data_19045 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19045 _Entry.PDB_ID 2M5B 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 19045 _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 19 19 LEU N N 19 122.834 122.834 123.067 -0.233 19045 2 1 1 . 1 1 19 19 LEU HA H 19 4.523 4.523 4.780 -0.257 19045 3 1 1 . 1 1 19 19 LEU CA C 19 52.690 52.690 53.872 -1.182 19045 4 1 1 . 1 1 19 19 LEU CB C 19 41.808 41.808 40.893 0.915 19045 5 1 1 . 1 1 19 19 LEU H H 19 8.080 8.080 8.296 -0.216 19045 6 1 1 . 1 1 20 20 PRO HA H 20 4.353 4.353 4.530 -0.177 19045 7 1 1 . 1 1 20 20 PRO CA C 20 62.826 62.826 62.518 0.308 19045 8 1 1 . 1 1 20 20 PRO CB C 20 31.969 31.969 32.318 -0.349 19045 9 1 1 . 1 1 21 21 SER N N 21 116.268 116.268 114.911 1.357 19045 10 1 1 . 1 1 21 21 SER HA H 21 4.249 4.249 4.097 0.152 19045 11 1 1 . 1 1 21 21 SER CA C 21 58.338 58.338 58.999 -0.661 19045 12 1 1 . 1 1 21 21 SER CB C 21 63.856 63.856 63.418 0.438 19045 13 1 1 . 1 1 21 21 SER H H 21 8.246 8.246 8.458 -0.212 19045 14 1 1 . 1 1 22 22 ALA N N 22 125.246 125.246 123.943 1.303 19045 15 1 1 . 1 1 22 22 ALA HA H 22 4.405 4.405 4.495 -0.090 19045 16 1 1 . 1 1 22 22 ALA CA C 22 52.086 52.086 51.754 0.332 19045 17 1 1 . 1 1 22 22 ALA CB C 22 19.582 19.582 21.262 -1.680 19045 18 1 1 . 1 1 22 22 ALA H H 22 8.192 8.192 8.281 -0.089 19045 19 1 1 . 1 1 23 23 SER N N 23 114.236 114.236 115.805 -1.569 19045 20 1 1 . 1 1 23 23 SER HA H 23 4.469 4.469 4.819 -0.350 19045 21 1 1 . 1 1 23 23 SER CA C 23 57.386 57.386 57.036 0.350 19045 22 1 1 . 1 1 23 23 SER CB C 23 64.582 64.582 65.701 -1.119 19045 23 1 1 . 1 1 23 23 SER H H 23 8.081 8.081 8.437 -0.356 19045 24 1 1 . 1 1 24 24 GLU N N 24 124.005 124.005 123.471 0.534 19045 25 1 1 . 1 1 24 24 GLU HA H 24 3.534 3.534 3.926 -0.392 19045 26 1 1 . 1 1 24 24 GLU CA C 24 59.772 59.772 60.271 -0.499 19045 27 1 1 . 1 1 24 24 GLU CB C 24 29.798 29.798 29.435 0.363 19045 28 1 1 . 1 1 24 24 GLU H H 24 8.702 8.702 9.096 -0.394 19045 29 1 1 . 1 1 25 25 GLU N N 25 118.390 118.390 117.136 1.254 19045 30 1 1 . 1 1 25 25 GLU HA H 25 3.796 3.796 3.982 -0.186 19045 31 1 1 . 1 1 25 25 GLU CA C 25 59.939 59.939 59.488 0.451 19045 32 1 1 . 1 1 25 25 GLU CB C 25 29.217 29.217 29.125 0.092 19045 33 1 1 . 1 1 25 25 GLU H H 25 8.559 8.559 8.841 -0.282 19045 34 1 1 . 1 1 26 26 GLN N N 26 120.776 120.776 118.370 2.406 19045 35 1 1 . 1 1 26 26 GLN HA H 26 3.916 3.916 4.223 -0.307 19045 36 1 1 . 1 1 26 26 GLN CA C 26 58.343 58.343 58.504 -0.161 19045 37 1 1 . 1 1 26 26 GLN CB C 26 28.119 28.119 27.954 0.165 19045 38 1 1 . 1 1 26 26 GLN H H 26 7.764 7.764 7.725 0.039 19045 39 1 1 . 1 1 27 27 VAL N N 27 118.723 118.723 121.539 -2.816 19045 40 1 1 . 1 1 27 27 VAL HA H 27 3.933 3.933 3.828 0.105 19045 41 1 1 . 1 1 27 27 VAL CA C 27 66.285 66.285 66.363 -0.078 19045 42 1 1 . 1 1 27 27 VAL CB C 27 31.596 31.596 30.907 0.689 19045 43 1 1 . 1 1 27 27 VAL H H 27 8.062 8.062 8.243 -0.181 19045 44 1 1 . 1 1 28 28 ALA N N 28 122.902 122.902 122.001 0.901 19045 45 1 1 . 1 1 28 28 ALA HA H 28 4.026 4.026 3.975 0.051 19045 46 1 1 . 1 1 28 28 ALA CA C 28 56.178 56.178 55.578 0.600 19045 47 1 1 . 1 1 28 28 ALA CB C 28 18.463 18.463 18.111 0.352 19045 48 1 1 . 1 1 28 28 ALA H H 28 8.412 8.412 8.292 0.120 19045 49 1 1 . 1 1 29 29 GLN N N 29 117.996 117.996 118.779 -0.783 19045 50 1 1 . 1 1 29 29 GLN HA H 29 4.084 4.084 4.201 -0.117 19045 51 1 1 . 1 1 29 29 GLN CA C 29 59.063 59.063 58.834 0.229 19045 52 1 1 . 1 1 29 29 GLN CB C 29 28.452 28.452 28.717 -0.265 19045 53 1 1 . 1 1 29 29 GLN H H 29 7.900 7.900 7.897 0.003 19045 54 1 1 . 1 1 30 30 ASP N N 30 121.907 121.907 118.540 3.367 19045 55 1 1 . 1 1 30 30 ASP HA H 30 4.521 4.521 4.541 -0.020 19045 56 1 1 . 1 1 30 30 ASP CA C 30 57.038 57.038 56.901 0.137 19045 57 1 1 . 1 1 30 30 ASP CB C 30 41.939 41.939 40.336 1.603 19045 58 1 1 . 1 1 30 30 ASP H H 30 8.888 8.888 8.235 0.653 19045 59 1 1 . 1 1 31 31 THR N N 31 114.861 114.861 116.732 -1.871 19045 60 1 1 . 1 1 31 31 THR HA H 31 3.493 3.493 3.472 0.021 19045 61 1 1 . 1 1 31 31 THR CA C 31 66.946 66.946 67.147 -0.201 19045 62 1 1 . 1 1 31 31 THR CB C 31 68.523 68.523 68.989 -0.466 19045 63 1 1 . 1 1 31 31 THR H H 31 8.069 8.069 8.222 -0.153 19045 64 1 1 . 1 1 32 32 GLU N N 32 120.848 120.848 120.905 -0.057 19045 65 1 1 . 1 1 32 32 GLU HA H 32 3.597 3.597 3.921 -0.324 19045 66 1 1 . 1 1 32 32 GLU CA C 32 60.899 60.899 59.712 1.187 19045 67 1 1 . 1 1 32 32 GLU CB C 32 28.963 28.963 28.651 0.312 19045 68 1 1 . 1 1 32 32 GLU H H 32 7.578 7.578 8.134 -0.556 19045 69 1 1 . 1 1 33 33 GLU N N 33 117.741 117.741 120.556 -2.815 19045 70 1 1 . 1 1 33 33 GLU HA H 33 3.938 3.938 3.961 -0.023 19045 71 1 1 . 1 1 33 33 GLU CA C 33 58.768 58.768 59.318 -0.550 19045 72 1 1 . 1 1 33 33 GLU CB C 33 29.708 29.708 29.679 0.029 19045 73 1 1 . 1 1 33 33 GLU H H 33 7.446 7.446 7.835 -0.389 19045 74 1 1 . 1 1 34 34 VAL N N 34 120.239 120.239 119.566 0.673 19045 75 1 1 . 1 1 34 34 VAL HA H 34 3.108 3.108 3.661 -0.553 19045 76 1 1 . 1 1 34 34 VAL CA C 34 66.979 66.979 66.337 0.642 19045 77 1 1 . 1 1 34 34 VAL CB C 34 31.884 31.884 30.968 0.916 19045 78 1 1 . 1 1 34 34 VAL H H 34 7.792 7.792 8.052 -0.260 19045 79 1 1 . 1 1 35 35 PHE N N 35 117.559 117.559 121.168 -3.609 19045 80 1 1 . 1 1 35 35 PHE HA H 35 4.209 4.209 4.135 0.074 19045 81 1 1 . 1 1 35 35 PHE CA C 35 61.592 61.592 61.689 -0.097 19045 82 1 1 . 1 1 35 35 PHE CB C 35 39.066 39.066 38.969 0.097 19045 83 1 1 . 1 1 35 35 PHE H H 35 8.895 8.895 8.276 0.619 19045 84 1 1 . 1 1 36 36 ARG N N 36 116.705 116.705 118.493 -1.788 19045 85 1 1 . 1 1 36 36 ARG HA H 36 3.555 3.555 3.345 0.210 19045 86 1 1 . 1 1 36 36 ARG CA C 36 59.906 59.906 59.400 0.506 19045 87 1 1 . 1 1 36 36 ARG CB C 36 29.654 29.654 29.628 0.026 19045 88 1 1 . 1 1 36 36 ARG H H 36 8.182 8.182 8.064 0.118 19045 89 1 1 . 1 1 37 37 SER N N 37 112.628 112.628 115.952 -3.324 19045 90 1 1 . 1 1 37 37 SER HA H 37 4.122 4.122 3.972 0.150 19045 91 1 1 . 1 1 37 37 SER CA C 37 61.258 61.258 61.809 -0.551 19045 92 1 1 . 1 1 37 37 SER CB C 37 63.089 63.089 63.281 -0.192 19045 93 1 1 . 1 1 37 37 SER H H 37 7.845 7.845 8.086 -0.241 19045 94 1 1 . 1 1 38 38 TYR N N 38 122.458 122.458 124.043 -1.585 19045 95 1 1 . 1 1 38 38 TYR HA H 38 3.927 3.927 4.189 -0.262 19045 96 1 1 . 1 1 38 38 TYR CA C 38 62.006 62.006 62.011 -0.005 19045 97 1 1 . 1 1 38 38 TYR CB C 38 38.892 38.892 38.476 0.416 19045 98 1 1 . 1 1 38 38 TYR H H 38 8.793 8.793 8.325 0.468 19045 99 1 1 . 1 1 39 39 VAL N N 39 115.951 115.951 116.546 -0.595 19045 100 1 1 . 1 1 39 39 VAL HA H 39 3.209 3.209 3.280 -0.071 19045 101 1 1 . 1 1 39 39 VAL CA C 39 65.982 65.982 65.742 0.240 19045 102 1 1 . 1 1 39 39 VAL CB C 39 30.884 30.884 30.950 -0.066 19045 103 1 1 . 1 1 39 39 VAL H H 39 8.348 8.348 7.909 0.439 19045 104 1 1 . 1 1 40 40 PHE N N 40 119.608 119.608 122.086 -2.478 19045 105 1 1 . 1 1 40 40 PHE HA H 40 3.915 3.915 3.872 0.043 19045 106 1 1 . 1 1 40 40 PHE CA C 40 61.651 61.651 61.692 -0.041 19045 107 1 1 . 1 1 40 40 PHE CB C 40 39.411 39.411 38.958 0.453 19045 108 1 1 . 1 1 40 40 PHE H H 40 7.596 7.596 7.606 -0.010 19045 109 1 1 . 1 1 41 41 TYR N N 41 117.686 117.686 119.781 -2.095 19045 110 1 1 . 1 1 41 41 TYR HA H 41 3.818 3.818 3.843 -0.025 19045 111 1 1 . 1 1 41 41 TYR CA C 41 63.446 63.446 60.543 2.903 19045 112 1 1 . 1 1 41 41 TYR CB C 41 37.528 37.528 37.878 -0.350 19045 113 1 1 . 1 1 41 41 TYR H H 41 8.578 8.578 8.154 0.424 19045 114 1 1 . 1 1 42 42 ARG N N 42 121.382 121.382 119.402 1.980 19045 115 1 1 . 1 1 42 42 ARG HA H 42 3.581 3.581 3.748 -0.167 19045 116 1 1 . 1 1 42 42 ARG CA C 42 57.999 57.999 59.869 -1.870 19045 117 1 1 . 1 1 42 42 ARG CB C 42 26.992 26.992 29.991 -2.998 19045 118 1 1 . 1 1 42 42 ARG H H 42 8.784 8.784 7.993 0.791 19045 119 1 1 . 1 1 43 43 HIS N N 43 118.684 118.684 117.571 1.113 19045 120 1 1 . 1 1 43 43 HIS HA H 43 4.291 4.291 4.448 -0.157 19045 121 1 1 . 1 1 43 43 HIS CA C 43 60.041 60.041 59.373 0.668 19045 122 1 1 . 1 1 43 43 HIS CB C 43 27.938 27.938 29.767 -1.829 19045 123 1 1 . 1 1 43 43 HIS H H 43 8.268 8.268 8.164 0.104 19045 124 1 1 . 1 1 44 44 GLN N N 44 117.841 117.841 120.278 -2.437 19045 125 1 1 . 1 1 44 44 GLN HA H 44 3.638 3.638 3.926 -0.288 19045 126 1 1 . 1 1 44 44 GLN CA C 44 58.681 58.681 59.346 -0.665 19045 127 1 1 . 1 1 44 44 GLN CB C 44 28.977 28.977 28.103 0.874 19045 128 1 1 . 1 1 44 44 GLN H H 44 7.722 7.722 7.879 -0.157 19045 129 1 1 . 1 1 45 45 GLN N N 45 117.756 117.756 117.473 0.283 19045 130 1 1 . 1 1 45 45 GLN HA H 45 3.932 3.932 4.039 -0.107 19045 131 1 1 . 1 1 45 45 GLN CA C 45 57.923 57.923 58.380 -0.457 19045 132 1 1 . 1 1 45 45 GLN CB C 45 28.039 28.039 28.615 -0.576 19045 133 1 1 . 1 1 45 45 GLN H H 45 7.808 7.808 7.990 -0.182 19045 134 1 1 . 1 1 46 46 GLU N N 46 119.876 119.876 119.920 -0.044 19045 135 1 1 . 1 1 46 46 GLU HA H 46 3.951 3.951 4.009 -0.058 19045 136 1 1 . 1 1 46 46 GLU CA C 46 58.956 58.956 59.120 -0.164 19045 137 1 1 . 1 1 46 46 GLU CB C 46 29.166 29.166 29.411 -0.245 19045 138 1 1 . 1 1 46 46 GLU H H 46 7.781 7.781 7.492 0.289 19045 139 1 1 . 1 1 47 47 GLN N N 47 118.282 118.282 116.606 1.676 19045 140 1 1 . 1 1 47 47 GLN HA H 47 3.800 3.800 4.194 -0.394 19045 141 1 1 . 1 1 47 47 GLN CA C 47 57.892 57.892 58.245 -0.353 19045 142 1 1 . 1 1 47 47 GLN CB C 47 28.662 28.662 28.436 0.226 19045 143 1 1 . 1 1 47 47 GLN H H 47 7.775 7.775 7.867 -0.092 19045 144 1 1 . 1 1 48 48 GLU N N 48 118.519 118.519 118.751 -0.232 19045 145 1 1 . 1 1 48 48 GLU HA H 48 4.009 4.009 4.153 -0.144 19045 146 1 1 . 1 1 48 48 GLU CA C 48 57.586 57.586 58.495 -0.909 19045 147 1 1 . 1 1 48 48 GLU CB C 48 28.922 28.922 29.409 -0.486 19045 148 1 1 . 1 1 48 48 GLU H H 48 7.721 7.721 7.755 -0.034 19045 149 1 1 . 1 1 49 49 ALA N N 49 121.657 121.657 121.827 -0.170 19045 150 1 1 . 1 1 49 49 ALA HA H 49 4.140 4.140 4.215 -0.075 19045 151 1 1 . 1 1 49 49 ALA CA C 49 53.389 53.389 53.540 -0.151 19045 152 1 1 . 1 1 49 49 ALA CB C 49 19.111 19.111 19.286 -0.175 19045 153 1 1 . 1 1 49 49 ALA H H 49 7.675 7.675 7.699 -0.024 19045 154 1 1 . 1 1 50 50 GLU N N 50 116.803 116.803 114.515 2.288 19045 155 1 1 . 1 1 50 50 GLU HA H 50 4.182 4.182 4.542 -0.360 19045 156 1 1 . 1 1 50 50 GLU CA C 50 56.420 56.420 54.897 1.523 19045 157 1 1 . 1 1 50 50 GLU CB C 50 29.798 29.798 33.452 -3.654 19045 158 1 1 . 1 1 50 50 GLU H H 50 8.106 8.106 8.365 -0.259 19045 159 1 1 . 1 1 51 51 GLY N N 51 109.812 109.812 107.047 2.765 19045 160 1 1 . 1 1 51 51 GLY CA C 51 45.739 45.739 44.801 0.938 19045 161 1 1 . 1 1 51 51 GLY H H 51 8.060 8.060 8.595 -0.535 19045 162 1 1 . 1 1 52 52 VAL N N 52 118.668 118.668 119.139 -0.471 19045 163 1 1 . 1 1 52 52 VAL HA H 52 4.001 4.001 3.946 0.055 19045 164 1 1 . 1 1 52 52 VAL CA C 52 62.175 62.175 62.851 -0.676 19045 165 1 1 . 1 1 52 52 VAL CB C 52 32.294 32.294 31.128 1.166 19045 166 1 1 . 1 1 52 52 VAL H H 52 7.718 7.718 7.471 0.247 19045 167 1 1 . 1 1 53 53 ALA N N 53 125.624 125.624 124.919 0.705 19045 168 1 1 . 1 1 53 53 ALA HA H 53 4.220 4.220 3.887 0.333 19045 169 1 1 . 1 1 53 53 ALA CA C 53 51.869 51.869 52.733 -0.864 19045 170 1 1 . 1 1 53 53 ALA CB C 53 19.065 19.065 17.325 1.740 19045 171 1 1 . 1 1 53 53 ALA H H 53 8.073 8.073 8.621 -0.548 19045 172 1 1 . 1 1 54 54 ALA N N 54 123.638 123.638 122.098 1.540 19045 173 1 1 . 1 1 54 54 ALA HA H 54 4.472 4.472 4.483 -0.011 19045 174 1 1 . 1 1 54 54 ALA CA C 54 49.869 49.869 51.271 -1.402 19045 175 1 1 . 1 1 54 54 ALA CB C 54 18.488 18.488 19.059 -0.571 19045 176 1 1 . 1 1 54 54 ALA H H 54 7.718 7.718 7.520 0.198 19045 177 1 1 . 1 1 55 55 PRO HA H 55 4.292 4.292 4.436 -0.144 19045 178 1 1 . 1 1 55 55 PRO CA C 55 62.966 62.966 62.590 0.376 19045 179 1 1 . 1 1 55 55 PRO CB C 55 31.754 31.754 32.418 -0.664 19045 180 1 1 . 1 1 56 56 ALA N N 56 124.218 124.218 122.578 1.640 19045 181 1 1 . 1 1 56 56 ALA HA H 56 4.220 4.220 4.436 -0.216 19045 182 1 1 . 1 1 56 56 ALA CB C 56 19.119 19.119 17.732 1.387 19045 183 1 1 . 1 1 56 56 ALA H H 56 8.259 8.259 8.466 -0.207 19045 184 1 1 . 1 1 57 57 ASP N N 57 120.884 120.884 117.435 3.449 19045 185 1 1 . 1 1 57 57 ASP HA H 57 4.572 4.572 4.480 0.092 19045 186 1 1 . 1 1 57 57 ASP CA C 57 52.742 52.742 54.421 -1.679 19045 187 1 1 . 1 1 57 57 ASP CB C 57 41.642 41.642 39.534 2.108 19045 188 1 1 . 1 1 57 57 ASP H H 57 7.829 7.829 7.430 0.399 19045 189 1 1 . 1 1 58 58 PRO HA H 58 4.052 4.052 4.390 -0.338 19045 190 1 1 . 1 1 58 58 PRO CA C 58 64.128 64.128 63.425 0.703 19045 191 1 1 . 1 1 58 58 PRO CB C 58 31.989 31.989 31.281 0.708 19045 192 1 1 . 1 1 59 59 GLU HA H 59 4.549 4.549 4.438 0.111 19045 193 1 1 . 1 1 59 59 GLU CA C 59 54.266 54.266 55.302 -1.036 19045 194 1 1 . 1 1 59 59 GLU CB C 59 29.285 29.285 32.647 -3.362 19045 195 1 1 . 1 1 60 60 MET HA H 60 3.846 3.846 4.266 -0.420 19045 196 1 1 . 1 1 60 60 MET CA C 60 57.219 57.219 58.451 -1.232 19045 197 1 1 . 1 1 60 60 MET CB C 60 31.894 31.894 32.438 -0.544 19045 198 1 1 . 1 1 60 60 MET H H 60 7.070 7.070 8.930 -1.860 19045 199 1 1 . 1 1 61 61 VAL N N 61 113.014 113.014 114.833 -1.819 19045 200 1 1 . 1 1 61 61 VAL HA H 61 4.051 4.051 4.110 -0.059 19045 201 1 1 . 1 1 61 61 VAL CA C 61 62.799 62.799 62.173 0.625 19045 202 1 1 . 1 1 61 61 VAL CB C 61 31.993 31.993 31.216 0.777 19045 203 1 1 . 1 1 61 61 VAL H H 61 6.833 6.833 7.792 -0.959 19045 204 1 1 . 1 1 62 62 THR N N 62 110.188 110.188 115.402 -5.214 19045 205 1 1 . 1 1 62 62 THR HA H 62 4.230 4.230 4.134 0.096 19045 206 1 1 . 1 1 62 62 THR CA C 62 60.947 60.947 63.075 -2.128 19045 207 1 1 . 1 1 62 62 THR CB C 62 69.192 69.192 69.665 -0.473 19045 208 1 1 . 1 1 62 62 THR H H 62 7.101 7.101 7.676 -0.575 19045 209 1 1 . 1 1 63 63 LEU N N 63 125.158 125.158 123.443 1.715 19045 210 1 1 . 1 1 63 63 LEU HA H 63 4.205 4.205 4.725 -0.520 19045 211 1 1 . 1 1 63 63 LEU CA C 63 52.688 52.688 51.460 1.228 19045 212 1 1 . 1 1 63 63 LEU CB C 63 42.252 42.252 43.373 -1.121 19045 213 1 1 . 1 1 63 63 LEU H H 63 7.079 7.079 8.342 -1.263 19045 214 1 1 . 1 1 64 64 PRO HA H 64 4.282 4.282 4.263 0.019 19045 215 1 1 . 1 1 64 64 PRO CA C 64 62.613 62.613 62.535 0.078 19045 216 1 1 . 1 1 64 64 PRO CB C 64 30.705 30.705 29.883 0.823 19045 217 1 1 . 1 1 65 65 LEU N N 65 122.384 122.384 120.171 2.213 19045 218 1 1 . 1 1 65 65 LEU HA H 65 4.234 4.234 4.476 -0.242 19045 219 1 1 . 1 1 65 65 LEU CA C 65 54.499 54.499 54.012 0.487 19045 220 1 1 . 1 1 65 65 LEU CB C 65 43.438 43.438 42.284 1.154 19045 221 1 1 . 1 1 65 65 LEU H H 65 7.653 7.653 7.515 0.138 19045 222 1 1 . 1 1 66 66 GLN N N 66 121.802 121.802 119.039 2.763 19045 223 1 1 . 1 1 66 66 GLN HA H 66 4.209 4.209 4.723 -0.514 19045 224 1 1 . 1 1 66 66 GLN CA C 66 52.783 52.783 52.585 0.198 19045 225 1 1 . 1 1 66 66 GLN CB C 66 28.136 28.136 28.905 -0.769 19045 226 1 1 . 1 1 66 66 GLN H H 66 8.634 8.634 8.650 -0.016 19045 227 1 1 . 1 1 67 67 PRO HA H 67 4.139 4.139 4.481 -0.342 19045 228 1 1 . 1 1 67 67 PRO CA C 67 64.488 64.488 63.833 0.655 19045 229 1 1 . 1 1 67 67 PRO CB C 67 32.003 32.003 31.985 0.018 19045 230 1 1 . 1 1 68 68 SER N N 68 111.024 111.024 114.085 -3.061 19045 231 1 1 . 1 1 68 68 SER HA H 68 4.313 4.313 4.337 -0.024 19045 232 1 1 . 1 1 68 68 SER CA C 68 57.991 57.991 59.179 -1.188 19045 233 1 1 . 1 1 68 68 SER CB C 68 63.252 63.252 63.291 -0.039 19045 234 1 1 . 1 1 68 68 SER H H 68 8.119 8.119 8.168 -0.049 19045 235 1 1 . 1 1 69 69 SER N N 69 117.598 117.598 116.915 0.683 19045 236 1 1 . 1 1 69 69 SER HA H 69 4.440 4.440 4.678 -0.238 19045 237 1 1 . 1 1 69 69 SER CA C 69 57.518 57.518 57.717 -0.199 19045 238 1 1 . 1 1 69 69 SER CB C 69 64.587 64.587 65.757 -1.171 19045 239 1 1 . 1 1 69 69 SER H H 69 7.723 7.723 7.596 0.127 19045 240 1 1 . 1 1 70 70 THR N N 70 121.887 121.887 119.712 2.175 19045 241 1 1 . 1 1 70 70 THR HA H 70 3.873 3.873 4.090 -0.217 19045 242 1 1 . 1 1 70 70 THR CA C 70 66.723 66.723 66.173 0.550 19045 243 1 1 . 1 1 70 70 THR CB C 70 68.385 68.385 68.772 -0.387 19045 244 1 1 . 1 1 70 70 THR H H 70 8.827 8.827 8.693 0.134 19045 245 1 1 . 1 1 71 71 MET N N 71 117.344 117.344 119.330 -1.986 19045 246 1 1 . 1 1 71 71 MET HA H 71 4.469 4.469 4.291 0.178 19045 247 1 1 . 