.660 120.241 -1.581 25919 12368 1 20 . 1 1 22 22 LEU HA H 22 4.094 4.094 3.951 0.143 25919 12369 1 20 . 1 1 22 22 LEU C C 22 177.626 177.626 178.719 -1.093 25919 12370 1 20 . 1 1 22 22 LEU CA C 22 57.738 57.738 58.931 -1.193 25919 12371 1 20 . 1 1 22 22 LEU CB C 22 42.222 42.222 41.758 0.464 25919 12372 1 20 . 1 1 22 22 LEU H H 22 8.050 8.050 8.428 -0.378 25919 12373 1 20 . 1 1 23 23 ILE N N 23 122.825 122.825 119.191 3.634 25919 12374 1 20 . 1 1 23 23 ILE HA H 23 4.122 4.122 3.696 0.426 25919 12375 1 20 . 1 1 23 23 ILE C C 23 176.226 176.226 177.727 -1.501 25919 12376 1 20 . 1 1 23 23 ILE CA C 23 61.243 61.243 64.146 -2.903 25919 12377 1 20 . 1 1 23 23 ILE CB C 23 38.268 38.268 37.355 0.913 25919 12378 1 20 . 1 1 23 23 ILE H H 23 8.390 8.390 8.355 0.035 25919 12379 1 20 . 1 1 24 24 ARG N N 24 122.365 122.365 120.676 1.689 25919 12380 1 20 . 1 1 24 24 ARG HA H 24 4.017 4.017 4.022 -0.005 25919 12381 1 20 . 1 1 24 24 ARG CA C 24 57.684 57.684 58.360 -0.676 25919 12382 1 20 . 1 1 24 24 ARG CB C 24 28.817 28.817 29.589 -0.772 25919 12383 1 20 . 1 1 24 24 ARG H H 24 8.540 8.540 8.190 0.350 25919 12384 1 20 . 1 1 25 25 GLU N N 25 118.383 118.383 117.138 1.245 25919 12385 1 20 . 1 1 25 25 GLU HA H 25 4.044 4.044 4.176 -0.132 25919 12386 1 20 . 1 1 25 25 GLU CA C 25 58.680 58.680 58.416 0.264 25919 12387 1 20 . 1 1 25 25 GLU CB C 25 29.850 29.850 29.824 0.026 25919 12388 1 20 . 1 1 25 25 GLU H H 25 7.287 7.287 7.887 -0.600 25919 12389 1 20 . 1 1 26 26 GLN N N 26 117.165 117.165 116.727 0.438 25919 12390 1 20 . 1 1 26 26 GLN HA H 26 3.948 3.948 4.047 -0.099 25919 12391 1 20 . 1 1 26 26 GLN C C 26 176.221 176.221 176.942 -0.721 25919 12392 1 20 . 1 1 26 26 GLN CA C 26 57.638 57.638 57.331 0.307 25919 12393 1 20 . 1 1 26 26 GLN CB C 26 30.320 30.320 29.615 0.705 25919 12394 1 20 . 1 1 26 26 GLN H H 26 7.423 7.423 7.857 -0.434 25919 12395 1 20 . 1 1 27 27 HIS N N 27 117.140 117.140 117.442 -0.302 25919 12396 1 20 . 1 1 27 27 HIS HA H 27 4.866 4.866 4.986 -0.120 25919 12397 1 20 . 1 1 27 27 HIS CA C 27 53.305 53.305 52.852 0.453 25919 12398 1 20 . 1 1 27 27 HIS CB C 27 30.917 30.917 29.925 0.992 25919 12399 1 20 . 1 1 27 27 HIS H H 27 8.254 8.254 8.241 0.013 25919 12400 1 20 . 1 1 28 28 PRO HA H 28 4.609 4.609 4.300 0.309 25919 12401 1 20 . 1 1 28 28 PRO CA C 28 64.881 64.881 64.747 0.134 25919 12402 1 20 . 1 1 28 28 PRO CB C 28 32.554 32.554 32.085 0.469 25919 12403 1 20 . 1 1 29 29 THR N N 29 107.339 107.339 105.603 1.736 25919 12404 1 20 . 1 1 29 29 THR HA H 29 4.644 4.644 4.149 0.495 25919 12405 1 20 . 1 1 29 29 THR C C 29 172.933 172.933 174.014 -1.081 25919 12406 1 20 . 1 1 29 29 THR CA C 29 60.600 60.600 62.597 -1.998 25919 12407 1 20 . 1 1 29 29 THR CB C 29 68.520 68.520 68.988 -0.468 25919 12408 1 20 . 1 1 29 29 THR H H 29 7.764 7.764 8.320 -0.556 25919 12409 1 20 . 1 1 30 30 LYS N N 30 118.273 118.273 120.932 -2.659 25919 12410 1 20 . 1 1 30 30 LYS HA H 30 4.926 4.926 4.975 -0.049 25919 12411 1 20 . 1 1 30 30 LYS C C 30 175.010 175.010 175.560 -0.550 25919 12412 1 20 . 1 1 30 30 LYS CA C 30 53.740 53.740 55.030 -1.290 25919 12413 1 20 . 1 1 30 30 LYS CB C 30 36.445 36.445 35.152 1.293 25919 12414 1 20 . 1 1 30 30 LYS H H 30 7.478 7.478 7.536 -0.058 25919 12415 1 20 . 1 1 31 31 ILE N N 31 123.498 123.498 122.542 0.956 25919 12416 1 20 . 1 1 31 31 ILE HA H 31 4.139 4.139 4.193 -0.054 25919 12417 1 20 . 1 1 31 31 ILE CA C 31 54.669 54.669 55.925 -1.256 25919 12418 1 20 . 1 1 31 31 ILE CB C 31 38.427 38.427 37.707 0.720 25919 12419 1 20 . 1 1 31 31 ILE H H 31 9.235 9.235 8.738 0.497 25919 12420 1 20 . 1 1 32 32 PRO HA H 32 5.212 5.212 4.325 0.887 25919 12421 1 20 . 1 1 32 32 PRO C C 32 174.832 174.832 175.690 -0.858 25919 12422 1 20 . 1 1 32 32 PRO CA C 32 61.678 61.678 62.117 -0.439 25919 12423 1 20 . 1 1 32 32 PRO CB C 32 30.993 30.993 30.243 0.750 25919 12424 1 20 . 1 1 33 33 VAL N N 33 124.964 124.964 119.839 5.125 25919 12425 1 20 . 1 1 33 33 VAL HA H 33 5.234 5.234 5.227 0.007 25919 12426 1 20 . 1 1 33 33 VAL CA C 33 59.611 59.611 58.768 0.843 25919 12427 1 20 . 1 1 33 33 VAL CB C 33 35.711 35.711 35.921 -0.210 25919 12428 1 20 . 1 1 33 33 VAL H H 33 9.289 9.289 8.768 0.521 25919 12429 1 20 . 1 1 34 34 ILE N N 34 127.908 127.908 123.564 4.344 25919 12430 1 20 . 1 1 34 34 ILE HA H 34 4.742 4.742 4.289 0.453 25919 12431 1 20 . 1 1 34 34 ILE CA C 34 56.330 56.330 59.847 -3.517 25919 12432 1 20 . 1 1 34 34 ILE CB C 34 36.629 36.629 41.231 -4.602 25919 12433 1 20 . 1 1 34 34 ILE H H 34 8.594 8.594 8.654 -0.060 25919 12434 1 20 . 1 1 35 35 ILE N N 35 125.405 125.405 126.227 -0.822 25919 12435 1 20 . 1 1 35 35 ILE HA H 35 4.879 4.879 5.128 -0.249 25919 12436 1 20 . 1 1 35 35 ILE C C 35 176.126 176.126 173.909 2.217 25919 12437 1 20 . 1 1 35 35 ILE CA C 35 60.923 60.923 59.390 1.533 25919 12438 1 20 . 1 1 35 35 ILE CB C 35 38.968 38.968 41.411 -2.443 25919 12439 1 20 . 1 1 35 35 ILE H H 35 8.545 8.545 8.034 0.511 25919 12440 1 20 . 1 1 36 36 GLU N N 36 124.153 124.153 127.406 -3.253 25919 12441 1 20 . 1 1 36 36 GLU HA H 36 4.789 4.789 4.858 -0.069 25919 12442 1 20 . 1 1 36 36 GLU C C 36 173.645 173.645 174.947 -1.302 25919 12443 1 20 . 1 1 36 36 GLU CA C 36 54.282 54.282 54.560 -0.278 25919 12444 1 20 . 1 1 36 36 GLU CB C 36 35.401 35.401 34.471 0.930 25919 12445 1 20 . 1 1 36 36 GLU H H 36 8.363 8.363 8.458 -0.095 25919 12446 1 20 . 1 1 37 37 ARG N N 37 123.957 123.957 124.450 -0.493 25919 12447 1 20 . 1 1 37 37 ARG HA H 37 2.804 2.804 4.077 -1.273 25919 12448 1 20 . 1 1 37 37 ARG C C 37 176.456 176.456 176.587 -0.131 25919 12449 1 20 . 1 1 37 37 ARG CA C 37 56.120 56.120 56.221 -0.101 25919 12450 1 20 . 1 1 37 37 ARG CB C 37 31.500 31.500 30.380 1.120 25919 12451 1 20 . 1 1 37 37 ARG H H 37 8.853 8.853 8.646 0.207 25919 12452 1 20 . 1 1 38 38 TYR N N 38 129.636 129.636 125.387 4.249 25919 12453 1 20 . 1 1 38 38 TYR HA H 38 4.311 4.311 4.266 0.045 25919 12454 1 20 . 1 1 38 38 TYR CA C 38 57.907 57.907 59.200 -1.293 25919 12455 1 20 . 1 1 38 38 TYR CB C 38 39.567 39.567 39.723 -0.156 25919 12456 1 20 . 1 1 38 38 TYR H H 38 8.663 8.663 8.100 0.563 25919 12457 1 20 . 1 1 39 39 LYS N N 39 130.772 130.772 127.038 3.734 25919 12458 1 20 . 1 1 39 39 LYS HA H 39 3.848 3.848 3.881 -0.033 25919 12459 1 20 . 1 1 39 39 LYS CA C 39 58.986 58.986 58.126 0.861 25919 12460 1 20 . 1 1 39 39 LYS CB C 39 31.777 31.777 32.158 -0.382 25919 12461 1 20 . 1 1 39 39 LYS H H 39 8.389 8.389 8.623 -0.234 25919 12462 1 20 . 1 1 40 40 GLY N N 40 106.013 106.013 103.557 2.456 25919 12463 1 20 . 1 1 40 40 GLY C C 40 173.407 173.407 173.514 -0.107 25919 12464 1 20 . 1 1 40 40 GLY CA C 40 44.796 44.796 44.150 0.646 25919 12465 1 20 . 1 1 40 40 GLY H H 40 5.643 5.643 6.226 -0.584 25919 12466 1 20 . 1 1 41 41 GLU N N 41 123.519 123.519 119.549 3.970 25919 12467 1 20 . 1 1 41 41 GLU HA H 41 4.265 4.265 4.489 -0.224 25919 12468 1 20 . 1 1 41 41 GLU C C 41 176.231 176.231 174.699 1.532 25919 12469 1 20 . 1 1 41 41 GLU CA C 41 56.365 56.365 55.661 0.704 25919 12470 1 20 . 1 1 41 41 GLU CB C 41 31.077 31.077 31.480 -0.403 25919 12471 1 20 . 1 1 41 41 GLU H H 41 7.464 7.464 7.609 -0.145 25919 12472 1 20 . 1 1 42 42 LYS N N 42 124.405 124.405 123.854 0.551 25919 12473 1 20 . 1 1 42 42 LYS HA H 42 4.669 4.669 4.638 0.031 25919 12474 1 20 . 1 1 42 42 LYS C C 42 177.170 177.170 176.557 0.613 25919 12475 1 20 . 1 1 42 42 LYS CA C 42 55.750 55.750 55.655 0.095 25919 12476 1 20 . 1 1 42 42 LYS CB C 42 34.929 34.929 32.955 1.974 25919 12477 1 20 . 1 1 42 42 LYS H H 42 8.895 8.895 8.406 0.489 25919 12478 1 20 . 1 1 43 43 GLN N N 43 119.903 119.903 119.236 0.667 25919 12479 1 20 . 1 1 43 43 GLN HA H 43 4.541 4.541 4.253 0.288 25919 12480 1 20 . 1 1 43 43 GLN C C 43 177.260 177.260 176.756 0.504 25919 12481 1 20 . 1 1 43 43 GLN CA C 43 57.566 57.566 56.938 0.628 25919 12482 1 20 . 1 1 43 43 GLN CB C 43 30.620 30.620 29.164 1.456 25919 12483 1 20 . 1 1 43 43 GLN H H 43 8.459 8.459 8.177 0.282 25919 12484 1 20 . 1 1 44 44 LEU N N 44 121.272 121.272 122.067 -0.795 25919 12485 1 20 . 1 1 44 44 LEU HA H 44 4.726 4.726 4.511 0.215 25919 12486 1 20 . 1 1 44 44 LEU CA C 44 53.165 53.165 53.254 -0.089 25919 12487 1 20 . 1 1 44 44 LEU CB C 44 43.444 43.444 41.593 1.851 25919 12488 1 20 . 1 1 44 44 LEU H H 44 9.002 9.002 7.558 1.444 25919 12489 1 20 . 1 1 45 45 PRO HA H 45 4.722 4.722 4.373 0.349 25919 12490 1 20 . 1 1 45 45 PRO CA C 45 62.169 62.169 63.395 -1.226 25919 12491 1 20 . 1 1 45 45 PRO CB C 45 32.722 32.722 32.099 0.624 25919 12492 1 20 . 1 1 46 46 VAL N N 46 118.403 118.403 126.537 -8.134 25919 12493 1 20 . 1 1 46 46 VAL HA H 46 4.009 4.009 4.092 -0.083 25919 12494 1 20 . 1 1 46 46 VAL C C 46 173.416 173.416 175.030 -1.614 25919 12495 1 20 . 1 1 46 46 VAL CA C 46 62.413 62.413 61.336 1.077 25919 12496 1 20 . 1 1 46 46 VAL CB C 46 33.087 33.087 31.230 1.857 25919 12497 1 20 . 1 1 46 46 VAL H H 46 8.349 8.349 8.589 -0.240 25919 12498 1 20 . 1 1 47 47 LEU N N 47 128.653 128.653 121.968 6.685 25919 12499 1 20 . 1 1 47 47 LEU HA H 47 4.452 4.452 4.272 0.180 25919 12500 1 20 . 1 1 47 47 LEU CA C 47 54.758 54.758 54.983 -0.225 25919 12501 1 20 . 1 1 47 47 LEU CB C 47 44.076 44.076 42.355 1.720 25919 12502 1 20 . 1 1 47 47 LEU H H 47 8.064 8.064 7.659 0.405 25919 12503 1 20 . 1 1 48 48 ASP N N 48 121.042 121.042 117.273 3.769 25919 12504 1 20 . 1 1 48 48 ASP HA H 48 4.347 4.347 4.618 -0.271 25919 12505 1 20 . 1 1 48 48 ASP CA C 48 55.600 55.600 55.059 0.541 25919 12506 1 20 . 1 1 48 48 ASP CB C 48 40.407 40.407 40.523 -0.116 25919 12507 1 20 . 1 1 48 48 ASP H H 48 8.649 8.649 8.620 0.029 25919 12508 1 20 . 1 1 49 49 LYS N N 49 118.877 118.877 119.675 -0.798 25919 12509 1 20 . 1 1 49 49 LYS HA H 49 4.541 4.541 4.137 0.404 25919 12510 1 20 . 1 1 49 49 LYS C C 49 179.744 179.744 176.337 3.407 25919 12511 1 20 . 1 1 49 49 LYS CA C 49 54.099 54.099 56.662 -2.563 25919 12512 1 20 . 1 1 49 49 LYS CB C 49 35.378 35.378 30.980 4.398 25919 12513 1 20 . 1 1 49 49 LYS H H 49 7.287 7.287 8.075 -0.788 25919 12514 1 20 . 1 1 50 50 THR N N 50 114.691 114.691 111.660 3.031 25919 12515 1 20 . 1 1 50 50 THR HA H 50 4.628 4.628 4.695 -0.067 25919 12516 1 20 . 1 1 50 50 THR CA C 50 63.920 63.920 61.235 2.685 25919 12517 1 20 . 1 1 50 50 THR CB C 50 71.365 71.365 71.114 0.251 25919 12518 1 20 . 1 1 50 50 THR H H 50 8.064 8.064 7.995 0.069 25919 12519 1 20 . 1 1 51 51 LYS N N 51 120.273 120.273 120.743 -0.470 25919 12520 1 20 . 1 1 51 51 LYS HA H 51 4.570 4.570 4.387 0.183 25919 12521 1 20 . 1 1 51 51 LYS CA C 51 54.997 54.997 55.902 -0.905 25919 12522 1 20 . 1 1 51 51 LYS CB C 51 32.700 32.700 35.166 -2.466 25919 12523 1 20 . 