1 1 71 71 MET CA C 71 56.260 56.260 56.563 -0.303 19045 248 1 1 . 1 1 71 71 MET CB C 71 31.696 31.696 31.322 0.374 19045 249 1 1 . 1 1 71 71 MET H H 71 8.454 8.454 8.253 0.201 19045 250 1 1 . 1 1 72 72 GLY N N 72 108.884 108.884 106.212 2.672 19045 251 1 1 . 1 1 72 72 GLY CA C 72 46.884 46.884 47.427 -0.543 19045 252 1 1 . 1 1 72 72 GLY H H 72 7.979 7.979 8.459 -0.480 19045 253 1 1 . 1 1 73 73 GLN N N 73 121.522 121.522 120.107 1.415 19045 254 1 1 . 1 1 73 73 GLN HA H 73 3.857 3.857 4.214 -0.357 19045 255 1 1 . 1 1 73 73 GLN CA C 73 58.220 58.220 58.339 -0.119 19045 256 1 1 . 1 1 73 73 GLN CB C 73 28.309 28.309 28.437 -0.128 19045 257 1 1 . 1 1 73 73 GLN H H 73 7.859 7.859 7.747 0.112 19045 258 1 1 . 1 1 74 74 VAL N N 74 121.291 121.291 121.804 -0.513 19045 259 1 1 . 1 1 74 74 VAL HA H 74 3.359 3.359 3.658 -0.299 19045 260 1 1 . 1 1 74 74 VAL CA C 74 67.150 67.150 66.697 0.453 19045 261 1 1 . 1 1 74 74 VAL CB C 74 31.249 31.249 31.428 -0.179 19045 262 1 1 . 1 1 74 74 VAL H H 74 8.155 8.155 7.491 0.664 19045 263 1 1 . 1 1 75 75 GLY N N 75 105.037 105.037 106.704 -1.667 19045 264 1 1 . 1 1 75 75 GLY CA C 75 48.385 48.385 47.461 0.924 19045 265 1 1 . 1 1 75 75 GLY H H 75 8.154 8.154 8.067 0.087 19045 266 1 1 . 1 1 76 76 ARG N N 76 119.292 119.292 121.715 -2.423 19045 267 1 1 . 1 1 76 76 ARG HA H 76 3.320 3.320 3.683 -0.363 19045 268 1 1 . 1 1 76 76 ARG CA C 76 59.540 59.540 59.290 0.250 19045 269 1 1 . 1 1 76 76 ARG CB C 76 30.130 30.130 29.873 0.257 19045 270 1 1 . 1 1 76 76 ARG H H 76 7.512 7.512 7.527 -0.015 19045 271 1 1 . 1 1 77 77 GLN N N 77 118.008 118.008 118.925 -0.917 19045 272 1 1 . 1 1 77 77 GLN HA H 77 3.951 3.951 4.058 -0.107 19045 273 1 1 . 1 1 77 77 GLN CA C 77 58.337 58.337 58.497 -0.160 19045 274 1 1 . 1 1 77 77 GLN CB C 77 27.512 27.512 28.220 -0.708 19045 275 1 1 . 1 1 77 77 GLN H H 77 7.852 7.852 7.729 0.123 19045 276 1 1 . 1 1 78 78 LEU N N 78 116.018 116.018 119.504 -3.486 19045 277 1 1 . 1 1 78 78 LEU HA H 78 4.078 4.078 4.009 0.069 19045 278 1 1 . 1 1 78 78 LEU CA C 78 57.391 57.391 57.837 -0.446 19045 279 1 1 . 1 1 78 78 LEU CB C 78 40.999 40.999 41.629 -0.630 19045 280 1 1 . 1 1 78 78 LEU H H 78 8.412 8.412 8.534 -0.122 19045 281 1 1 . 1 1 79 79 ALA N N 79 120.914 120.914 119.596 1.318 19045 282 1 1 . 1 1 79 79 ALA HA H 79 3.896 3.896 4.192 -0.296 19045 283 1 1 . 1 1 79 79 ALA CA C 79 54.789 54.789 54.793 -0.004 19045 284 1 1 . 1 1 79 79 ALA CB C 79 17.880 17.880 18.513 -0.633 19045 285 1 1 . 1 1 79 79 ALA H H 79 7.789 7.789 8.270 -0.481 19045 286 1 1 . 1 1 80 80 ILE N N 80 117.984 117.984 117.875 0.109 19045 287 1 1 . 1 1 80 80 ILE HA H 80 3.895 3.895 4.005 -0.110 19045 288 1 1 . 1 1 80 80 ILE CA C 80 63.576 63.576 64.491 -0.915 19045 289 1 1 . 1 1 80 80 ILE CB C 80 38.607 38.607 38.501 0.106 19045 290 1 1 . 1 1 80 80 ILE H H 80 7.690 7.690 7.543 0.147 19045 291 1 1 . 1 1 81 81 ILE HA H 81 3.984 3.984 3.937 0.047 19045 292 1 1 . 1 1 81 81 ILE CA C 81 63.608 63.608 63.716 -0.108 19045 293 1 1 . 1 1 81 81 ILE CB C 81 37.587 37.587 37.477 0.110 19045 294 1 1 . 1 1 81 81 ILE H H 81 7.910 7.910 8.098 -0.188 19045 295 1 1 . 1 1 82 82 GLY CA C 82 45.566 45.566 44.502 1.064 19045 296 1 1 . 1 1 82 82 GLY H H 82 7.765 7.765 8.123 -0.358 19045 297 1 1 . 1 1 83 83 ASP N N 83 119.914 119.914 123.137 -3.223 19045 298 1 1 . 1 1 83 83 ASP HA H 83 4.332 4.332 4.437 -0.105 19045 299 1 1 . 1 1 83 83 ASP CA C 83 58.161 58.161 58.520 -0.359 19045 300 1 1 . 1 1 83 83 ASP CB C 83 41.771 41.771 41.182 0.589 19045 301 1 1 . 1 1 83 83 ASP H H 83 7.400 7.400 7.892 -0.492 19045 302 1 1 . 1 1 84 84 ASP N N 84 116.566 116.566 119.043 -2.477 19045 303 1 1 . 1 1 84 84 ASP HA H 84 4.200 4.200 4.415 -0.215 19045 304 1 1 . 1 1 84 84 ASP CA C 84 57.270 57.270 57.288 -0.018 19045 305 1 1 . 1 1 84 84 ASP CB C 84 40.593 40.593 40.043 0.550 19045 306 1 1 . 1 1 84 84 ASP H H 84 8.523 8.523 8.432 0.091 19045 307 1 1 . 1 1 85 85 ILE N N 85 120.454 120.454 119.553 0.901 19045 308 1 1 . 1 1 85 85 ILE HA H 85 3.753 3.753 3.802 -0.049 19045 309 1 1 . 1 1 85 85 ILE CA C 85 63.782 63.782 65.046 -1.264 19045 310 1 1 . 1 1 85 85 ILE CB C 85 37.546 37.546 37.404 0.142 19045 311 1 1 . 1 1 85 85 ILE H H 85 7.707 7.707 8.159 -0.452 19045 312 1 1 . 1 1 86 86 ASN N N 86 118.583 118.583 118.566 0.017 19045 313 1 1 . 1 1 86 86 ASN HA H 86 4.472 4.472 4.569 -0.097 19045 314 1 1 . 1 1 86 86 ASN CA C 86 56.087 56.087 56.805 -0.718 19045 315 1 1 . 1 1 86 86 ASN CB C 86 37.614 37.614 38.520 -0.906 19045 316 1 1 . 1 1 86 86 ASN H H 86 8.440 8.440 8.154 0.286 19045 317 1 1 . 1 1 87 87 ARG N N 87 117.819 117.819 118.577 -0.758 19045 318 1 1 . 1 1 87 87 ARG HA H 87 4.043 4.043 3.955 0.088 19045 319 1 1 . 1 1 87 87 ARG CA C 87 59.035 59.035 58.795 0.240 19045 320 1 1 . 1 1 87 87 ARG CB C 87 29.845 29.845 29.692 0.153 19045 321 1 1 . 1 1 87 87 ARG H H 87 8.214 8.214 7.923 0.291 19045 322 1 1 . 1 1 88 88 ARG N N 88 117.971 117.971 120.046 -2.075 19045 323 1 1 . 1 1 88 88 ARG HA H 88 3.965 3.965 3.942 0.023 19045 324 1 1 . 1 1 88 88 ARG CA C 88 58.161 58.161 59.075 -0.914 19045 325 1 1 . 1 1 88 88 ARG CB C 88 30.376 30.376 30.319 0.057 19045 326 1 1 . 1 1 88 88 ARG H H 88 7.438 7.438 8.226 -0.788 19045 327 1 1 . 1 1 89 89 TYR N N 89 114.591 114.591 114.611 -0.020 19045 328 1 1 . 1 1 89 89 TYR HA H 89 4.753 4.753 4.627 0.126 19045 329 1 1 . 1 1 89 89 TYR CA C 89 59.481 59.481 58.007 1.474 19045 330 1 1 . 1 1 89 89 TYR CB C 89 39.610 39.610 37.910 1.700 19045 331 1 1 . 1 1 89 89 TYR H H 89 7.635 7.635 8.073 -0.438 19045 332 1 1 . 1 1 90 90 ASP HA H 90 4.820 4.820 4.748 0.072 19045 333 1 1 . 1 1 90 90 ASP CA C 90 58.200 58.200 56.844 1.356 19045 334 1 1 . 1 1 90 90 ASP CB C 90 41.407 41.407 40.847 0.560 19045 335 1 1 . 1 1 90 90 ASP H H 90 8.282 8.282 8.008 0.274 19045 336 1 1 . 1 1 91 91 SER N N 91 115.266 115.266 115.269 -0.003 19045 337 1 1 . 1 1 91 91 SER HA H 91 4.170 4.170 4.430 -0.260 19045 338 1 1 . 1 1 91 91 SER CA C 91 61.780 61.780 61.796 -0.016 19045 339 1 1 . 1 1 91 91 SER CB C 91 61.891 61.891 63.171 -1.280 19045 340 1 1 . 1 1 91 91 SER H H 91 8.717 8.717 7.658 1.059 19045 341 1 1 . 1 1 92 92 GLU N N 92 122.093 122.093 119.853 2.240 19045 342 1 1 . 1 1 92 92 GLU HA H 92 4.056 4.056 4.200 -0.144 19045 343 1 1 . 1 1 92 92 GLU CA C 92 58.928 58.928 58.745 0.184 19045 344 1 1 . 1 1 92 92 GLU CB C 92 29.796 29.796 29.334 0.462 19045 345 1 1 . 1 1 92 92 GLU H H 92 8.025 8.025 8.499 -0.474 19045 346 1 1 . 1 1 93 93 PHE HA H 93 4.171 4.171 4.169 0.002 19045 347 1 1 . 1 1 93 93 PHE CA C 93 60.704 60.704 61.778 -1.074 19045 348 1 1 . 1 1 93 93 PHE CB C 93 38.780 38.780 38.907 -0.127 19045 349 1 1 . 1 1 93 93 PHE H H 93 7.801 7.801 7.784 0.017 19045 350 1 1 . 1 1 94 94 GLN N N 94 118.578 118.578 117.234 1.344 19045 351 1 1 . 1 1 94 94 GLN HA H 94 3.847 3.847 4.042 -0.195 19045 352 1 1 . 1 1 94 94 GLN CA C 94 59.981 59.981 59.144 0.837 19045 353 1 1 . 1 1 94 94 GLN CB C 94 28.415 28.415 28.329 0.086 19045 354 1 1 . 1 1 94 94 GLN H H 94 8.609 8.609 8.239 0.370 19045 355 1 1 . 1 1 95 95 THR N N 95 116.128 116.128 117.688 -1.560 19045 356 1 1 . 1 1 95 95 THR HA H 95 3.811 3.811 3.976 -0.165 19045 357 1 1 . 1 1 95 95 THR CA C 95 66.391 66.391 66.666 -0.275 19045 358 1 1 . 1 1 95 95 THR CB C 95 68.361 68.361 68.796 -0.435 19045 359 1 1 . 1 1 95 95 THR H H 95 7.826 7.826 7.392 0.434 19045 360 1 1 . 1 1 96 96 MET N N 96 120.474 120.474 118.167 2.307 19045 361 1 1 . 1 1 96 96 MET HA H 96 3.933 3.933 3.895 0.038 19045 362 1 1 . 1 1 96 96 MET CA C 96 59.949 59.949 58.126 1.823 19045 363 1 1 . 1 1 96 96 MET CB C 96 33.087 33.087 32.303 0.784 19045 364 1 1 . 1 1 96 96 MET H H 96 7.728 7.728 7.815 -0.087 19045 365 1 1 . 1 1 97 97 LEU N N 97 118.904 118.904 121.365 -2.461 19045 366 1 1 . 1 1 97 97 LEU HA H 97 3.604 3.604 3.967 -0.363 19045 367 1 1 . 1 1 97 97 LEU CA C 97 57.771 57.771 57.969 -0.199 19045 368 1 1 . 1 1 97 97 LEU CB C 97 40.836 40.836 40.352 0.483 19045 369 1 1 . 1 1 97 97 LEU H H 97 8.112 8.112 8.412 -0.300 19045 370 1 1 . 1 1 98 98 GLN N N 98 116.798 116.798 116.618 0.180 19045 371 1 1 . 1 1 98 98 GLN HA H 98 4.003 4.003 4.301 -0.298 19045 372 1 1 . 1 1 98 98 GLN CA C 98 58.337 58.337 58.346 -0.009 19045 373 1 1 . 1 1 98 98 GLN CB C 98 27.659 27.659 28.960 -1.301 19045 374 1 1 . 1 1 98 98 GLN H H 98 7.754 7.754 8.078 -0.324 19045 375 1 1 . 1 1 99 99 HIS N N 99 115.943 115.943 116.620 -0.677 19045 376 1 1 . 1 1 99 99 HIS HA H 99 4.442 4.442 4.429 0.013 19045 377 1 1 . 1 1 99 99 HIS CA C 99 57.025 57.025 56.572 0.453 19045 378 1 1 . 1 1 99 99 HIS CB C 99 28.848 28.848 30.159 -1.311 19045 379 1 1 . 1 1 99 99 HIS H H 99 7.504 7.504 7.926 -0.422 19045 380 1 1 . 1 1 100 100 LEU N N 100 121.347 121.347 120.572 0.775 19045 381 1 1 . 1 1 100 100 LEU HA H 100 3.803 3.803 4.258 -0.455 19045 382 1 1 . 1 1 100 100 LEU CA C 100 56.801 56.801 55.284 1.517 19045 383 1 1 . 1 1 100 100 LEU CB C 100 42.563 42.563 43.303 -0.740 19045 384 1 1 . 1 1 100 100 LEU H H 100 8.013 8.013 7.592 0.421 19045 385 1 1 . 1 1 101 101 GLN N N 101 110.029 110.029 115.908 -5.879 19045 386 1 1 . 1 1 101 101 GLN HA H 101 4.003 4.003 4.095 -0.092 19045 387 1 1 . 1 1 101 101 GLN CA C 101 55.685 55.685 55.576 0.109 19045 388 1 1 . 1 1 101 101 GLN CB C 101 27.301 27.301 26.318 0.983 19045 389 1 1 . 1 1 101 101 GLN H H 101 7.763 7.763 7.880 -0.117 19045 390 1 1 . 1 1 102 102 PRO HA H 102 4.926 4.926 4.253 0.673 19045 391 1 1 . 1 1 102 102 PRO CA C 102 62.372 62.372 62.787 -0.415 19045 392 1 1 . 1 1 102 102 PRO CB C 102 31.963 31.963 32.398 -0.435 19045 393 1 1 . 1 1 103 103 THR N N 103 114.119 114.119 107.223 6.896 19045 394 1 1 . 1 1 103 103 THR HA H 103 4.420 4.420 4.457 -0.037 19045 395 1 1 . 1 1 103 103 THR CA C 103 58.716 58.716 59.943 -1.226 19045 396 1 1 . 1 1 103 103 THR CB C 103 72.929 72.929 71.207 1.722 19045 397 1 1 . 1 1 103 103 THR H H 103 9.386 9.386 8.046 1.340 19045 398 1 1 . 1 1 104 104 ALA N N 104 120.374 120.374 121.482 -1.108 19045 399 1 1 . 1 1 104 104 ALA HA H 104 3.737 3.737 4.747 -1.010 19045 400 1 1 . 1 1 104 104 ALA CA C 104 54.782 54.782 54.088 0.694 19045 401 1 1 . 1 1 104 104 ALA CB C 104 18.050 18.050 18.769 -0.719 19045 402 1 1 . 1 1 104 104 ALA H H 104 8.723 8.723 8.465 0.258 19045 403 1 1 . 1 1 105 105 GLU N N 105 113.834 113.834 115.639 -1.805 19045 404 1 1 . 1 1 105 105 GLU HA H 105 4.122 4.122 4.353 -0.231 19045 405 1 1 . 1 1 105 105 GLU CA C 105 58.707 58.707 58.263 0.444 19045 406 1 1 . 1 1 105 105 GLU CB C 105 29.445 29.445 29.605 -0.160 19045 407 1 1 . 1 1 105 105 GLU H H 105 7.969 7.969 8.401 -0.432 19045 408 1 1 . 1 1 106 106 ASN N N 106 114.135 114.135 117.354 -3.219 19045 409 1 1 . 1 1 106 106 ASN HA H 106 4.781 4.781 4.406 0.375 19045 410 1 1 . 1 1 106 106 ASN CA C 106 52.222 52.222 52.514 -0.292 19045 411 1 1 . 1 1 106 106 ASN CB C 106 38.983 38.983 39.004 -0.021 19045 412 1 1 . 1 1 106 106 ASN H H 106 7.151 7.151 7.770 -0.619 19045 413 1 1 . 1 1 107 107 ALA N N 107 121.280 121.280 123.496 -2.216 19045 414 1 1 . 1 1 107 107 ALA HA H 107 3.858 3.858 4.173 -0.315 19045 415 1 1 . 1 1 107 107 ALA CA C 107 56.988 56.988 55.965 1.023 19045 416 1 1 . 1 1 107 107 ALA CB C 107 18.278 18.278 18.817 -0.539 19045 417 1 1 . 1 1 107 107 ALA H H 107 7.940 7.940 7.418 0.522 19045 418 1 1 . 1 1 108 108 TYR N N 108 117.339 117.339 115.706 1.633 19045 419 1 1 . 1 1 108 108 TYR HA H 108 3.048 3.048 3.811 -0.763 19045 420 1 1 . 1 1 108 108 TYR CA C 108 60.578 60.578 59.776 0.802 19045 421 1 1 . 1 1 108 108 TYR CB C 108 36.804 36.804 36.607 0.197 19045 422 1 1 . 1 1 108 108 TYR H H 108 8.783 8.783 7.712 1.071 19045 423 1 1 . 1 1 109 109 GLU N N 109 123.316 123.316 120.617 2.699 19045 424 1 1 . 1 1 109 109 GLU HA H 109 3.681 3.681 3.719 -0.038 19045 425 1 1 . 1 1 109 109 GLU CA C 109 59.152 59.152 58.551 0.601 19045 426 1 1 . 1 1 109 109 GLU CB C 109 28.782 28.782 28.751 0.031 19045 427 1 1 . 1 1 109 109 GLU H H 109 8.084 8.084 7.367 0.717 19045 428 1 1 . 1 1 110 110 TYR N N 110 117.254 117.254 117.349 -0.095 19045 429 1 1 . 1 1 110 110 TYR HA H 110 4.339 4.339 4.330 0.009 19045 430 1 1 . 1 1 110 110 TYR CA C 110 58.527 58.527 60.089 -1.562 19045 431 1 1 . 1 1 110 110 TYR CB C 110 36.323 36.323 38.606 -2.283 19045 432 1 1 . 1 1 110 110 TYR H H 110 8.282 8.282 7.661 0.621 19045 433 1 1 . 1 1 111 111 PHE N N 111 119.028 119.028 120.551 -1.523 19045 434 1 1 . 1 1 111 111 PHE HA H 111 3.889 3.889 4.141 -0.252 19045 435 1 1 . 1 1 111 111 PHE CA C 111 62.350 62.350 61.078 1.272 19045 436 1 1 . 1 1 111 111 PHE CB C 111 39.369 39.369 39.038 0.331 19045 437 1 1 . 1 1 111 111 PHE H H 111 9.197 9.197 8.707 0.490 19045 438 1 1 . 1 1 112 112 THR N N 112 113.669 113.669 111.824 1.845 19045 439 1 1 . 1 1 112 112 THR HA H 112 3.411 3.411 2.936 0.475 19045 440 1 1 . 1 1 112 112 THR CA C 112 67.185 67.185 66.378 0.807 19045 441 1 1 . 1 1 112 112 THR CB C 112 68.294 68.294 68.412 -0.118 19045 442 1 1 . 1 1 112 112 THR H H 112 8.315 8.315 8.410 -0.095 19045 443 1 1 . 1 1 113 113 LYS N N 113 124.090 124.090 122.019 2.071 19045 444 1 1 . 1 1 113 113 LYS HA H 113 3.854 3.854 4.119 -0.265 19045 445 1 1 . 1 1 113 113 LYS CA C 113 60.416 60.416 58.924 1.492 19045 446 1 1 . 1 1 113 113 LYS CB C 113 33.219 33.219 32.172 1.047 19045 447 1 1 . 1 1 113 113 LYS H H 113 8.335 8.335 7.199 1.136 19045 448 1 1 . 1 1 114 114 ILE N N 114 120.457 120.457 119.462 0.995 19045 449 1 1 . 1 1 114 114 ILE HA H 114 3.145 3.145 3.648 -0.503 19045 450 1 1 . 1 1 114 114 ILE CA C 114 65.550 65.550 63.401 2.149 19045 451 1 1 . 1 1 114 114 ILE CB C 114 37.402 37.402 36.141 1.261 19045 452 1 1 . 1 1 114 114 ILE H H 114 8.042 8.042 7.960 0.082 19045 453 1 1 . 1 1 115 115 ALA N N 115 121.066 121.066 122.870 -1.804 19045 454 1 1 . 1 1 115 115 ALA HA H 115 3.219 3.219 4.017 -0.798 19045 455 1 1 . 1 1 115 115 ALA CA C 115 54.940 54.940 55.399 -0.459 19045 456 1 1 . 1 1 115 115 ALA CB C 115 16.345 16.345 17.591 -1.246 19045 457 1 1 . 1 1 115 115 ALA H H 115 8.208 8.208 8.043 0.165 19045 458 1 1 . 1 1 116 116 THR N N 116 112.803 112.803 115.452 -2.649 19045 459 1 1 . 1 1 116 116 THR HA H 116 3.808 3.808 4.281 -0.473 19045 460 1 1 . 1 1 116 116 THR CA C 116 67.557 67.557 66.367 1.190 19045 461 1 1 . 1 1 116 116 THR CB C 116 68.431 68.431 68.915 -0.483 19045 462 1 1 . 1 1 116 116 THR H H 116 7.893 7.893 7.965 -0.072 19045 463 1 1 . 1 1 117 117 SER N N 117 115.935 115.935 115.483 0.452 19045 464 1 1 . 1 1 117 117 SER HA H 117 4.070 4.070 4.346 -0.276 19045 465 1 1 . 1 1 117 117 SER CA C 117 61.879 61.879 61.356 0.523 19045 466 1 1 . 1 1 117 117 SER CB C 117 62.907 62.907 63.403 -0.496 19045 467 1 1 . 1 1 117 117 SER H H 117 7.139 7.139 7.914 -0.775 19045 468 1 1 . 1 1 118 118 LEU N N 118 123.462 123.462 122.223 1.239 19045 469 1 1 . 1 1 118 118 LEU HA H 118 3.596 3.596 4.057 -0.461 19045 470 1 1 . 1 1 118 118 LEU CA C 118 58.014 58.014 57.592 0.422 19045 471 1 1 . 1 1 118 118 LEU CB C 118 41.687 41.687 42.229 -0.542 19045 472 1 1 . 1 1 118 118 LEU H H 118 7.844 7.844 7.739 0.105 19045 473 1 1 . 1 1 119 119 PHE N N 119 110.270 110.270 116.229 -5.959 19045 474 1 1 . 1 1 119 119 PHE HA H 119 4.721 4.721 4.516 0.205 19045 475 1 1 . 1 1 119 119 PHE CA C 119 58.698 58.698 60.015 -1.317 19045 476 1 1 . 1 1 119 119 PHE CB C 119 38.838 38.838 38.320 0.518 19045 477 1 1 . 1 1 119 119 PHE H H 119 6.878 6.878 8.781 -1.903 19045 478 1 1 . 1 1 120 120 GLU N N 120 123.135 123.135 119.769 3.366 19045 479 1 1 . 1 1 120 120 GLU HA H 120 4.016 4.016 4.080 -0.064 19045 480 1 1 . 1 1 120 120 GLU CA C 120 59.532 59.532 59.357 0.175 19045 481 1 1 . 1 1 120 120 GLU CB C 120 29.337 29.337 29.005 0.332 19045 482 1 1 . 1 1 120 120 GLU H H 120 7.551 7.551 8.057 -0.506 19045 483 1 1 . 1 1 121 121 SER N N 121 107.983 107.983 113.109 -5.126 19045 484 1 1 . 1 1 121 121 SER HA H 121 4.522 4.522 4.340 0.182 19045 485 1 1 . 1 1 121 121 SER CA C 121 57.342 57.342 60.043 -2.701 19045 486 1 1 . 1 1 121 121 SER CB C 121 63.353 63.353 64.195 -0.842 19045 487 1 1 . 1 1 121 121 SER H H 121 7.712 7.712 7.683 0.029 19045 488 1 1 . 1 1 122 122 GLY N N 122 110.748 110.748 106.750 3.998 19045 489 1 1 . 1 1 122 122 GLY CA C 122 44.419 44.419 44.842 -0.423 19045 490 1 1 . 