1 1 51 51 LYS H H 51 7.192 7.192 7.117 0.075 25919 12524 1 20 . 1 1 52 52 PHE N N 52 121.816 121.816 119.998 1.818 25919 12525 1 20 . 1 1 52 52 PHE HA H 52 5.503 5.503 4.787 0.716 25919 12526 1 20 . 1 1 52 52 PHE CA C 52 56.104 56.104 56.725 -0.621 25919 12527 1 20 . 1 1 52 52 PHE CB C 52 43.188 43.188 43.530 -0.342 25919 12528 1 20 . 1 1 52 52 PHE H H 52 9.466 9.466 8.894 0.572 25919 12529 1 20 . 1 1 53 53 LEU N N 53 120.846 120.846 121.762 -0.916 25919 12530 1 20 . 1 1 53 53 LEU HA H 53 5.135 5.135 5.503 -0.368 25919 12531 1 20 . 1 1 53 53 LEU C C 53 175.042 175.042 175.760 -0.718 25919 12532 1 20 . 1 1 53 53 LEU CA C 53 52.916 52.916 53.300 -0.384 25919 12533 1 20 . 1 1 53 53 LEU CB C 53 45.242 45.242 45.362 -0.120 25919 12534 1 20 . 1 1 53 53 LEU H H 53 8.608 8.608 8.518 0.090 25919 12535 1 20 . 1 1 54 54 VAL N N 54 123.773 123.773 120.574 3.199 25919 12536 1 20 . 1 1 54 54 VAL HA H 54 4.755 4.755 4.568 0.187 25919 12537 1 20 . 1 1 54 54 VAL CA C 54 58.622 58.622 58.638 -0.015 25919 12538 1 20 . 1 1 54 54 VAL CB C 54 35.150 35.150 35.114 0.036 25919 12539 1 20 . 1 1 54 54 VAL H H 54 8.801 8.801 8.527 0.274 25919 12540 1 20 . 1 1 55 55 PRO HA H 55 4.435 4.435 4.846 -0.411 25919 12541 1 20 . 1 1 55 55 PRO C C 55 176.427 176.427 178.059 -1.632 25919 12542 1 20 . 1 1 55 55 PRO CA C 55 64.298 64.298 62.241 2.057 25919 12543 1 20 . 1 1 55 55 PRO CB C 55 32.822 32.822 32.356 0.466 25919 12544 1 20 . 1 1 56 56 ASP N N 56 121.214 121.214 123.282 -2.068 25919 12545 1 20 . 1 1 56 56 ASP HA H 56 3.880 3.880 4.197 -0.317 25919 12546 1 20 . 1 1 56 56 ASP CA C 56 56.742 56.742 57.469 -0.727 25919 12547 1 20 . 1 1 56 56 ASP CB C 56 40.481 40.481 39.953 0.528 25919 12548 1 20 . 1 1 56 56 ASP H H 56 8.336 8.336 8.671 -0.335 25919 12549 1 20 . 1 1 57 57 HIS N N 57 114.277 114.277 118.020 -3.743 25919 12550 1 20 . 1 1 57 57 HIS HA H 57 4.772 4.772 4.409 0.363 25919 12551 1 20 . 1 1 57 57 HIS C C 57 174.806 174.806 175.681 -0.875 25919 12552 1 20 . 1 1 57 57 HIS CA C 57 55.688 55.688 57.693 -2.005 25919 12553 1 20 . 1 1 57 57 HIS CB C 57 30.450 30.450 29.812 0.638 25919 12554 1 20 . 1 1 57 57 HIS H H 57 7.464 7.464 8.184 -0.720 25919 12555 1 20 . 1 1 58 58 VAL N N 58 123.531 123.531 120.971 2.560 25919 12556 1 20 . 1 1 58 58 VAL HA H 58 3.909 3.909 3.835 0.074 25919 12557 1 20 . 1 1 58 58 VAL C C 58 177.148 177.148 175.011 2.137 25919 12558 1 20 . 1 1 58 58 VAL CA C 58 62.900 62.900 63.263 -0.363 25919 12559 1 20 . 1 1 58 58 VAL CB C 58 32.320 32.320 32.191 0.128 25919 12560 1 20 . 1 1 58 58 VAL H H 58 7.261 7.261 7.779 -0.518 25919 12561 1 20 . 1 1 59 59 ASN N N 59 124.147 124.147 125.056 -0.909 25919 12562 1 20 . 1 1 59 59 ASN HA H 59 5.174 5.174 5.014 0.160 25919 12563 1 20 . 1 1 59 59 ASN C C 59 175.176 175.176 176.933 -1.757 25919 12564 1 20 . 1 1 59 59 ASN CA C 59 51.374 51.374 52.334 -0.960 25919 12565 1 20 . 1 1 59 59 ASN CB C 59 40.038 40.038 39.691 0.347 25919 12566 1 20 . 1 1 59 59 ASN H H 59 8.819 8.819 8.491 0.328 25919 12567 1 20 . 1 1 60 60 MET N N 60 117.583 117.583 120.682 -3.099 25919 12568 1 20 . 1 1 60 60 MET HA H 60 4.425 4.425 4.136 0.289 25919 12569 1 20 . 1 1 60 60 MET CA C 60 57.271 57.271 57.414 -0.143 25919 12570 1 20 . 1 1 60 60 MET CB C 60 30.063 30.063 31.542 -1.479 25919 12571 1 20 . 1 1 60 60 MET H H 60 8.023 8.023 8.300 -0.277 25919 12572 1 20 . 1 1 61 61 SER N N 61 115.027 115.027 114.897 0.130 25919 12573 1 20 . 1 1 61 61 SER HA H 61 4.138 4.138 4.046 0.092 25919 12574 1 20 . 1 1 61 61 SER C C 61 178.809 178.809 176.423 2.386 25919 12575 1 20 . 1 1 61 61 SER CA C 61 61.553 61.553 61.933 -0.380 25919 12576 1 20 . 1 1 61 61 SER CB C 61 62.581 62.581 62.563 0.018 25919 12577 1 20 . 1 1 61 61 SER H H 61 8.350 8.350 8.099 0.251 25919 12578 1 20 . 1 1 62 62 GLU N N 62 123.657 123.657 123.330 0.327 25919 12579 1 20 . 1 1 62 62 GLU HA H 62 3.979 3.979 4.067 -0.088 25919 12580 1 20 . 1 1 62 62 GLU C C 62 176.456 176.456 178.328 -1.872 25919 12581 1 20 . 1 1 62 62 GLU CA C 62 58.726 58.726 58.626 0.100 25919 12582 1 20 . 1 1 62 62 GLU CB C 62 29.700 29.700 29.197 0.503 25919 12583 1 20 . 1 1 62 62 GLU H H 62 7.994 7.994 7.890 0.104 25919 12584 1 20 . 1 1 63 63 LEU N N 63 121.225 121.225 121.015 0.210 25919 12585 1 20 . 1 1 63 63 LEU HA H 63 3.949 3.949 3.900 0.049 25919 12586 1 20 . 1 1 63 63 LEU C C 63 178.113 178.113 178.776 -0.663 25919 12587 1 20 . 1 1 63 63 LEU CA C 63 57.860 57.860 58.050 -0.190 25919 12588 1 20 . 1 1 63 63 LEU CB C 63 41.526 41.526 41.771 -0.245 25919 12589 1 20 . 1 1 63 63 LEU H H 63 8.223 8.223 8.144 0.079 25919 12590 1 20 . 1 1 64 64 ILE N N 64 119.273 119.273 119.174 0.099 25919 12591 1 20 . 1 1 64 64 ILE HA H 64 3.375 3.375 3.556 -0.181 25919 12592 1 20 . 1 1 64 64 ILE CA C 64 66.723 66.723 66.217 0.506 25919 12593 1 20 . 1 1 64 64 ILE CB C 64 38.161 38.161 37.772 0.389 25919 12594 1 20 . 1 1 64 64 ILE H H 64 8.301 8.301 8.593 -0.292 25919 12595 1 20 . 1 1 65 65 LYS N N 65 119.143 119.143 120.056 -0.913 25919 12596 1 20 . 1 1 65 65 LYS HA H 65 3.703 3.703 4.059 -0.356 25919 12597 1 20 . 1 1 65 65 LYS C C 65 173.869 173.869 179.106 -5.237 25919 12598 1 20 . 1 1 65 65 LYS CA C 65 60.451 60.451 59.321 1.130 25919 12599 1 20 . 1 1 65 65 LYS CB C 65 32.300 32.300 32.190 0.110 25919 12600 1 20 . 1 1 65 65 LYS H H 65 7.300 7.300 7.908 -0.608 25919 12601 1 20 . 1 1 66 66 ILE N N 66 120.527 120.527 122.045 -1.518 25919 12602 1 20 . 1 1 66 66 ILE HA H 66 3.541 3.541 3.752 -0.211 25919 12603 1 20 . 1 1 66 66 ILE C C 66 176.459 176.459 177.400 -0.941 25919 12604 1 20 . 1 1 66 66 ILE CA C 66 65.290 65.290 64.118 1.172 25919 12605 1 20 . 1 1 66 66 ILE CB C 66 38.254 38.254 37.790 0.464 25919 12606 1 20 . 1 1 66 66 ILE H H 66 8.048 8.048 8.085 -0.037 25919 12607 1 20 . 1 1 67 67 ILE N N 67 121.527 121.527 121.232 0.295 25919 12608 1 20 . 1 1 67 67 ILE HA H 67 3.336 3.336 3.538 -0.202 25919 12609 1 20 . 1 1 67 67 ILE C C 67 178.102 178.102 177.725 0.377 25919 12610 1 20 . 1 1 67 67 ILE CA C 67 63.952 63.952 65.519 -1.567 25919 12611 1 20 . 1 1 67 67 ILE CB C 67 35.891 35.891 37.510 -1.619 25919 12612 1 20 . 1 1 67 67 ILE H H 67 8.308 8.308 7.948 0.360 25919 12613 1 20 . 1 1 68 68 ARG N N 68 119.384 119.384 119.713 -0.329 25919 12614 1 20 . 1 1 68 68 ARG HA H 68 2.970 2.970 3.682 -0.712 25919 12615 1 20 . 1 1 68 68 ARG C C 68 172.723 172.723 178.386 -5.663 25919 12616 1 20 . 1 1 68 68 ARG CA C 68 60.704 60.704 58.932 1.772 25919 12617 1 20 . 1 1 68 68 ARG CB C 68 30.320 30.320 29.768 0.552 25919 12618 1 20 . 1 1 68 68 ARG H H 68 8.336 8.336 8.441 -0.105 25919 12619 1 20 . 1 1 69 69 ARG N N 69 117.648 117.648 118.085 -0.437 25919 12620 1 20 . 1 1 69 69 ARG HA H 69 4.138 4.138 4.134 0.004 25919 12621 1 20 . 1 1 69 69 ARG C C 69 172.480 172.480 178.545 -6.065 25919 12622 1 20 . 1 1 69 69 ARG CA C 69 58.645 58.645 57.447 1.198 25919 12623 1 20 . 1 1 69 69 ARG CB C 69 29.779 29.779 29.822 -0.043 25919 12624 1 20 . 1 1 69 69 ARG H H 69 7.432 7.432 7.895 -0.463 25919 12625 1 20 . 1 1 70 70 ARG N N 70 124.006 124.006 119.168 4.838 25919 12626 1 20 . 1 1 70 70 ARG HA H 70 4.074 4.074 4.203 -0.129 25919 12627 1 20 . 1 1 70 70 ARG C C 70 178.799 178.799 177.312 1.487 25919 12628 1 20 . 1 1 70 70 ARG CA C 70 58.385 58.385 57.494 0.891 25919 12629 1 20 . 1 1 70 70 ARG CB C 70 30.043 30.043 30.453 -0.411 25919 12630 1 20 . 1 1 70 70 ARG H H 70 8.212 8.212 8.079 0.133 25919 12631 1 20 . 1 1 71 71 LEU N N 71 117.764 117.764 119.338 -1.574 25919 12632 1 20 . 1 1 71 71 LEU HA H 71 4.085 4.085 4.354 -0.269 25919 12633 1 20 . 1 1 71 71 LEU CA C 71 55.063 55.063 53.863 1.200 25919 12634 1 20 . 1 1 71 71 LEU CB C 71 43.100 43.100 42.757 0.343 25919 12635 1 20 . 1 1 71 71 LEU H H 71 7.750 7.750 8.004 -0.254 25919 12636 1 20 . 1 1 72 72 GLN N N 72 115.522 115.522 120.842 -5.320 25919 12637 1 20 . 1 1 72 72 GLN HA H 72 3.839 3.839 4.167 -0.328 25919 12638 1 20 . 1 1 72 72 GLN C C 72 175.744 175.744 174.889 0.855 25919 12639 1 20 . 1 1 72 72 GLN CA C 72 56.409 56.409 55.891 0.518 25919 12640 1 20 . 1 1 72 72 GLN CB C 72 25.959 25.959 26.690 -0.731 25919 12641 1 20 . 1 1 72 72 GLN H H 72 7.751 7.751 8.566 -0.815 25919 12642 1 20 . 1 1 73 73 LEU N N 73 115.900 115.900 121.413 -5.513 25919 12643 1 20 . 1 1 73 73 LEU HA H 73 4.254 4.254 4.350 -0.096 25919 12644 1 20 . 1 1 73 73 LEU C C 73 178.568 178.568 175.827 2.741 25919 12645 1 20 . 1 1 73 73 LEU CA C 73 54.468 54.468 54.157 0.310 25919 12646 1 20 . 1 1 73 73 LEU CB C 73 42.050 42.050 42.938 -0.888 25919 12647 1 20 . 1 1 73 73 LEU H H 73 7.573 7.573 7.707 -0.134 25919 12648 1 20 . 1 1 74 74 ASN N N 74 122.154 122.154 120.149 2.005 25919 12649 1 20 . 1 1 74 74 ASN HA H 74 4.684 4.684 4.759 -0.075 25919 12650 1 20 . 1 1 74 74 ASN C C 74 174.122 174.122 175.663 -1.541 25919 12651 1 20 . 1 1 74 74 ASN CA C 74 52.724 52.724 52.688 0.036 25919 12652 1 20 . 1 1 74 74 ASN CB C 74 39.579 39.579 41.871 -2.292 25919 12653 1 20 . 1 1 74 74 ASN H H 74 8.949 8.949 8.395 0.554 25919 12654 1 20 . 1 1 75 75 ALA N N 75 124.274 124.274 125.514 -1.240 25919 12655 1 20 . 1 1 75 75 ALA HA H 75 3.972 3.972 4.191 -0.219 25919 12656 1 20 . 1 1 75 75 ALA C C 75 178.113 178.113 178.221 -0.108 25919 12657 1 20 . 1 1 75 75 ALA CA C 75 54.900 54.900 54.242 0.658 25919 12658 1 20 . 1 1 75 75 ALA CB C 75 18.708 18.708 18.848 -0.140 25919 12659 1 20 . 1 1 75 75 ALA H H 75 8.690 8.690 8.750 -0.060 25919 12660 1 20 . 1 1 76 76 ASN N N 76 112.911 112.911 115.424 -2.513 25919 12661 1 20 . 1 1 76 76 ASN HA H 76 4.589 4.589 4.610 -0.021 25919 12662 1 20 . 1 1 76 76 ASN C C 76 175.515 175.515 175.859 -0.344 25919 12663 1 20 . 1 1 76 76 ASN CA C 76 53.276 53.276 54.379 -1.103 25919 12664 1 20 . 1 1 76 76 ASN CB C 76 38.343 38.343 38.910 -0.567 25919 12665 1 20 . 1 1 76 76 ASN H H 76 8.340 8.340 8.358 -0.018 25919 12666 1 20 . 1 1 77 77 GLN N N 77 121.144 121.144 119.226 1.918 25919 12667 1 20 . 1 1 77 77 GLN HA H 77 4.287 4.287 4.480 -0.193 25919 12668 1 20 . 1 1 77 77 GLN C C 77 175.053 175.053 175.340 -0.287 25919 12669 1 20 . 1 1 77 77 GLN CA C 77 55.856 55.856 54.664 1.192 25919 12670 1 20 . 1 1 77 77 GLN CB C 77 30.320 30.320 29.366 0.955 25919 12671 1 20 . 1 1 77 77 GLN H H 77 7.546 7.546 7.720 -0.174 25919 12672 1 20 . 1 1 78 78 ALA N N 78 131.146 131.146 125.874 5.272 25919 12673 1 20 . 1 1 78 78 ALA HA H 78 4.179 4.179 4.293 -0.114 25919 12674 1 20 . 1 1 78 78 ALA C C 78 176.453 176.453 176.107 0.346 25919 12675 1 20 . 1 1 78 78 ALA CA C 78 52.852 52.852 52.195 0.657 25919 12676 1 20 . 1 1 78 78 ALA CB C 78 20.074 20.074 19.189 0.885 25919 12677 1 20 . 1 1 78 78 ALA H H 78 8.730 8.730 8.483 0.247 25919 12678 1 20 . 1 1 79 79 PHE N N 79 119.860 119.860 124.247 -4.387 25919 12679 1 20 . 1 1 79 79 PHE HA H 79 4.453 4.453 5.298 -0.845 25919 12680 1 20 . 1 1 79 79 PHE C C 79 171.834 171.834 172.973 -1.139 25919 12681 1 20 . 1 1 79 79 PHE CA C 79 59.115 59.115 56.879 2.236 25919 12682 1 20 . 1 1 79 79 PHE CB C 79 42.246 42.246 42.305 -0.059 25919 12683 1 20 . 1 1 79 79 PHE H H 79 7.601 7.601 8.122 -0.521 25919 12684 1 20 . 1 1 80 80 PHE N N 80 126.800 126.800 124.185 2.615 25919 12685 1 20 . 1 1 80 80 PHE HA H 80 4.396 4.396 4.216 0.180 25919 12686 1 20 . 1 1 80 80 PHE C C 80 173.169 173.169 173.040 0.129 25919 12687 1 20 . 1 1 80 80 PHE CA C 80 56.859 56.859 56.322 0.537 25919 12688 1 20 . 1 1 80 80 PHE CB C 80 41.946 41.946 42.669 -0.723 25919 12689 1 20 . 1 1 80 80 PHE H H 80 8.504 8.504 8.573 -0.069 25919 12690 1 20 . 1 1 81 81 LEU N N 81 122.590 122.590 124.731 -2.141 25919 12691 1 20 . 1 1 81 81 LEU HA H 81 4.902 4.902 4.996 -0.094 25919 12692 1 20 . 1 1 81 81 LEU CA C 81 53.108 53.108 53.955 -0.847 25919 12693 1 20 . 1 1 81 81 LEU CB C 81 45.781 45.781 43.560 2.221 25919 12694 1 20 . 1 1 81 81 LEU H H 81 8.159 8.159 8.174 -0.015 25919 12695 1 20 . 1 1 82 82 LEU N N 82 126.414 126.414 125.759 0.655 25919 12696 1 20 . 1 1 82 82 LEU HA H 82 4.807 4.807 5.229 -0.422 25919 12697 1 20 . 1 1 82 82 LEU C C 82 174.204 174.204 175.286 -1.082 25919 12698 1 20 . 1 1 82 82 LEU CA C 82 54.200 54.200 53.149 1.051 25919 12699 1 20 . 1 1 82 82 LEU CB C 82 43.650 43.650 45.313 -1.663 25919 12700 1 20 . 1 1 82 82 LEU H H 82 9.347 9.347 9.232 0.115 25919 12701 1 20 . 1 1 83 83 VAL N N 83 123.910 123.910 121.732 2.178 25919 12702 1 20 . 1 1 83 83 VAL HA H 83 4.466 4.466 4.661 -0.195 25919 12703 1 20 . 1 1 83 83 VAL C C 83 175.891 175.891 175.831 0.060 25919 12704 1 20 . 1 1 83 83 VAL CA C 83 61.339 61.339 60.696 0.643 25919 12705 1 20 . 1 1 83 83 VAL CB C 83 34.013 34.013 33.939 0.074 25919 12706 1 20 . 1 1 83 83 VAL H H 83 8.676 8.676 8.967 -0.291 25919 12707 1 20 . 1 1 84 84 ASN N N 84 127.149 127.149 129.626 -2.477 25919 12708 1 20 . 1 1 84 84 ASN HA H 84 4.384 4.384 4.306 0.078 25919 12709 1 20 . 1 1 84 84 ASN CA C 84 54.494 54.494 54.147 0.347 25919 12710 1 20 . 1 1 84 84 ASN CB C 84 37.933 37.933 36.500 1.433 25919 12711 1 20 . 1 1 84 84 ASN H H 84 9.630 9.630 9.362 0.268 25919 12712 1 20 . 1 1 85 85 GLY N N 85 101.905 101.905 102.642 -0.737 25919 12713 1 20 . 1 1 85 85 GLY C C 85 175.112 175.112 174.249 0.863 25919 12714 1 20 . 1 1 85 85 GLY CA C 85 45.624 45.624 45.393 0.231 25919 12715 1 20 . 1 1 85 85 GLY H H 85 8.670 8.670 8.453 0.217 25919 12716 1 20 . 1 1 86 86 HIS N N 86 117.905 117.905 120.382 -2.477 25919 12717 1 20 . 1 1 86 86 HIS HA H 86 5.039 5.039 4.710 0.329 25919 12718 1 20 . 1 1 86 86 HIS CA C 86 53.890 53.890 53.847 0.043 25919 12719 1 20 . 1 1 86 86 HIS CB C 86 30.888 30.888 30.528 0.360 25919 12720 1 20 . 1 1 86 86 HIS H H 86 7.927 7.927 8.026 -0.099 25919 12721 1 20 . 1 1 87 87 SER N N 87 118.646 118.646 120.775 -2.129 25919 12722 1 20 . 1 1 87 87 SER HA H 87 4.397 4.397 4.288 0.109 25919 12723 1 20 . 1 1 87 87 SER C C 87 175.275 175.275 174.182 1.093 25919 12724 1 20 . 1 1 87 87 SER CA C 87 58.414 58.414 59.916 -1.502 25919 12725 1 20 . 1 1 87 87 SER CB C 87 63.772 63.772 63.459 0.313 25919 12726 1 20 . 1 1 87 87 SER H H 87 8.927 8.927 9.005 -0.078 25919 12727 1 20 . 1 1 88 88 MET N N 88 126.013 126.013 124.439 1.574 25919 12728 1 20 . 1 1 88 88 MET HA H 88 4.851 4.851 4.710 0.141 25919 12729 1 20 . 1 1 88 88 MET C C 88 178.796 178.796 177.580 1.216 25919 12730 1 20 . 1 1 88 88 MET CA C 88 54.727 54.727 54.584 0.143 25919 12731 1 20 . 1 1 88 88 MET CB C 88 33.309 33.309 33.259 0.050 25919 12732 1 20 . 1 1 88 88 MET H H 88 9.088 9.088 8.428 0.660 25919 12733 1 20 . 1 1 89 89 VAL N N 89 121.153 121.153 118.969 2.184 25919 12734 1 20 . 1 1 89 89 VAL HA H 89 4.057 4.057 3.872 0.185 25919 12735 1 20 . 1 1 89 89 VAL C C 89 176.695 176.695 176.008 0.687 25919 12736 1 20 . 1 1 89 89 VAL CA C 89 63.592 63.592 64.899 -1.307 25919 12737 1 20 . 1 1 89 89 VAL CB C 89 32.422 32.422 31.160 1.262 25919 12738 1 20 . 1 1 89 89 VAL H H 89 8.144 8.144 8.271 -0.127 25919 12739 1 20 . 1 1 90 90 SER N N 90 116.778 116.778 113.203 3.575 25919 12740 1 20 . 1 1 90 90 SER HA H 90 4.561 4.561 4.475 0.086 25919 12741 1 20 . 1 1 90 90 SER C C 90 173.898 173.898 174.641 -0.743 25919 12742 1 20 . 1 1 90 90 SER CA C 90 57.895 57.895 58.099 -0.204 25919 12743 1 20 . 1 1 90 90 SER CB C 90 63.133 63.133 63.164 -0.031 25919 12744 1 20 . 1 1 90 90 SER H H 90 8.322 8.322 7.818 0.504 25919 12745 1 20 . 1 1 91 91 VAL N N 91 120.735 120.735 124.994 -4.259 25919 12746 1 20 . 1 1 91 91 VAL HA H 91 4.286 4.286 4.119 0.167 25919 12747 1 20 . 1 1 91 91 VAL CA C 91 62.846 62.846 62.370 0.476 25919 12748 1 20 . 1 1 91 91 VAL CB C 91 32.069 32.069 31.070 0.999 25919 12749 1 20 . 1 1 91 91 VAL H H 91 8.036 8.036 7.640 0.396 25919 12750 1 20 . 1 1 92 92 SER N N 92 118.146 118.146 122.000 -3.854 25919 12751 1 20 . 1 1 92 92 SER HA H 92 4.549 4.549 4.412 0.137 25919 12752 1 20 . 1 1 92 92 SER CA C 92 57.813 57.813 58.857 -1.044 25919 12753 1 20 . 1 1 92 92 SER CB C 92 63.488 63.488 63.320 0.168 25919 12754 1 20 . 1 1 92 92 SER H H 92 8.470 8.470 8.225 0.245 25919 12755 1 20 . 1 1 93 93 THR N N 93 119.747 119.747 119.718 0.029 25919 12756 1 20 . 1 1 93 93 THR HA H 93 4.467 4.467 4.393 0.074 25919 12757 1 20 . 1 1 93 93 THR CA C 93 61.005 61.005 61.488 -0.483 25919 12758 1 20 . 1 1 93 93 THR CB C 93 70.592 70.592 68.370 2.222 25919 12759 1 20 . 1 1 93 93 THR H H 93 7.382 7.382 7.689 -0.307 25919 12760 1 20 . 1 1 94 94 PRO HA H 94 4.424 4.424 4.586 -0.162 25919 12761 1 20 . 1 1 94 94 PRO CA C 94 63.060 63.060 62.901 0.159 25919 12762 1 20 . 1 1 94 94 PRO CB C 94 32.798 32.798 32.404 0.394 25919 12763 1 20 . 1 1 95 95 ILE N N 95 124.894 124.894 122.718 2.176 25919 12764 1 20 . 1 1 95 95 ILE HA H 95 3.984 3.984 3.851 0.133 25919 12765 1 20 . 1 1 95 95 ILE CA C 95 63.963 63.963 62.276 1.687 25919 12766 1 20 . 1 1 95 95 ILE CB C 95 38.200 38.200 38.192 0.008 25919 12767 1 20 . 1 1 95 95 ILE H H 95 9.358 9.358 8.568 0.790 25919 12768 1 20 . 1 1 96 96 SER N N 96 117.523 117.523 116.214 1.309 25919 12769 1 20 . 1 1 96 96 SER HA H 96 4.004 4.004 4.158 -0.154 25919 12770 1 20 . 1 1 96 96 SER CA C 96 61.700 61.700 61.927 -0.227 25919 12771 1 20 . 1 1 96 96 SER CB C 96 61.400 61.400 62.686 -1.286 25919 12772 1 20 . 1 1 96 96 SER H H 96 8.202 8.202 8.061 0.141 25919 12773 1 20 . 1 1 97 97 GLU N N 97 123.657 123.657 121.738 1.919 25919 12774 1 20 . 1 1 97 97 GLU HA H 97 4.282 4.282 4.192 0.090 25919 12775 1 20 . 1 1 97 97 GLU CA C 97 58.700 58.700 58.495 0.205 25919 12776 1 20 . 1 1 97 97 GLU CB C 97 29.800 29.800 29.249 0.551 25919 12777 1 20 . 1 1 97 97 GLU H H 97 7.301 7.301 7.615 -0.314 25919 12778 1 20 . 1 1 98 98 VAL N N 98 121.907 121.907 120.013 1.894 25919 12779 1 20 . 1 1 98 98 VAL HA H 98 3.797 3.797 3.709 0.088 25919 12780 1 20 . 1 1 98 98 VAL CA C 98 65.949 65.949 65.895 0.054 25919 12781 1 20 . 1 1 98 98 VAL CB C 98 32.186 32.186 31.060 1.126 25919 12782 1 20 . 1 1 98 98 VAL H H 98 7.410 7.410 7.404 0.006 25919 12783 1 20 . 1 1 99 99 TYR N N 99 119.526 119.526 121.788 -2.262 25919 12784 1 20 . 1 1 99 99 TYR HA H 99 4.016 4.016 3.956 0.060 25919 12785 1 20 . 1 1 99 99 TYR C C 99 175.741 175.741 177.369 -1.628 25919 12786 1 20 . 1 1 99 99 TYR CA C 99 62.229 62.229 62.213 0.016 25919 12787 1 20 . 1 1 99 99 TYR CB C 99 38.967 38.967 38.199 0.768 25919 12788 1 20 . 1 1 99 99 TYR H H 99 9.071 9.071 8.712 0.359 25919 12789 1 20 . 1 1 100 100 GLU N N 100 114.405 114.405 117.580 -3.175 25919 12790 1 20 . 1 1 100 100 GLU HA H 100 3.850 3.850 3.610 0.240 25919 12791 1 20 . 1 1 100 100 GLU C C 100 178.094 178.094 177.906 0.188 25919 12792 1 20 . 1 1 100 100 GLU CA C 100 58.920 58.920 58.018 0.902 25919 12793 1 20 . 1 1 100 100 GLU CB C 100 29.481 29.481 28.986 0.495 25919 12794 1 20 . 1 1 100 100 GLU H H 100 7.342 7.342 7.923 -0.581 25919 12795 1 20 . 1 1 101 101 SER N N 101 109.656 109.656 113.708 -4.052 25919 12796 1 20 . 1 1 101 101 SER HA H 101 4.529 4.529 4.352 0.177 25919 12797 1 20 . 1 1 101 101 SER C C 101 176.681 176.681 175.461 1.220 25919 12798 1 20 . 1 1 101 101 SER CA C 101 60.313 60.313 60.441 -0.128 25919 12799 1 20 . 1 1 101 101 SER CB C 101 64.703 64.703 63.779 0.924 25919 12800 1 20 . 1 1 101 101 SER H H 101 7.410 7.410 7.708 -0.298 25919 12801 1 20 . 1 1 102 102 GLU N N 102 117.283 117.283 117.985 -0.702 25919 12802 1 20 . 1 1 102 102 GLU HA H 102 4.721 4.721 4.575 0.146 25919 12803 1 20 . 1 1 102 102 GLU CA C 102 55.592 55.592 55.666 -0.074 25919 12804 1 20 . 1 1 102 102 GLU CB C 102 30.564 30.564 31.193 -0.629 25919 12805 1 20 . 1 1 102 102 GLU H H 102 8.500 8.500 7.635 0.865 25919 12806 1 20 . 1 1 103 103 LYS N N 103 118.772 118.772 121.644 -2.872 25919 12807 1 20 . 1 1 103 103 LYS HA H 103 4.179 4.179 4.175 0.004 25919 12808 1 20 . 1 1 103 103 LYS C C 103 175.032 175.032 176.535 -1.503 25919 12809 1 20 . 1 1 103 103 LYS CA C 103 57.154 57.154 57.509 -0.355 25919 12810 1 20 . 1 1 103 103 LYS CB C 103 32.238 32.238 32.548 -0.311 25919 12811 1 20 . 1 1 103 103 LYS H H 103 7.777 7.777 7.813 -0.036 25919 12812 1 20 . 1 1 104 104 ASP N N 104 124.024 124.024 127.408 -3.384 25919 12813 1 20 . 1 1 104 104 ASP HA H 104 5.032 5.032 4.819 0.212 25919 12814 1 20 . 1 1 104 104 ASP C C 104 177.548 177.548 178.222 -0.674 25919 12815 1 20 . 1 1 104 104 ASP CA C 104 53.882 53.882 52.833 1.049 25919 12816 1 20 . 1 1 104 104 ASP CB C 104 43.420 43.420 43.137 0.283 25919 12817 1 20 . 1 1 104 104 ASP H H 104 9.030 9.030 8.936 0.094 25919 12818 1 20 . 1 1 105 105 GLU N N 105 125.669 125.669 121.629 4.040 25919 12819 1 20 . 1 1 105 105 GLU HA H 105 4.179 4.179 4.140 0.039 25919 12820 1 20 . 1 1 105 105 GLU CA C 105 59.526 59.526 59.468 0.058 25919 12821 1 20 . 1 1 105 105 GLU CB C 105 30.036 30.036 29.532 0.503 25919 12822 1 20 . 1 1 105 105 GLU H H 105 8.894 8.894 9.005 -0.111 25919 12823 1 20 . 1 1 106 106 ASP N N 106 119.257 119.257 115.101 4.156 25919 12824 1 20 . 1 1 106 106 ASP HA H 106 4.180 4.180 4.514 -0.334 25919 12825 1 20 . 1 1 106 106 ASP C C 106 176.018 176.018 177.082 -1.064 25919 12826 1 20 . 1 1 106 106 ASP CA C 106 54.750 54.750 53.734 1.016 25919 12827 1 20 . 1 1 106 106 ASP CB C 106 40.250 40.250 39.918 0.332 25919 12828 1 20 . 1 1 106 106 ASP H H 106 9.838 9.838 8.095 1.743 25919 12829 1 20 . 1 1 107 107 GLY N N 107 106.307 106.307 107.221 -0.914 25919 12830 1 20 . 1 1 107 107 GLY CA C 107 45.125 45.125 45.222 -0.097 25919 12831 1 20 . 1 1 107 107 GLY H H 107 7.945 7.945 8.030 -0.085 25919 12832 1 20 . 