1 1 122 122 GLY H H 122 7.317 7.317 7.246 0.071 19045 491 1 1 . 1 1 123 123 ILE N N 123 117.061 117.061 119.751 -2.690 19045 492 1 1 . 1 1 123 123 ILE HA H 123 3.724 3.724 4.301 -0.577 19045 493 1 1 . 1 1 123 123 ILE CA C 123 61.383 61.383 60.066 1.317 19045 494 1 1 . 1 1 123 123 ILE CB C 123 40.588 40.588 39.975 0.613 19045 495 1 1 . 1 1 123 123 ILE H H 123 7.963 7.963 8.183 -0.220 19045 496 1 1 . 1 1 124 124 ASN N N 124 117.915 117.915 122.459 -4.544 19045 497 1 1 . 1 1 124 124 ASN HA H 124 4.204 4.204 4.934 -0.730 19045 498 1 1 . 1 1 124 124 ASN CA C 124 51.886 51.886 52.315 -0.429 19045 499 1 1 . 1 1 124 124 ASN CB C 124 39.033 39.033 41.641 -2.608 19045 500 1 1 . 1 1 124 124 ASN H H 124 6.434 6.434 8.059 -1.625 19045 501 1 1 . 1 1 125 125 TRP N N 125 119.673 119.673 123.425 -3.752 19045 502 1 1 . 1 1 125 125 TRP HA H 125 4.470 4.470 4.622 -0.152 19045 503 1 1 . 1 1 125 125 TRP CA C 125 61.257 61.257 61.103 0.154 19045 504 1 1 . 1 1 125 125 TRP CB C 125 30.287 30.287 29.622 0.665 19045 505 1 1 . 1 1 125 125 TRP H H 125 8.824 8.824 9.208 -0.384 19045 506 1 1 . 1 1 126 126 GLY N N 126 107.516 107.516 105.716 1.800 19045 507 1 1 . 1 1 126 126 GLY CA C 126 48.294 48.294 46.854 1.440 19045 508 1 1 . 1 1 126 126 GLY H H 126 9.118 9.118 8.899 0.219 19045 509 1 1 . 1 1 127 127 ARG N N 127 119.610 119.610 122.399 -2.789 19045 510 1 1 . 1 1 127 127 ARG HA H 127 3.742 3.742 3.889 -0.147 19045 511 1 1 . 1 1 127 127 ARG CA C 127 59.551 59.551 58.717 0.834 19045 512 1 1 . 1 1 127 127 ARG CB C 127 31.163 31.163 29.703 1.460 19045 513 1 1 . 1 1 127 127 ARG H H 127 8.616 8.616 7.644 0.972 19045 514 1 1 . 1 1 128 128 VAL N N 128 120.289 120.289 120.080 0.209 19045 515 1 1 . 1 1 128 128 VAL HA H 128 3.662 3.662 3.989 -0.327 19045 516 1 1 . 1 1 128 128 VAL CA C 128 68.387 68.387 67.322 1.065 19045 517 1 1 . 1 1 128 128 VAL CB C 128 31.127 31.127 31.802 -0.675 19045 518 1 1 . 1 1 128 128 VAL H H 128 7.762 7.762 8.120 -0.358 19045 519 1 1 . 1 1 129 129 VAL N N 129 119.577 119.577 117.176 2.401 19045 520 1 1 . 1 1 129 129 VAL HA H 129 3.449 3.449 3.534 -0.085 19045 521 1 1 . 1 1 129 129 VAL CA C 129 67.772 67.772 65.868 1.905 19045 522 1 1 . 1 1 129 129 VAL CB C 129 30.918 30.918 30.139 0.779 19045 523 1 1 . 1 1 129 129 VAL H H 129 8.433 8.433 7.774 0.659 19045 524 1 1 . 1 1 130 130 ALA N N 130 123.330 123.330 123.811 -0.481 19045 525 1 1 . 1 1 130 130 ALA HA H 130 4.069 4.069 4.184 -0.115 19045 526 1 1 . 1 1 130 130 ALA CA C 130 54.978 54.978 55.338 -0.360 19045 527 1 1 . 1 1 130 130 ALA CB C 130 17.446 17.446 18.388 -0.942 19045 528 1 1 . 1 1 130 130 ALA H H 130 8.766 8.766 7.846 0.920 19045 529 1 1 . 1 1 131 131 LEU N N 131 120.040 120.040 119.869 0.171 19045 530 1 1 . 1 1 131 131 LEU HA H 131 3.961 3.961 4.536 -0.575 19045 531 1 1 . 1 1 131 131 LEU CA C 131 58.353 58.353 58.244 0.109 19045 532 1 1 . 1 1 131 131 LEU CB C 131 40.750 40.750 42.472 -1.722 19045 533 1 1 . 1 1 131 131 LEU H H 131 8.178 8.178 8.120 0.058 19045 534 1 1 . 1 1 132 132 LEU N N 132 119.150 119.150 117.320 1.830 19045 535 1 1 . 1 1 132 132 LEU HA H 132 3.952 3.952 4.293 -0.341 19045 536 1 1 . 1 1 132 132 LEU CA C 132 58.620 58.620 57.804 0.816 19045 537 1 1 . 1 1 132 132 LEU CB C 132 38.835 38.835 41.276 -2.441 19045 538 1 1 . 1 1 132 132 LEU H H 132 7.927 7.927 7.728 0.199 19045 539 1 1 . 1 1 133 133 GLY N N 133 107.066 107.066 108.425 -1.359 19045 540 1 1 . 1 1 133 133 GLY CA C 133 48.339 48.339 47.737 0.602 19045 541 1 1 . 1 1 133 133 GLY H H 133 8.752 8.752 8.543 0.209 19045 542 1 1 . 1 1 134 134 PHE N N 134 123.521 123.521 120.745 2.776 19045 543 1 1 . 1 1 134 134 PHE HA H 134 4.601 4.601 4.166 0.435 19045 544 1 1 . 1 1 134 134 PHE CA C 134 59.884 59.884 57.697 2.187 19045 545 1 1 . 1 1 134 134 PHE CB C 134 38.622 38.622 37.976 0.646 19045 546 1 1 . 1 1 134 134 PHE H H 134 8.606 8.606 8.313 0.293 19045 547 1 1 . 1 1 135 135 GLY N N 135 106.412 106.412 109.473 -3.061 19045 548 1 1 . 1 1 135 135 GLY CA C 135 47.731 47.731 47.006 0.725 19045 549 1 1 . 1 1 135 135 GLY H H 135 8.715 8.715 7.741 0.974 19045 550 1 1 . 1 1 136 136 TYR N N 136 121.461 121.461 122.953 -1.492 19045 551 1 1 . 1 1 136 136 TYR HA H 136 4.116 4.116 4.114 0.002 19045 552 1 1 . 1 1 136 136 TYR CA C 136 61.564 61.564 60.041 1.523 19045 553 1 1 . 1 1 136 136 TYR CB C 136 38.469 38.469 38.111 0.358 19045 554 1 1 . 1 1 136 136 TYR H H 136 8.809 8.809 8.167 0.642 19045 555 1 1 . 1 1 137 137 ARG N N 137 117.518 117.518 118.701 -1.183 19045 556 1 1 . 1 1 137 137 ARG HA H 137 3.647 3.647 3.897 -0.250 19045 557 1 1 . 1 1 137 137 ARG CA C 137 58.904 58.904 59.383 -0.479 19045 558 1 1 . 1 1 137 137 ARG CB C 137 29.189 29.189 29.886 -0.697 19045 559 1 1 . 1 1 137 137 ARG H H 137 8.646 8.646 7.715 0.931 19045 560 1 1 . 1 1 138 138 LEU N N 138 121.658 121.658 119.671 1.987 19045 561 1 1 . 1 1 138 138 LEU HA H 138 3.905 3.905 4.095 -0.190 19045 562 1 1 . 1 1 138 138 LEU CA C 138 58.454 58.454 58.198 0.256 19045 563 1 1 . 1 1 138 138 LEU CB C 138 41.801 41.801 41.984 -0.183 19045 564 1 1 . 1 1 138 138 LEU H H 138 9.065 9.065 8.071 0.994 19045 565 1 1 . 1 1 139 139 ALA N N 139 120.012 120.012 122.254 -2.242 19045 566 1 1 . 1 1 139 139 ALA HA H 139 4.004 4.004 4.367 -0.363 19045 567 1 1 . 1 1 139 139 ALA CA C 139 55.174 55.174 55.358 -0.184 19045 568 1 1 . 1 1 139 139 ALA CB C 139 17.943 17.943 18.450 -0.507 19045 569 1 1 . 1 1 139 139 ALA H H 139 8.237 8.237 7.898 0.339 19045 570 1 1 . 1 1 140 140 LEU N N 140 119.522 119.522 119.835 -0.313 19045 571 1 1 . 1 1 140 140 LEU HA H 140 4.000 4.000 3.958 0.042 19045 572 1 1 . 1 1 140 140 LEU CA C 140 57.805 57.805 58.230 -0.425 19045 573 1 1 . 1 1 140 140 LEU CB C 140 42.324 42.324 41.699 0.625 19045 574 1 1 . 1 1 140 140 LEU H H 140 8.191 8.191 8.316 -0.125 19045 575 1 1 . 1 1 141 141 HIS N N 141 117.834 117.834 117.605 0.229 19045 576 1 1 . 1 1 141 141 HIS HA H 141 4.183 4.183 4.179 0.004 19045 577 1 1 . 1 1 141 141 HIS CA C 141 60.960 60.960 60.299 0.661 19045 578 1 1 . 1 1 141 141 HIS CB C 141 31.708 31.708 30.302 1.406 19045 579 1 1 . 1 1 141 141 HIS H H 141 8.253 8.253 8.292 -0.039 19045 580 1 1 . 1 1 142 142 VAL N N 142 113.700 113.700 118.120 -4.420 19045 581 1 1 . 1 1 142 142 VAL HA H 142 3.887 3.887 3.808 0.079 19045 582 1 1 . 1 1 142 142 VAL CA C 142 65.948 65.948 63.619 2.329 19045 583 1 1 . 1 1 142 142 VAL CB C 142 30.264 30.264 30.265 -0.001 19045 584 1 1 . 1 1 142 142 VAL H H 142 8.455 8.455 7.689 0.766 19045 585 1 1 . 1 1 143 143 TYR N N 143 123.307 123.307 121.647 1.660 19045 586 1 1 . 1 1 143 143 TYR HA H 143 4.320 4.320 4.451 -0.131 19045 587 1 1 . 1 1 143 143 TYR CA C 143 61.934 61.934 61.089 0.845 19045 588 1 1 . 1 1 143 143 TYR CB C 143 38.779 38.779 38.379 0.400 19045 589 1 1 . 1 1 143 143 TYR H H 143 7.750 7.750 8.172 -0.422 19045 590 1 1 . 1 1 144 144 GLN N N 144 118.560 118.560 116.877 1.683 19045 591 1 1 . 1 1 144 144 GLN HA H 144 3.686 3.686 3.627 0.059 19045 592 1 1 . 1 1 144 144 GLN CA C 144 58.055 58.055 58.218 -0.163 19045 593 1 1 . 1 1 144 144 GLN CB C 144 27.859 27.859 28.430 -0.571 19045 594 1 1 . 1 1 144 144 GLN H H 144 8.486 8.486 8.327 0.159 19045 595 1 1 . 1 1 145 145 HIS N N 145 114.312 114.312 115.693 -1.381 19045 596 1 1 . 1 1 145 145 HIS HA H 145 4.330 4.330 4.249 0.081 19045 597 1 1 . 1 1 145 145 HIS CA C 145 56.178 56.178 58.201 -2.023 19045 598 1 1 . 1 1 145 145 HIS CB C 145 27.751 27.751 30.183 -2.432 19045 599 1 1 . 1 1 145 145 HIS H H 145 7.350 7.350 7.543 -0.193 19045 600 1 1 . 1 1 146 146 GLY N N 146 106.537 106.537 105.372 1.165 19045 601 1 1 . 1 1 146 146 GLY CA C 146 45.715 45.715 44.757 0.958 19045 602 1 1 . 1 1 146 146 GLY H H 146 7.471 7.471 7.593 -0.122 19045 603 1 1 . 1 1 147 147 LEU N N 147 123.302 123.302 125.062 -1.760 19045 604 1 1 . 1 1 147 147 LEU HA H 147 4.496 4.496 4.433 0.063 19045 605 1 1 . 1 1 147 147 LEU CA C 147 54.259 54.259 53.573 0.686 19045 606 1 1 . 1 1 147 147 LEU CB C 147 41.033 41.033 41.486 -0.453 19045 607 1 1 . 1 1 147 147 LEU H H 147 7.933 7.933 7.683 0.250 19045 608 1 1 . 1 1 148 148 THR HA H 148 4.523 4.523 4.313 0.210 19045 609 1 1 . 1 1 148 148 THR CA C 148 61.027 61.027 63.760 -2.733 19045 610 1 1 . 1 1 148 148 THR CB C 148 70.359 70.359 69.194 1.165 19045 611 1 1 . 1 1 149 149 GLY CA C 149 47.016 47.016 44.738 2.278 19045 612 1 1 . 1 1 149 149 GLY H H 149 8.458 8.458 8.941 -0.483 19045 613 1 1 . 1 1 150 150 PHE N N 150 123.408 123.408 120.303 3.105 19045 614 1 1 . 1 1 150 150 PHE HA H 150 4.555 4.555 4.866 -0.311 19045 615 1 1 . 1 1 150 150 PHE CA C 150 57.964 57.964 57.550 0.414 19045 616 1 1 . 1 1 150 150 PHE CB C 150 42.911 42.911 39.522 3.389 19045 617 1 1 . 1 1 150 150 PHE H H 150 9.331 9.331 8.122 1.209 19045 618 1 1 . 1 1 151 151 LEU N N 151 123.032 123.032 120.915 2.117 19045 619 1 1 . 1 1 151 151 LEU HA H 151 3.859 3.859 4.039 -0.180 19045 620 1 1 . 1 1 151 151 LEU CA C 151 58.454 58.454 58.507 -0.053 19045 621 1 1 . 1 1 151 151 LEU CB C 151 40.948 40.948 40.291 0.657 19045 622 1 1 . 1 1 151 151 LEU H H 151 8.470 8.470 8.000 0.470 19045 623 1 1 . 1 1 152 152 GLY N N 152 108.386 108.386 104.562 3.824 19045 624 1 1 . 1 1 152 152 GLY CA C 152 46.676 46.676 47.060 -0.384 19045 625 1 1 . 1 1 152 152 GLY H H 152 8.577 8.577 8.478 0.099 19045 626 1 1 . 1 1 153 153 GLN N N 153 122.055 122.055 121.075 0.980 19045 627 1 1 . 1 1 153 153 GLN HA H 153 3.532 3.532 3.624 -0.092 19045 628 1 1 . 1 1 153 153 GLN CA C 153 57.844 57.844 57.709 0.135 19045 629 1 1 . 1 1 153 153 GLN CB C 153 26.442 26.442 27.457 -1.016 19045 630 1 1 . 1 1 153 153 GLN H H 153 7.106 7.106 7.815 -0.709 19045 631 1 1 . 1 1 154 154 VAL N N 154 116.706 116.706 120.022 -3.316 19045 632 1 1 . 1 1 154 154 VAL HA H 154 2.428 2.428 3.464 -1.036 19045 633 1 1 . 1 1 154 154 VAL CA C 154 66.089 66.089 66.559 -0.470 19045 634 1 1 . 1 1 154 154 VAL CB C 154 31.463 31.463 31.136 0.327 19045 635 1 1 . 1 1 154 154 VAL H H 154 7.033 7.033 8.357 -1.324 19045 636 1 1 . 1 1 155 155 THR N N 155 114.165 114.165 116.775 -2.610 19045 637 1 1 . 1 1 155 155 THR HA H 155 3.317 3.317 3.563 -0.246 19045 638 1 1 . 1 1 155 155 THR CA C 155 67.050 67.050 67.565 -0.515 19045 639 1 1 . 1 1 155 155 THR CB C 155 68.307 68.307 68.472 -0.164 19045 640 1 1 . 1 1 155 155 THR H H 155 7.860 7.860 8.105 -0.245 19045 641 1 1 . 1 1 156 156 ARG N N 156 119.890 119.890 120.821 -0.931 19045 642 1 1 . 1 1 156 156 ARG HA H 156 3.769 3.769 3.905 -0.136 19045 643 1 1 . 1 1 156 156 ARG CA C 156 58.769 58.769 58.902 -0.133 19045 644 1 1 . 1 1 156 156 ARG CB C 156 28.693 28.693 29.429 -0.736 19045 645 1 1 . 1 1 156 156 ARG H H 156 7.019 7.019 7.919 -0.900 19045 646 1 1 . 1 1 157 157 PHE N N 157 118.242 118.242 118.828 -0.586 19045 647 1 1 . 1 1 157 157 PHE HA H 157 4.426 4.426 4.321 0.105 19045 648 1 1 . 1 1 157 157 PHE CA C 157 56.928 56.928 60.581 -3.653 19045 649 1 1 . 1 1 157 157 PHE CB C 157 35.794 35.794 37.901 -2.107 19045 650 1 1 . 1 1 157 157 PHE H H 157 8.030 8.030 7.973 0.057 19045 651 1 1 . 1 1 158 158 VAL N N 158 118.961 118.961 119.947 -0.986 19045 652 1 1 . 1 1 158 158 VAL HA H 158 3.425 3.425 3.914 -0.489 19045 653 1 1 . 1 1 158 158 VAL CA C 158 67.288 67.288 66.903 0.386 19045 654 1 1 . 1 1 158 158 VAL CB C 158 31.554 31.554 30.632 0.922 19045 655 1 1 . 1 1 158 158 VAL H H 158 7.607 7.607 8.340 -0.733 19045 656 1 1 . 1 1 159 159 VAL N N 159 119.773 119.773 120.611 -0.838 19045 657 1 1 . 1 1 159 159 VAL HA H 159 3.358 3.358 3.559 -0.201 19045 658 1 1 . 1 1 159 159 VAL CA C 159 67.570 67.570 67.331 0.239 19045 659 1 1 . 1 1 159 159 VAL CB C 159 32.355 32.355 31.400 0.955 19045 660 1 1 . 1 1 159 159 VAL H H 159 8.039 8.039 8.176 -0.137 19045 661 1 1 . 1 1 160 160 ASP N N 160 118.382 118.382 120.187 -1.805 19045 662 1 1 . 1 1 160 160 ASP HA H 160 4.293 4.293 4.322 -0.029 19045 663 1 1 . 1 1 160 160 ASP CA C 160 57.567 57.567 57.467 0.100 19045 664 1 1 . 1 1 160 160 ASP CB C 160 41.474 41.474 40.775 0.699 19045 665 1 1 . 1 1 160 160 ASP H H 160 8.752 8.752 8.175 0.577 19045 666 1 1 . 1 1 161 161 PHE N N 161 119.972 119.972 120.410 -0.438 19045 667 1 1 . 1 1 161 161 PHE HA H 161 4.175 4.175 4.076 0.099 19045 668 1 1 . 1 1 161 161 PHE CA C 161 62.688 62.688 61.028 1.660 19045 669 1 1 . 1 1 161 161 PHE CB C 161 39.789 39.789 39.279 0.511 19045 670 1 1 . 1 1 161 161 PHE H H 161 8.558 8.558 8.311 0.247 19045 671 1 1 . 1 1 162 162 MET N N 162 116.261 116.261 119.752 -3.491 19045 672 1 1 . 1 1 162 162 MET HA H 162 3.702 3.702 3.952 -0.250 19045 673 1 1 . 1 1 162 162 MET CA C 162 59.342 59.342 59.823 -0.481 19045 674 1 1 . 1 1 162 162 MET CB C 162 32.081 32.081 32.911 -0.830 19045 675 1 1 . 1 1 162 162 MET H H 162 8.597 8.597 8.704 -0.107 19045 676 1 1 . 1 1 163 163 LEU N N 163 119.069 119.069 115.133 3.936 19045 677 1 1 . 1 1 163 163 LEU HA H 163 3.952 3.952 4.193 -0.241 19045 678 1 1 . 1 1 163 163 LEU CA C 163 57.856 57.856 56.275 1.581 19045 679 1 1 . 1 1 163 163 LEU CB C 163 42.236 42.236 41.642 0.594 19045 680 1 1 . 1 1 163 163 LEU H H 163 8.291 8.291 7.779 0.512 19045 681 1 1 . 1 1 164 164 HIS N N 164 113.591 113.591 115.303 -1.712 19045 682 1 1 . 1 1 164 164 HIS HA H 164 4.430 4.430 4.574 -0.144 19045 683 1 1 . 1 1 164 164 HIS CA C 164 57.289 57.289 57.534 -0.245 19045 684 1 1 . 1 1 164 164 HIS CB C 164 28.766 28.766 30.761 -1.995 19045 685 1 1 . 1 1 164 164 HIS H H 164 8.111 8.111 7.247 0.864 19045 686 1 1 . 1 1 165 165 HIS N N 165 115.730 115.730 118.113 -2.383 19045 687 1 1 . 1 1 165 165 HIS HA H 165 4.602 4.602 4.380 0.222 19045 688 1 1 . 1 1 165 165 HIS CA C 165 54.752 54.752 56.171 -1.419 19045 689 1 1 . 1 1 165 165 HIS CB C 165 26.766 26.766 29.089 -2.323 19045 690 1 1 . 1 1 165 165 HIS H H 165 7.789 7.789 7.985 -0.196 19045 691 1 1 . 1 1 166 166 CYS N N 166 109.533 109.533 115.662 -6.129 19045 692 1 1 . 1 1 166 166 CYS HA H 166 4.274 4.274 4.032 0.242 19045 693 1 1 . 1 1 166 166 CYS CA C 166 61.452 61.452 60.321 1.131 19045 694 1 1 . 1 1 166 166 CYS CB C 166 25.215 25.215 26.150 -0.935 19045 695 1 1 . 1 1 166 166 CYS H H 166 7.761 7.761 8.195 -0.434 19045 696 1 1 . 1 1 167 167 ILE N N 167 119.980 119.980 120.360 -0.380 19045 697 1 1 . 1 1 167 167 ILE HA H 167 3.563 3.563 3.705 -0.142 19045 698 1 1 . 1 1 167 167 ILE CA C 167 62.212 62.212 63.866 -1.654 19045 699 1 1 . 1 1 167 167 ILE CB C 167 35.969 35.969 36.324 -0.355 19045 700 1 1 . 1 1 167 167 ILE H H 167 7.574 7.574 8.192 -0.618 19045 701 1 1 . 1 1 168 168 ALA N N 168 121.737 121.737 123.203 -1.466 19045 702 1 1 . 1 1 168 168 ALA HA H 168 3.775 3.775 3.953 -0.178 19045 703 1 1 . 1 1 168 168 ALA CA C 168 55.082 55.082 55.411 -0.329 19045 704 1 1 . 1 1 168 168 ALA CB C 168 16.505 16.505 18.250 -1.745 19045 705 1 1 . 1 1 168 168 ALA H H 168 7.935 7.935 7.798 0.137 19045 706 1 1 . 1 1 169 169 ARG N N 169 118.369 118.369 118.302 0.067 19045 707 1 1 . 1 1 169 169 ARG HA H 169 3.550 3.550 3.987 -0.437 19045 708 1 1 . 1 1 169 169 ARG CA C 169 59.581 59.581 59.028 0.553 19045 709 1 1 . 1 1 169 169 ARG CB C 169 29.380 29.380 29.630 -0.250 19045 710 1 1 . 1 1 169 169 ARG H H 169 7.936 7.936 8.386 -0.450 19045 711 1 1 . 1 1 170 170 TRP N N 170 121.173 121.173 122.183 -1.010 19045 712 1 1 . 1 1 170 170 TRP HA H 170 3.763 3.763 4.210 -0.447 19045 713 1 1 . 1 1 170 170 TRP CA C 170 62.080 62.080 61.758 0.322 19045 714 1 1 . 1 1 170 170 TRP CB C 170 29.423 29.423 29.049 0.374 19045 715 1 1 . 1 1 170 170 TRP H H 170 7.259 7.259 7.545 -0.286 19045 716 1 1 . 1 1 171 171 ILE N N 171 117.994 117.994 118.734 -0.740 19045 717 1 1 . 1 1 171 171 ILE HA H 171 2.864 2.864 2.960 -0.096 19045 718 1 1 . 1 1 171 171 ILE CA C 171 65.347 65.347 64.705 0.642 19045 719 1 1 . 1 1 171 171 ILE CB C 171 37.781 37.781 37.555 0.226 19045 720 1 1 . 1 1 171 171 ILE H H 171 8.074 8.074 8.215 -0.141 19045 721 1 1 . 1 1 172 172 ALA N N 172 123.588 123.588 121.056 2.532 19045 722 1 1 . 1 1 172 172 ALA HA H 172 3.506 3.506 4.001 -0.495 19045 723 1 1 . 1 1 172 172 ALA CA C 172 55.685 55.685 54.606 1.079 19045 724 1 1 . 1 1 172 172 ALA CB C 172 17.050 17.050 18.335 -1.285 19045 725 1 1 . 1 1 172 172 ALA H H 172 8.511 8.511 7.830 0.681 19045 726 1 1 . 1 1 173 173 GLN N N 173 117.382 117.382 115.935 1.447 19045 727 1 1 . 