1 1 108 108 PHE N N 108 124.389 124.389 120.595 3.794 25919 12833 1 20 . 1 1 108 108 PHE HA H 108 4.670 4.670 4.515 0.155 25919 12834 1 20 . 1 1 108 108 PHE C C 108 179.501 179.501 175.024 4.477 25919 12835 1 20 . 1 1 108 108 PHE CA C 108 60.288 60.288 59.790 0.498 25919 12836 1 20 . 1 1 108 108 PHE CB C 108 40.506 40.506 40.198 0.308 25919 12837 1 20 . 1 1 108 108 PHE H H 108 9.739 9.739 8.138 1.601 25919 12838 1 20 . 1 1 109 109 LEU N N 109 120.814 120.814 122.874 -2.060 25919 12839 1 20 . 1 1 109 109 LEU HA H 109 5.038 5.038 4.927 0.111 25919 12840 1 20 . 1 1 109 109 LEU CA C 109 53.479 53.479 53.589 -0.110 25919 12841 1 20 . 1 1 109 109 LEU CB C 109 45.197 45.197 43.667 1.530 25919 12842 1 20 . 1 1 109 109 LEU H H 109 7.968 7.968 8.701 -0.733 25919 12843 1 20 . 1 1 110 110 TYR N N 110 127.403 127.403 126.929 0.474 25919 12844 1 20 . 1 1 110 110 TYR HA H 110 4.907 4.907 4.511 0.396 25919 12845 1 20 . 1 1 110 110 TYR CA C 110 59.259 59.259 59.560 -0.302 25919 12846 1 20 . 1 1 110 110 TYR CB C 110 39.469 39.469 38.991 0.478 25919 12847 1 20 . 1 1 110 110 TYR H H 110 9.349 9.349 9.040 0.309 25919 12848 1 20 . 1 1 111 111 MET N N 111 120.344 120.344 121.948 -1.604 25919 12849 1 20 . 1 1 111 111 MET HA H 111 5.543 5.543 5.431 0.112 25919 12850 1 20 . 1 1 111 111 MET CA C 111 54.341 54.341 54.589 -0.248 25919 12851 1 20 . 1 1 111 111 MET CB C 111 36.894 36.894 36.668 0.226 25919 12852 1 20 . 1 1 111 111 MET H H 111 9.575 9.575 8.777 0.798 25919 12853 1 20 . 1 1 112 112 VAL N N 112 121.026 121.026 120.577 0.449 25919 12854 1 20 . 1 1 112 112 VAL HA H 112 5.938 5.938 5.324 0.614 25919 12855 1 20 . 1 1 112 112 VAL C C 112 176.696 176.696 174.660 2.036 25919 12856 1 20 . 1 1 112 112 VAL CA C 112 59.068 59.068 60.752 -1.684 25919 12857 1 20 . 1 1 112 112 VAL CB C 112 36.180 36.180 35.676 0.504 25919 12858 1 20 . 1 1 112 112 VAL H H 112 8.730 8.730 8.975 -0.245 25919 12859 1 20 . 1 1 113 113 TYR N N 113 119.995 119.995 122.538 -2.543 25919 12860 1 20 . 1 1 113 113 TYR HA H 113 6.143 6.143 5.913 0.230 25919 12861 1 20 . 1 1 113 113 TYR C C 113 173.533 173.533 173.522 0.011 25919 12862 1 20 . 1 1 113 113 TYR CA C 113 54.165 54.165 54.852 -0.687 25919 12863 1 20 . 1 1 113 113 TYR CB C 113 43.667 43.667 42.248 1.419 25919 12864 1 20 . 1 1 113 113 TYR H H 113 8.172 8.172 9.166 -0.994 25919 12865 1 20 . 1 1 114 114 ALA N N 114 120.454 120.454 122.726 -2.272 25919 12866 1 20 . 1 1 114 114 ALA HA H 114 4.750 4.750 4.989 -0.239 25919 12867 1 20 . 1 1 114 114 ALA C C 114 176.007 176.007 176.117 -0.110 25919 12868 1 20 . 1 1 114 114 ALA CA C 114 51.356 51.356 51.809 -0.453 25919 12869 1 20 . 1 1 114 114 ALA CB C 114 24.623 24.623 21.465 3.158 25919 12870 1 20 . 1 1 114 114 ALA H H 114 8.499 8.499 8.766 -0.267 25919 12871 1 20 . 1 1 115 115 SER N N 115 115.279 115.279 116.166 -0.887 25919 12872 1 20 . 1 1 115 115 SER HA H 115 4.505 4.505 4.704 -0.199 25919 12873 1 20 . 1 1 115 115 SER C C 115 172.860 172.860 175.044 -2.184 25919 12874 1 20 . 1 1 115 115 SER CA C 115 58.837 58.837 60.458 -1.621 25919 12875 1 20 . 1 1 115 115 SER CB C 115 63.798 63.798 63.519 0.279 25919 12876 1 20 . 1 1 115 115 SER H H 115 9.823 9.823 9.193 0.630 25919 12877 1 20 . 1 1 116 116 GLN N N 116 117.398 117.398 117.825 -0.427 25919 12878 1 20 . 1 1 116 116 GLN HA H 116 4.453 4.453 4.559 -0.106 25919 12879 1 20 . 1 1 116 116 GLN C C 116 173.181 173.181 174.364 -1.183 25919 12880 1 20 . 1 1 116 116 GLN CA C 116 54.024 54.024 54.564 -0.540 25919 12881 1 20 . 1 1 116 116 GLN CB C 116 32.179 32.179 30.721 1.458 25919 12882 1 20 . 1 1 116 116 GLN H H 116 7.165 7.165 7.620 -0.455 25919 12883 1 20 . 1 1 117 117 GLU N N 117 118.885 118.885 119.356 -0.471 25919 12884 1 20 . 1 1 117 117 GLU HA H 117 3.224 3.224 4.094 -0.870 25919 12885 1 20 . 1 1 117 117 GLU C C 117 175.451 175.451 175.876 -0.425 25919 12886 1 20 . 1 1 117 117 GLU CA C 117 56.917 56.917 57.505 -0.588 25919 12887 1 20 . 1 1 117 117 GLU CB C 117 30.206 30.206 29.518 0.688 25919 12888 1 20 . 1 1 117 117 GLU H H 117 7.873 7.873 8.590 -0.717 25919 12889 1 20 . 1 1 118 118 THR N N 118 110.883 110.883 113.102 -2.219 25919 12890 1 20 . 1 1 118 118 THR HA H 118 4.074 4.074 3.855 0.219 25919 12891 1 20 . 1 1 118 118 THR C C 118 173.234 173.234 173.487 -0.253 25919 12892 1 20 . 1 1 118 118 THR CA C 118 60.300 60.300 61.811 -1.511 25919 12893 1 20 . 1 1 118 118 THR CB C 118 70.118 70.118 69.214 0.904 25919 12894 1 20 . 1 1 118 118 THR H H 118 6.988 6.988 7.410 -0.422 25919 12895 1 20 . 1 1 119 119 PHE N N 119 122.773 122.773 115.862 6.911 25919 12896 1 20 . 1 1 119 119 PHE HA H 119 4.397 4.397 4.536 -0.139 25919 12897 1 20 . 1 1 119 119 PHE C C 119 175.045 175.045 175.003 0.042 25919 12898 1 20 . 1 1 119 119 PHE CA C 119 56.810 56.810 56.062 0.748 25919 12899 1 20 . 1 1 119 119 PHE CB C 119 39.349 39.349 40.442 -1.093 25919 12900 1 20 . 1 1 119 119 PHE H H 119 8.122 8.122 7.549 0.573 25919 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 112 2.545 0.008 2.557 25919 2 1 1 "Average Difference" HA 121 0.306 -0.038 0.305 25919 3 1 1 "Average Difference" C 73 1.980 0.612 1.896 25919 4 1 1 "Average Difference" CA 118 1.273 0.121 1.273 25919 5 1 1 "Average Difference" CB 115 1.482 -0.519 1.394 25919 6 1 1 "Average Difference" HN 112 0.574 -0.045 0.574 25919 7 1 2 "Average Difference" N 112 2.982 -0.179 2.990 25919 8 1 2 "Average Difference" HA 121 0.294 0.006 0.295 25919 9 1 2 "Average Difference" C 73 2.026 0.531 1.968 25919 10 1 2 "Average Difference" CA 118 1.187 -0.003 1.192 25919 11 1 2 "Average Difference" CB 115 1.367 -0.373 1.321 25919 12 1 2 "Average Difference" HN 112 0.561 -0.024 0.563 25919 13 1 3 "Average Difference" N 112 2.831 -0.367 2.820 25919 14 1 3 "Average Difference" HA 121 0.304 -0.014 0.305 25919 15 1 3 "Average Difference" C 73 2.024 0.469 1.983 25919 16 1 3 "Average Difference" CA 118 1.237 0.112 1.237 25919 17 1 3 "Average Difference" CB 115 1.334 -0.383 1.283 25919 18 1 3 "Average Difference" HN 112 0.492 -0.047 0.492 25919 19 1 4 "Average Difference" N 112 3.088 0.056 3.101 25919 20 1 4 "Average Difference" HA 121 0.350 -0.015 0.351 25919 21 1 4 "Average Difference" C 73 1.956 0.604 1.874 25919 22 1 4 "Average Difference" CA 118 1.123 0.079 1.125 25919 23 1 4 "Average Difference" CB 115 1.352 -0.383 1.302 25919 24 1 4 "Average Difference" HN 112 0.497 -0.050 0.497 25919 25 1 5 "Average Difference" N 112 3.065 -0.164 3.074 25919 26 1 5 "Average Difference" HA 121 0.304 -0.012 0.305 25919 27 1 5 "Average Difference" C 73 1.935 0.547 1.869 25919 28 1 5 "Average Difference" CA 118 1.113 0.050 1.116 25919 29 1 5 "Average Difference" CB 115 1.295 -0.385 1.242 25919 30 1 5 "Average Difference" HN 112 0.532 -0.021 0.534 25919 31 1 6 "Average Difference" N 112 3.364 0.236 3.371 25919 32 1 6 "Average Difference" HA 121 0.355 -0.001 0.356 25919 33 1 6 "Average Difference" C 73 2.071 0.624 1.989 25919 34 1 6 "Average Difference" CA 118 1.217 0.049 1.221 25919 35 1 6 "Average Difference" CB 115 1.485 -0.435 1.426 25919 36 1 6 "Average Difference" HN 112 0.531 -0.014 0.533 25919 37 1 7 "Average Difference" N 112 2.527 0.127 2.535 25919 38 1 7 "Average Difference" HA 121 0.284 -0.024 0.284 25919 39 1 7 "Average Difference" C 73 2.012 0.622 1.927 25919 40 1 7 "Average Difference" CA 118 1.092 0.083 1.094 25919 41 1 7 "Average Difference" CB 115 1.240 -0.466 1.155 25919 42 1 7 "Average Difference" HN 112 0.529 -0.046 0.529 25919 43 1 8 "Average Difference" N 112 3.225 0.206 3.233 25919 44 1 8 "Average Difference" HA 121 0.326 -0.003 0.328 25919 45 1 8 "Average Difference" C 73 2.197 0.553 2.141 25919 46 1 8 "Average Difference" CA 118 1.320 0.104 1.321 25919 47 1 8 "Average Difference" CB 115 1.345 -0.297 1.318 25919 48 1 8 "Average Difference" HN 112 0.578 -0.043 0.579 25919 49 1 9 "Average Difference" N 112 2.765 -0.111 2.775 25919 50 1 9 "Average Difference" HA 121 0.281 -0.015 0.282 25919 51 1 9 "Average Difference" C 73 2.031 0.622 1.947 25919 52 1 9 "Average Difference" CA 118 1.149 0.101 1.150 25919 53 1 9 "Average Difference" CB 115 1.204 -0.373 1.149 25919 54 1 9 "Average Difference" HN 112 0.474 0.008 0.476 25919 55 1 10 "Average Difference" N 112 3.411 -0.150 3.423 25919 56 1 10 "Average Difference" HA 121 0.334 -0.024 0.334 25919 57 1 10 "Average Difference" C 73 2.066 0.630 1.981 25919 58 1 10 "Average Difference" CA 118 1.210 0.118 1.210 25919 59 1 10 "Average Difference" CB 115 1.440 -0.396 1.391 25919 60 1 10 "Average Difference" HN 112 0.548 -0.012 0.550 25919 61 1 11 "Average Difference" N 112 3.159 0.295 3.159 25919 62 1 11 "Average Difference" HA 121 0.327 -0.030 0.327 25919 63 1 11 "Average Difference" C 73 1.963 0.591 1.885 25919 64 1 11 "Average Difference" CA 118 1.295 0.119 1.295 25919 65 1 11 "Average Difference" CB 115 1.326 -0.506 1.231 25919 66 1 11 "Average Difference" HN 112 0.550 -0.012 0.552 25919 67 1 12 "Average Difference" N 112 3.413 0.100 3.426 25919 68 1 12 "Average Difference" HA 121 0.346 -0.017 0.347 25919 69 1 12 "Average Difference" C 73 2.075 0.440 2.042 25919 70 1 12 "Average Difference" CA 118 1.271 -0.037 1.276 25919 71 1 12 "Average Difference" CB 115 1.334 -0.369 1.288 25919 72 1 12 "Average Difference" HN 112 0.645 -0.047 0.646 25919 73 1 13 "Average Difference" N 112 2.662 0.031 2.673 25919 74 1 13 "Average Difference" HA 121 0.287 0.006 0.288 25919 75 1 13 "Average Difference" C 73 1.980 0.501 1.929 25919 76 1 13 "Average Difference" CA 118 1.184 0.017 1.189 25919 77 1 13 "Average Difference" CB 115 1.250 -0.348 1.206 25919 78 1 13 "Average Difference" HN 112 0.562 -0.015 0.565 25919 79 1 14 "Average Difference" N 112 3.024 -0.249 3.027 25919 80 1 14 "Average Difference" HA 121 0.308 -0.013 0.309 25919 81 1 14 "Average Difference" C 73 1.963 0.569 1.891 25919 82 1 14 "Average Difference" CA 118 1.185 0.108 1.185 25919 83 1 14 "Average Difference" CB 115 1.287 -0.403 1.227 25919 84 1 14 "Average Difference" HN 112 0.515 -0.010 0.517 25919 85 1 15 "Average Difference" N 112 2.701 0.143 2.710 25919 86 1 15 "Average Difference" HA 121 0.312 -0.013 0.313 25919 87 1 15 "Average Difference" C 73 2.016 0.537 1.956 25919 88 1 15 "Average Difference" CA 118 1.047 0.004 1.052 25919 89 1 15 "Average Difference" CB 115 1.266 -0.431 1.195 25919 90 1 15 "Average Difference" HN 112 0.465 -0.029 0.467 25919 91 1 16 "Average Difference" N 112 2.584 -0.048 2.595 25919 92 1 16 "Average Difference" HA 121 0.301 -0.007 0.302 25919 93 1 16 "Average Difference" C 73 2.013 0.637 1.923 25919 94 1 16 "Average Difference" CA 118 1.061 -0.001 1.066 25919 95 1 16 "Average Difference" CB 115 1.204 -0.428 1.131 25919 96 1 16 "Average Difference" HN 112 0.550 -0.077 0.547 25919 97 1 17 "Average Difference" N 112 2.613 -0.064 2.624 25919 98 1 17 "Average Difference" HA 121 0.274 -0.023 0.274 25919 99 1 17 "Average Difference" C 73 2.013 0.527 1.956 25919 100 1 17 "Average Difference" CA 118 1.170 0.009 1.175 25919 101 1 17 "Average Difference" CB 115 1.272 -0.423 1.205 25919 102 1 17 "Average Difference" HN 112 0.576 -0.104 0.569 25919 103 1 18 "Average Difference" N 112 2.746 0.302 2.742 25919 104 1 18 "Average Difference" HA 121 0.300 -0.009 0.301 25919 105 1 18 "Average Difference" C 73 2.042 0.582 1.970 25919 106 1 18 "Average Difference" CA 118 1.155 0.006 1.160 25919 107 1 18 "Average Difference" CB 115 1.210 -0.429 1.136 25919 108 1 18 "Average Difference" HN 112 0.528 -0.036 0.530 25919 109 1 19 "Average Difference" N 112 2.559 0.085 2.569 25919 110 1 19 "Average Difference" HA 121 0.273 -0.013 0.274 25919 111 1 19 "Average Difference" C 73 2.061 0.637 1.974 25919 112 1 19 "Average Difference" CA 118 1.160 0.108 1.160 25919 113 1 19 "Average Difference" CB 115 1.265 -0.515 1.160 25919 114 1 19 "Average Difference" HN 112 0.528 -0.073 0.525 25919 115 1 20 "Average Difference" N 112 2.892 -0.190 2.899 25919 116 1 20 "Average Difference" HA 121 0.319 0.015 0.320 25919 117 1 20 "Average Difference" C 73 1.976 0.536 1.915 25919 118 1 20 "Average Difference" CA 118 1.187 -0.047 1.191 25919 119 1 20 "Average Difference" CB 115 1.181 -0.314 1.144 25919 120 1 20 "Average Difference" HN 112 0.525 -0.061 0.524 25919 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 25919 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 PRO HA H 2 4.424 4.424 4.689 -0.265 25919 2 1 . 1 1 2 2 PRO C C 2 176.917 176.917 176.403 0.514 25919 3 1 . 1 1 2 2 PRO CA C 2 63.418 63.418 63.516 -0.098 25919 4 1 . 1 1 2 2 PRO CB C 2 32.160 32.160 31.499 0.661 25919 5 1 . 1 1 3 3 SER N N 3 116.273 116.273 116.509 -0.236 25919 6 1 . 1 1 3 3 SER HA H 3 4.389 4.389 4.505 -0.116 25919 7 1 . 1 1 3 3 SER C C 3 174.762 174.762 174.671 0.091 25919 8 1 . 1 1 3 3 SER CA C 3 58.472 58.472 57.790 0.682 25919 9 1 . 1 1 3 3 SER CB C 3 63.913 63.913 64.233 -0.320 25919 10 1 . 1 1 3 3 SER H H 3 8.366 8.366 7.958 0.408 25919 11 1 . 1 1 4 4 GLU N N 4 123.959 123.959 121.564 2.395 25919 12 1 . 1 1 4 4 GLU HA H 4 4.289 4.289 4.246 0.043 25919 13 1 . 1 1 4 4 GLU C C 4 176.545 176.545 176.050 0.495 25919 14 1 . 1 1 4 4 GLU CA C 4 56.785 56.785 57.743 -0.958 25919 15 1 . 1 1 4 4 GLU CB C 4 30.200 30.200 30.026 0.174 25919 16 1 . 1 1 4 4 GLU H H 4 8.513 8.513 8.615 -0.102 25919 17 1 . 1 1 5 5 LYS N N 5 122.165 122.165 119.582 2.583 25919 18 1 . 1 1 5 5 LYS HA H 5 4.508 4.508 4.335 0.173 25919 19 1 . 1 1 5 5 LYS C C 5 177.178 177.178 175.830 1.348 25919 20 1 . 1 1 5 5 LYS CA C 5 56.000 56.000 55.820 0.180 25919 21 1 . 1 1 5 5 LYS CB C 5 34.758 34.758 33.285 1.472 25919 22 1 . 1 1 5 5 LYS H H 5 8.198 8.198 7.947 0.251 25919 23 1 . 1 1 6 6 THR N N 6 115.586 115.586 113.430 2.156 25919 24 1 . 1 1 6 6 THR HA H 6 4.426 4.426 4.365 0.061 25919 25 1 . 1 1 6 6 THR C C 6 175.570 175.570 176.150 -0.580 25919 26 1 . 1 1 6 6 THR CA C 6 61.120 61.120 61.826 -0.706 25919 27 1 . 1 1 6 6 THR CB C 6 69.871 69.871 69.781 0.090 25919 28 1 . 1 1 6 6 THR H H 6 8.423 8.423 8.099 0.324 25919 29 1 . 1 1 7 7 PHE N N 7 126.100 126.100 122.194 3.906 25919 30 1 . 1 1 7 7 PHE HA H 7 3.935 3.935 4.303 -0.368 25919 31 1 . 1 1 7 7 PHE CA C 7 63.687 63.687 59.934 3.753 25919 32 1 . 1 1 7 7 PHE CB C 7 39.656 39.656 38.678 0.978 25919 33 1 . 1 1 7 7 PHE H H 7 10.276 10.276 9.013 1.263 25919 34 1 . 1 1 8 8 LYS N N 8 115.026 115.026 120.846 -5.821 25919 35 1 . 1 1 8 8 LYS HA H 8 3.800 3.800 4.034 -0.234 25919 36 1 . 1 1 8 8 LYS CA C 8 59.944 59.944 57.768 2.176 25919 37 1 . 1 1 8 8 LYS CB C 8 33.852 33.852 31.699 2.153 25919 38 1 . 1 1 8 8 LYS H H 8 8.707 8.707 7.645 1.062 25919 39 1 . 1 1 9 9 GLN N N 9 113.774 113.774 117.076 -3.302 25919 40 1 . 1 1 9 9 GLN HA H 9 4.178 4.178 4.104 0.074 25919 41 1 . 1 1 9 9 GLN C C 9 173.193 173.193 177.401 -4.208 25919 42 1 . 1 1 9 9 GLN CA C 9 56.741 56.741 57.952 -1.211 25919 43 1 . 1 1 9 9 GLN CB C 9 30.065 30.065 29.047 1.018 25919 44 1 . 1 1 9 9 GLN H H 9 7.343 7.343 7.748 -0.404 25919 45 1 . 1 1 10 10 ARG N N 10 119.156 119.156 117.325 1.831 25919 46 1 . 1 1 10 10 ARG HA H 10 4.248 4.248 4.429 -0.181 25919 47 1 . 1 1 10 10 ARG CA C 10 57.555 57.555 56.570 0.985 25919 48 1 . 1 1 10 10 ARG CB C 10 31.771 31.771 32.176 -0.405 25919 49 1 . 1 1 10 10 ARG H H 10 7.912 7.912 7.801 0.111 25919 50 1 . 1 1 11 11 ARG N N 11 120.777 120.777 119.919 0.858 25919 51 1 . 1 1 11 11 ARG HA H 11 4.685 4.685 4.783 -0.098 25919 52 1 . 1 1 11 11 ARG CA C 11 53.161 53.161 54.372 -1.211 25919 53 1 . 1 1 11 11 ARG CB C 11 32.773 32.773 32.144 0.628 25919 54 1 . 1 1 11 11 ARG H H 11 7.341 7.341 8.095 -0.754 25919 55 1 . 1 1 12 12 THR N N 12 116.696 116.696 114.202 2.494 25919 56 1 . 1 1 12 12 THR HA H 12 4.358 4.358 4.603 -0.245 25919 57 1 . 1 1 12 12 THR C C 12 175.056 175.056 175.531 -0.475 25919 58 1 . 1 1 12 12 THR CA C 12 61.795 61.795 60.064 1.731 25919 59 1 . 1 1 12 12 THR CB C 12 71.050 71.050 71.112 -0.062 25919 60 1 . 1 1 12 12 THR H H 12 8.855 8.855 8.223 0.632 25919 61 1 . 1 1 13 13 PHE N N 13 123.894 123.894 122.580 1.314 25919 62 1 . 1 1 13 13 PHE HA H 13 4.043 4.043 4.185 -0.142 25919 63 1 . 1 1 13 13 PHE C C 13 176.234 176.234 176.949 -0.715 25919 64 1 . 1 1 13 13 PHE CA C 13 62.947 62.947 62.446 0.501 25919 65 1 . 1 1 13 13 PHE CB C 13 39.571 39.571 39.202 0.369 25919 66 1 . 1 1 13 13 PHE H H 13 9.221 9.221 8.886 0.335 25919 67 1 . 1 1 14 14 GLU N N 14 116.516 116.516 117.403 -0.887 25919 68 1 . 1 1 14 14 GLU HA H 14 3.812 3.812 3.832 -0.020 25919 69 1 . 1 1 14 14 GLU CA C 14 60.699 60.699 59.657 1.042 25919 70 1 . 1 1 14 14 GLU CB C 14 28.943 28.943 28.933 0.010 25919 71 1 . 1 1 14 14 GLU H H 14 9.002 9.002 8.877 0.125 25919 72 1 . 1 1 15 15 GLN N N 15 119.291 119.291 118.511 0.780 25919 73 1 . 1 1 15 15 GLN HA H 15 4.024 4.024 4.086 -0.062 25919 74 1 . 1 1 15 15 GLN C C 15 175.263 175.263 178.634 -3.371 25919 75 1 . 1 1 15 15 GLN CA C 15 58.800 58.800 58.541 0.259 25919 76 1 . 1 1 15 15 GLN CB C 15 29.300 29.300 28.563 0.737 25919 77 1 . 1 1 15 15 GLN H H 15 7.706 7.706 7.766 -0.060 25919 78 1 . 1 1 16 16 ARG N N 16 122.883 122.883 120.339 2.544 25919 79 1 . 1 1 16 16 ARG HA H 16 4.235 4.235 4.109 0.126 25919 80 1 . 1 1 16 16 ARG CA C 16 61.660 61.660 59.239 2.421 25919 81 1 . 1 1 16 16 ARG CB C 16 30.877 30.877 30.042 0.835 25919 82 1 . 1 1 16 16 ARG H H 16 8.567 8.567 8.348 0.219 25919 83 1 . 1 1 17 17 VAL N N 17 118.523 118.523 120.259 -1.736 25919 84 1 . 1 1 17 17 VAL HA H 17 3.865 3.865 3.686 0.179 25919 85 1 . 1 1 17 17 VAL C C 17 174.213 174.213 178.160 -3.947 25919 86 1 . 1 1 17 17 VAL CA C 17 65.550 65.550 66.462 -0.911 25919 87 1 . 1 1 17 17 VAL CB C 17 32.171 32.171 31.336 0.835 25919 88 1 . 1 1 17 17 VAL H H 17 8.430 8.430 8.330 0.100 25919 89 1 . 1 1 18 18 GLU N N 18 120.170 120.170 119.974 0.196 25919 90 1 . 1 1 18 18 GLU HA H 18 4.212 4.212 3.929 0.283 25919 91 1 . 1 1 18 18 GLU C C 18 175.758 175.758 178.745 -2.987 25919 92 1 . 1 1 18 18 GLU CA C 18 58.488 58.488 59.675 -1.187 25919 93 1 . 1 1 18 18 GLU CB C 18 29.360 29.360 29.166 0.195 25919 94 1 . 1 1 18 18 GLU H H 18 7.423 7.423 7.959 -0.536 25919 95 1 . 1 1 19 19 ASP N N 19 121.273 121.273 120.427 0.847 25919 96 1 . 1 1 19 19 ASP HA H 19 4.384 4.384 4.375 0.009 25919 97 1 . 1 1 19 19 ASP C C 19 177.016 177.016 178.760 -1.744 25919 98 1 . 1 1 19 19 ASP CA C 19 56.900 56.900 57.381 -0.481 25919 99 1 . 1 1 19 19 ASP CB C 19 41.884 41.884 40.583 1.302 25919 100 1 . 1 1 19 19 ASP H H 19 7.955 7.955 8.235 -0.280 25919 101 1 . 1 1 20 20 VAL N N 20 119.523 119.523 120.002 -0.479 25919 102 1 . 1 1 20 20 VAL HA H 20 3.232 3.232 3.553 -0.321 25919 103 1 . 1 1 20 20 VAL C C 20 173.876 173.876 177.761 -3.885 25919 104 1 . 1 1 20 20 VAL CA C 20 66.128 66.128 66.362 -0.234 25919 105 1 . 1 1 20 20 VAL CB C 20 31.099 31.099 31.522 -0.423 25919 106 1 . 1 1 20 20 VAL H H 20 7.818 7.818 8.256 -0.438 25919 107 1 . 1 1 21 21 ARG N N 21 120.310 120.310 120.223 0.087 25919 108 1 . 1 1 21 21 ARG HA H 21 3.803 3.803 4.004 -0.201 25919 109 1 . 1 1 21 21 ARG CA C 21 59.934 59.934 59.581 0.353 25919 110 1 . 1 1 21 21 ARG CB C 21 30.076 30.076 30.095 -0.019 25919 111 1 . 1 1 21 21 ARG H H 21 8.037 8.037 7.931 0.106 25919 112 1 . 1 1 22 22 LEU N N 22 118.660 118.660 120.265 -1.605 25919 113 1 . 1 1 22 22 LEU HA H 22 4.094 4.094 4.003 0.091 25919 114 1 . 1 1 22 22 LEU C C 22 177.626 177.626 179.125 -1.499 25919 115 1 . 1 1 22 22 LEU CA C 22 57.738 57.738 58.329 -0.591 25919 116 1 . 1 1 22 22 LEU CB C 22 42.222 42.222 41.806 0.416 25919 117 1 . 1 1 22 22 LEU H H 22 8.050 8.050 8.363 -0.313 25919 118 1 . 1 1 23 23 ILE N N 23 122.825 122.825 119.578 3.247 25919 119 1 . 1 1 23 23 ILE HA H 23 4.122 4.122 3.666 0.456 25919 120 1 . 1 1 23 23 ILE C C 23 176.226 176.226 177.849 -1.623 25919 121 1 . 1 1 23 23 ILE CA C 23 61.243 61.243 64.014 -2.771 25919 122 1 . 1 1 23 23 ILE CB C 23 38.268 38.268 37.246 1.022 25919 123 1 . 1 1 23 23 ILE H H 23 8.390 8.390 8.365 0.025 25919 124 1 . 1 1 24 24 ARG N N 24 122.365 122.365 119.826 2.539 25919 125 1 . 1 1 24 24 ARG HA H 24 4.017 4.017 4.042 -0.025 25919 126 1 . 1 1 24 24 ARG CA C 24 57.684 57.684 58.259 -0.575 25919 127 1 . 1 1 24 24 ARG CB C 24 28.817 28.817 29.666 -0.849 25919 128 1 . 1 1 24 24 ARG H H 24 8.540 8.540 8.147 0.393 25919 129 1 . 1 1 25 25 GLU N N 25 118.383 118.383 118.434 -0.051 25919 130 1 . 1 1 25 25 GLU HA H 25 4.044 4.044 4.124 -0.080 25919 131 1 . 1 1 25 25 GLU CA C 25 58.680 58.680 58.532 0.148 25919 132 1 . 1 1 25 25 GLU CB C 25 29.850 29.850 29.660 0.190 25919 133 1 . 1 1 25 25 GLU H H 25 7.287 7.287 7.870 -0.583 25919 134 1 . 1 1 26 26 GLN N N 26 117.165 117.165 117.003 0.162 25919 135 1 . 1 1 26 26 GLN HA H 26 3.948 3.948 4.114 -0.166 25919 136 1 . 1 1 26 26 GLN C C 26 176.221 176.221 176.907 -0.686 25919 137 1 . 1 1 26 26 GLN CA C 26 57.638 57.638 57.353 0.285 25919 138 1 . 1 1 26 26 GLN CB C 26 30.320 30.320 29.536 0.784 25919 139 1 . 1 1 26 26 GLN H H 26 7.423 7.423 7.934 -0.511 25919 140 1 . 1 1 27 27 HIS N N 27 117.140 117.140 117.320 -0.180 25919 141 1 . 1 1 27 27 HIS HA H 27 4.866 4.866 5.027 -0.161 25919 142 1 . 1 1 27 27 HIS CA C 27 53.305 53.305 52.619 0.686 25919 143 1 . 1 1 27 27 HIS CB C 27 30.917 30.917 29.852 1.065 25919 144 1 . 1 1 27 27 HIS H H 27 8.254 8.254 8.123 0.131 25919 145 1 . 1 1 28 28 PRO HA H 28 4.609 4.609 4.416 0.193 25919 146 1 . 1 1 28 28 PRO CA C 28 64.881 64.881 64.770 0.111 25919 147 1 . 1 1 28 28 PRO CB C 28 32.554 32.554 32.070 0.483 25919 148 1 . 1 1 29 29 THR N N 29 107.339 107.339 107.077 0.262 25919 149 1 . 1 1 29 29 THR HA H 29 4.644 4.644 4.203 0.441 25919 150 1 . 1 1 29 29 THR C C 29 172.933 172.933 174.212 -1.279 25919 151 1 . 1 1 29 29 THR CA C 29 60.600 60.600 62.833 -2.233 25919 152 1 . 1 1 29 29 THR CB C 29 68.520 68.520 68.800 -0.280 25919 153 1 . 1 1 29 29 THR H H 29 7.764 7.764 8.335 -0.571 25919 154 1 . 1 1 30 30 LYS N N 30 118.273 118.273 121.001 -2.728 25919 155 1 . 1 1 30 30 LYS HA H 30 4.926 4.926 4.955 -0.029 25919 156 1 . 1 1 30 30 LYS C C 30 175.010 175.010 175.098 -0.088 25919 157 1 . 1 1 30 30 LYS CA C 30 53.740 53.740 55.044 -1.304 25919 158 1 . 1 1 30 30 LYS CB C 30 36.445 36.445 35.260 1.185 25919 159 1 . 1 1 30 30 LYS H H 30 7.478 7.478 7.633 -0.155 25919 160 1 . 1 1 31 31 ILE N N 31 123.498 123.498 122.304 1.194 25919 161 1 . 1 1 31 31 ILE HA H 31 4.139 4.139 4.263 -0.124 25919 162 1 . 1 1 31 31 ILE CA C 31 54.669 54.669 56.222 -1.553 25919 163 1 . 1 1 31 31 ILE CB C 31 38.427 38.427 38.489 -0.062 25919 164 1 . 1 1 31 31 ILE H H 31 9.235 9.235 8.794 0.441 25919 165 1 . 1 1 32 32 PRO HA H 32 5.212 5.212 4.621 0.591 25919 166 1 . 1 1 32 32 PRO C C 32 174.832 174.832 175.701 -0.869 25919 167 1 . 1 1 32 32 PRO CA C 32 61.678 61.678 62.218 -0.540 25919 168 1 . 1 1 32 32 PRO CB C 32 30.993 30.993 31.426 -0.434 25919 169 1 . 1 1 33 33 VAL N N 33 124.964 124.964 123.616 1.348 25919 170 1 . 1 1 33 33 VAL HA H 33 5.234 5.234 5.003 0.231 25919 171 1 . 1 1 33 33 VAL CA C 33 59.611 59.611 60.644 -1.033 25919 172 1 . 1 1 33 33 VAL CB C 33 35.711 35.711 35.737 -0.026 25919 173 1 . 1 1 33 33 VAL H H 33 9.289 9.289 8.932 0.357 25919 174 1 . 1 1 34 34 ILE N N 34 127.908 127.908 125.261 2.647 25919 175 1 . 1 1 34 34 ILE HA H 34 4.742 4.742 4.449 0.293 25919 176 1 . 1 1 34 34 ILE CA C 34 56.330 56.330 59.316 -2.986 25919 177 1 . 1 1 34 34 ILE CB C 34 36.629 36.629 39.950 -3.321 25919 178 1 . 1 1 34 34 ILE H H 34 8.594 8.594 8.854 -0.260 25919 179 1 . 1 1 35 35 ILE N N 35 125.405 125.405 126.682 -1.277 25919 180 1 . 1 1 35 35 ILE HA H 35 4.879 4.879 5.190 -0.311 25919 181 1 . 1 1 35 35 ILE C C 35 176.126 176.126 173.914 2.212 25919 182 1 . 1 1 35 35 ILE CA C 35 60.923 60.923 59.216 1.707 25919 183 1 . 1 1 35 35 ILE CB C 35 38.968 38.968 41.344 -2.376 25919 184 1 . 1 1 35 35 ILE H H 35 8.545 8.545 8.607 -0.062 25919 185 1 . 1 1 36 36 GLU N N 36 124.153 124.153 127.516 -3.363 25919 186 1 . 1 1 36 36 GLU HA H 36 4.789 4.789 4.915 -0.126 25919 187 1 . 1 1 36 36 GLU C C 36 173.645 173.645 174.940 -1.295 25919 188 1 . 1 1 36 36 GLU CA C 36 54.282 54.282 54.421 -0.139 25919 189 1 . 1 1 36 36 GLU CB C 36 35.401 35.401 34.199 1.202 25919 190 1 . 1 1 36 36 GLU H H 36 8.363 8.363 8.604 -0.241 25919 191 1 . 1 1 37 37 ARG N N 37 123.957 123.957 127.258 -3.301 25919 192 1 . 1 1 37 37 ARG HA H 37 2.804 2.804 3.792 -0.988 25919 193 1 . 1 1 37 37 ARG C C 37 176.456 176.456 176.088 0.368 25919 194 1 . 1 1 37 37 ARG CA C 37 56.120 56.120 56.563 -0.443 25919 195 1 . 1 1 37 37 ARG CB C 37 31.500 31.500 30.473 1.027 25919 196 1 . 1 1 37 37 ARG H H 37 8.853 8.853 8.793 0.060 25919 197 1 . 1 1 38 38 TYR N N 38 129.636 129.636 128.073 1.563 25919 198 1 . 1 1 38 38 TYR HA H 38 4.311 4.311 4.301 0.010 25919 199 1 . 1 1 38 38 TYR CA C 38 57.907 57.907 58.994 -1.087 25919 200 1 . 1 1 38 38 TYR CB C 38 39.567 39.567 39.456 0.111 25919 201 1 . 1 1 38 38 TYR H H 38 8.663 8.663 8.461 0.202 25919 202 1 . 1 1 39 39 LYS N N 39 130.772 130.772 127.520 3.252 25919 203 1 . 1 1 39 39 LYS HA H 39 3.848 3.848 3.825 0.023 25919 204 1 . 1 1 39 39 LYS CA C 39 58.986 58.986 58.506 0.480 25919 205 1 . 1 1 39 39 LYS CB C 39 31.777 31.777 32.040 -0.263 25919 206 1 . 1 1 39 39 LYS H H 39 8.389 8.389 8.432 -0.043 25919 207 1 . 1 1 40 40 GLY N N 40 106.013 106.013 103.867 2.146 25919 208 1 . 1 1 40 40 GLY C C 40 173.407 173.407 174.179 -0.772 25919 209 1 . 1 1 40 40 GLY CA C 40 44.796 44.796 44.738 0.058 25919 210 1 . 1 1 40 40 GLY H H 40 5.643 5.643 6.706 -1.063 25919 211 1 . 1 1 41 41 GLU N N 41 123.519 123.519 119.619 3.900 25919 212 1 . 1 1 41 41 GLU HA H 41 4.265 4.265 4.414 -0.149 25919 213 1 . 1 1 41 41 GLU C C 41 176.231 176.231 175.551 0.680 25919 214 1 . 1 1 41 41 GLU CA C 41 56.365 56.365 55.805 0.560 25919 215 1 . 1 1 41 41 GLU CB C 41 31.077 31.077 30.782 0.295 25919 216 1 . 1 1 41 41 GLU H H 41 7.464 7.464 7.138 0.326 25919 217 1 . 1 1 42 42 LYS N N 42 124.405 124.405 125.729 -1.324 25919 218 1 . 1 1 42 42 LYS HA H 42 4.669 4.669 4.325 0.344 25919 219 1 . 1 1 42 42 LYS C C 42 177.170 177.170 176.526 0.645 25919 220 1 . 1 1 42 42 LYS CA C 42 55.750 55.750 56.085 -0.335 25919 221 1 . 1 1 42 42 LYS CB C 42 34.929 34.929 31.215 3.714 25919 222 1 . 1 1 42 42 LYS H H 42 8.895 8.895 8.495 0.400 25919 223 1 . 1 1 43 43 GLN N N 43 119.903 119.903 118.759 1.144 25919 224 1 . 1 1 43 43 GLN HA H 43 4.541 4.541 4.146 0.395 25919 225 1 . 1 1 43 43 GLN C C 43 177.260 177.260 176.573 0.687 25919 226 1 . 1 1 43 43 GLN CA C 43 57.566 57.566 57.212 0.354 25919 227 1 . 1 1 43 43 GLN CB C 43 30.620 30.620 29.186 1.434 25919 228 1 . 1 1 43 43 GLN H H 43 8.459 8.459 7.816 0.643 25919 229 1 . 1 1 44 44 LEU N N 44 121.272 121.272 121.335 -0.063 25919 230 1 . 1 1 44 44 LEU HA H 44 4.726 4.726 4.602 0.124 25919 231 1 . 1 1 44 44 LEU CA C 44 53.165 53.165 52.946 0.220 25919 232 1 . 1 1 44 44 LEU CB C 44 43.444 43.444 41.523 1.921 25919 233 1 . 1 1 44 44 LEU H H 44 9.002 9.002 8.114 0.888 25919 234 1 . 1 1 45 45 PRO HA H 45 4.722 4.722 4.488 0.234 25919 235 1 . 1 1 45 45 PRO CA C 45 62.169 62.169 63.033 -0.864 25919 236 1 . 1 1 45 45 PRO CB C 45 32.722 32.722 32.360 0.362 25919 237 1 . 1 1 46 46 VAL N N 46 118.403 118.403 122.287 -3.884 25919 238 1 . 1 1 46 46 VAL HA H 46 4.009 4.009 4.308 -0.299 25919 239 1 . 1 1 46 46 VAL C C 46 173.416 173.416 175.907 -2.491 25919 240 1 . 1 1 46 46 VAL CA C 46 62.413 62.413 62.125 0.288 25919 241 1 . 1 1 46 46 VAL CB C 46 33.087 33.087 31.755 1.332 25919 242 1 . 1 1 46 46 VAL H H 46 8.349 8.349 8.473 -0.124 25919 243 1 . 1 1 47 47 LEU N N 47 128.653 128.653 122.567 6.085 25919 244 1 . 1 1 47 47 LEU HA H 47 4.452 4.452 4.239 0.213 25919 245 1 . 1 1 47 47 LEU CA C 47 54.758 54.758 55.541 -0.783 25919 246 1 . 1 1 47 47 LEU CB C 47 44.076 44.076 42.009 2.067 25919 247 1 . 1 1 47 47 LEU H H 47 8.064 8.064 7.978 0.086 25919 248 1 . 1 1 48 48 ASP N N 48 121.042 121.042 118.501 2.541 25919 249 1 . 1 1 48 48 ASP HA H 48 4.347 4.347 4.632 -0.285 25919 250 1 . 1 1 48 48 ASP CA C 48 55.600 55.600 54.318 1.282 25919 251 1 . 1 1 48 48 ASP CB C 48 40.407 40.407 40.296 0.111 25919 252 1 . 1 1 48 48 ASP H H 48 8.649 8.649 8.558 0.091 25919 253 1 . 1 1 49 49 LYS N N 49 118.877 118.877 120.299 -1.422 25919 254 1 . 1 1 49 49 LYS HA H 49 4.541 4.541 4.318 0.223 25919 255 1 . 1 1 49 49 LYS C C 49 179.744 179.744 176.393 3.351 25919 256 1 . 1 1 49 49 LYS CA C 49 54.099 54.099 56.495 -2.396 25919 257 1 . 1 1 49 49 LYS CB C 49 35.378 35.378 32.724 2.654 25919 258 1 . 1 1 49 49 LYS H H 49 7.287 7.287 8.015 -0.728 25919 259 1 . 1 1 50 50 THR N N 50 114.691 114.691 111.867 2.824 25919 260 1 . 1 1 50 50 THR HA H 50 4.628 4.628 4.529 0.099 25919 261 1 . 1 1 50 50 THR CA C 50 63.920 63.920 62.622 1.298 25919 262 1 . 1 1 50 50 THR CB C 50 71.365 71.365 70.279 1.086 25919 263 1 . 1 1 50 50 THR H H 50 8.064 8.064 8.169 -0.105 25919 264 1 . 1 1 51 51 LYS N N 51 120.273 120.273 121.103 -0.830 25919 265 1 . 1 1 51 51 LYS HA H 51 4.570 4.570 4.603 -0.033 25919 266 1 . 1 1 51 51 LYS CA C 51 54.997 54.997 55.439 -0.442 25919 267 1 . 1 1 51 51 LYS CB C 51 32.700 32.700 35.443 -2.743 25919 268 1 . 1 1 51 51 LYS H H 51 7.192 7.192 7.349 -0.157 25919 269 1 . 1 1 52 52 PHE N N 52 121.816 121.816 119.482 2.334 25919 270 1 . 1 1 52 52 PHE HA H 52 5.503 5.503 4.784 0.719 25919 271 1 . 1 1 52 52 PHE CA C 52 56.104 56.104 56.697 -0.593 25919 272 1 . 1 1 52 52 PHE CB C 52 43.188 43.188 42.584 0.604 25919 273 1 . 1 1 52 52 PHE H H 52 9.466 9.466 8.875 0.591 25919 274 1 . 1 1 53 53 LEU N N 53 120.846 120.846 123.665 -2.819 25919 275 1 . 1 1 53 53 LEU HA H 53 5.135 5.135 5.147 -0.012 25919 276 1 . 1 1 53 53 LEU C C 53 175.042 175.042 175.937 -0.895 25919 277 1 . 1 1 53 53 LEU CA C 53 52.916 52.916 53.774 -0.858 25919 278 1 . 1 1 53 53 LEU CB C 53 45.242 45.242 43.645 1.597 25919 279 1 . 1 1 53 53 LEU H H 53 8.608 8.608 8.595 0.013 25919 280 1 . 1 1 54 54 VAL N N 54 123.773 123.773 124.151 -0.378 25919 281 1 . 1 1 54 54 VAL HA H 54 4.755 4.755 4.502 0.253 25919 282 1 . 1 1 54 54 VAL CA C 54 58.622 58.622 58.934 -0.312 25919 283 1 . 1 1 54 54 VAL CB C 54 35.150 35.150 33.801 1.349 25919 284 1 . 1 1 54 54 VAL H H 54 8.801 8.801 8.680 0.121 25919 285 1 . 1 1 55 55 PRO HA H 55 4.435 4.435 4.654 -0.219 25919 286 1 . 1 1 55 55 PRO C C 55 176.427 176.427 178.032 -1.605 25919 287 1 . 1 1 55 55 PRO CA C 55 64.298 64.298 62.733 1.565 25919 288 1 . 1 1 55 55 PRO CB C 55 32.822 32.822 32.169 0.653 25919 289 1 . 1 1 56 56 ASP N N 56 121.214 121.214 124.223 -3.009 25919 290 1 . 1 1 56 56 ASP HA H 56 3.880 3.880 4.243 -0.363 25919 291 1 . 1 1 56 56 ASP CA C 56 56.742 56.742 57.460 -0.718 25919 292 1 . 1 1 56 56 ASP CB C 56 40.481 40.481 40.224 0.257 25919 293 1 . 1 1 56 56 ASP H H 56 8.336 8.336 8.745 -0.409 25919 294 1 . 1 1 57 57 HIS N N 57 114.277 114.277 117.161 -2.884 25919 295 1 . 1 1 57 57 HIS HA H 57 4.772 4.772 4.465 0.307 25919 296 1 . 1 1 57 57 HIS C C 57 174.806 174.806 175.845 -1.039 25919 297 1 . 1 1 57 57 HIS CA C 57 55.688 55.688 57.349 -1.661 25919 298 1 . 1 1 57 57 HIS CB C 57 30.450 30.450 29.634 0.816 25919 299 1 . 1 1 57 57 HIS H H 57 7.464 7.464 8.296 -0.832 25919 300 1 . 1 1 58 58 VAL N N 58 123.531 123.531 121.511 2.020 25919 301 1 . 1 1 58 58 VAL HA H 58 3.909 3.909 3.926 -0.017 25919 302 1 . 1 1 58 58 VAL C C 58 177.148 177.148 175.193 1.955 25919 303 1 . 1 1 58 58 VAL CA C 58 62.900 62.900 63.207 -0.307 25919 304 1 . 1 1 58 58 VAL CB C 58 32.320 32.320 31.837 0.483 25919 305 1 . 1 1 58 58 VAL H H 58 7.261 7.261 7.801 -0.540 25919 306 1 . 1 1 59 59 ASN N N 59 124.147 124.147 125.166 -1.019 25919 307 1 . 1 1 59 59 ASN HA H 59 5.174 5.174 4.962 0.212 25919 308 1 . 1 1 59 59 ASN C C 59 175.176 175.176 176.539 -1.363 25919 309 1 . 1 1 59 59 ASN CA C 59 51.374 51.374 52.750 -1.376 25919 310 1 . 1 1 59 59 ASN CB C 59 40.038 40.038 39.702 0.336 25919 311 1 . 1 1 59 59 ASN H H 59 8.819 8.819 8.544 0.275 25919 312 1 . 1 1 60 60 MET N N 60 117.583 117.583 121.398 -3.815 25919 313 1 . 1 1 60 60 MET HA H 60 4.425 4.425 4.156 0.269 25919 314 1 . 1 1 60 60 MET CA C 60 57.271 57.271 58.053 -0.782 25919 315 1 . 1 1 60 60 MET CB C 60 30.063 30.063 32.031 -1.968 25919 316 1 . 