1 1 173 173 GLN HA H 173 3.854 3.854 4.031 -0.177 19045 728 1 1 . 1 1 173 173 GLN CA C 173 57.904 57.904 57.705 0.199 19045 729 1 1 . 1 1 173 173 GLN CB C 173 28.141 28.141 28.939 -0.798 19045 730 1 1 . 1 1 173 173 GLN H H 173 7.898 7.898 7.541 0.357 19045 731 1 1 . 1 1 174 174 ARG N N 174 116.800 116.800 115.903 0.897 19045 732 1 1 . 1 1 174 174 ARG HA H 174 4.097 4.097 4.082 0.015 19045 733 1 1 . 1 1 174 174 ARG CA C 174 55.395 55.395 55.596 -0.201 19045 734 1 1 . 1 1 174 174 ARG CB C 174 29.652 29.652 30.028 -0.376 19045 735 1 1 . 1 1 174 174 ARG H H 174 6.984 6.984 7.396 -0.412 19045 736 1 1 . 1 1 175 175 GLY N N 175 104.194 104.194 106.194 -2.000 19045 737 1 1 . 1 1 175 175 GLY CA C 175 44.340 44.340 44.670 -0.330 19045 738 1 1 . 1 1 175 175 GLY H H 175 7.418 7.418 7.309 0.109 19045 739 1 1 . 1 1 176 176 GLY N N 176 107.629 107.629 107.499 0.130 19045 740 1 1 . 1 1 176 176 GLY CA C 176 43.501 43.501 44.991 -1.490 19045 741 1 1 . 1 1 176 176 GLY H H 176 8.072 8.072 7.556 0.516 19045 742 1 1 . 1 1 177 177 TRP N N 177 117.887 117.887 121.162 -3.275 19045 743 1 1 . 1 1 177 177 TRP HA H 177 4.476 4.476 4.865 -0.389 19045 744 1 1 . 1 1 177 177 TRP CA C 177 61.083 61.083 59.442 1.641 19045 745 1 1 . 1 1 177 177 TRP CB C 177 30.927 30.927 29.484 1.443 19045 746 1 1 . 1 1 177 177 TRP H H 177 8.218 8.218 8.864 -0.646 19045 747 1 1 . 1 1 178 178 VAL N N 178 112.929 112.929 118.227 -5.298 19045 748 1 1 . 1 1 178 178 VAL HA H 178 3.688 3.688 4.053 -0.365 19045 749 1 1 . 1 1 178 178 VAL CA C 178 64.680 64.680 62.242 2.438 19045 750 1 1 . 1 1 178 178 VAL CB C 178 31.057 31.057 30.093 0.964 19045 751 1 1 . 1 1 178 178 VAL H H 178 8.284 8.284 7.853 0.431 19045 752 1 1 . 1 1 179 179 ALA N N 179 125.101 125.101 122.170 2.931 19045 753 1 1 . 1 1 179 179 ALA HA H 179 4.009 4.009 4.326 -0.317 19045 754 1 1 . 1 1 179 179 ALA CA C 179 54.344 54.344 53.666 0.678 19045 755 1 1 . 1 1 179 179 ALA CB C 179 18.555 18.555 18.718 -0.163 19045 756 1 1 . 1 1 179 179 ALA H H 179 7.670 7.670 7.723 -0.053 19045 757 1 1 . 1 1 180 180 ALA N N 180 119.081 119.081 123.110 -4.029 19045 758 1 1 . 1 1 180 180 ALA HA H 180 3.293 3.293 3.612 -0.319 19045 759 1 1 . 1 1 180 180 ALA CA C 180 52.783 52.783 54.901 -2.118 19045 760 1 1 . 1 1 180 180 ALA CB C 180 18.113 18.113 18.441 -0.328 19045 761 1 1 . 1 1 180 180 ALA H H 180 8.058 8.058 7.462 0.596 19045 762 1 1 . 1 1 181 181 LEU N N 181 114.169 114.169 112.780 1.389 19045 763 1 1 . 1 1 181 181 LEU HA H 181 3.911 3.911 3.954 -0.043 19045 764 1 1 . 1 1 181 181 LEU CA C 181 56.128 56.128 56.107 0.021 19045 765 1 1 . 1 1 181 181 LEU CB C 181 40.955 40.955 41.021 -0.066 19045 766 1 1 . 1 1 181 181 LEU H H 181 7.342 7.342 7.731 -0.389 19045 767 1 1 . 1 1 182 182 ASN N N 182 115.061 115.061 115.907 -0.846 19045 768 1 1 . 1 1 182 182 ASN HA H 182 4.743 4.743 4.697 0.046 19045 769 1 1 . 1 1 182 182 ASN CA C 182 52.508 52.508 52.820 -0.312 19045 770 1 1 . 1 1 182 182 ASN CB C 182 39.091 39.091 38.702 0.389 19045 771 1 1 . 1 1 182 182 ASN H H 182 7.289 7.289 7.804 -0.515 19045 772 1 1 . 1 1 183 183 LEU N N 183 119.889 119.889 119.063 0.826 19045 773 1 1 . 1 1 183 183 LEU HA H 183 4.125 4.125 4.601 -0.476 19045 774 1 1 . 1 1 183 183 LEU CA C 183 55.201 55.201 53.645 1.556 19045 775 1 1 . 1 1 183 183 LEU CB C 183 42.174 42.174 43.048 -0.874 19045 776 1 1 . 1 1 183 183 LEU H H 183 7.148 7.148 7.357 -0.209 19045 777 1 1 . 1 1 184 184 GLY N N 184 107.883 107.883 107.312 0.571 19045 778 1 1 . 1 1 184 184 GLY CA C 184 45.256 45.256 47.038 -1.782 19045 779 1 1 . 1 1 184 184 GLY H H 184 8.486 8.486 8.504 -0.018 19045 780 1 1 . 1 1 185 185 ASN N N 185 118.093 118.093 120.198 -2.105 19045 781 1 1 . 1 1 185 185 ASN HA H 185 4.755 4.755 4.583 0.172 19045 782 1 1 . 1 1 185 185 ASN CA C 185 52.812 52.812 52.917 -0.105 19045 783 1 1 . 1 1 185 185 ASN CB C 185 39.297 39.297 38.337 0.960 19045 784 1 1 . 1 1 185 185 ASN H H 185 8.074 8.074 8.567 -0.493 19045 785 1 2 . 1 1 19 19 LEU N N 19 122.834 122.834 123.033 -0.199 19045 786 1 2 . 1 1 19 19 LEU HA H 19 4.523 4.523 4.709 -0.186 19045 787 1 2 . 1 1 19 19 LEU CA C 19 52.690 52.690 53.665 -0.975 19045 788 1 2 . 1 1 19 19 LEU CB C 19 41.808 41.808 42.117 -0.310 19045 789 1 2 . 1 1 19 19 LEU H H 19 8.080 8.080 7.653 0.427 19045 790 1 2 . 1 1 20 20 PRO HA H 20 4.353 4.353 4.491 -0.138 19045 791 1 2 . 1 1 20 20 PRO CA C 20 62.826 62.826 62.625 0.201 19045 792 1 2 . 1 1 20 20 PRO CB C 20 31.969 31.969 32.221 -0.252 19045 793 1 2 . 1 1 21 21 SER N N 21 116.268 116.268 114.420 1.848 19045 794 1 2 . 1 1 21 21 SER HA H 21 4.249 4.249 4.149 0.100 19045 795 1 2 . 1 1 21 21 SER CA C 21 58.338 58.338 58.780 -0.442 19045 796 1 2 . 1 1 21 21 SER CB C 21 63.856 63.856 63.350 0.506 19045 797 1 2 . 1 1 21 21 SER H H 21 8.246 8.246 8.322 -0.076 19045 798 1 2 . 1 1 22 22 ALA N N 22 125.246 125.246 124.749 0.497 19045 799 1 2 . 1 1 22 22 ALA HA H 22 4.405 4.405 4.555 -0.150 19045 800 1 2 . 1 1 22 22 ALA CA C 22 52.086 52.086 52.057 0.029 19045 801 1 2 . 1 1 22 22 ALA CB C 22 19.582 19.582 20.723 -1.141 19045 802 1 2 . 1 1 22 22 ALA H H 22 8.192 8.192 8.284 -0.092 19045 803 1 2 . 1 1 23 23 SER N N 23 114.236 114.236 115.008 -0.772 19045 804 1 2 . 1 1 23 23 SER HA H 23 4.469 4.469 4.875 -0.406 19045 805 1 2 . 1 1 23 23 SER CA C 23 57.386 57.386 56.207 1.179 19045 806 1 2 . 1 1 23 23 SER CB C 23 64.582 64.582 65.842 -1.260 19045 807 1 2 . 1 1 23 23 SER H H 23 8.081 8.081 8.147 -0.066 19045 808 1 2 . 1 1 24 24 GLU N N 24 124.005 124.005 122.708 1.297 19045 809 1 2 . 1 1 24 24 GLU HA H 24 3.534 3.534 3.874 -0.340 19045 810 1 2 . 1 1 24 24 GLU CA C 24 59.772 59.772 59.928 -0.156 19045 811 1 2 . 1 1 24 24 GLU CB C 24 29.798 29.798 29.141 0.657 19045 812 1 2 . 1 1 24 24 GLU H H 24 8.702 8.702 8.968 -0.266 19045 813 1 2 . 1 1 25 25 GLU N N 25 118.390 118.390 118.652 -0.262 19045 814 1 2 . 1 1 25 25 GLU HA H 25 3.796 3.796 3.973 -0.177 19045 815 1 2 . 1 1 25 25 GLU CA C 25 59.939 59.939 59.436 0.503 19045 816 1 2 . 1 1 25 25 GLU CB C 25 29.217 29.217 29.076 0.141 19045 817 1 2 . 1 1 25 25 GLU H H 25 8.559 8.559 8.852 -0.293 19045 818 1 2 . 1 1 26 26 GLN N N 26 120.776 120.776 118.705 2.071 19045 819 1 2 . 1 1 26 26 GLN HA H 26 3.916 3.916 4.205 -0.289 19045 820 1 2 . 1 1 26 26 GLN CA C 26 58.343 58.343 58.424 -0.081 19045 821 1 2 . 1 1 26 26 GLN CB C 26 28.119 28.119 27.956 0.163 19045 822 1 2 . 1 1 26 26 GLN H H 26 7.764 7.764 7.721 0.043 19045 823 1 2 . 1 1 27 27 VAL N N 27 118.723 118.723 121.686 -2.963 19045 824 1 2 . 1 1 27 27 VAL HA H 27 3.933 3.933 3.767 0.166 19045 825 1 2 . 1 1 27 27 VAL CA C 27 66.285 66.285 66.428 -0.143 19045 826 1 2 . 1 1 27 27 VAL CB C 27 31.596 31.596 31.465 0.131 19045 827 1 2 . 1 1 27 27 VAL H H 27 8.062 8.062 8.158 -0.096 19045 828 1 2 . 1 1 28 28 ALA N N 28 122.902 122.902 121.630 1.272 19045 829 1 2 . 1 1 28 28 ALA HA H 28 4.026 4.026 3.982 0.044 19045 830 1 2 . 1 1 28 28 ALA CA C 28 56.178 56.178 55.256 0.922 19045 831 1 2 . 1 1 28 28 ALA CB C 28 18.463 18.463 18.177 0.286 19045 832 1 2 . 1 1 28 28 ALA H H 28 8.412 8.412 8.176 0.236 19045 833 1 2 . 1 1 29 29 GLN N N 29 117.996 117.996 118.363 -0.367 19045 834 1 2 . 1 1 29 29 GLN HA H 29 4.084 4.084 4.077 0.007 19045 835 1 2 . 1 1 29 29 GLN CA C 29 59.063 59.063 58.854 0.209 19045 836 1 2 . 1 1 29 29 GLN CB C 29 28.452 28.452 28.624 -0.172 19045 837 1 2 . 1 1 29 29 GLN H H 29 7.900 7.900 7.861 0.039 19045 838 1 2 . 1 1 30 30 ASP N N 30 121.907 121.907 119.056 2.851 19045 839 1 2 . 1 1 30 30 ASP HA H 30 4.521 4.521 4.330 0.191 19045 840 1 2 . 1 1 30 30 ASP CA C 30 57.038 57.038 57.091 -0.053 19045 841 1 2 . 1 1 30 30 ASP CB C 30 41.939 41.939 40.207 1.732 19045 842 1 2 . 1 1 30 30 ASP H H 30 8.888 8.888 8.199 0.689 19045 843 1 2 . 1 1 31 31 THR N N 31 114.861 114.861 116.860 -1.999 19045 844 1 2 . 1 1 31 31 THR HA H 31 3.493 3.493 3.509 -0.016 19045 845 1 2 . 1 1 31 31 THR CA C 31 66.946 66.946 67.209 -0.263 19045 846 1 2 . 1 1 31 31 THR CB C 31 68.523 68.523 68.936 -0.413 19045 847 1 2 . 1 1 31 31 THR H H 31 8.069 8.069 8.105 -0.036 19045 848 1 2 . 1 1 32 32 GLU N N 32 120.848 120.848 120.837 0.011 19045 849 1 2 . 1 1 32 32 GLU HA H 32 3.597 3.597 3.962 -0.365 19045 850 1 2 . 1 1 32 32 GLU CA C 32 60.899 60.899 59.292 1.607 19045 851 1 2 . 1 1 32 32 GLU CB C 32 28.963 28.963 28.740 0.223 19045 852 1 2 . 1 1 32 32 GLU H H 32 7.578 7.578 7.873 -0.295 19045 853 1 2 . 1 1 33 33 GLU N N 33 117.741 117.741 120.177 -2.436 19045 854 1 2 . 1 1 33 33 GLU HA H 33 3.938 3.938 4.034 -0.096 19045 855 1 2 . 1 1 33 33 GLU CA C 33 58.768 58.768 59.502 -0.734 19045 856 1 2 . 1 1 33 33 GLU CB C 33 29.708 29.708 29.717 -0.009 19045 857 1 2 . 1 1 33 33 GLU H H 33 7.446 7.446 7.818 -0.372 19045 858 1 2 . 1 1 34 34 VAL N N 34 120.239 120.239 119.644 0.595 19045 859 1 2 . 1 1 34 34 VAL HA H 34 3.108 3.108 3.687 -0.579 19045 860 1 2 . 1 1 34 34 VAL CA C 34 66.979 66.979 66.513 0.466 19045 861 1 2 . 1 1 34 34 VAL CB C 34 31.884 31.884 30.987 0.897 19045 862 1 2 . 1 1 34 34 VAL H H 34 7.792 7.792 8.190 -0.398 19045 863 1 2 . 1 1 35 35 PHE N N 35 117.559 117.559 120.779 -3.220 19045 864 1 2 . 1 1 35 35 PHE HA H 35 4.209 4.209 4.106 0.103 19045 865 1 2 . 1 1 35 35 PHE CA C 35 61.592 61.592 62.127 -0.535 19045 866 1 2 . 1 1 35 35 PHE CB C 35 39.066 39.066 39.032 0.035 19045 867 1 2 . 1 1 35 35 PHE H H 35 8.895 8.895 8.424 0.471 19045 868 1 2 . 1 1 36 36 ARG N N 36 116.705 116.705 118.827 -2.122 19045 869 1 2 . 1 1 36 36 ARG HA H 36 3.555 3.555 3.945 -0.390 19045 870 1 2 . 1 1 36 36 ARG CA C 36 59.906 59.906 59.684 0.222 19045 871 1 2 . 1 1 36 36 ARG CB C 36 29.654 29.654 29.817 -0.163 19045 872 1 2 . 1 1 36 36 ARG H H 36 8.182 8.182 8.319 -0.137 19045 873 1 2 . 1 1 37 37 SER N N 37 112.628 112.628 114.494 -1.866 19045 874 1 2 . 1 1 37 37 SER HA H 37 4.122 4.122 4.084 0.038 19045 875 1 2 . 1 1 37 37 SER CA C 37 61.258 61.258 61.594 -0.336 19045 876 1 2 . 1 1 37 37 SER CB C 37 63.089 63.089 63.254 -0.165 19045 877 1 2 . 1 1 37 37 SER H H 37 7.845 7.845 8.204 -0.359 19045 878 1 2 . 1 1 38 38 TYR N N 38 122.458 122.458 124.551 -2.093 19045 879 1 2 . 1 1 38 38 TYR HA H 38 3.927 3.927 4.358 -0.431 19045 880 1 2 . 1 1 38 38 TYR CA C 38 62.006 62.006 61.397 0.609 19045 881 1 2 . 1 1 38 38 TYR CB C 38 38.892 38.892 38.399 0.493 19045 882 1 2 . 1 1 38 38 TYR H H 38 8.793 8.793 8.223 0.570 19045 883 1 2 . 1 1 39 39 VAL N N 39 115.951 115.951 118.611 -2.660 19045 884 1 2 . 1 1 39 39 VAL HA H 39 3.209 3.209 2.993 0.216 19045 885 1 2 . 1 1 39 39 VAL CA C 39 65.982 65.982 64.592 1.390 19045 886 1 2 . 1 1 39 39 VAL CB C 39 30.884 30.884 30.292 0.592 19045 887 1 2 . 1 1 39 39 VAL H H 39 8.348 8.348 7.777 0.571 19045 888 1 2 . 1 1 40 40 PHE N N 40 119.608 119.608 121.858 -2.250 19045 889 1 2 . 1 1 40 40 PHE HA H 40 3.915 3.915 3.862 0.053 19045 890 1 2 . 1 1 40 40 PHE CA C 40 61.651 61.651 61.952 -0.301 19045 891 1 2 . 1 1 40 40 PHE CB C 40 39.411 39.411 38.599 0.812 19045 892 1 2 . 1 1 40 40 PHE H H 40 7.596 7.596 8.026 -0.430 19045 893 1 2 . 1 1 41 41 TYR N N 41 117.686 117.686 119.388 -1.702 19045 894 1 2 . 1 1 41 41 TYR HA H 41 3.818 3.818 4.013 -0.195 19045 895 1 2 . 1 1 41 41 TYR CA C 41 63.446 63.446 60.500 2.946 19045 896 1 2 . 1 1 41 41 TYR CB C 41 37.528 37.528 37.996 -0.468 19045 897 1 2 . 1 1 41 41 TYR H H 41 8.578 8.578 8.194 0.384 19045 898 1 2 . 1 1 42 42 ARG N N 42 121.382 121.382 119.228 2.154 19045 899 1 2 . 1 1 42 42 ARG HA H 42 3.581 3.581 3.733 -0.152 19045 900 1 2 . 1 1 42 42 ARG CA C 42 57.999 57.999 59.927 -1.928 19045 901 1 2 . 1 1 42 42 ARG CB C 42 26.992 26.992 29.998 -3.006 19045 902 1 2 . 1 1 42 42 ARG H H 42 8.784 8.784 7.853 0.931 19045 903 1 2 . 1 1 43 43 HIS N N 43 118.684 118.684 117.149 1.535 19045 904 1 2 . 1 1 43 43 HIS HA H 43 4.291 4.291 4.339 -0.048 19045 905 1 2 . 1 1 43 43 HIS CA C 43 60.041 60.041 57.625 2.416 19045 906 1 2 . 1 1 43 43 HIS CB C 43 27.938 27.938 29.212 -1.274 19045 907 1 2 . 1 1 43 43 HIS H H 43 8.268 8.268 8.375 -0.107 19045 908 1 2 . 1 1 44 44 GLN N N 44 117.841 117.841 119.151 -1.310 19045 909 1 2 . 1 1 44 44 GLN HA H 44 3.638 3.638 3.792 -0.154 19045 910 1 2 . 1 1 44 44 GLN CA C 44 58.681 58.681 59.164 -0.483 19045 911 1 2 . 1 1 44 44 GLN CB C 44 28.977 28.977 28.145 0.832 19045 912 1 2 . 1 1 44 44 GLN H H 44 7.722 7.722 7.763 -0.041 19045 913 1 2 . 1 1 45 45 GLN N N 45 117.756 117.756 118.044 -0.288 19045 914 1 2 . 1 1 45 45 GLN HA H 45 3.932 3.932 4.074 -0.142 19045 915 1 2 . 1 1 45 45 GLN CA C 45 57.923 57.923 58.576 -0.653 19045 916 1 2 . 1 1 45 45 GLN CB C 45 28.039 28.039 28.659 -0.620 19045 917 1 2 . 1 1 45 45 GLN H H 45 7.808 7.808 8.190 -0.382 19045 918 1 2 . 1 1 46 46 GLU N N 46 119.876 119.876 120.291 -0.415 19045 919 1 2 . 1 1 46 46 GLU HA H 46 3.951 3.951 3.917 0.034 19045 920 1 2 . 1 1 46 46 GLU CA C 46 58.956 58.956 59.736 -0.779 19045 921 1 2 . 1 1 46 46 GLU CB C 46 29.166 29.166 29.036 0.130 19045 922 1 2 . 1 1 46 46 GLU H H 46 7.781 7.781 7.882 -0.101 19045 923 1 2 . 1 1 47 47 GLN N N 47 118.282 118.282 116.541 1.741 19045 924 1 2 . 1 1 47 47 GLN HA H 47 3.800 3.800 4.188 -0.388 19045 925 1 2 . 1 1 47 47 GLN CA C 47 57.892 57.892 57.766 0.126 19045 926 1 2 . 1 1 47 47 GLN CB C 47 28.662 28.662 28.062 0.600 19045 927 1 2 . 1 1 47 47 GLN H H 47 7.775 7.775 7.576 0.199 19045 928 1 2 . 1 1 48 48 GLU N N 48 118.519 118.519 115.252 3.267 19045 929 1 2 . 1 1 48 48 GLU HA H 48 4.009 4.009 4.142 -0.133 19045 930 1 2 . 1 1 48 48 GLU CA C 48 57.586 57.586 57.963 -0.377 19045 931 1 2 . 1 1 48 48 GLU CB C 48 28.922 28.922 29.479 -0.557 19045 932 1 2 . 1 1 48 48 GLU H H 48 7.721 7.721 8.008 -0.287 19045 933 1 2 . 1 1 49 49 ALA N N 49 121.657 121.657 123.015 -1.358 19045 934 1 2 . 1 1 49 49 ALA HA H 49 4.140 4.140 4.261 -0.121 19045 935 1 2 . 1 1 49 49 ALA CA C 49 53.389 53.389 53.354 0.035 19045 936 1 2 . 1 1 49 49 ALA CB C 49 19.111 19.111 19.904 -0.793 19045 937 1 2 . 1 1 49 49 ALA H H 49 7.675 7.675 7.816 -0.141 19045 938 1 2 . 1 1 50 50 GLU N N 50 116.803 116.803 113.630 3.173 19045 939 1 2 . 1 1 50 50 GLU HA H 50 4.182 4.182 4.520 -0.338 19045 940 1 2 . 1 1 50 50 GLU CA C 50 56.420 56.420 55.418 1.002 19045 941 1 2 . 1 1 50 50 GLU CB C 50 29.798 29.798 33.034 -3.236 19045 942 1 2 . 1 1 50 50 GLU H H 50 8.106 8.106 8.076 0.030 19045 943 1 2 . 1 1 51 51 GLY N N 51 109.812 109.812 107.006 2.806 19045 944 1 2 . 1 1 51 51 GLY CA C 51 45.739 45.739 45.399 0.340 19045 945 1 2 . 1 1 51 51 GLY H H 51 8.060 8.060 8.566 -0.506 19045 946 1 2 . 1 1 52 52 VAL N N 52 118.668 118.668 117.368 1.300 19045 947 1 2 . 1 1 52 52 VAL HA H 52 4.001 4.001 4.225 -0.224 19045 948 1 2 . 1 1 52 52 VAL CA C 52 62.175 62.175 61.471 0.704 19045 949 1 2 . 1 1 52 52 VAL CB C 52 32.294 32.294 31.394 0.900 19045 950 1 2 . 1 1 52 52 VAL H H 52 7.718 7.718 7.524 0.194 19045 951 1 2 . 1 1 53 53 ALA N N 53 125.624 125.624 125.656 -0.032 19045 952 1 2 . 1 1 53 53 ALA HA H 53 4.220 4.220 4.046 0.174 19045 953 1 2 . 1 1 53 53 ALA CA C 53 51.869 51.869 52.666 -0.797 19045 954 1 2 . 1 1 53 53 ALA CB C 53 19.065 19.065 17.200 1.865 19045 955 1 2 . 1 1 53 53 ALA H H 53 8.073 8.073 8.694 -0.621 19045 956 1 2 . 1 1 54 54 ALA N N 54 123.638 123.638 121.840 1.798 19045 957 1 2 . 1 1 54 54 ALA HA H 54 4.472 4.472 4.619 -0.147 19045 958 1 2 . 1 1 54 54 ALA CA C 54 49.869 49.869 50.092 -0.223 19045 959 1 2 . 1 1 54 54 ALA CB C 54 18.488 18.488 19.634 -1.146 19045 960 1 2 . 1 1 54 54 ALA H H 54 7.718 7.718 7.406 0.312 19045 961 1 2 . 1 1 55 55 PRO HA H 55 4.292 4.292 4.580 -0.288 19045 962 1 2 . 1 1 55 55 PRO CA C 55 62.966 62.966 63.302 -0.336 19045 963 1 2 . 1 1 55 55 PRO CB C 55 31.754 31.754 32.286 -0.532 19045 964 1 2 . 1 1 56 56 ALA N N 56 124.218 124.218 124.870 -0.652 19045 965 1 2 . 1 1 56 56 ALA HA H 56 4.220 4.220 4.349 -0.129 19045 966 1 2 . 1 1 56 56 ALA CB C 56 19.119 19.119 19.652 -0.533 19045 967 1 2 . 1 1 56 56 ALA H H 56 8.259 8.259 8.451 -0.192 19045 968 1 2 . 1 1 57 57 ASP N N 57 120.884 120.884 123.000 -2.116 19045 969 1 2 . 1 1 57 57 ASP HA H 57 4.572 4.572 4.765 -0.193 19045 970 1 2 . 1 1 57 57 ASP CA C 57 52.742 52.742 53.939 -1.197 19045 971 1 2 . 