1 1 60 60 MET H H 60 8.023 8.023 8.697 -0.674 25919 317 1 . 1 1 61 61 SER N N 61 115.027 115.027 114.742 0.285 25919 318 1 . 1 1 61 61 SER HA H 61 4.138 4.138 4.106 0.032 25919 319 1 . 1 1 61 61 SER C C 61 178.809 178.809 176.554 2.255 25919 320 1 . 1 1 61 61 SER CA C 61 61.553 61.553 61.545 0.008 25919 321 1 . 1 1 61 61 SER CB C 61 62.581 62.581 62.687 -0.106 25919 322 1 . 1 1 61 61 SER H H 61 8.350 8.350 8.103 0.247 25919 323 1 . 1 1 62 62 GLU N N 62 123.657 123.657 122.798 0.859 25919 324 1 . 1 1 62 62 GLU HA H 62 3.979 3.979 4.098 -0.119 25919 325 1 . 1 1 62 62 GLU C C 62 176.456 176.456 178.405 -1.949 25919 326 1 . 1 1 62 62 GLU CA C 62 58.726 58.726 58.715 0.011 25919 327 1 . 1 1 62 62 GLU CB C 62 29.700 29.700 29.356 0.344 25919 328 1 . 1 1 62 62 GLU H H 62 7.994 7.994 7.952 0.042 25919 329 1 . 1 1 63 63 LEU N N 63 121.225 121.225 121.406 -0.181 25919 330 1 . 1 1 63 63 LEU HA H 63 3.949 3.949 3.932 0.017 25919 331 1 . 1 1 63 63 LEU C C 63 178.113 178.113 178.603 -0.490 25919 332 1 . 1 1 63 63 LEU CA C 63 57.860 57.860 58.118 -0.258 25919 333 1 . 1 1 63 63 LEU CB C 63 41.526 41.526 41.797 -0.271 25919 334 1 . 1 1 63 63 LEU H H 63 8.223 8.223 8.207 0.016 25919 335 1 . 1 1 64 64 ILE N N 64 119.273 119.273 119.234 0.039 25919 336 1 . 1 1 64 64 ILE HA H 64 3.375 3.375 3.562 -0.187 25919 337 1 . 1 1 64 64 ILE CA C 64 66.723 66.723 65.989 0.734 25919 338 1 . 1 1 64 64 ILE CB C 64 38.161 38.161 37.640 0.521 25919 339 1 . 1 1 64 64 ILE H H 64 8.301 8.301 8.380 -0.079 25919 340 1 . 1 1 65 65 LYS N N 65 119.143 119.143 120.181 -1.038 25919 341 1 . 1 1 65 65 LYS HA H 65 3.703 3.703 3.937 -0.234 25919 342 1 . 1 1 65 65 LYS C C 65 173.869 173.869 178.921 -5.052 25919 343 1 . 1 1 65 65 LYS CA C 65 60.451 60.451 59.846 0.605 25919 344 1 . 1 1 65 65 LYS CB C 65 32.300 32.300 32.347 -0.047 25919 345 1 . 1 1 65 65 LYS H H 65 7.300 7.300 7.867 -0.567 25919 346 1 . 1 1 66 66 ILE N N 66 120.527 120.527 121.138 -0.611 25919 347 1 . 1 1 66 66 ILE HA H 66 3.541 3.541 3.751 -0.210 25919 348 1 . 1 1 66 66 ILE C C 66 176.459 176.459 177.557 -1.098 25919 349 1 . 1 1 66 66 ILE CA C 66 65.290 65.290 64.018 1.272 25919 350 1 . 1 1 66 66 ILE CB C 66 38.254 38.254 37.654 0.600 25919 351 1 . 1 1 66 66 ILE H H 66 8.048 8.048 7.831 0.217 25919 352 1 . 1 1 67 67 ILE N N 67 121.527 121.527 121.212 0.315 25919 353 1 . 1 1 67 67 ILE HA H 67 3.336 3.336 3.542 -0.206 25919 354 1 . 1 1 67 67 ILE C C 67 178.102 178.102 177.875 0.227 25919 355 1 . 1 1 67 67 ILE CA C 67 63.952 63.952 64.438 -0.486 25919 356 1 . 1 1 67 67 ILE CB C 67 35.891 35.891 36.801 -0.910 25919 357 1 . 1 1 67 67 ILE H H 67 8.308 8.308 8.081 0.227 25919 358 1 . 1 1 68 68 ARG N N 68 119.384 119.384 119.734 -0.350 25919 359 1 . 1 1 68 68 ARG HA H 68 2.970 2.970 3.344 -0.374 25919 360 1 . 1 1 68 68 ARG C C 68 172.723 172.723 178.130 -5.407 25919 361 1 . 1 1 68 68 ARG CA C 68 60.704 60.704 59.469 1.235 25919 362 1 . 1 1 68 68 ARG CB C 68 30.320 30.320 29.861 0.459 25919 363 1 . 1 1 68 68 ARG H H 68 8.336 8.336 8.348 -0.012 25919 364 1 . 1 1 69 69 ARG N N 69 117.648 117.648 118.167 -0.519 25919 365 1 . 1 1 69 69 ARG HA H 69 4.138 4.138 4.045 0.093 25919 366 1 . 1 1 69 69 ARG C C 69 172.480 172.480 178.906 -6.426 25919 367 1 . 1 1 69 69 ARG CA C 69 58.645 58.645 58.262 0.383 25919 368 1 . 1 1 69 69 ARG CB C 69 29.779 29.779 29.856 -0.077 25919 369 1 . 1 1 69 69 ARG H H 69 7.432 7.432 7.836 -0.404 25919 370 1 . 1 1 70 70 ARG N N 70 124.006 124.006 118.752 5.254 25919 371 1 . 1 1 70 70 ARG HA H 70 4.074 4.074 4.120 -0.046 25919 372 1 . 1 1 70 70 ARG C C 70 178.799 178.799 177.835 0.964 25919 373 1 . 1 1 70 70 ARG CA C 70 58.385 58.385 57.743 0.642 25919 374 1 . 1 1 70 70 ARG CB C 70 30.043 30.043 30.205 -0.162 25919 375 1 . 1 1 70 70 ARG H H 70 8.212 8.212 8.111 0.101 25919 376 1 . 1 1 71 71 LEU N N 71 117.764 117.764 118.343 -0.579 25919 377 1 . 1 1 71 71 LEU HA H 71 4.085 4.085 4.236 -0.151 25919 378 1 . 1 1 71 71 LEU CA C 71 55.063 55.063 54.525 0.538 25919 379 1 . 1 1 71 71 LEU CB C 71 43.100 43.100 41.953 1.147 25919 380 1 . 1 1 71 71 LEU H H 71 7.750 7.750 7.869 -0.119 25919 381 1 . 1 1 72 72 GLN N N 72 115.522 115.522 117.403 -1.881 25919 382 1 . 1 1 72 72 GLN HA H 72 3.839 3.839 4.051 -0.212 25919 383 1 . 1 1 72 72 GLN C C 72 175.744 175.744 175.220 0.524 25919 384 1 . 1 1 72 72 GLN CA C 72 56.409 56.409 56.302 0.107 25919 385 1 . 1 1 72 72 GLN CB C 72 25.959 25.959 26.541 -0.582 25919 386 1 . 1 1 72 72 GLN H H 72 7.751 7.751 8.093 -0.342 25919 387 1 . 1 1 73 73 LEU N N 73 115.900 115.900 121.213 -5.313 25919 388 1 . 1 1 73 73 LEU HA H 73 4.254 4.254 4.395 -0.141 25919 389 1 . 1 1 73 73 LEU C C 73 178.568 178.568 176.166 2.402 25919 390 1 . 1 1 73 73 LEU CA C 73 54.468 54.468 54.024 0.444 25919 391 1 . 1 1 73 73 LEU CB C 73 42.050 42.050 41.774 0.276 25919 392 1 . 1 1 73 73 LEU H H 73 7.573 7.573 7.740 -0.167 25919 393 1 . 1 1 74 74 ASN N N 74 122.154 122.154 122.015 0.139 25919 394 1 . 1 1 74 74 ASN HA H 74 4.684 4.684 4.644 0.040 25919 395 1 . 1 1 74 74 ASN C C 74 174.122 174.122 176.394 -2.272 25919 396 1 . 1 1 74 74 ASN CA C 74 52.724 52.724 53.127 -0.403 25919 397 1 . 1 1 74 74 ASN CB C 74 39.579 39.579 40.222 -0.643 25919 398 1 . 1 1 74 74 ASN H H 74 8.949 8.949 8.252 0.697 25919 399 1 . 1 1 75 75 ALA N N 75 124.274 124.274 124.169 0.105 25919 400 1 . 1 1 75 75 ALA HA H 75 3.972 3.972 4.087 -0.115 25919 401 1 . 1 1 75 75 ALA C C 75 178.113 178.113 178.380 -0.267 25919 402 1 . 1 1 75 75 ALA CA C 75 54.900 54.900 54.595 0.305 25919 403 1 . 1 1 75 75 ALA CB C 75 18.708 18.708 18.747 -0.039 25919 404 1 . 1 1 75 75 ALA H H 75 8.690 8.690 8.635 0.055 25919 405 1 . 1 1 76 76 ASN N N 76 112.911 112.911 115.032 -2.121 25919 406 1 . 1 1 76 76 ASN HA H 76 4.589 4.589 4.613 -0.024 25919 407 1 . 1 1 76 76 ASN C C 76 175.515 175.515 175.624 -0.109 25919 408 1 . 1 1 76 76 ASN CA C 76 53.276 53.276 54.183 -0.906 25919 409 1 . 1 1 76 76 ASN CB C 76 38.343 38.343 38.687 -0.344 25919 410 1 . 1 1 76 76 ASN H H 76 8.340 8.340 8.194 0.147 25919 411 1 . 1 1 77 77 GLN N N 77 121.144 121.144 119.723 1.422 25919 412 1 . 1 1 77 77 GLN HA H 77 4.287 4.287 4.433 -0.146 25919 413 1 . 1 1 77 77 GLN C C 77 175.053 175.053 175.207 -0.154 25919 414 1 . 1 1 77 77 GLN CA C 77 55.856 55.856 54.896 0.960 25919 415 1 . 1 1 77 77 GLN CB C 77 30.320 30.320 29.299 1.021 25919 416 1 . 1 1 77 77 GLN H H 77 7.546 7.546 7.703 -0.157 25919 417 1 . 1 1 78 78 ALA N N 78 131.146 131.146 127.960 3.186 25919 418 1 . 1 1 78 78 ALA HA H 78 4.179 4.179 4.341 -0.162 25919 419 1 . 1 1 78 78 ALA C C 78 176.453 176.453 176.161 0.292 25919 420 1 . 1 1 78 78 ALA CA C 78 52.852 52.852 52.311 0.542 25919 421 1 . 1 1 78 78 ALA CB C 78 20.074 20.074 19.426 0.648 25919 422 1 . 1 1 78 78 ALA H H 78 8.730 8.730 8.556 0.174 25919 423 1 . 1 1 79 79 PHE N N 79 119.860 119.860 124.701 -4.841 25919 424 1 . 1 1 79 79 PHE HA H 79 4.453 4.453 5.189 -0.736 25919 425 1 . 1 1 79 79 PHE C C 79 171.834 171.834 172.985 -1.151 25919 426 1 . 1 1 79 79 PHE CA C 79 59.115 59.115 57.274 1.841 25919 427 1 . 1 1 79 79 PHE CB C 79 42.246 42.246 42.413 -0.167 25919 428 1 . 1 1 79 79 PHE H H 79 7.601 7.601 8.069 -0.468 25919 429 1 . 1 1 80 80 PHE N N 80 126.800 126.800 124.438 2.362 25919 430 1 . 1 1 80 80 PHE HA H 80 4.396 4.396 4.442 -0.046 25919 431 1 . 1 1 80 80 PHE C C 80 173.169 173.169 173.132 0.037 25919 432 1 . 1 1 80 80 PHE CA C 80 56.859 56.859 56.508 0.351 25919 433 1 . 1 1 80 80 PHE CB C 80 41.946 41.946 43.211 -1.265 25919 434 1 . 1 1 80 80 PHE H H 80 8.504 8.504 8.784 -0.280 25919 435 1 . 1 1 81 81 LEU N N 81 122.590 122.590 124.949 -2.359 25919 436 1 . 1 1 81 81 LEU HA H 81 4.902 4.902 4.720 0.182 25919 437 1 . 1 1 81 81 LEU CA C 81 53.108 53.108 54.083 -0.975 25919 438 1 . 1 1 81 81 LEU CB C 81 45.781 45.781 42.905 2.876 25919 439 1 . 1 1 81 81 LEU H H 81 8.159 8.159 8.432 -0.273 25919 440 1 . 1 1 82 82 LEU N N 82 126.414 126.414 126.981 -0.567 25919 441 1 . 1 1 82 82 LEU HA H 82 4.807 4.807 4.850 -0.043 25919 442 1 . 1 1 82 82 LEU C C 82 174.204 174.204 176.110 -1.906 25919 443 1 . 1 1 82 82 LEU CA C 82 54.200 54.200 53.548 0.652 25919 444 1 . 1 1 82 82 LEU CB C 82 43.650 43.650 42.771 0.879 25919 445 1 . 1 1 82 82 LEU H H 82 9.347 9.347 9.194 0.153 25919 446 1 . 1 1 83 83 VAL N N 83 123.910 123.910 124.162 -0.252 25919 447 1 . 1 1 83 83 VAL HA H 83 4.466 4.466 4.321 0.145 25919 448 1 . 1 1 83 83 VAL C C 83 175.891 175.891 176.569 -0.678 25919 449 1 . 1 1 83 83 VAL CA C 83 61.339 61.339 62.330 -0.991 25919 450 1 . 1 1 83 83 VAL CB C 83 34.013 34.013 32.171 1.842 25919 451 1 . 1 1 83 83 VAL H H 83 8.676 8.676 8.655 0.021 25919 452 1 . 1 1 84 84 ASN N N 84 127.149 127.149 127.581 -0.432 25919 453 1 . 1 1 84 84 ASN HA H 84 4.384 4.384 4.424 -0.040 25919 454 1 . 1 1 84 84 ASN CA C 84 54.494 54.494 54.287 0.207 25919 455 1 . 1 1 84 84 ASN CB C 84 37.933 37.933 37.212 0.721 25919 456 1 . 1 1 84 84 ASN H H 84 9.630 9.630 9.272 0.358 25919 457 1 . 1 1 85 85 GLY N N 85 101.905 101.905 103.088 -1.183 25919 458 1 . 1 1 85 85 GLY C C 85 175.112 175.112 173.342 1.770 25919 459 1 . 1 1 85 85 GLY CA C 85 45.624 45.624 45.469 0.155 25919 460 1 . 1 1 85 85 GLY H H 85 8.670 8.670 8.253 0.417 25919 461 1 . 1 1 86 86 HIS N N 86 117.905 117.905 119.436 -1.531 25919 462 1 . 1 1 86 86 HIS HA H 86 5.039 5.039 4.915 0.124 25919 463 1 . 1 1 86 86 HIS CA C 86 53.890 53.890 54.189 -0.299 25919 464 1 . 1 1 86 86 HIS CB C 86 30.888 30.888 32.475 -1.587 25919 465 1 . 1 1 86 86 HIS H H 86 7.927 7.927 7.919 0.008 25919 466 1 . 1 1 87 87 SER N N 87 118.646 118.646 118.820 -0.174 25919 467 1 . 1 1 87 87 SER HA H 87 4.397 4.397 4.389 0.008 25919 468 1 . 1 1 87 87 SER C C 87 175.275 175.275 174.670 0.605 25919 469 1 . 1 1 87 87 SER CA C 87 58.414 58.414 58.928 -0.514 25919 470 1 . 1 1 87 87 SER CB C 87 63.772 63.772 63.573 0.199 25919 471 1 . 1 1 87 87 SER H H 87 8.927 8.927 8.682 0.245 25919 472 1 . 1 1 88 88 MET N N 88 126.013 126.013 125.974 0.039 25919 473 1 . 1 1 88 88 MET HA H 88 4.851 4.851 4.749 0.101 25919 474 1 . 1 1 88 88 MET C C 88 178.796 178.796 176.816 1.980 25919 475 1 . 1 1 88 88 MET CA C 88 54.727 54.727 54.645 0.082 25919 476 1 . 1 1 88 88 MET CB C 88 33.309 33.309 33.075 0.234 25919 477 1 . 1 1 88 88 MET H H 88 9.088 9.088 8.819 0.269 25919 478 1 . 1 1 89 89 VAL N N 89 121.153 121.153 121.216 -0.063 25919 479 1 . 1 1 89 89 VAL HA H 89 4.057 4.057 3.725 0.332 25919 480 1 . 1 1 89 89 VAL C C 89 176.695 176.695 176.431 0.264 25919 481 1 . 1 1 89 89 VAL CA C 89 63.592 63.592 65.738 -2.146 25919 482 1 . 1 1 89 89 VAL CB C 89 32.422 32.422 31.384 1.038 25919 483 1 . 