1 1 57 57 ASP CB C 57 41.642 41.642 41.973 -0.331 19045 972 1 2 . 1 1 57 57 ASP H H 57 7.829 7.829 8.506 -0.677 19045 973 1 2 . 1 1 58 58 PRO HA H 58 4.052 4.052 4.553 -0.501 19045 974 1 2 . 1 1 58 58 PRO CA C 58 64.128 64.128 62.978 1.150 19045 975 1 2 . 1 1 58 58 PRO CB C 58 31.989 31.989 30.916 1.073 19045 976 1 2 . 1 1 59 59 GLU HA H 59 4.549 4.549 4.360 0.189 19045 977 1 2 . 1 1 59 59 GLU CA C 59 54.266 54.266 55.739 -1.473 19045 978 1 2 . 1 1 59 59 GLU CB C 59 29.285 29.285 30.932 -1.647 19045 979 1 2 . 1 1 60 60 MET HA H 60 3.846 3.846 4.283 -0.437 19045 980 1 2 . 1 1 60 60 MET CA C 60 57.219 57.219 58.274 -1.055 19045 981 1 2 . 1 1 60 60 MET CB C 60 31.894 31.894 32.156 -0.262 19045 982 1 2 . 1 1 60 60 MET H H 60 7.070 7.070 8.557 -1.487 19045 983 1 2 . 1 1 61 61 VAL N N 61 113.014 113.014 119.706 -6.692 19045 984 1 2 . 1 1 61 61 VAL HA H 61 4.051 4.051 3.816 0.235 19045 985 1 2 . 1 1 61 61 VAL CA C 61 62.799 62.799 63.845 -1.046 19045 986 1 2 . 1 1 61 61 VAL CB C 61 31.993 31.993 31.590 0.403 19045 987 1 2 . 1 1 61 61 VAL H H 61 6.833 6.833 7.935 -1.102 19045 988 1 2 . 1 1 62 62 THR N N 62 110.188 110.188 109.955 0.233 19045 989 1 2 . 1 1 62 62 THR HA H 62 4.230 4.230 3.910 0.320 19045 990 1 2 . 1 1 62 62 THR CA C 62 60.947 60.947 63.279 -2.333 19045 991 1 2 . 1 1 62 62 THR CB C 62 69.192 69.192 68.524 0.668 19045 992 1 2 . 1 1 62 62 THR H H 62 7.101 7.101 7.808 -0.707 19045 993 1 2 . 1 1 63 63 LEU N N 63 125.158 125.158 123.190 1.968 19045 994 1 2 . 1 1 63 63 LEU HA H 63 4.205 4.205 4.815 -0.610 19045 995 1 2 . 1 1 63 63 LEU CA C 63 52.688 52.688 51.968 0.720 19045 996 1 2 . 1 1 63 63 LEU CB C 63 42.252 42.252 42.173 0.079 19045 997 1 2 . 1 1 63 63 LEU H H 63 7.079 7.079 8.131 -1.052 19045 998 1 2 . 1 1 64 64 PRO HA H 64 4.282 4.282 4.434 -0.152 19045 999 1 2 . 1 1 64 64 PRO CA C 64 62.613 62.613 62.668 -0.055 19045 1000 1 2 . 1 1 64 64 PRO CB C 64 30.705 30.705 30.401 0.304 19045 1001 1 2 . 1 1 65 65 LEU N N 65 122.384 122.384 119.311 3.073 19045 1002 1 2 . 1 1 65 65 LEU HA H 65 4.234 4.234 4.644 -0.410 19045 1003 1 2 . 1 1 65 65 LEU CA C 65 54.499 54.499 52.694 1.805 19045 1004 1 2 . 1 1 65 65 LEU CB C 65 43.438 43.438 42.535 0.903 19045 1005 1 2 . 1 1 65 65 LEU H H 65 7.653 7.653 7.540 0.113 19045 1006 1 2 . 1 1 66 66 GLN N N 66 121.802 121.802 119.536 2.266 19045 1007 1 2 . 1 1 66 66 GLN HA H 66 4.209 4.209 4.742 -0.533 19045 1008 1 2 . 1 1 66 66 GLN CA C 66 52.783 52.783 52.349 0.434 19045 1009 1 2 . 1 1 66 66 GLN CB C 66 28.136 28.136 28.936 -0.800 19045 1010 1 2 . 1 1 66 66 GLN H H 66 8.634 8.634 8.415 0.219 19045 1011 1 2 . 1 1 67 67 PRO HA H 67 4.139 4.139 4.468 -0.329 19045 1012 1 2 . 1 1 67 67 PRO CA C 67 64.488 64.488 63.830 0.658 19045 1013 1 2 . 1 1 67 67 PRO CB C 67 32.003 32.003 32.223 -0.220 19045 1014 1 2 . 1 1 68 68 SER N N 68 111.024 111.024 112.268 -1.244 19045 1015 1 2 . 1 1 68 68 SER HA H 68 4.313 4.313 4.565 -0.252 19045 1016 1 2 . 1 1 68 68 SER CA C 68 57.991 57.991 57.770 0.221 19045 1017 1 2 . 1 1 68 68 SER CB C 68 63.252 63.252 63.762 -0.510 19045 1018 1 2 . 1 1 68 68 SER H H 68 8.119 8.119 7.842 0.277 19045 1019 1 2 . 1 1 69 69 SER N N 69 117.598 117.598 117.638 -0.040 19045 1020 1 2 . 1 1 69 69 SER HA H 69 4.440 4.440 4.820 -0.380 19045 1021 1 2 . 1 1 69 69 SER CA C 69 57.518 57.518 57.101 0.417 19045 1022 1 2 . 1 1 69 69 SER CB C 69 64.587 64.587 65.000 -0.413 19045 1023 1 2 . 1 1 69 69 SER H H 69 7.723 7.723 7.576 0.147 19045 1024 1 2 . 1 1 70 70 THR N N 70 121.887 121.887 117.491 4.396 19045 1025 1 2 . 1 1 70 70 THR HA H 70 3.873 3.873 3.996 -0.123 19045 1026 1 2 . 1 1 70 70 THR CA C 70 66.723 66.723 66.095 0.628 19045 1027 1 2 . 1 1 70 70 THR CB C 70 68.385 68.385 68.751 -0.366 19045 1028 1 2 . 1 1 70 70 THR H H 70 8.827 8.827 8.836 -0.009 19045 1029 1 2 . 1 1 71 71 MET N N 71 117.344 117.344 120.377 -3.033 19045 1030 1 2 . 1 1 71 71 MET HA H 71 4.469 4.469 4.186 0.283 19045 1031 1 2 . 1 1 71 71 MET CA C 71 56.260 56.260 59.422 -3.162 19045 1032 1 2 . 1 1 71 71 MET CB C 71 31.696 31.696 31.660 0.036 19045 1033 1 2 . 1 1 71 71 MET H H 71 8.454 8.454 8.206 0.248 19045 1034 1 2 . 1 1 72 72 GLY N N 72 108.884 108.884 103.811 5.073 19045 1035 1 2 . 1 1 72 72 GLY CA C 72 46.884 46.884 46.906 -0.022 19045 1036 1 2 . 1 1 72 72 GLY H H 72 7.979 7.979 8.048 -0.069 19045 1037 1 2 . 1 1 73 73 GLN N N 73 121.522 121.522 120.946 0.576 19045 1038 1 2 . 1 1 73 73 GLN HA H 73 3.857 3.857 4.355 -0.498 19045 1039 1 2 . 1 1 73 73 GLN CA C 73 58.220 58.220 58.434 -0.213 19045 1040 1 2 . 1 1 73 73 GLN CB C 73 28.309 28.309 28.688 -0.379 19045 1041 1 2 . 1 1 73 73 GLN H H 73 7.859 7.859 7.827 0.032 19045 1042 1 2 . 1 1 74 74 VAL N N 74 121.291 121.291 120.965 0.326 19045 1043 1 2 . 1 1 74 74 VAL HA H 74 3.359 3.359 3.821 -0.462 19045 1044 1 2 . 1 1 74 74 VAL CA C 74 67.150 67.150 66.314 0.837 19045 1045 1 2 . 1 1 74 74 VAL CB C 74 31.249 31.249 30.978 0.271 19045 1046 1 2 . 1 1 74 74 VAL H H 74 8.155 8.155 7.934 0.221 19045 1047 1 2 . 1 1 75 75 GLY N N 75 105.037 105.037 107.057 -2.020 19045 1048 1 2 . 1 1 75 75 GLY CA C 75 48.385 48.385 47.530 0.855 19045 1049 1 2 . 1 1 75 75 GLY H H 75 8.154 8.154 8.031 0.123 19045 1050 1 2 . 1 1 76 76 ARG N N 76 119.292 119.292 120.819 -1.527 19045 1051 1 2 . 1 1 76 76 ARG HA H 76 3.320 3.320 3.737 -0.417 19045 1052 1 2 . 1 1 76 76 ARG CA C 76 59.540 59.540 59.962 -0.422 19045 1053 1 2 . 1 1 76 76 ARG CB C 76 30.130 30.130 29.804 0.326 19045 1054 1 2 . 1 1 76 76 ARG H H 76 7.512 7.512 7.602 -0.090 19045 1055 1 2 . 1 1 77 77 GLN N N 77 118.008 118.008 118.211 -0.203 19045 1056 1 2 . 1 1 77 77 GLN HA H 77 3.951 3.951 4.104 -0.153 19045 1057 1 2 . 1 1 77 77 GLN CA C 77 58.337 58.337 58.543 -0.206 19045 1058 1 2 . 1 1 77 77 GLN CB C 77 27.512 27.512 28.002 -0.490 19045 1059 1 2 . 1 1 77 77 GLN H H 77 7.852 7.852 7.864 -0.012 19045 1060 1 2 . 1 1 78 78 LEU N N 78 116.018 116.018 119.953 -3.935 19045 1061 1 2 . 1 1 78 78 LEU HA H 78 4.078 4.078 3.987 0.091 19045 1062 1 2 . 1 1 78 78 LEU CA C 78 57.391 57.391 57.928 -0.537 19045 1063 1 2 . 1 1 78 78 LEU CB C 78 40.999 40.999 41.660 -0.661 19045 1064 1 2 . 1 1 78 78 LEU H H 78 8.412 8.412 8.416 -0.004 19045 1065 1 2 . 1 1 79 79 ALA N N 79 120.914 120.914 120.826 0.088 19045 1066 1 2 . 1 1 79 79 ALA HA H 79 3.896 3.896 4.043 -0.147 19045 1067 1 2 . 1 1 79 79 ALA CA C 79 54.789 54.789 54.969 -0.180 19045 1068 1 2 . 1 1 79 79 ALA CB C 79 17.880 17.880 18.143 -0.264 19045 1069 1 2 . 1 1 79 79 ALA H H 79 7.789 7.789 8.522 -0.733 19045 1070 1 2 . 1 1 80 80 ILE N N 80 117.984 117.984 118.048 -0.064 19045 1071 1 2 . 1 1 80 80 ILE HA H 80 3.895 3.895 3.835 0.060 19045 1072 1 2 . 1 1 80 80 ILE CA C 80 63.576 63.576 64.511 -0.935 19045 1073 1 2 . 1 1 80 80 ILE CB C 80 38.607 38.607 38.526 0.081 19045 1074 1 2 . 1 1 80 80 ILE H H 80 7.690 7.690 7.487 0.203 19045 1075 1 2 . 1 1 81 81 ILE HA H 81 3.984 3.984 3.906 0.078 19045 1076 1 2 . 1 1 81 81 ILE CA C 81 63.608 63.608 63.445 0.163 19045 1077 1 2 . 1 1 81 81 ILE CB C 81 37.587 37.587 37.358 0.230 19045 1078 1 2 . 1 1 81 81 ILE H H 81 7.910 7.910 8.111 -0.201 19045 1079 1 2 . 1 1 82 82 GLY CA C 82 45.566 45.566 44.855 0.711 19045 1080 1 2 . 1 1 82 82 GLY H H 82 7.765 7.765 8.288 -0.523 19045 1081 1 2 . 1 1 83 83 ASP N N 83 119.914 119.914 122.872 -2.958 19045 1082 1 2 . 1 1 83 83 ASP HA H 83 4.332 4.332 4.338 -0.006 19045 1083 1 2 . 1 1 83 83 ASP CA C 83 58.161 58.161 57.858 0.303 19045 1084 1 2 . 1 1 83 83 ASP CB C 83 41.771 41.771 41.268 0.503 19045 1085 1 2 . 1 1 83 83 ASP H H 83 7.400 7.400 7.743 -0.343 19045 1086 1 2 . 1 1 84 84 ASP N N 84 116.566 116.566 118.953 -2.387 19045 1087 1 2 . 1 1 84 84 ASP HA H 84 4.200 4.200 4.335 -0.135 19045 1088 1 2 . 1 1 84 84 ASP CA C 84 57.270 57.270 58.166 -0.896 19045 1089 1 2 . 1 1 84 84 ASP CB C 84 40.593 40.593 40.782 -0.189 19045 1090 1 2 . 1 1 84 84 ASP H H 84 8.523 8.523 8.067 0.456 19045 1091 1 2 . 1 1 85 85 ILE N N 85 120.454 120.454 118.299 2.155 19045 1092 1 2 . 1 1 85 85 ILE HA H 85 3.753 3.753 3.794 -0.041 19045 1093 1 2 . 1 1 85 85 ILE CA C 85 63.782 63.782 64.663 -0.881 19045 1094 1 2 . 1 1 85 85 ILE CB C 85 37.546 37.546 37.232 0.314 19045 1095 1 2 . 1 1 85 85 ILE H H 85 7.707 7.707 8.046 -0.339 19045 1096 1 2 . 1 1 86 86 ASN N N 86 118.583 118.583 118.840 -0.257 19045 1097 1 2 . 1 1 86 86 ASN HA H 86 4.472 4.472 4.513 -0.041 19045 1098 1 2 . 1 1 86 86 ASN CA C 86 56.087 56.087 56.745 -0.658 19045 1099 1 2 . 1 1 86 86 ASN CB C 86 37.614 37.614 38.745 -1.131 19045 1100 1 2 . 1 1 86 86 ASN H H 86 8.440 8.440 8.227 0.213 19045 1101 1 2 . 1 1 87 87 ARG N N 87 117.819 117.819 118.716 -0.897 19045 1102 1 2 . 1 1 87 87 ARG HA H 87 4.043 4.043 4.014 0.029 19045 1103 1 2 . 1 1 87 87 ARG CA C 87 59.035 59.035 58.688 0.347 19045 1104 1 2 . 1 1 87 87 ARG CB C 87 29.845 29.845 29.805 0.040 19045 1105 1 2 . 1 1 87 87 ARG H H 87 8.214 8.214 7.909 0.305 19045 1106 1 2 . 1 1 88 88 ARG N N 88 117.971 117.971 117.752 0.219 19045 1107 1 2 . 1 1 88 88 ARG HA H 88 3.965 3.965 4.103 -0.138 19045 1108 1 2 . 1 1 88 88 ARG CA C 88 58.161 58.161 58.938 -0.777 19045 1109 1 2 . 1 1 88 88 ARG CB C 88 30.376 30.376 30.768 -0.392 19045 1110 1 2 . 1 1 88 88 ARG H H 88 7.438 7.438 8.042 -0.604 19045 1111 1 2 . 1 1 89 89 TYR N N 89 114.591 114.591 115.948 -1.357 19045 1112 1 2 . 1 1 89 89 TYR HA H 89 4.753 4.753 4.591 0.162 19045 1113 1 2 . 1 1 89 89 TYR CA C 89 59.481 59.481 59.998 -0.517 19045 1114 1 2 . 1 1 89 89 TYR CB C 89 39.610 39.610 39.060 0.550 19045 1115 1 2 . 1 1 89 89 TYR H H 89 7.635 7.635 8.476 -0.841 19045 1116 1 2 . 1 1 90 90 ASP HA H 90 4.820 4.820 4.411 0.409 19045 1117 1 2 . 1 1 90 90 ASP CA C 90 58.200 58.200 57.273 0.927 19045 1118 1 2 . 1 1 90 90 ASP CB C 90 41.407 41.407 40.675 0.732 19045 1119 1 2 . 1 1 90 90 ASP H H 90 8.282 8.282 8.398 -0.116 19045 1120 1 2 . 1 1 91 91 SER N N 91 115.266 115.266 115.032 0.234 19045 1121 1 2 . 1 1 91 91 SER HA H 91 4.170 4.170 4.153 0.017 19045 1122 1 2 . 1 1 91 91 SER CA C 91 61.780 61.780 61.864 -0.083 19045 1123 1 2 . 1 1 91 91 SER CB C 91 61.891 61.891 63.160 -1.269 19045 1124 1 2 . 1 1 91 91 SER H H 91 8.717 8.717 8.004 0.713 19045 1125 1 2 . 1 1 92 92 GLU N N 92 122.093 122.093 120.751 1.342 19045 1126 1 2 . 1 1 92 92 GLU HA H 92 4.056 4.056 4.311 -0.255 19045 1127 1 2 . 1 1 92 92 GLU CA C 92 58.928 58.928 58.192 0.736 19045 1128 1 2 . 1 1 92 92 GLU CB C 92 29.796 29.796 28.917 0.879 19045 1129 1 2 . 1 1 92 92 GLU H H 92 8.025 8.025 7.963 0.062 19045 1130 1 2 . 1 1 93 93 PHE HA H 93 4.171 4.171 4.039 0.132 19045 1131 1 2 . 1 1 93 93 PHE CA C 93 60.704 60.704 61.188 -0.484 19045 1132 1 2 . 1 1 93 93 PHE CB C 93 38.780 38.780 39.284 -0.504 19045 1133 1 2 . 1 1 93 93 PHE H H 93 7.801 7.801 8.014 -0.213 19045 1134 1 2 . 1 1 94 94 GLN N N 94 118.578 118.578 118.286 0.292 19045 1135 1 2 . 1 1 94 94 GLN HA H 94 3.847 3.847 4.236 -0.389 19045 1136 1 2 . 1 1 94 94 GLN CA C 94 59.981 59.981 59.052 0.929 19045 1137 1 2 . 1 1 94 94 GLN CB C 94 28.415 28.415 27.916 0.499 19045 1138 1 2 . 1 1 94 94 GLN H H 94 8.609 8.609 8.194 0.415 19045 1139 1 2 . 1 1 95 95 THR N N 95 116.128 116.128 116.697 -0.569 19045 1140 1 2 . 1 1 95 95 THR HA H 95 3.811 3.811 4.000 -0.189 19045 1141 1 2 . 1 1 95 95 THR CA C 95 66.391 66.391 66.266 0.125 19045 1142 1 2 . 1 1 95 95 THR CB C 95 68.361 68.361 68.613 -0.252 19045 1143 1 2 . 1 1 95 95 THR H H 95 7.826 7.826 7.242 0.584 19045 1144 1 2 . 1 1 96 96 MET N N 96 120.474 120.474 118.179 2.295 19045 1145 1 2 . 1 1 96 96 MET HA H 96 3.933 3.933 3.432 0.501 19045 1146 1 2 . 1 1 96 96 MET CA C 96 59.949 59.949 57.838 2.111 19045 1147 1 2 . 1 1 96 96 MET CB C 96 33.087 33.087 32.194 0.893 19045 1148 1 2 . 1 1 96 96 MET H H 96 7.728 7.728 7.469 0.259 19045 1149 1 2 . 1 1 97 97 LEU N N 97 118.904 118.904 121.072 -2.168 19045 1150 1 2 . 1 1 97 97 LEU HA H 97 3.604 3.604 3.556 0.048 19045 1151 1 2 . 1 1 97 97 LEU CA C 97 57.771 57.771 57.311 0.460 19045 1152 1 2 . 1 1 97 97 LEU CB C 97 40.836 40.836 41.254 -0.418 19045 1153 1 2 . 1 1 97 97 LEU H H 97 8.112 8.112 7.947 0.165 19045 1154 1 2 . 1 1 98 98 GLN N N 98 116.798 116.798 116.714 0.084 19045 1155 1 2 . 1 1 98 98 GLN HA H 98 4.003 4.003 3.810 0.193 19045 1156 1 2 . 1 1 98 98 GLN CA C 98 58.337 58.337 57.935 0.402 19045 1157 1 2 . 1 1 98 98 GLN CB C 98 27.659 27.659 28.454 -0.795 19045 1158 1 2 . 1 1 98 98 GLN H H 98 7.754 7.754 7.635 0.119 19045 1159 1 2 . 1 1 99 99 HIS N N 99 115.943 115.943 116.575 -0.632 19045 1160 1 2 . 1 1 99 99 HIS HA H 99 4.442 4.442 4.349 0.093 19045 1161 1 2 . 1 1 99 99 HIS CA C 99 57.025 57.025 56.979 0.046 19045 1162 1 2 . 1 1 99 99 HIS CB C 99 28.848 28.848 29.788 -0.940 19045 1163 1 2 . 1 1 99 99 HIS H H 99 7.504 7.504 7.402 0.102 19045 1164 1 2 . 1 1 100 100 LEU N N 100 121.347 121.347 119.509 1.838 19045 1165 1 2 . 1 1 100 100 LEU HA H 100 3.803 3.803 3.958 -0.155 19045 1166 1 2 . 1 1 100 100 LEU CA C 100 56.801 56.801 56.406 0.396 19045 1167 1 2 . 1 1 100 100 LEU CB C 100 42.563 42.563 42.633 -0.070 19045 1168 1 2 . 1 1 100 100 LEU H H 100 8.013 8.013 7.470 0.543 19045 1169 1 2 . 1 1 101 101 GLN N N 101 110.029 110.029 114.172 -4.143 19045 1170 1 2 . 1 1 101 101 GLN HA H 101 4.003 4.003 4.022 -0.019 19045 1171 1 2 . 1 1 101 101 GLN CA C 101 55.685 55.685 55.338 0.347 19045 1172 1 2 . 1 1 101 101 GLN CB C 101 27.301 27.301 26.362 0.939 19045 1173 1 2 . 1 1 101 101 GLN H H 101 7.763 7.763 7.734 0.029 19045 1174 1 2 . 1 1 102 102 PRO HA H 102 4.926 4.926 4.152 0.774 19045 1175 1 2 . 1 1 102 102 PRO CA C 102 62.372 62.372 62.848 -0.476 19045 1176 1 2 . 1 1 102 102 PRO CB C 102 31.963 31.963 32.202 -0.239 19045 1177 1 2 . 1 1 103 103 THR N N 103 114.119 114.119 105.689 8.430 19045 1178 1 2 . 1 1 103 103 THR HA H 103 4.420 4.420 4.497 -0.077 19045 1179 1 2 . 1 1 103 103 THR CA C 103 58.716 58.716 59.386 -0.670 19045 1180 1 2 . 1 1 103 103 THR CB C 103 72.929 72.929 71.912 1.017 19045 1181 1 2 . 1 1 103 103 THR H H 103 9.386 9.386 7.771 1.615 19045 1182 1 2 . 1 1 104 104 ALA N N 104 120.374 120.374 121.559 -1.185 19045 1183 1 2 . 1 1 104 104 ALA HA H 104 3.737 3.737 4.619 -0.882 19045 1184 1 2 . 1 1 104 104 ALA CA C 104 54.782 54.782 54.197 0.585 19045 1185 1 2 . 1 1 104 104 ALA CB C 104 18.050 18.050 18.507 -0.457 19045 1186 1 2 . 1 1 104 104 ALA H H 104 8.723 8.723 8.489 0.234 19045 1187 1 2 . 1 1 105 105 GLU N N 105 113.834 113.834 115.662 -1.828 19045 1188 1 2 . 1 1 105 105 GLU HA H 105 4.122 4.122 4.366 -0.244 19045 1189 1 2 . 1 1 105 105 GLU CA C 105 58.707 58.707 58.446 0.261 19045 1190 1 2 . 1 1 105 105 GLU CB C 105 29.445 29.445 29.550 -0.105 19045 1191 1 2 . 1 1 105 105 GLU H H 105 7.969 7.969 8.388 -0.419 19045 1192 1 2 . 1 1 106 106 ASN N N 106 114.135 114.135 117.368 -3.233 19045 1193 1 2 . 1 1 106 106 ASN HA H 106 4.781 4.781 4.424 0.357 19045 1194 1 2 . 1 1 106 106 ASN CA C 106 52.222 52.222 52.382 -0.160 19045 1195 1 2 . 1 1 106 106 ASN CB C 106 38.983 38.983 39.016 -0.033 19045 1196 1 2 . 1 1 106 106 ASN H H 106 7.151 7.151 7.899 -0.748 19045 1197 1 2 . 1 1 107 107 ALA N N 107 121.280 121.280 123.452 -2.172 19045 1198 1 2 . 1 1 107 107 ALA HA H 107 3.858 3.858 4.081 -0.223 19045 1199 1 2 . 1 1 107 107 ALA CA C 107 56.988 56.988 55.792 1.196 19045 1200 1 2 . 1 1 107 107 ALA CB C 107 18.278 18.278 18.665 -0.387 19045 1201 1 2 . 1 1 107 107 ALA H H 107 7.940 7.940 7.402 0.538 19045 1202 1 2 . 1 1 108 108 TYR N N 108 117.339 117.339 115.485 1.854 19045 1203 1 2 . 1 1 108 108 TYR HA H 108 3.048 3.048 3.948 -0.900 19045 1204 1 2 . 1 1 108 108 TYR CA C 108 60.578 60.578 59.896 0.682 19045 1205 1 2 . 1 1 108 108 TYR CB C 108 36.804 36.804 36.933 -0.129 19045 1206 1 2 . 1 1 108 108 TYR H H 108 8.783 8.783 7.749 1.034 19045 1207 1 2 . 1 1 109 109 GLU N N 109 123.316 123.316 121.103 2.213 19045 1208 1 2 . 1 1 109 109 GLU HA H 109 3.681 3.681 3.741 -0.060 19045 1209 1 2 . 1 1 109 109 GLU CA C 109 59.152 59.152 58.765 0.387 19045 1210 1 2 . 1 1 109 109 GLU CB C 109 28.782 28.782 28.558 0.224 19045 1211 1 2 . 1 1 109 109 GLU H H 109 8.084 8.084 7.530 0.554 19045 1212 1 2 . 1 1 110 110 TYR N N 110 117.254 117.254 117.347 -0.093 19045 1213 1 2 . 1 1 110 110 TYR HA H 110 4.339 4.339 4.313 0.026 19045 1214 1 2 . 1 1 110 110 TYR CA C 110 58.527 58.527 60.750 -2.223 19045 1215 1 2 . 1 1 110 110 TYR CB C 110 36.323 36.323 38.585 -2.262 19045 1216 1 2 . 1 1 110 110 TYR H H 110 8.282 8.282 7.698 0.584 19045 1217 1 2 . 1 1 111 111 PHE N N 111 119.028 119.028 120.680 -1.652 19045 1218 1 2 . 1 1 111 111 PHE HA H 111 3.889 3.889 4.143 -0.254 19045 1219 1 2 . 1 1 111 111 PHE CA C 111 62.350 62.350 61.126 1.224 19045 1220 1 2 . 1 1 111 111 PHE CB C 111 39.369 39.369 39.033 0.336 19045 1221 1 2 . 1 1 111 111 PHE H H 111 9.197 9.197 8.688 0.509 19045 1222 1 2 . 1 1 112 112 THR N N 112 113.669 113.669 111.656 2.013 19045 1223 1 2 . 1 1 112 112 THR HA H 112 3.411 3.411 3.019 0.392 19045 1224 1 2 . 1 1 112 112 THR CA C 112 67.185 67.185 66.413 0.772 19045 1225 1 2 . 1 1 112 112 THR CB C 112 68.294 68.294 68.322 -0.028 19045 1226 1 2 . 1 1 112 112 THR H H 112 8.315 8.315 8.484 -0.169 19045 1227 1 2 . 1 1 113 113 LYS N N 113 124.090 124.090 122.141 1.949 19045 1228 1 2 . 1 1 113 113 LYS HA H 113 3.854 3.854 4.080 -0.226 19045 1229 1 2 . 1 1 113 113 LYS CA C 113 60.416 60.416 58.958 1.458 19045 1230 1 2 . 1 1 113 113 LYS CB C 113 33.219 33.219 32.158 1.061 19045 1231 1 2 . 1 1 113 113 LYS H H 113 8.335 8.335 7.122 1.213 19045 1232 1 2 . 1 1 114 114 ILE N N 114 120.457 120.457 119.461 0.996 19045 1233 1 2 . 1 1 114 114 ILE HA H 114 3.145 3.145 3.661 -0.516 19045 1234 1 2 . 1 1 114 114 ILE CA C 114 65.550 65.550 63.295 2.255 19045 1235 1 2 . 1 1 114 114 ILE CB C 114 37.402 37.402 36.227 1.175 19045 1236 1 2 . 1 1 114 114 ILE H H 114 8.042 8.042 7.846 0.196 19045 1237 1 2 . 1 1 115 115 ALA N N 115 121.066 121.066 121.713 -0.647 19045 1238 1 2 . 1 1 115 115 ALA HA H 115 3.219 3.219 3.947 -0.728 19045 1239 1 2 . 1 1 115 115 ALA CA C 115 54.940 54.940 55.413 -0.473 19045 1240 1 2 . 1 1 115 115 ALA CB C 115 16.345 16.345 17.444 -1.099 19045 1241 1 2 . 1 1 115 115 ALA H H 115 8.208 8.208 8.009 0.199 19045 1242 1 2 . 1 1 116 116 THR N N 116 112.803 112.803 115.516 -2.713 19045 1243 1 2 . 1 1 116 116 THR HA H 116 3.808 3.808 4.279 -0.471 19045 1244 1 2 . 1 1 116 116 THR CA C 116 67.557 67.557 65.989 1.568 19045 1245 1 2 . 1 1 116 116 THR CB C 116 68.431 68.431 68.855 -0.424 19045 1246 1 2 . 1 1 116 116 THR H H 116 7.893 7.893 7.780 0.113 19045 1247 1 2 . 1 1 117 117 SER N N 117 115.935 115.935 116.317 -0.382 19045 1248 1 2 . 1 1 117 117 SER HA H 117 4.070 4.070 4.318 -0.248 19045 1249 1 2 . 1 1 117 117 SER CA C 117 61.879 61.879 61.620 0.259 19045 1250 1 2 . 1 1 117 117 SER CB C 117 62.907 62.907 63.314 -0.407 19045 1251 1 2 . 1 1 117 117 SER H H 117 7.139 7.139 7.965 -0.826 19045 1252 1 2 . 1 1 118 118 LEU N N 118 123.462 123.462 124.375 -0.913 19045 1253 1 2 . 1 1 118 118 LEU HA H 118 3.596 3.596 3.918 -0.322 19045 1254 1 2 . 1 1 118 118 LEU CA C 118 58.014 58.014 57.546 0.468 19045 1255 1 2 . 1 1 118 118 LEU CB C 118 41.687 41.687 42.074 -0.387 19045 1256 1 2 . 1 1 118 118 LEU H H 118 7.844 7.844 7.724 0.120 19045 1257 1 2 . 1 1 119 119 PHE N N 119 110.270 110.270 112.615 -2.345 19045 1258 1 2 . 1 1 119 119 PHE HA H 119 4.721 4.721 4.685 0.036 19045 1259 1 2 . 1 1 119 119 PHE CA C 119 58.698 58.698 57.450 1.248 19045 1260 1 2 . 1 1 119 119 PHE CB C 119 38.838 38.838 38.136 0.702 19045 1261 1 2 . 1 1 119 119 PHE H H 119 6.878 6.878 8.322 -1.444 19045 1262 1 2 . 1 1 120 120 GLU N N 120 123.135 123.135 119.333 3.802 19045 1263 1 2 . 1 1 120 120 GLU HA H 120 4.016 4.016 4.276 -0.260 19045 1264 1 2 . 1 1 120 120 GLU CA C 120 59.532 59.532 58.262 1.270 19045 1265 1 2 . 1 1 120 120 GLU CB C 120 29.337 29.337 30.224 -0.888 19045 1266 1 2 . 1 1 120 120 GLU H H 120 7.551 7.551 7.714 -0.163 19045 1267 1 2 . 1 1 121 121 SER N N 121 107.983 107.983 113.994 -6.011 19045 1268 1 2 . 1 1 121 121 SER HA H 121 4.522 4.522 4.502 0.020 19045 1269 1 2 . 1 1 121 121 SER CA C 121 57.342 57.342 59.079 -1.737 19045 1270 1 2 . 1 1 121 121 SER CB C 121 63.353 63.353 64.495 -1.141 19045 1271 1 2 . 1 1 121 121 SER H H 121 7.712 7.712 8.108 -0.396 19045 1272 1 2 . 1 1 122 122 GLY N N 122 110.748 110.748 107.759 2.989 19045 1273 1 2 . 1 1 122 122 GLY CA C 122 44.419 44.419 45.060 -0.641 19045 1274 1 2 . 1 1 122 122 GLY H H 122 7.317 7.317 7.796 -0.479 19045 1275 1 2 . 1 1 123 123 ILE N N 123 117.061 117.061 118.648 -1.587 19045 1276 1 2 . 1 1 123 123 ILE HA H 123 3.724 3.724 4.184 -0.460 19045 1277 1 2 . 1 1 123 123 ILE CA C 123 61.383 61.383 60.411 0.972 19045 1278 1 2 . 1 1 123 123 ILE CB C 123 40.588 40.588 38.893 1.695 19045 1279 1 2 . 1 1 123 123 ILE H H 123 7.963 7.963 8.223 -0.260 19045 1280 1 2 . 1 1 124 124 ASN N N 124 117.915 117.915 122.455 -4.540 19045 1281 1 2 . 1 1 124 124 ASN HA H 124 4.204 4.204 4.814 -0.610 19045 1282 1 2 . 1 1 124 124 ASN CA C 124 51.886 51.886 52.388 -0.502 19045 1283 1 2 . 1 1 124 124 ASN CB C 124 39.033 39.033 41.184 -2.151 19045 1284 1 2 . 1 1 124 124 ASN H H 124 6.434 6.434 7.860 -1.426 19045 1285 1 2 . 1 1 125 125 TRP N N 125 119.673 119.673 123.483 -3.810 19045 1286 1 2 . 1 1 125 125 TRP HA H 125 4.470 4.470 4.495 -0.025 19045 1287 1 2 . 1 1 125 125 TRP CA C 125 61.257 61.257 60.914 0.342 19045 1288 1 2 . 1 1 125 125 TRP CB C 125 30.287 30.287 29.605 0.682 19045 1289 1 2 . 1 1 125 125 TRP H H 125 8.824 8.824 9.067 -0.243 19045 1290 1 2 . 1 1 126 126 GLY N N 126 107.516 107.516 106.539 0.977 19045 1291 1 2 . 1 1 126 126 GLY CA C 126 48.294 48.294 47.237 1.057 19045 1292 1 2 . 1 1 126 126 GLY H H 126 9.118 9.118 8.644 0.474 19045 1293 1 2 . 1 1 127 127 ARG N N 127 119.610 119.610 122.264 -2.654 19045 1294 1 2 . 1 1 127 127 ARG HA H 127 3.742 3.742 3.991 -0.249 19045 1295 1 2 . 1 1 127 127 ARG CA C 127 59.551 59.551 59.148 0.403 19045 1296 1 2 . 1 1 127 127 ARG CB C 127 31.163 31.163 29.930 1.233 19045 1297 1 2 . 1 1 127 127 ARG H H 127 8.616 8.616 8.217 0.399 19045 1298 1 2 . 1 1 128 128 VAL N N 128 120.289 120.289 119.658 0.631 19045 1299 1 2 . 1 1 128 128 VAL HA H 128 3.662 3.662 3.977 -0.315 19045 1300 1 2 . 1 1 128 128 VAL CA C 128 68.387 68.387 66.585 1.802 19045 1301 1 2 . 1 1 128 128 VAL CB C 128 31.127 31.127 31.122 0.006 19045 1302 1 2 . 1 1 128 128 VAL H H 128 7.762 7.762 8.081 -0.319 19045 1303 1 2 . 1 1 129 129 VAL N N 129 119.577 119.577 119.812 -0.235 19045 1304 1 2 . 1 1 129 129 VAL HA H 129 3.449 3.449 3.683 -0.234 19045 1305 1 2 . 1 1 129 129 VAL CA C 129 67.772 67.772 66.703 1.069 19045 1306 1 2 . 1 1 129 129 VAL CB C 129 30.918 30.918 31.220 -0.302 19045 1307 1 2 . 1 1 129 129 VAL H H 129 8.433 8.433 7.665 0.768 19045 1308 1 2 . 1 1 130 130 ALA N N 130 123.330 123.330 123.523 -0.193 19045 1309 1 2 . 1 1 130 130 ALA HA H 130 4.069 4.069 4.087 -0.018 19045 1310 1 2 . 1 1 130 130 ALA CA C 130 54.978 54.978 55.228 -0.251 19045 1311 1 2 . 1 1 130 130 ALA CB C 130 17.446 17.446 18.410 -0.964 19045 1312 1 2 . 1 1 130 130 ALA H H 130 8.766 8.766 8.097 0.669 19045 1313 1 2 . 1 1 131 131 LEU N N 131 120.040 120.040 119.613 0.427 19045 1314 1 2 . 1 1 131 131 LEU HA H 131 3.961 3.961 4.537 -0.576 19045 1315 1 2 . 1 1 131 131 LEU CA C 131 58.353 58.353 58.690 -0.337 19045 1316 1 2 . 1 1 131 131 LEU CB C 131 40.750 40.750 42.216 -1.466 19045 1317 1 2 . 1 1 131 131 LEU H H 131 8.178 8.178 8.500 -0.322 19045 1318 1 2 . 1 1 132 132 LEU N N 132 119.150 119.150 117.408 1.742 19045 1319 1 2 . 1 1 132 132 LEU HA H 132 3.952 3.952 4.302 -0.350 19045 1320 1 2 . 1 1 132 132 LEU CA C 132 58.620 58.620 57.543 1.077 19045 1321 1 2 . 1 1 132 132 LEU CB C 132 38.835 38.835 40.645 -1.810 19045 1322 1 2 . 1 1 132 132 LEU H H 132 7.927 7.927 7.480 0.447 19045 1323 1 2 . 1 1 133 133 GLY N N 133 107.066 107.066 108.262 -1.196 19045 1324 1 2 . 1 1 133 133 GLY CA C 133 48.339 48.339 47.711 0.628 19045 1325 1 2 . 1 1 133 133 GLY H H 133 8.752 8.752 8.341 0.411 19045 1326 1 2 . 1 1 134 134 PHE N N 134 123.521 123.521 121.283 2.238 19045 1327 1 2 . 1 1 134 134 PHE HA H 134 4.601 4.601 4.916 -0.315 19045 1328 1 2 . 1 1 134 134 PHE CA C 134 59.884 59.884 57.900 1.984 19045 1329 1 2 . 1 1 134 134 PHE CB C 134 38.622 38.622 38.642 -0.020 19045 1330 1 2 . 1 1 134 134 PHE H H 134 8.606 8.606 8.536 0.070 19045 1331 1 2 . 1 1 135 135 GLY N N 135 106.412 106.412 109.394 -2.982 19045 1332 1 2 . 1 1 135 135 GLY CA C 135 47.731 47.731 47.183 0.548 19045 1333 1 2 . 1 1 135 135 GLY H H 135 8.715 8.715 7.827 0.888 19045 1334 1 2 . 1 1 136 136 TYR N N 136 121.461 121.461 122.789 -1.328 19045 1335 1 2 . 1 1 136 136 TYR HA H 136 4.116 4.116 4.300 -0.184 19045 1336 1 2 . 1 1 136 136 TYR CA C 136 61.564 61.564 61.880 -0.317 19045 1337 1 2 . 1 1 136 136 TYR CB C 136 38.469 38.469 38.722 -0.253 19045 1338 1 2 . 1 1 136 136 TYR H H 136 8.809 8.809 8.039 0.770 19045 1339 1 2 . 1 1 137 137 ARG N N 137 117.518 117.518 119.548 -2.030 19045 1340 1 2 . 1 1 137 137 ARG HA H 137 3.647 3.647 4.090 -0.443 19045 1341 1 2 . 1 1 137 137 ARG CA C 137 58.904 58.904 60.007 -1.103 19045 1342 1 2 . 1 1 137 137 ARG CB C 137 29.189 29.189 30.419 -1.230 19045 1343 1 2 . 1 1 137 137 ARG H H 137 8.646 8.646 7.708 0.938 19045 1344 1 2 . 1 1 138 138 LEU N N 138 121.658 121.658 120.010 1.648 19045 1345 1 2 . 1 1 138 138 LEU HA H 138 3.905 3.905 4.298 -0.393 19045 1346 1 2 . 1 1 138 138 LEU CA C 138 58.454 58.454 58.211 0.243 19045 1347 1 2 . 1 1 138 138 LEU CB C 138 41.801 41.801 42.230 -0.429 19045 1348 1 2 . 1 1 138 138 LEU H H 138 9.065 9.065 8.649 0.416 19045 1349 1 2 . 1 1 139 139 ALA N N 139 120.012 120.012 119.898 0.114 19045 1350 1 2 . 1 1 139 139 ALA HA H 139 4.004 4.004 4.332 -0.328 19045 1351 1 2 . 1 1 139 139 ALA CA C 139 55.174 55.174 54.714 0.460 19045 1352 1 2 . 1 1 139 139 ALA CB C 139 17.943 17.943 18.906 -0.963 19045 1353 1 2 . 1 1 139 139 ALA H H 139 8.237 8.237 7.853 0.384 19045 1354 1 2 . 1 1 140 140 LEU N N 140 119.522 119.522 120.347 -0.825 19045 1355 1 2 . 1 1 140 140 LEU HA H 140 4.000 4.000 4.162 -0.162 19045 1356 1 2 . 1 1 140 140 LEU CA C 140 57.805 57.805 57.612 0.193 19045 1357 1 2 . 1 1 140 140 LEU CB C 140 42.324 42.324 42.097 0.227 19045 1358 1 2 . 1 1 140 140 LEU H H 140 8.191 8.191 8.029 0.162 19045 1359 1 2 . 1 1 141 141 HIS N N 141 117.834 117.834 116.093 1.741 19045 1360 1 2 . 1 1 141 141 HIS HA H 141 4.183 4.183 4.363 -0.180 19045 1361 1 2 . 1 1 141 141 HIS CA C 141 60.960 60.960 59.830 1.130 19045 1362 1 2 . 1 1 141 141 HIS CB C 141 31.708 31.708 30.375 1.333 19045 1363 1 2 . 1 1 141 141 HIS H H 141 8.253 8.253 8.148 0.105 19045 1364 1 2 . 1 1 142 142 VAL N N 142 113.700 113.700 114.333 -0.633 19045 1365 1 2 . 1 1 142 142 VAL HA H 142 3.887 3.887 4.197 -0.310 19045 1366 1 2 . 1 1 142 142 VAL CA C 142 65.948 65.948 63.275 2.673 19045 1367 1 2 . 1 1 142 142 VAL CB C 142 30.264 30.264 32.051 -1.787 19045 1368 1 2 . 1 1 142 142 VAL H H 142 8.455 8.455 7.422 1.033 19045 1369 1 2 . 1 1 143 143 TYR N N 143 123.307 123.307 122.599 0.708 19045 1370 1 2 . 1 1 143 143 TYR HA H 143 4.320 4.320 3.992 0.328 19045 1371 1 2 . 1 1 143 143 TYR CA C 143 61.934 61.934 61.441 0.493 19045 1372 1 2 . 1 1 143 143 TYR CB C 143 38.779 38.779 38.295 0.484 19045 1373 1 2 . 1 1 143 143 TYR H H 143 7.750 7.750 8.235 -0.485 19045 1374 1 2 . 1 1 144 144 GLN N N 144 118.560 118.560 117.044 1.516 19045 1375 1 2 . 1 1 144 144 GLN HA H 144 3.686 3.686 3.982 -0.296 19045 1376 1 2 . 1 1 144 144 GLN CA C 144 58.055 58.055 58.240 -0.185 19045 1377 1 2 . 1 1 144 144 GLN CB C 144 27.859 27.859 28.452 -0.593 19045 1378 1 2 . 1 1 144 144 GLN H H 144 8.486 8.486 8.056 0.430 19045 1379 1 2 . 1 1 145 145 HIS N N 145 114.312 114.312 116.854 -2.542 19045 1380 1 2 . 1 1 145 145 HIS HA H 145 4.330 4.330 4.318 0.012 19045 1381 1 2 . 1 1 145 145 HIS CA C 145 56.178 56.178 57.202 -1.024 19045 1382 1 2 . 1 1 145 145 HIS CB C 145 27.751 27.751 30.608 -2.857 19045 1383 1 2 . 1 1 145 145 HIS H H 145 7.350 7.350 7.774 -0.424 19045 1384 1 2 . 1 1 146 146 GLY N N 146 106.537 106.537 106.227 0.310 19045 1385 1 2 . 1 1 146 146 GLY CA C 146 45.715 45.715 45.114 0.601 19045 1386 1 2 . 1 1 146 146 GLY H H 146 7.471 7.471 7.838 -0.367 19045 1387 1 2 . 1 1 147 147 LEU N N 147 123.302 123.302 118.245 5.057 19045 1388 1 2 . 1 1 147 147 LEU HA H 147 4.496 4.496 4.174 0.322 19045 1389 1 2 . 1 1 147 147 LEU CA C 147 54.259 54.259 55.625 -1.366 19045 1390 1 2 . 1 1 147 147 LEU CB C 147 41.033 41.033 41.700 -0.667 19045 1391 1 2 . 1 1 147 147 LEU H H 147 7.933 7.933 7.698 0.235 19045 1392 1 2 . 1 1 148 148 THR HA H 148 4.523 4.523 4.101 0.422 19045 1393 1 2 . 1 1 148 148 THR CA C 148 61.027 61.027 64.275 -3.248 19045 1394 1 2 . 1 1 148 148 THR CB C 148 70.359 70.359 69.023 1.336 19045 1395 1 2 . 1 1 149 149 GLY CA C 149 47.016 47.016 46.536 0.480 19045 1396 1 2 . 1 1 149 149 GLY H H 149 8.458 8.458 8.829 -0.371 19045 1397 1 2 . 1 1 150 150 PHE N N 150 123.408 123.408 117.028 6.380 19045 1398 1 2 . 1 1 150 150 PHE HA H 150 4.555 4.555 4.533 0.022 19045 1399 1 2 . 1 1 150 150 PHE CA C 150 57.964 57.964 58.334 -0.370 19045 1400 1 2 . 1 1 150 150 PHE CB C 150 42.911 42.911 40.038 2.873 19045 1401 1 2 . 1 1 150 150 PHE H H 150 9.331 9.331 8.120 1.211 19045 1402 1 2 . 1 1 151 151 LEU N N 151 123.032 123.032 120.480 2.552 19045 1403 1 2 . 1 1 151 151 LEU HA H 151 3.859 3.859 3.733 0.126 19045 1404 1 2 . 1 1 151 151 LEU CA C 151 58.454 58.454 59.062 -0.609 19045 1405 1 2 . 1 1 151 151 LEU CB C 151 40.948 40.948 40.381 0.567 19045 1406 1 2 . 1 1 151 151 LEU H H 151 8.470 8.470 8.087 0.383 19045 1407 1 2 . 1 1 152 152 GLY N N 152 108.386 108.386 104.879 3.507 19045 1408 1 2 . 1 1 152 152 GLY CA C 152 46.676 46.676 47.652 -0.976 19045 1409 1 2 . 1 1 152 152 GLY H H 152 8.577 8.577 8.518 0.059 19045 1410 1 2 . 1 1 153 153 GLN N N 153 122.055 122.055 121.185 0.870 19045 1411 1 2 . 1 1 153 153 GLN HA H 153 3.532 3.532 3.659 -0.127 19045 1412 1 2 . 1 1 153 153 GLN CA C 153 57.844 57.844 57.874 -0.030 19045 1413 1 2 . 1 1 153 153 GLN CB C 153 26.442 26.442 27.720 -1.278 19045 1414 1 2 . 1 1 153 153 GLN H H 153 7.106 7.106 8.048 -0.942 19045 1415 1 2 . 1 1 154 154 VAL N N 154 116.706 116.706 119.913 -3.207 19045 1416 1 2 . 1 1 154 154 VAL HA H 154 2.428 2.428 3.437 -1.009 19045 1417 1 2 . 1 1 154 154 VAL CA C 154 66.089 66.089 66.377 -0.289 19045 1418 1 2 . 1 1 154 154 VAL CB C 154 31.463 31.463 30.776 0.687 19045 1419 1 2 . 1 1 154 154 VAL H H 154 7.033 7.033 8.591 -1.558 19045 1420 1 2 . 1 1 155 155 THR N N 155 114.165 114.165 115.436 -1.271 19045 1421 1 2 . 1 1 155 155 THR HA H 155 3.317 3.317 3.120 0.197 19045 1422 1 2 . 1 1 155 155 THR CA C 155 67.050 67.050 66.482 0.568 19045 1423 1 2 . 1 1 155 155 THR CB C 155 68.307 68.307 68.080 0.227 19045 1424 1 2 . 1 1 155 155 THR H H 155 7.860 7.860 7.907 -0.047 19045 1425 1 2 . 1 1 156 156 ARG N N 156 119.890 119.890 119.925 -0.035 19045 1426 1 2 . 1 1 156 156 ARG HA H 156 3.769 3.769 3.904 -0.135 19045 1427 1 2 . 1 1 156 156 ARG CA C 156 58.769 58.769 58.529 0.240 19045 1428 1 2 . 1 1 156 156 ARG CB C 156 28.693 28.693 29.381 -0.688 19045 1429 1 2 . 1 1 156 156 ARG H H 156 7.019 7.019 7.800 -0.781 19045 1430 1 2 . 1 1 157 157 PHE N N 157 118.242 118.242 119.785 -1.543 19045 1431 1 2 . 1 1 157 157 PHE HA H 157 4.426 4.426 4.294 0.132 19045 1432 1 2 . 1 1 157 157 PHE CA C 157 56.928 56.928 61.330 -4.402 19045 1433 1 2 . 1 1 157 157 PHE CB C 157 35.794 35.794 38.088 -2.294 19045 1434 1 2 . 1 1 157 157 PHE H H 157 8.030 8.030 8.172 -0.142 19045 1435 1 2 . 1 1 158 158 VAL N N 158 118.961 118.961 119.125 -0.164 19045 1436 1 2 . 1 1 158 158 VAL HA H 158 3.425 3.425 3.978 -0.553 19045 1437 1 2 . 1 1 158 158 VAL CA C 158 67.288 67.288 67.067 0.222 19045 1438 1 2 . 1 1 158 158 VAL CB C 158 31.554 31.554 31.440 0.114 19045 1439 1 2 . 1 1 158 158 VAL H H 158 7.607 7.607 8.031 -0.424 19045 1440 1 2 . 1 1 159 159 VAL N N 159 119.773 119.773 119.963 -0.190 19045 1441 1 2 . 1 1 159 159 VAL HA H 159 3.358 3.358 3.754 -0.396 19045 1442 1 2 . 1 1 159 159 VAL CA C 159 67.570 67.570 66.039 1.531 19045 1443 1 2 . 1 1 159 159 VAL CB C 159 32.355 32.355 31.904 0.451 19045 1444 1 2 . 1 1 159 159 VAL H H 159 8.039 8.039 7.649 0.390 19045 1445 1 2 . 1 1 160 160 ASP N N 160 118.382 118.382 120.694 -2.312 19045 1446 1 2 . 1 1 160 160 ASP HA H 160 4.293 4.293 4.371 -0.078 19045 1447 1 2 . 