1 1 89 89 VAL H H 89 8.144 8.144 7.618 0.526 25919 484 1 . 1 1 90 90 SER N N 90 116.778 116.778 111.991 4.787 25919 485 1 . 1 1 90 90 SER HA H 90 4.561 4.561 4.434 0.127 25919 486 1 . 1 1 90 90 SER C C 90 173.898 173.898 174.689 -0.791 25919 487 1 . 1 1 90 90 SER CA C 90 57.895 57.895 58.142 -0.247 25919 488 1 . 1 1 90 90 SER CB C 90 63.133 63.133 63.426 -0.293 25919 489 1 . 1 1 90 90 SER H H 90 8.322 8.322 7.996 0.326 25919 490 1 . 1 1 91 91 VAL N N 91 120.735 120.735 123.485 -2.750 25919 491 1 . 1 1 91 91 VAL HA H 91 4.286 4.286 4.129 0.157 25919 492 1 . 1 1 91 91 VAL CA C 91 62.846 62.846 62.145 0.701 25919 493 1 . 1 1 91 91 VAL CB C 91 32.069 32.069 32.808 -0.739 25919 494 1 . 1 1 91 91 VAL H H 91 8.036 8.036 7.508 0.528 25919 495 1 . 1 1 92 92 SER N N 92 118.146 118.146 122.028 -3.882 25919 496 1 . 1 1 92 92 SER HA H 92 4.549 4.549 4.471 0.078 25919 497 1 . 1 1 92 92 SER CA C 92 57.813 57.813 58.462 -0.649 25919 498 1 . 1 1 92 92 SER CB C 92 63.488 63.488 63.334 0.154 25919 499 1 . 1 1 92 92 SER H H 92 8.470 8.470 8.646 -0.176 25919 500 1 . 1 1 93 93 THR N N 93 119.747 119.747 119.436 0.311 25919 501 1 . 1 1 93 93 THR HA H 93 4.467 4.467 4.402 0.065 25919 502 1 . 1 1 93 93 THR CA C 93 61.005 61.005 61.704 -0.699 25919 503 1 . 1 1 93 93 THR CB C 93 70.592 70.592 69.012 1.580 25919 504 1 . 1 1 93 93 THR H H 93 7.382 7.382 7.690 -0.308 25919 505 1 . 1 1 94 94 PRO HA H 94 4.424 4.424 4.511 -0.087 25919 506 1 . 1 1 94 94 PRO CA C 94 63.060 63.060 63.130 -0.069 25919 507 1 . 1 1 94 94 PRO CB C 94 32.798 32.798 32.309 0.489 25919 508 1 . 1 1 95 95 ILE N N 95 124.894 124.894 124.069 0.825 25919 509 1 . 1 1 95 95 ILE HA H 95 3.984 3.984 3.868 0.116 25919 510 1 . 1 1 95 95 ILE CA C 95 63.963 63.963 62.519 1.444 25919 511 1 . 1 1 95 95 ILE CB C 95 38.200 38.200 38.197 0.004 25919 512 1 . 1 1 95 95 ILE H H 95 9.358 9.358 8.728 0.630 25919 513 1 . 1 1 96 96 SER N N 96 117.523 117.523 115.969 1.554 25919 514 1 . 1 1 96 96 SER HA H 96 4.004 4.004 4.170 -0.166 25919 515 1 . 1 1 96 96 SER CA C 96 61.700 61.700 61.952 -0.252 25919 516 1 . 1 1 96 96 SER CB C 96 61.400 61.400 62.755 -1.355 25919 517 1 . 1 1 96 96 SER H H 96 8.202 8.202 8.039 0.163 25919 518 1 . 1 1 97 97 GLU N N 97 123.657 123.657 122.279 1.378 25919 519 1 . 1 1 97 97 GLU HA H 97 4.282 4.282 4.196 0.086 25919 520 1 . 1 1 97 97 GLU CA C 97 58.700 58.700 58.817 -0.117 25919 521 1 . 1 1 97 97 GLU CB C 97 29.800 29.800 29.341 0.459 25919 522 1 . 1 1 97 97 GLU H H 97 7.301 7.301 7.724 -0.423 25919 523 1 . 1 1 98 98 VAL N N 98 121.907 121.907 120.374 1.533 25919 524 1 . 1 1 98 98 VAL HA H 98 3.797 3.797 3.708 0.089 25919 525 1 . 1 1 98 98 VAL CA C 98 65.949 65.949 66.533 -0.584 25919 526 1 . 1 1 98 98 VAL CB C 98 32.186 32.186 31.357 0.829 25919 527 1 . 1 1 98 98 VAL H H 98 7.410 7.410 7.787 -0.377 25919 528 1 . 1 1 99 99 TYR N N 99 119.526 119.526 121.396 -1.870 25919 529 1 . 1 1 99 99 TYR HA H 99 4.016 4.016 4.012 0.004 25919 530 1 . 1 1 99 99 TYR C C 99 175.741 175.741 177.340 -1.599 25919 531 1 . 1 1 99 99 TYR CA C 99 62.229 62.229 61.894 0.335 25919 532 1 . 1 1 99 99 TYR CB C 99 38.967 38.967 38.474 0.493 25919 533 1 . 1 1 99 99 TYR H H 99 9.071 9.071 8.505 0.566 25919 534 1 . 1 1 100 100 GLU N N 100 114.405 114.405 117.339 -2.934 25919 535 1 . 1 1 100 100 GLU HA H 100 3.850 3.850 3.686 0.164 25919 536 1 . 1 1 100 100 GLU C C 100 178.094 178.094 178.575 -0.481 25919 537 1 . 1 1 100 100 GLU CA C 100 58.920 58.920 58.596 0.324 25919 538 1 . 1 1 100 100 GLU CB C 100 29.481 29.481 29.165 0.316 25919 539 1 . 1 1 100 100 GLU H H 100 7.342 7.342 8.218 -0.876 25919 540 1 . 1 1 101 101 SER N N 101 109.656 109.656 113.806 -4.150 25919 541 1 . 1 1 101 101 SER HA H 101 4.529 4.529 4.357 0.172 25919 542 1 . 1 1 101 101 SER C C 101 176.681 176.681 175.766 0.915 25919 543 1 . 1 1 101 101 SER CA C 101 60.313 60.313 60.557 -0.244 25919 544 1 . 1 1 101 101 SER CB C 101 64.703 64.703 63.784 0.919 25919 545 1 . 1 1 101 101 SER H H 101 7.410 7.410 7.784 -0.374 25919 546 1 . 1 1 102 102 GLU N N 102 117.283 117.283 118.695 -1.412 25919 547 1 . 1 1 102 102 GLU HA H 102 4.721 4.721 4.631 0.090 25919 548 1 . 1 1 102 102 GLU CA C 102 55.592 55.592 55.113 0.479 25919 549 1 . 1 1 102 102 GLU CB C 102 30.564 30.564 30.409 0.155 25919 550 1 . 1 1 102 102 GLU H H 102 8.500 8.500 8.007 0.493 25919 551 1 . 1 1 103 103 LYS N N 103 118.772 118.772 120.610 -1.838 25919 552 1 . 1 1 103 103 LYS HA H 103 4.179 4.179 4.242 -0.063 25919 553 1 . 1 1 103 103 LYS C C 103 175.032 175.032 176.394 -1.362 25919 554 1 . 1 1 103 103 LYS CA C 103 57.154 57.154 57.021 0.133 25919 555 1 . 1 1 103 103 LYS CB C 103 32.238 32.238 32.448 -0.210 25919 556 1 . 1 1 103 103 LYS H H 103 7.777 7.777 7.626 0.151 25919 557 1 . 1 1 104 104 ASP N N 104 124.024 124.024 125.644 -1.620 25919 558 1 . 1 1 104 104 ASP HA H 104 5.032 5.032 4.746 0.286 25919 559 1 . 1 1 104 104 ASP C C 104 177.548 177.548 177.528 0.020 25919 560 1 . 1 1 104 104 ASP CA C 104 53.882 53.882 53.047 0.835 25919 561 1 . 1 1 104 104 ASP CB C 104 43.420 43.420 42.799 0.621 25919 562 1 . 1 1 104 104 ASP H H 104 9.030 9.030 8.704 0.326 25919 563 1 . 1 1 105 105 GLU N N 105 125.669 125.669 120.129 5.540 25919 564 1 . 1 1 105 105 GLU HA H 105 4.179 4.179 4.140 0.039 25919 565 1 . 1 1 105 105 GLU CA C 105 59.526 59.526 58.985 0.541 25919 566 1 . 1 1 105 105 GLU CB C 105 30.036 30.036 29.595 0.441 25919 567 1 . 1 1 105 105 GLU H H 105 8.894 8.894 8.826 0.068 25919 568 1 . 1 1 106 106 ASP N N 106 119.257 119.257 115.982 3.275 25919 569 1 . 1 1 106 106 ASP HA H 106 4.180 4.180 4.650 -0.471 25919 570 1 . 1 1 106 106 ASP C C 106 176.018 176.018 176.624 -0.606 25919 571 1 . 1 1 106 106 ASP CA C 106 54.750 54.750 54.190 0.560 25919 572 1 . 1 1 106 106 ASP CB C 106 40.250 40.250 41.060 -0.810 25919 573 1 . 1 1 106 106 ASP H H 106 9.838 9.838 8.273 1.565 25919 574 1 . 1 1 107 107 GLY N N 107 106.307 106.307 107.129 -0.822 25919 575 1 . 1 1 107 107 GLY CA C 107 45.125 45.125 45.229 -0.104 25919 576 1 . 1 1 107 107 GLY H H 107 7.945 7.945 8.029 -0.084 25919 577 1 . 1 1 108 108 PHE N N 108 124.389 124.389 118.636 5.753 25919 578 1 . 1 1 108 108 PHE HA H 108 4.670 4.670 4.683 -0.013 25919 579 1 . 1 1 108 108 PHE C C 108 179.501 179.501 175.000 4.502 25919 580 1 . 1 1 108 108 PHE CA C 108 60.288 60.288 58.133 2.155 25919 581 1 . 1 1 108 108 PHE CB C 108 40.506 40.506 40.030 0.476 25919 582 1 . 1 1 108 108 PHE H H 108 9.739 9.739 7.992 1.747 25919 583 1 . 1 1 109 109 LEU N N 109 120.814 120.814 121.883 -1.069 25919 584 1 . 1 1 109 109 LEU HA H 109 5.038 5.038 4.801 0.237 25919 585 1 . 1 1 109 109 LEU CA C 109 53.479 53.479 54.005 -0.526 25919 586 1 . 1 1 109 109 LEU CB C 109 45.197 45.197 43.758 1.439 25919 587 1 . 1 1 109 109 LEU H H 109 7.968 7.968 8.612 -0.644 25919 588 1 . 1 1 110 110 TYR N N 110 127.403 127.403 126.142 1.261 25919 589 1 . 1 1 110 110 TYR HA H 110 4.907 4.907 4.853 0.054 25919 590 1 . 1 1 110 110 TYR CA C 110 59.259 59.259 58.208 1.051 25919 591 1 . 1 1 110 110 TYR CB C 110 39.469 39.469 39.993 -0.524 25919 592 1 . 1 1 110 110 TYR H H 110 9.349 9.349 8.624 0.725 25919 593 1 . 1 1 111 111 MET N N 111 120.344 120.344 122.781 -2.437 25919 594 1 . 1 1 111 111 MET HA H 111 5.543 5.543 5.293 0.250 25919 595 1 . 1 1 111 111 MET CA C 111 54.341 54.341 54.433 -0.092 25919 596 1 . 1 1 111 111 MET CB C 111 36.894 36.894 36.316 0.578 25919 597 1 . 1 1 111 111 MET H H 111 9.575 9.575 9.021 0.554 25919 598 1 . 1 1 112 112 VAL N N 112 121.026 121.026 120.623 0.403 25919 599 1 . 1 1 112 112 VAL HA H 112 5.938 5.938 5.169 0.769 25919 600 1 . 1 1 112 112 VAL C C 112 176.696 176.696 174.552 2.144 25919 601 1 . 1 1 112 112 VAL CA C 112 59.068 59.068 60.244 -1.176 25919 602 1 . 1 1 112 112 VAL CB C 112 36.180 36.180 34.453 1.727 25919 603 1 . 1 1 112 112 VAL H H 112 8.730 8.730 9.009 -0.279 25919 604 1 . 1 1 113 113 TYR N N 113 119.995 119.995 123.882 -3.887 25919 605 1 . 1 1 113 113 TYR HA H 113 6.143 6.143 5.648 0.495 25919 606 1 . 1 1 113 113 TYR C C 113 173.533 173.533 173.461 0.072 25919 607 1 . 1 1 113 113 TYR CA C 113 54.165 54.165 55.304 -1.139 25919 608 1 . 1 1 113 113 TYR CB C 113 43.667 43.667 41.219 2.448 25919 609 1 . 1 1 113 113 TYR H H 113 8.172 8.172 8.983 -0.811 25919 610 1 . 1 1 114 114 ALA N N 114 120.454 120.454 126.218 -5.764 25919 611 1 . 1 1 114 114 ALA HA H 114 4.750 4.750 4.914 -0.164 25919 612 1 . 1 1 114 114 ALA C C 114 176.007 176.007 176.048 -0.041 25919 613 1 . 1 1 114 114 ALA CA C 114 51.356 51.356 51.146 0.210 25919 614 1 . 1 1 114 114 ALA CB C 114 24.623 24.623 22.090 2.533 25919 615 1 . 1 1 114 114 ALA H H 114 8.499 8.499 8.752 -0.253 25919 616 1 . 1 1 115 115 SER N N 115 115.279 115.279 114.099 1.180 25919 617 1 . 1 1 115 115 SER HA H 115 4.505 4.505 4.766 -0.261 25919 618 1 . 1 1 115 115 SER C C 115 172.860 172.860 174.307 -1.447 25919 619 1 . 1 1 115 115 SER CA C 115 58.837 58.837 59.515 -0.678 25919 620 1 . 1 1 115 115 SER CB C 115 63.798 63.798 63.641 0.157 25919 621 1 . 1 1 115 115 SER H H 115 9.823 9.823 9.011 0.812 25919 622 1 . 1 1 116 116 GLN N N 116 117.398 117.398 118.099 -0.701 25919 623 1 . 1 1 116 116 GLN HA H 116 4.453 4.453 4.292 0.161 25919 624 1 . 1 1 116 116 GLN C C 116 173.181 173.181 174.261 -1.080 25919 625 1 . 1 1 116 116 GLN CA C 116 54.024 54.024 54.545 -0.521 25919 626 1 . 1 1 116 116 GLN CB C 116 32.179 32.179 30.543 1.636 25919 627 1 . 1 1 116 116 GLN H H 116 7.165 7.165 7.440 -0.275 25919 628 1 . 1 1 117 117 GLU N N 117 118.885 118.885 119.344 -0.459 25919 629 1 . 1 1 117 117 GLU HA H 117 3.224 3.224 3.550 -0.326 25919 630 1 . 1 1 117 117 GLU C C 117 175.451 175.451 175.701 -0.250 25919 631 1 . 1 1 117 117 GLU CA C 117 56.917 56.917 57.564 -0.647 25919 632 1 . 1 1 117 117 GLU CB C 117 30.206 30.206 29.587 0.619 25919 633 1 . 1 1 117 117 GLU H H 117 7.873 7.873 8.247 -0.374 25919 634 1 . 1 1 118 118 THR N N 118 110.883 110.883 109.789 1.094 25919 635 1 . 1 1 118 118 THR HA H 118 4.074 4.074 4.202 -0.128 25919 636 1 . 1 1 118 118 THR C C 118 173.234 173.234 173.442 -0.208 25919 637 1 . 1 1 118 118 THR CA C 118 60.300 60.300 60.811 -0.511 25919 638 1 . 1 1 118 118 THR CB C 118 70.118 70.118 70.119 -0.001 25919 639 1 . 1 1 118 118 THR H H 118 6.988 6.988 7.225 -0.237 25919 640 1 . 1 1 119 119 PHE N N 119 122.773 122.773 121.245 1.528 25919 641 1 . 1 1 119 119 PHE HA H 119 4.397 4.397 4.635 -0.238 25919 642 1 . 1 1 119 119 PHE C C 119 175.045 175.045 175.628 -0.583 25919 643 1 . 1 1 119 119 PHE CA C 119 56.810 56.810 57.353 -0.543 25919 644 1 . 1 1 119 119 PHE CB C 119 39.349 39.349 39.543 -0.194 25919 645 1 . 1 1 119 119 PHE H H 119 8.122 8.122 8.124 -0.002 25919 stop_ save_