1 1 160 160 ASP CA C 160 57.567 57.567 58.001 -0.434 19045 1448 1 2 . 1 1 160 160 ASP CB C 160 41.474 41.474 40.995 0.478 19045 1449 1 2 . 1 1 160 160 ASP H H 160 8.752 8.752 8.350 0.402 19045 1450 1 2 . 1 1 161 161 PHE N N 161 119.972 119.972 121.225 -1.253 19045 1451 1 2 . 1 1 161 161 PHE HA H 161 4.175 4.175 4.312 -0.137 19045 1452 1 2 . 1 1 161 161 PHE CA C 161 62.688 62.688 61.085 1.603 19045 1453 1 2 . 1 1 161 161 PHE CB C 161 39.789 39.789 39.376 0.414 19045 1454 1 2 . 1 1 161 161 PHE H H 161 8.558 8.558 8.442 0.116 19045 1455 1 2 . 1 1 162 162 MET N N 162 116.261 116.261 119.921 -3.660 19045 1456 1 2 . 1 1 162 162 MET HA H 162 3.702 3.702 3.830 -0.128 19045 1457 1 2 . 1 1 162 162 MET CA C 162 59.342 59.342 59.410 -0.068 19045 1458 1 2 . 1 1 162 162 MET CB C 162 32.081 32.081 32.514 -0.433 19045 1459 1 2 . 1 1 162 162 MET H H 162 8.597 8.597 8.110 0.487 19045 1460 1 2 . 1 1 163 163 LEU N N 163 119.069 119.069 118.543 0.526 19045 1461 1 2 . 1 1 163 163 LEU HA H 163 3.952 3.952 3.830 0.122 19045 1462 1 2 . 1 1 163 163 LEU CA C 163 57.856 57.856 57.523 0.333 19045 1463 1 2 . 1 1 163 163 LEU CB C 163 42.236 42.236 41.791 0.445 19045 1464 1 2 . 1 1 163 163 LEU H H 163 8.291 8.291 7.943 0.348 19045 1465 1 2 . 1 1 164 164 HIS N N 164 113.591 113.591 114.251 -0.660 19045 1466 1 2 . 1 1 164 164 HIS HA H 164 4.430 4.430 4.195 0.235 19045 1467 1 2 . 1 1 164 164 HIS CA C 164 57.289 57.289 58.976 -1.687 19045 1468 1 2 . 1 1 164 164 HIS CB C 164 28.766 28.766 29.904 -1.138 19045 1469 1 2 . 1 1 164 164 HIS H H 164 8.111 8.111 7.600 0.511 19045 1470 1 2 . 1 1 165 165 HIS N N 165 115.730 115.730 116.468 -0.738 19045 1471 1 2 . 1 1 165 165 HIS HA H 165 4.602 4.602 4.378 0.224 19045 1472 1 2 . 1 1 165 165 HIS CA C 165 54.752 54.752 56.489 -1.736 19045 1473 1 2 . 1 1 165 165 HIS CB C 165 26.766 26.766 30.697 -3.931 19045 1474 1 2 . 1 1 165 165 HIS H H 165 7.789 7.789 7.767 0.022 19045 1475 1 2 . 1 1 166 166 CYS N N 166 109.533 109.533 119.579 -10.046 19045 1476 1 2 . 1 1 166 166 CYS HA H 166 4.274 4.274 4.497 -0.223 19045 1477 1 2 . 1 1 166 166 CYS CA C 166 61.452 61.452 58.806 2.646 19045 1478 1 2 . 1 1 166 166 CYS CB C 166 25.215 25.215 26.357 -1.141 19045 1479 1 2 . 1 1 166 166 CYS H H 166 7.761 7.761 8.641 -0.880 19045 1480 1 2 . 1 1 167 167 ILE N N 167 119.980 119.980 122.018 -2.038 19045 1481 1 2 . 1 1 167 167 ILE HA H 167 3.563 3.563 3.726 -0.163 19045 1482 1 2 . 1 1 167 167 ILE CA C 167 62.212 62.212 62.555 -0.343 19045 1483 1 2 . 1 1 167 167 ILE CB C 167 35.969 35.969 36.559 -0.589 19045 1484 1 2 . 1 1 167 167 ILE H H 167 7.574 7.574 7.335 0.239 19045 1485 1 2 . 1 1 168 168 ALA N N 168 121.737 121.737 122.963 -1.226 19045 1486 1 2 . 1 1 168 168 ALA HA H 168 3.775 3.775 3.946 -0.171 19045 1487 1 2 . 1 1 168 168 ALA CA C 168 55.082 55.082 55.622 -0.540 19045 1488 1 2 . 1 1 168 168 ALA CB C 168 16.505 16.505 18.079 -1.574 19045 1489 1 2 . 1 1 168 168 ALA H H 168 7.935 7.935 7.682 0.253 19045 1490 1 2 . 1 1 169 169 ARG N N 169 118.369 118.369 118.492 -0.123 19045 1491 1 2 . 1 1 169 169 ARG HA H 169 3.550 3.550 3.981 -0.431 19045 1492 1 2 . 1 1 169 169 ARG CA C 169 59.581 59.581 59.308 0.273 19045 1493 1 2 . 1 1 169 169 ARG CB C 169 29.380 29.380 29.634 -0.254 19045 1494 1 2 . 1 1 169 169 ARG H H 169 7.936 7.936 8.540 -0.604 19045 1495 1 2 . 1 1 170 170 TRP N N 170 121.173 121.173 120.911 0.262 19045 1496 1 2 . 1 1 170 170 TRP HA H 170 3.763 3.763 4.196 -0.433 19045 1497 1 2 . 1 1 170 170 TRP CA C 170 62.080 62.080 60.863 1.217 19045 1498 1 2 . 1 1 170 170 TRP CB C 170 29.423 29.423 29.247 0.176 19045 1499 1 2 . 1 1 170 170 TRP H H 170 7.259 7.259 7.383 -0.124 19045 1500 1 2 . 1 1 171 171 ILE N N 171 117.994 117.994 118.602 -0.608 19045 1501 1 2 . 1 1 171 171 ILE HA H 171 2.864 2.864 3.046 -0.182 19045 1502 1 2 . 1 1 171 171 ILE CA C 171 65.347 65.347 64.805 0.542 19045 1503 1 2 . 1 1 171 171 ILE CB C 171 37.781 37.781 37.547 0.234 19045 1504 1 2 . 1 1 171 171 ILE H H 171 8.074 8.074 8.288 -0.214 19045 1505 1 2 . 1 1 172 172 ALA N N 172 123.588 123.588 120.780 2.808 19045 1506 1 2 . 1 1 172 172 ALA HA H 172 3.506 3.506 3.906 -0.400 19045 1507 1 2 . 1 1 172 172 ALA CA C 172 55.685 55.685 54.853 0.832 19045 1508 1 2 . 1 1 172 172 ALA CB C 172 17.050 17.050 18.307 -1.257 19045 1509 1 2 . 1 1 172 172 ALA H H 172 8.511 8.511 7.835 0.676 19045 1510 1 2 . 1 1 173 173 GLN N N 173 117.382 117.382 115.988 1.394 19045 1511 1 2 . 1 1 173 173 GLN HA H 173 3.854 3.854 3.977 -0.123 19045 1512 1 2 . 1 1 173 173 GLN CA C 173 57.904 57.904 57.543 0.361 19045 1513 1 2 . 1 1 173 173 GLN CB C 173 28.141 28.141 28.791 -0.650 19045 1514 1 2 . 1 1 173 173 GLN H H 173 7.898 7.898 7.556 0.342 19045 1515 1 2 . 1 1 174 174 ARG N N 174 116.800 116.800 116.576 0.224 19045 1516 1 2 . 1 1 174 174 ARG HA H 174 4.097 4.097 4.075 0.022 19045 1517 1 2 . 1 1 174 174 ARG CA C 174 55.395 55.395 55.637 -0.242 19045 1518 1 2 . 1 1 174 174 ARG CB C 174 29.652 29.652 30.117 -0.465 19045 1519 1 2 . 1 1 174 174 ARG H H 174 6.984 6.984 7.429 -0.445 19045 1520 1 2 . 1 1 175 175 GLY N N 175 104.194 104.194 105.521 -1.327 19045 1521 1 2 . 1 1 175 175 GLY CA C 175 44.340 44.340 44.639 -0.299 19045 1522 1 2 . 1 1 175 175 GLY H H 175 7.418 7.418 7.062 0.356 19045 1523 1 2 . 1 1 176 176 GLY N N 176 107.629 107.629 107.363 0.266 19045 1524 1 2 . 1 1 176 176 GLY CA C 176 43.501 43.501 44.906 -1.405 19045 1525 1 2 . 1 1 176 176 GLY H H 176 8.072 8.072 7.612 0.460 19045 1526 1 2 . 1 1 177 177 TRP N N 177 117.887 117.887 121.684 -3.797 19045 1527 1 2 . 1 1 177 177 TRP HA H 177 4.476 4.476 4.781 -0.305 19045 1528 1 2 . 1 1 177 177 TRP CA C 177 61.083 61.083 60.236 0.847 19045 1529 1 2 . 1 1 177 177 TRP CB C 177 30.927 30.927 29.502 1.425 19045 1530 1 2 . 1 1 177 177 TRP H H 177 8.218 8.218 8.930 -0.712 19045 1531 1 2 . 1 1 178 178 VAL N N 178 112.929 112.929 118.056 -5.127 19045 1532 1 2 . 1 1 178 178 VAL HA H 178 3.688 3.688 3.959 -0.271 19045 1533 1 2 . 1 1 178 178 VAL CA C 178 64.680 64.680 64.070 0.610 19045 1534 1 2 . 1 1 178 178 VAL CB C 178 31.057 31.057 30.851 0.206 19045 1535 1 2 . 1 1 178 178 VAL H H 178 8.284 8.284 8.035 0.249 19045 1536 1 2 . 1 1 179 179 ALA N N 179 125.101 125.101 121.914 3.187 19045 1537 1 2 . 1 1 179 179 ALA HA H 179 4.009 4.009 4.442 -0.433 19045 1538 1 2 . 1 1 179 179 ALA CA C 179 54.344 54.344 53.431 0.913 19045 1539 1 2 . 1 1 179 179 ALA CB C 179 18.555 18.555 18.916 -0.361 19045 1540 1 2 . 1 1 179 179 ALA H H 179 7.670 7.670 7.914 -0.244 19045 1541 1 2 . 1 1 180 180 ALA N N 180 119.081 119.081 121.599 -2.518 19045 1542 1 2 . 1 1 180 180 ALA HA H 180 3.293 3.293 3.594 -0.301 19045 1543 1 2 . 1 1 180 180 ALA CA C 180 52.783 52.783 53.566 -0.783 19045 1544 1 2 . 1 1 180 180 ALA CB C 180 18.113 18.113 18.405 -0.292 19045 1545 1 2 . 1 1 180 180 ALA H H 180 8.058 8.058 7.368 0.690 19045 1546 1 2 . 1 1 181 181 LEU N N 181 114.169 114.169 116.076 -1.907 19045 1547 1 2 . 1 1 181 181 LEU HA H 181 3.911 3.911 4.194 -0.283 19045 1548 1 2 . 1 1 181 181 LEU CA C 181 56.128 56.128 56.680 -0.552 19045 1549 1 2 . 1 1 181 181 LEU CB C 181 40.955 40.955 41.221 -0.266 19045 1550 1 2 . 1 1 181 181 LEU H H 181 7.342 7.342 7.543 -0.201 19045 1551 1 2 . 1 1 182 182 ASN N N 182 115.061 115.061 116.645 -1.584 19045 1552 1 2 . 1 1 182 182 ASN HA H 182 4.743 4.743 4.605 0.138 19045 1553 1 2 . 1 1 182 182 ASN CA C 182 52.508 52.508 53.456 -0.948 19045 1554 1 2 . 1 1 182 182 ASN CB C 182 39.091 39.091 39.506 -0.415 19045 1555 1 2 . 1 1 182 182 ASN H H 182 7.289 7.289 7.506 -0.217 19045 1556 1 2 . 1 1 183 183 LEU N N 183 119.889 119.889 120.128 -0.239 19045 1557 1 2 . 1 1 183 183 LEU HA H 183 4.125 4.125 4.230 -0.105 19045 1558 1 2 . 1 1 183 183 LEU CA C 183 55.201 55.201 55.435 -0.234 19045 1559 1 2 . 1 1 183 183 LEU CB C 183 42.174 42.174 41.833 0.341 19045 1560 1 2 . 1 1 183 183 LEU H H 183 7.148 7.148 7.351 -0.203 19045 1561 1 2 . 1 1 184 184 GLY N N 184 107.883 107.883 109.314 -1.431 19045 1562 1 2 . 1 1 184 184 GLY CA C 184 45.256 45.256 46.430 -1.174 19045 1563 1 2 . 1 1 184 184 GLY H H 184 8.486 8.486 8.536 -0.050 19045 1564 1 2 . 1 1 185 185 ASN N N 185 118.093 118.093 124.503 -6.410 19045 1565 1 2 . 1 1 185 185 ASN HA H 185 4.755 4.755 4.757 -0.002 19045 1566 1 2 . 1 1 185 185 ASN CA C 185 52.812 52.812 52.316 0.496 19045 1567 1 2 . 1 1 185 185 ASN CB C 185 39.297 39.297 38.729 0.568 19045 1568 1 2 . 1 1 185 185 ASN H H 185 8.074 8.074 8.406 -0.332 19045 1569 1 3 . 1 1 19 19 LEU N N 19 122.834 122.834 123.181 -0.347 19045 1570 1 3 . 1 1 19 19 LEU HA H 19 4.523 4.523 4.781 -0.258 19045 1571 1 3 . 1 1 19 19 LEU CA C 19 52.690 52.690 53.193 -0.503 19045 1572 1 3 . 1 1 19 19 LEU CB C 19 41.808 41.808 41.859 -0.051 19045 1573 1 3 . 1 1 19 19 LEU H H 19 8.080 8.080 7.958 0.122 19045 1574 1 3 . 1 1 20 20 PRO HA H 20 4.353 4.353 4.558 -0.205 19045 1575 1 3 . 1 1 20 20 PRO CA C 20 62.826 62.826 61.988 0.838 19045 1576 1 3 . 1 1 20 20 PRO CB C 20 31.969 31.969 32.129 -0.160 19045 1577 1 3 . 1 1 21 21 SER N N 21 116.268 116.268 115.463 0.805 19045 1578 1 3 . 1 1 21 21 SER HA H 21 4.249 4.249 4.242 0.007 19045 1579 1 3 . 1 1 21 21 SER CA C 21 58.338 58.338 59.220 -0.882 19045 1580 1 3 . 1 1 21 21 SER CB C 21 63.856 63.856 63.476 0.380 19045 1581 1 3 . 1 1 21 21 SER H H 21 8.246 8.246 8.224 0.022 19045 1582 1 3 . 1 1 22 22 ALA N N 22 125.246 125.246 124.120 1.126 19045 1583 1 3 . 1 1 22 22 ALA HA H 22 4.405 4.405 4.603 -0.198 19045 1584 1 3 . 1 1 22 22 ALA CA C 22 52.086 52.086 51.533 0.553 19045 1585 1 3 . 1 1 22 22 ALA CB C 22 19.582 19.582 21.285 -1.703 19045 1586 1 3 . 1 1 22 22 ALA H H 22 8.192 8.192 8.339 -0.147 19045 1587 1 3 . 1 1 23 23 SER N N 23 114.236 114.236 115.068 -0.832 19045 1588 1 3 . 1 1 23 23 SER HA H 23 4.469 4.469 4.826 -0.357 19045 1589 1 3 . 1 1 23 23 SER CA C 23 57.386 57.386 57.036 0.350 19045 1590 1 3 . 1 1 23 23 SER CB C 23 64.582 64.582 65.982 -1.400 19045 1591 1 3 . 1 1 23 23 SER H H 23 8.081 8.081 8.290 -0.209 19045 1592 1 3 . 1 1 24 24 GLU N N 24 124.005 124.005 123.285 0.720 19045 1593 1 3 . 1 1 24 24 GLU HA H 24 3.534 3.534 3.920 -0.386 19045 1594 1 3 . 1 1 24 24 GLU CA C 24 59.772 59.772 60.365 -0.594 19045 1595 1 3 . 1 1 24 24 GLU CB C 24 29.798 29.798 29.449 0.349 19045 1596 1 3 . 1 1 24 24 GLU H H 24 8.702 8.702 9.086 -0.384 19045 1597 1 3 . 1 1 25 25 GLU N N 25 118.390 118.390 117.140 1.250 19045 1598 1 3 . 1 1 25 25 GLU HA H 25 3.796 3.796 4.004 -0.208 19045 1599 1 3 . 1 1 25 25 GLU CA C 25 59.939 59.939 59.545 0.394 19045 1600 1 3 . 1 1 25 25 GLU CB C 25 29.217 29.217 29.129 0.088 19045 1601 1 3 . 1 1 25 25 GLU H H 25 8.559 8.559 8.828 -0.269 19045 1602 1 3 . 1 1 26 26 GLN N N 26 120.776 120.776 118.591 2.185 19045 1603 1 3 . 1 1 26 26 GLN HA H 26 3.916 3.916 4.441 -0.525 19045 1604 1 3 . 1 1 26 26 GLN CA C 26 58.343 58.343 58.504 -0.161 19045 1605 1 3 . 1 1 26 26 GLN CB C 26 28.119 28.119 27.903 0.216 19045 1606 1 3 . 1 1 26 26 GLN H H 26 7.764 7.764 7.703 0.061 19045 1607 1 3 . 1 1 27 27 VAL N N 27 118.723 118.723 121.145 -2.422 19045 1608 1 3 . 1 1 27 27 VAL HA H 27 3.933 3.933 3.846 0.087 19045 1609 1 3 . 1 1 27 27 VAL CA C 27 66.285 66.285 66.431 -0.146 19045 1610 1 3 . 1 1 27 27 VAL CB C 27 31.596 31.596 31.206 0.391 19045 1611 1 3 . 1 1 27 27 VAL H H 27 8.062 8.062 8.513 -0.451 19045 1612 1 3 . 1 1 28 28 ALA N N 28 122.902 122.902 122.559 0.343 19045 1613 1 3 . 1 1 28 28 ALA HA H 28 4.026 4.026 4.013 0.013 19045 1614 1 3 . 1 1 28 28 ALA CA C 28 56.178 56.178 55.609 0.569 19045 1615 1 3 . 1 1 28 28 ALA CB C 28 18.463 18.463 18.433 0.030 19045 1616 1 3 . 1 1 28 28 ALA H H 28 8.412 8.412 8.317 0.095 19045 1617 1 3 . 1 1 29 29 GLN N N 29 117.996 117.996 117.416 0.580 19045 1618 1 3 . 1 1 29 29 GLN HA H 29 4.084 4.084 4.096 -0.012 19045 1619 1 3 . 1 1 29 29 GLN CA C 29 59.063 59.063 58.740 0.323 19045 1620 1 3 . 1 1 29 29 GLN CB C 29 28.452 28.452 28.279 0.173 19045 1621 1 3 . 1 1 29 29 GLN H H 29 7.900 7.900 7.763 0.137 19045 1622 1 3 . 1 1 30 30 ASP N N 30 121.907 121.907 120.979 0.928 19045 1623 1 3 . 1 1 30 30 ASP HA H 30 4.521 4.521 4.375 0.146 19045 1624 1 3 . 1 1 30 30 ASP CA C 30 57.038 57.038 57.106 -0.068 19045 1625 1 3 . 1 1 30 30 ASP CB C 30 41.939 41.939 40.308 1.631 19045 1626 1 3 . 1 1 30 30 ASP H H 30 8.888 8.888 8.402 0.486 19045 1627 1 3 . 1 1 31 31 THR N N 31 114.861 114.861 116.899 -2.038 19045 1628 1 3 . 1 1 31 31 THR HA H 31 3.493 3.493 3.281 0.212 19045 1629 1 3 . 1 1 31 31 THR CA C 31 66.946 66.946 67.071 -0.125 19045 1630 1 3 . 1 1 31 31 THR CB C 31 68.523 68.523 69.018 -0.495 19045 1631 1 3 . 1 1 31 31 THR H H 31 8.069 8.069 8.117 -0.048 19045 1632 1 3 . 1 1 32 32 GLU N N 32 120.848 120.848 120.673 0.175 19045 1633 1 3 . 1 1 32 32 GLU HA H 32 3.597 3.597 3.894 -0.297 19045 1634 1 3 . 1 1 32 32 GLU CA C 32 60.899 60.899 59.441 1.458 19045 1635 1 3 . 1 1 32 32 GLU CB C 32 28.963 28.963 28.802 0.161 19045 1636 1 3 . 1 1 32 32 GLU H H 32 7.578 7.578 7.966 -0.389 19045 1637 1 3 . 1 1 33 33 GLU N N 33 117.741 117.741 119.925 -2.184 19045 1638 1 3 . 1 1 33 33 GLU HA H 33 3.938 3.938 4.059 -0.121 19045 1639 1 3 . 1 1 33 33 GLU CA C 33 58.768 58.768 59.153 -0.385 19045 1640 1 3 . 1 1 33 33 GLU CB C 33 29.708 29.708 29.551 0.157 19045 1641 1 3 . 1 1 33 33 GLU H H 33 7.446 7.446 7.951 -0.505 19045 1642 1 3 . 1 1 34 34 VAL N N 34 120.239 120.239 119.628 0.611 19045 1643 1 3 . 1 1 34 34 VAL HA H 34 3.108 3.108 3.634 -0.526 19045 1644 1 3 . 1 1 34 34 VAL CA C 34 66.979 66.979 66.212 0.767 19045 1645 1 3 . 1 1 34 34 VAL CB C 34 31.884 31.884 30.859 1.025 19045 1646 1 3 . 1 1 34 34 VAL H H 34 7.792 7.792 8.123 -0.331 19045 1647 1 3 . 1 1 35 35 PHE N N 35 117.559 117.559 121.223 -3.664 19045 1648 1 3 . 1 1 35 35 PHE HA H 35 4.209 4.209 4.066 0.143 19045 1649 1 3 . 1 1 35 35 PHE CA C 35 61.592 61.592 62.121 -0.529 19045 1650 1 3 . 1 1 35 35 PHE CB C 35 39.066 39.066 39.059 0.007 19045 1651 1 3 . 1 1 35 35 PHE H H 35 8.895 8.895 8.364 0.531 19045 1652 1 3 . 1 1 36 36 ARG N N 36 116.705 116.705 118.239 -1.534 19045 1653 1 3 . 1 1 36 36 ARG HA H 36 3.555 3.555 3.828 -0.273 19045 1654 1 3 . 1 1 36 36 ARG CA C 36 59.906 59.906 59.460 0.446 19045 1655 1 3 . 1 1 36 36 ARG CB C 36 29.654 29.654 29.749 -0.095 19045 1656 1 3 . 1 1 36 36 ARG H H 36 8.182 8.182 8.310 -0.128 19045 1657 1 3 . 1 1 37 37 SER N N 37 112.628 112.628 115.740 -3.112 19045 1658 1 3 . 1 1 37 37 SER HA H 37 4.122 4.122 4.306 -0.184 19045 1659 1 3 . 1 1 37 37 SER CA C 37 61.258 61.258 61.457 -0.199 19045 1660 1 3 . 1 1 37 37 SER CB C 37 63.089 63.089 62.665 0.424 19045 1661 1 3 . 1 1 37 37 SER H H 37 7.845 7.845 8.261 -0.416 19045 1662 1 3 . 1 1 38 38 TYR N N 38 122.458 122.458 125.146 -2.688 19045 1663 1 3 . 1 1 38 38 TYR HA H 38 3.927 3.927 4.293 -0.366 19045 1664 1 3 . 1 1 38 38 TYR CA C 38 62.006 62.006 61.446 0.560 19045 1665 1 3 . 1 1 38 38 TYR CB C 38 38.892 38.892 38.238 0.654 19045 1666 1 3 . 1 1 38 38 TYR H H 38 8.793 8.793 8.146 0.647 19045 1667 1 3 . 1 1 39 39 VAL N N 39 115.951 115.951 118.473 -2.522 19045 1668 1 3 . 1 1 39 39 VAL HA H 39 3.209 3.209 3.034 0.175 19045 1669 1 3 . 1 1 39 39 VAL CA C 39 65.982 65.982 65.534 0.449 19045 1670 1 3 . 1 1 39 39 VAL CB C 39 30.884 30.884 30.868 0.016 19045 1671 1 3 . 1 1 39 39 VAL H H 39 8.348 8.348 7.776 0.572 19045 1672 1 3 . 1 1 40 40 PHE N N 40 119.608 119.608 121.256 -1.648 19045 1673 1 3 . 1 1 40 40 PHE HA H 40 3.915 3.915 4.001 -0.086 19045 1674 1 3 . 1 1 40 40 PHE CA C 40 61.651 61.651 60.193 1.458 19045 1675 1 3 . 1 1 40 40 PHE CB C 40 39.411 39.411 38.542 0.869 19045 1676 1 3 . 1 1 40 40 PHE H H 40 7.596 7.596 7.946 -0.350 19045 1677 1 3 . 1 1 41 41 TYR N N 41 117.686 117.686 119.099 -1.413 19045 1678 1 3 . 1 1 41 41 TYR HA H 41 3.818 3.818 3.759 0.059 19045 1679 1 3 . 1 1 41 41 TYR CA C 41 63.446 63.446 60.628 2.818 19045 1680 1 3 . 1 1 41 41 TYR CB C 41 37.528 37.528 37.912 -0.384 19045 1681 1 3 . 1 1 41 41 TYR H H 41 8.578 8.578 8.328 0.250 19045 1682 1 3 . 1 1 42 42 ARG N N 42 121.382 121.382 118.932 2.450 19045 1683 1 3 . 1 1 42 42 ARG HA H 42 3.581 3.581 3.816 -0.235 19045 1684 1 3 . 1 1 42 42 ARG CA C 42 57.999 57.999 59.167 -1.169 19045 1685 1 3 . 1 1 42 42 ARG CB C 42 26.992 26.992 30.030 -3.038 19045 1686 1 3 . 1 1 42 42 ARG H H 42 8.784 8.784 7.880 0.904 19045 1687 1 3 . 1 1 43 43 HIS N N 43 118.684 118.684 117.872 0.812 19045 1688 1 3 . 1 1 43 43 HIS HA H 43 4.291 4.291 4.414 -0.123 19045 1689 1 3 . 1 1 43 43 HIS CA C 43 60.041 60.041 57.863 2.178 19045 1690 1 3 . 1 1 43 43 HIS CB C 43 27.938 27.938 29.282 -1.344 19045 1691 1 3 . 1 1 43 43 HIS H H 43 8.268 8.268 8.225 0.043 19045 1692 1 3 . 1 1 44 44 GLN N N 44 117.841 117.841 120.034 -2.193 19045 1693 1 3 . 1 1 44 44 GLN HA H 44 3.638 3.638 4.060 -0.422 19045 1694 1 3 . 1 1 44 44 GLN CA C 44 58.681 58.681 59.391 -0.710 19045 1695 1 3 . 1 1 44 44 GLN CB C 44 28.977 28.977 28.119 0.858 19045 1696 1 3 . 1 1 44 44 GLN H H 44 7.722 7.722 7.953 -0.231 19045 1697 1 3 . 1 1 45 45 GLN N N 45 117.756 117.756 115.468 2.288 19045 1698 1 3 . 1 1 45 45 GLN HA H 45 3.932 3.932 4.151 -0.219 19045 1699 1 3 . 1 1 45 45 GLN CA C 45 57.923 57.923 57.978 -0.056 19045 1700 1 3 . 1 1 45 45 GLN CB C 45 28.039 28.039 28.453 -0.414 19045 1701 1 3 . 1 1 45 45 GLN H H 45 7.808 7.808 7.513 0.295 19045 1702 1 3 . 1 1 46 46 GLU N N 46 119.876 119.876 120.936 -1.060 19045 1703 1 3 . 1 1 46 46 GLU HA H 46 3.951 3.951 4.019 -0.068 19045 1704 1 3 . 1 1 46 46 GLU CA C 46 58.956 58.956 59.306 -0.350 19045 1705 1 3 . 1 1 46 46 GLU CB C 46 29.166 29.166 29.534 -0.368 19045 1706 1 3 . 1 1 46 46 GLU H H 46 7.781 7.781 7.511 0.270 19045 1707 1 3 . 1 1 47 47 GLN N N 47 118.282 118.282 117.187 1.095 19045 1708 1 3 . 1 1 47 47 GLN HA H 47 3.800 3.800 4.146 -0.346 19045 1709 1 3 . 1 1 47 47 GLN CA C 47 57.892 57.892 58.173 -0.281 19045 1710 1 3 . 1 1 47 47 GLN CB C 47 28.662 28.662 28.140 0.522 19045 1711 1 3 . 1 1 47 47 GLN H H 47 7.775 7.775 8.508 -0.733 19045 1712 1 3 . 1 1 48 48 GLU N N 48 118.519 118.519 119.818 -1.299 19045 1713 1 3 . 1 1 48 48 GLU HA H 48 4.009 4.009 4.073 -0.064 19045 1714 1 3 . 1 1 48 48 GLU CA C 48 57.586 57.586 58.262 -0.676 19045 1715 1 3 . 1 1 48 48 GLU CB C 48 28.922 28.922 29.768 -0.846 19045 1716 1 3 . 1 1 48 48 GLU H H 48 7.721 7.721 7.767 -0.046 19045 1717 1 3 . 1 1 49 49 ALA N N 49 121.657 121.657 120.588 1.069 19045 1718 1 3 . 1 1 49 49 ALA HA H 49 4.140 4.140 4.313 -0.173 19045 1719 1 3 . 1 1 49 49 ALA CA C 49 53.389 53.389 53.233 0.156 19045 1720 1 3 . 1 1 49 49 ALA CB C 49 19.111 19.111 20.057 -0.946 19045 1721 1 3 . 1 1 49 49 ALA H H 49 7.675 7.675 7.651 0.024 19045 1722 1 3 . 1 1 50 50 GLU N N 50 116.803 116.803 114.324 2.479 19045 1723 1 3 . 1 1 50 50 GLU HA H 50 4.182 4.182 4.513 -0.331 19045 1724 1 3 . 1 1 50 50 GLU CA C 50 56.420 56.420 55.084 1.336 19045 1725 1 3 . 1 1 50 50 GLU CB C 50 29.798 29.798 31.967 -2.169 19045 1726 1 3 . 1 1 50 50 GLU H H 50 8.106 8.106 8.180 -0.074 19045 1727 1 3 . 1 1 51 51 GLY N N 51 109.812 109.812 108.088 1.724 19045 1728 1 3 . 1 1 51 51 GLY CA C 51 45.739 45.739 46.318 -0.579 19045 1729 1 3 . 1 1 51 51 GLY H H 51 8.060 8.060 8.553 -0.493 19045 1730 1 3 . 1 1 52 52 VAL N N 52 118.668 118.668 116.398 2.270 19045 1731 1 3 . 1 1 52 52 VAL HA H 52 4.001 4.001 3.863 0.138 19045 1732 1 3 . 1 1 52 52 VAL CA C 52 62.175 62.175 63.752 -1.577 19045 1733 1 3 . 1 1 52 52 VAL CB C 52 32.294 32.294 31.272 1.022 19045 1734 1 3 . 1 1 52 52 VAL H H 52 7.718 7.718 7.670 0.048 19045 1735 1 3 . 1 1 53 53 ALA N N 53 125.624 125.624 128.549 -2.925 19045 1736 1 3 . 1 1 53 53 ALA HA H 53 4.220 4.220 4.301 -0.081 19045 1737 1 3 . 1 1 53 53 ALA CA C 53 51.869 51.869 51.730 0.140 19045 1738 1 3 . 1 1 53 53 ALA CB C 53 19.065 19.065 18.674 0.391 19045 1739 1 3 . 1 1 53 53 ALA H H 53 8.073 8.073 8.247 -0.174 19045 1740 1 3 . 1 1 54 54 ALA N N 54 123.638 123.638 123.566 0.072 19045 1741 1 3 . 1 1 54 54 ALA HA H 54 4.472 4.472 4.463 0.009 19045 1742 1 3 . 1 1 54 54 ALA CA C 54 49.869 49.869 51.305 -1.436 19045 1743 1 3 . 1 1 54 54 ALA CB C 54 18.488 18.488 18.698 -0.210 19045 1744 1 3 . 1 1 54 54 ALA H H 54 7.718 7.718 8.028 -0.310 19045 1745 1 3 . 1 1 55 55 PRO HA H 55 4.292 4.292 4.357 -0.065 19045 1746 1 3 . 1 1 55 55 PRO CA C 55 62.966 62.966 62.402 0.564 19045 1747 1 3 . 1 1 55 55 PRO CB C 55 31.754 31.754 32.634 -0.880 19045 1748 1 3 . 1 1 56 56 ALA N N 56 124.218 124.218 123.394 0.824 19045 1749 1 3 . 1 1 56 56 ALA HA H 56 4.220 4.220 4.182 0.038 19045 1750 1 3 . 1 1 56 56 ALA CB C 56 19.119 19.119 18.544 0.575 19045 1751 1 3 . 1 1 56 56 ALA H H 56 8.259 8.259 8.118 0.141 19045 1752 1 3 . 1 1 57 57 ASP N N 57 120.884 120.884 123.692 -2.808 19045 1753 1 3 . 1 1 57 57 ASP HA H 57 4.572 4.572 4.821 -0.249 19045 1754 1 3 . 1 1 57 57 ASP CA C 57 52.742 52.742 53.237 -0.495 19045 1755 1 3 . 1 1 57 57 ASP CB C 57 41.642 41.642 42.281 -0.639 19045 1756 1 3 . 1 1 57 57 ASP H H 57 7.829 7.829 7.965 -0.136 19045 1757 1 3 . 1 1 58 58 PRO HA H 58 4.052 4.052 4.441 -0.389 19045 1758 1 3 . 1 1 58 58 PRO CA C 58 64.128 64.128 63.520 0.608 19045 1759 1 3 . 1 1 58 58 PRO CB C 58 31.989 31.989 32.025 -0.036 19045 1760 1 3 . 1 1 59 59 GLU HA H 59 4.549 4.549 4.295 0.254 19045 1761 1 3 . 1 1 59 59 GLU CA C 59 54.266 54.266 55.644 -1.378 19045 1762 1 3 . 1 1 59 59 GLU CB C 59 29.285 29.285 30.207 -0.922 19045 1763 1 3 . 1 1 60 60 MET HA H 60 3.846 3.846 4.131 -0.285 19045 1764 1 3 . 1 1 60 60 MET CA C 60 57.219 57.219 58.384 -1.165 19045 1765 1 3 . 1 1 60 60 MET CB C 60 31.894 31.894 32.249 -0.355 19045 1766 1 3 . 1 1 60 60 MET H H 60 7.070 7.070 8.619 -1.549 19045 1767 1 3 . 1 1 61 61 VAL N N 61 113.014 113.014 116.441 -3.427 19045 1768 1 3 . 1 1 61 61 VAL HA H 61 4.051 4.051 3.868 0.183 19045 1769 1 3 . 1 1 61 61 VAL CA C 61 62.799 62.799 64.143 -1.344 19045 1770 1 3 . 1 1 61 61 VAL CB C 61 31.993 31.993 31.170 0.823 19045 1771 1 3 . 1 1 61 61 VAL H H 61 6.833 6.833 8.056 -1.223 19045 1772 1 3 . 1 1 62 62 THR N N 62 110.188 110.188 109.168 1.020 19045 1773 1 3 . 1 1 62 62 THR HA H 62 4.230 4.230 3.779 0.451 19045 1774 1 3 . 1 1 62 62 THR CA C 62 60.947 60.947 64.623 -3.676 19045 1775 1 3 . 1 1 62 62 THR CB C 62 69.192 69.192 67.822 1.370 19045 1776 1 3 . 1 1 62 62 THR H H 62 7.101 7.101 7.224 -0.123 19045 1777 1 3 . 1 1 63 63 LEU N N 63 125.158 125.158 118.438 6.720 19045 1778 1 3 . 1 1 63 63 LEU HA H 63 4.205 4.205 4.854 -0.649 19045 1779 1 3 . 1 1 63 63 LEU CA C 63 52.688 52.688 51.757 0.931 19045 1780 1 3 . 1 1 63 63 LEU CB C 63 42.252 42.252 43.334 -1.081 19045 1781 1 3 . 1 1 63 63 LEU H H 63 7.079 7.079 7.504 -0.425 19045 1782 1 3 . 1 1 64 64 PRO HA H 64 4.282 4.282 4.419 -0.137 19045 1783 1 3 . 1 1 64 64 PRO CA C 64 62.613 62.613 62.988 -0.375 19045 1784 1 3 . 1 1 64 64 PRO CB C 64 30.705 30.705 30.473 0.233 19045 1785 1 3 . 1 1 65 65 LEU N N 65 122.384 122.384 123.293 -0.909 19045 1786 1 3 . 1 1 65 65 LEU HA H 65 4.234 4.234 4.421 -0.187 19045 1787 1 3 . 1 1 65 65 LEU CA C 65 54.499 54.499 55.005 -0.506 19045 1788 1 3 . 1 1 65 65 LEU CB C 65 43.438 43.438 43.885 -0.447 19045 1789 1 3 . 1 1 65 65 LEU H H 65 7.653 7.653 7.790 -0.137 19045 1790 1 3 . 1 1 66 66 GLN N N 66 121.802 121.802 121.664 0.138 19045 1791 1 3 . 1 1 66 66 GLN HA H 66 4.209 4.209 4.752 -0.543 19045 1792 1 3 . 1 1 66 66 GLN CA C 66 52.783 52.783 52.756 0.027 19045 1793 1 3 . 1 1 66 66 GLN CB C 66 28.136 28.136 28.730 -0.594 19045 1794 1 3 . 1 1 66 66 GLN H H 66 8.634 8.634 8.633 0.001 19045 1795 1 3 . 1 1 67 67 PRO HA H 67 4.139 4.139 4.471 -0.332 19045 1796 1 3 . 1 1 67 67 PRO CA C 67 64.488 64.488 64.001 0.487 19045 1797 1 3 . 1 1 67 67 PRO CB C 67 32.003 32.003 31.814 0.189 19045 1798 1 3 . 1 1 68 68 SER N N 68 111.024 111.024 113.777 -2.753 19045 1799 1 3 . 1 1 68 68 SER HA H 68 4.313 4.313 4.675 -0.362 19045 1800 1 3 . 1 1 68 68 SER CA C 68 57.991 57.991 58.485 -0.494 19045 1801 1 3 . 1 1 68 68 SER CB C 68 63.252 63.252 63.554 -0.302 19045 1802 1 3 . 1 1 68 68 SER H H 68 8.119 8.119 8.286 -0.167 19045 1803 1 3 . 1 1 69 69 SER N N 69 117.598 117.598 115.186 2.412 19045 1804 1 3 . 1 1 69 69 SER HA H 69 4.440 4.440 4.785 -0.345 19045 1805 1 3 . 1 1 69 69 SER CA C 69 57.518 57.518 57.054 0.464 19045 1806 1 3 . 1 1 69 69 SER CB C 69 64.587 64.587 65.643 -1.056 19045 1807 1 3 . 1 1 69 69 SER H H 69 7.723 7.723 7.592 0.131 19045 1808 1 3 . 1 1 70 70 THR N N 70 121.887 121.887 118.665 3.222 19045 1809 1 3 . 1 1 70 70 THR HA H 70 3.873 3.873 4.381 -0.508 19045 1810 1 3 . 1 1 70 70 THR CA C 70 66.723 66.723 65.549 1.174 19045 1811 1 3 . 1 1 70 70 THR CB C 70 68.385 68.385 69.311 -0.926 19045 1812 1 3 . 1 1 70 70 THR H H 70 8.827 8.827 8.691 0.136 19045 1813 1 3 . 1 1 71 71 MET N N 71 117.344 117.344 119.979 -2.635 19045 1814 1 3 . 1 1 71 71 MET HA H 71 4.469 4.469 4.133 0.336 19045 1815 1 3 . 1 1 71 71 MET CA C 71 56.260 56.260 59.541 -3.281 19045 1816 1 3 . 1 1 71 71 MET CB C 71 31.696 31.696 31.755 -0.059 19045 1817 1 3 . 1 1 71 71 MET H H 71 8.454 8.454 8.294 0.160 19045 1818 1 3 . 1 1 72 72 GLY N N 72 108.884 108.884 105.491 3.393 19045 1819 1 3 . 1 1 72 72 GLY CA C 72 46.884 46.884 47.272 -0.388 19045 1820 1 3 . 1 1 72 72 GLY H H 72 7.979 7.979 7.869 0.110 19045 1821 1 3 . 1 1 73 73 GLN N N 73 121.522 121.522 120.986 0.536 19045 1822 1 3 . 1 1 73 73 GLN HA H 73 3.857 3.857 4.205 -0.348 19045 1823 1 3 . 1 1 73 73 GLN CA C 73 58.220 58.220 58.273 -0.053 19045 1824 1 3 . 1 1 73 73 GLN CB C 73 28.309 28.309 28.205 0.104 19045 1825 1 3 . 1 1 73 73 GLN H H 73 7.859 7.859 7.532 0.327 19045 1826 1 3 . 1 1 74 74 VAL N N 74 121.291 121.291 122.309 -1.018 19045 1827 1 3 . 1 1 74 74 VAL HA H 74 3.359 3.359 3.646 -0.287 19045 1828 1 3 . 1 1 74 74 VAL CA C 74 67.150 67.150 66.077 1.073 19045 1829 1 3 . 1 1 74 74 VAL CB C 74 31.249 31.249 31.067 0.182 19045 1830 1 3 . 1 1 74 74 VAL H H 74 8.155 8.155 8.086 0.069 19045 1831 1 3 . 1 1 75 75 GLY N N 75 105.037 105.037 106.126 -1.089 19045 1832 1 3 . 1 1 75 75 GLY CA C 75 48.385 48.385 47.165 1.220 19045 1833 1 3 . 1 1 75 75 GLY H H 75 8.154 8.154 7.954 0.200 19045 1834 1 3 . 1 1 76 76 ARG N N 76 119.292 119.292 121.363 -2.071 19045 1835 1 3 . 1 1 76 76 ARG HA H 76 3.320 3.320 4.042 -0.722 19045 1836 1 3 . 1 1 76 76 ARG CA C 76 59.540 59.540 59.517 0.023 19045 1837 1 3 . 1 1 76 76 ARG CB C 76 30.130 30.130 30.279 -0.149 19045 1838 1 3 . 1 1 76 76 ARG H H 76 7.512 7.512 7.291 0.221 19045 1839 1 3 . 1 1 77 77 GLN N N 77 118.008 118.008 118.797 -0.789 19045 1840 1 3 . 1 1 77 77 GLN HA H 77 3.951 3.951 4.089 -0.138 19045 1841 1 3 . 1 1 77 77 GLN CA C 77 58.337 58.337 58.723 -0.386 19045 1842 1 3 . 1 1 77 77 GLN CB C 77 27.512 27.512 28.194 -0.682 19045 1843 1 3 . 1 1 77 77 GLN H H 77 7.852 7.852 7.607 0.245 19045 1844 1 3 . 1 1 78 78 LEU N N 78 116.018 116.018 119.445 -3.427 19045 1845 1 3 . 1 1 78 78 LEU HA H 78 4.078 4.078 3.953 0.125 19045 1846 1 3 . 1 1 78 78 LEU CA C 78 57.391 57.391 58.145 -0.754 19045 1847 1 3 . 1 1 78 78 LEU CB C 78 40.999 40.999 41.657 -0.659 19045 1848 1 3 . 1 1 78 78 LEU H H 78 8.412 8.412 8.369 0.043 19045 1849 1 3 . 1 1 79 79 ALA N N 79 120.914 120.914 120.447 0.467 19045 1850 1 3 . 1 1 79 79 ALA HA H 79 3.896 3.896 3.974 -0.078 19045 1851 1 3 . 1 1 79 79 ALA CA C 79 54.789 54.789 54.861 -0.072 19045 1852 1 3 . 1 1 79 79 ALA CB C 79 17.880 17.880 17.988 -0.108 19045 1853 1 3 . 1 1 79 79 ALA H H 79 7.789 7.789 7.990 -0.201 19045 1854 1 3 . 1 1 80 80 ILE N N 80 117.984 117.984 118.381 -0.397 19045 1855 1 3 . 1 1 80 80 ILE HA H 80 3.895 3.895 4.031 -0.136 19045 1856 1 3 . 1 1 80 80 ILE CA C 80 63.576 63.576 64.385 -0.809 19045 1857 1 3 . 1 1 80 80 ILE CB C 80 38.607 38.607 38.634 -0.027 19045 1858 1 3 . 1 1 80 80 ILE H H 80 7.690 7.690 7.523 0.167 19045 1859 1 3 . 1 1 81 81 ILE HA H 81 3.984 3.984 3.953 0.031 19045 1860 1 3 . 1 1 81 81 ILE CA C 81 63.608 63.608 64.197 -0.589 19045 1861 1 3 . 1 1 81 81 ILE CB C 81 37.587 37.587 37.362 0.225 19045 1862 1 3 . 1 1 81 81 ILE H H 81 7.910 7.910 8.195 -0.285 19045 1863 1 3 . 1 1 82 82 GLY CA C 82 45.566 45.566 44.777 0.789 19045 1864 1 3 . 1 1 82 82 GLY H H 82 7.765 7.765 8.244 -0.479 19045 1865 1 3 . 1 1 83 83 ASP N N 83 119.914 119.914 123.384 -3.470 19045 1866 1 3 . 1 1 83 83 ASP HA H 83 4.332 4.332 4.434 -0.102 19045 1867 1 3 . 1 1 83 83 ASP CA C 83 58.161 58.161 58.181 -0.020 19045 1868 1 3 . 1 1 83 83 ASP CB C 83 41.771 41.771 40.990 0.781 19045 1869 1 3 . 1 1 83 83 ASP H H 83 7.400 7.400 7.715 -0.315 19045 1870 1 3 . 1 1 84 84 ASP N N 84 116.566 116.566 119.161 -2.595 19045 1871 1 3 . 1 1 84 84 ASP HA H 84 4.200 4.200 4.448 -0.248 19045 1872 1 3 . 1 1 84 84 ASP CA C 84 57.270 57.270 57.195 0.075 19045 1873 1 3 . 1 1 84 84 ASP CB C 84 40.593 40.593 40.225 0.368 19045 1874 1 3 . 1 1 84 84 ASP H H 84 8.523 8.523 8.188 0.335 19045 1875 1 3 . 1 1 85 85 ILE N N 85 120.454 120.454 119.330 1.124 19045 1876 1 3 . 1 1 85 85 ILE HA H 85 3.753 3.753 3.827 -0.074 19045 1877 1 3 . 1 1 85 85 ILE CA C 85 63.782 63.782 64.648 -0.866 19045 1878 1 3 . 1 1 85 85 ILE CB C 85 37.546 37.546 37.158 0.388 19045 1879 1 3 . 1 1 85 85 ILE H H 85 7.707 7.707 8.079 -0.372 19045 1880 1 3 . 1 1 86 86 ASN N N 86 118.583 118.583 118.961 -0.378 19045 1881 1 3 . 1 1 86 86 ASN HA H 86 4.472 4.472 4.551 -0.079 19045 1882 1 3 . 1 1 86 86 ASN CA C 86 56.087 56.087 55.801 0.286 19045 1883 1 3 . 1 1 86 86 ASN CB C 86 37.614 37.614 38.348 -0.734 19045 1884 1 3 . 1 1 86 86 ASN H H 86 8.440 8.440 8.185 0.255 19045 1885 1 3 . 1 1 87 87 ARG N N 87 117.819 117.819 117.974 -0.155 19045 1886 1 3 . 1 1 87 87 ARG HA H 87 4.043 4.043 4.188 -0.145 19045 1887 1 3 . 1 1 87 87 ARG CA C 87 59.035 59.035 58.445 0.590 19045 1888 1 3 . 1 1 87 87 ARG CB C 87 29.845 29.845 29.321 0.524 19045 1889 1 3 . 1 1 87 87 ARG H H 87 8.214 8.214 7.939 0.275 19045 1890 1 3 . 1 1 88 88 ARG N N 88 117.971 117.971 120.041 -2.070 19045 1891 1 3 . 1 1 88 88 ARG HA H 88 3.965 3.965 4.059 -0.094 19045 1892 1 3 . 1 1 88 88 ARG CA C 88 58.161 58.161 59.176 -1.015 19045 1893 1 3 . 1 1 88 88 ARG CB C 88 30.376 30.376 30.668 -0.292 19045 1894 1 3 . 1 1 88 88 ARG H H 88 7.438 7.438 8.057 -0.619 19045 1895 1 3 . 1 1 89 89 TYR N N 89 114.591 114.591 114.206 0.385 19045 1896 1 3 . 1 1 89 89 TYR HA H 89 4.753 4.753 4.623 0.130 19045 1897 1 3 . 1 1 89 89 TYR CA C 89 59.481 59.481 57.708 1.774 19045 1898 1 3 . 1 1 89 89 TYR CB C 89 39.610 39.610 37.238 2.372 19045 1899 1 3 . 1 1 89 89 TYR H H 89 7.635 7.635 8.134 -0.499 19045 1900 1 3 . 1 1 90 90 ASP HA H 90 4.820 4.820 4.661 0.159 19045 1901 1 3 . 1 1 90 90 ASP CA C 90 58.200 58.200 57.006 1.194 19045 1902 1 3 . 1 1 90 90 ASP CB C 90 41.407 41.407 41.252 0.156 19045 1903 1 3 . 1 1 90 90 ASP H H 90 8.282 8.282 7.452 0.830 19045 1904 1 3 . 1 1 91 91 SER N N 91 115.266 115.266 115.522 -0.256 19045 1905 1 3 . 1 1 91 91 SER HA H 91 4.170 4.170 4.064 0.106 19045 1906 1 3 . 1 1 91 91 SER CA C 91 61.780 61.780 62.984 -1.204 19045 1907 1 3 . 1 1 91 91 SER CB C 91 61.891 61.891 63.179 -1.288 19045 1908 1 3 . 1 1 91 91 SER H H 91 8.717 8.717 8.264 0.453 19045 1909 1 3 . 1 1 92 92 GLU N N 92 122.093 122.093 119.772 2.321 19045 1910 1 3 . 1 1 92 92 GLU HA H 92 4.056 4.056 4.072 -0.016 19045 1911 1 3 . 1 1 92 92 GLU CA C 92 58.928 58.928 59.086 -0.158 19045 1912 1 3 . 1 1 92 92 GLU CB C 92 29.796 29.796 29.349 0.447 19045 1913 1 3 . 1 1 92 92 GLU H H 92 8.025 8.025 8.817 -0.792 19045 1914 1 3 . 1 1 93 93 PHE HA H 93 4.171 4.171 4.463 -0.292 19045 1915 1 3 . 1 1 93 93 PHE CA C 93 60.704 60.704 59.759 0.945 19045 1916 1 3 . 1 1 93 93 PHE CB C 93 38.780 38.780 40.162 -1.382 19045 1917 1 3 . 1 1 93 93 PHE H H 93 7.801 7.801 7.898 -0.097 19045 1918 1 3 . 1 1 94 94 GLN N N 94 118.578 118.578 120.384 -1.806 19045 1919 1 3 . 1 1 94 94 GLN HA H 94 3.847 3.847 3.930 -0.083 19045 1920 1 3 . 1 1 94 94 GLN CA C 94 59.981 59.981 59.463 0.518 19045 1921 1 3 . 1 1 94 94 GLN CB C 94 28.415 28.415 28.863 -0.448 19045 1922 1 3 . 1 1 94 94 GLN H H 94 8.609 8.609 8.694 -0.085 19045 1923 1 3 . 1 1 95 95 THR N N 95 116.128 116.128 116.482 -0.354 19045 1924 1 3 . 1 1 95 95 THR HA H 95 3.811 3.811 3.894 -0.083 19045 1925 1 3 . 1 1 95 95 THR CA C 95 66.391 66.391 66.924 -0.533 19045 1926 1 3 . 1 1 95 95 THR CB C 95 68.361 68.361 68.689 -0.328 19045 1927 1 3 . 1 1 95 95 THR H H 95 7.826 7.826 8.525 -0.699 19045 1928 1 3 . 1 1 96 96 MET N N 96 120.474 120.474 117.177 3.297 19045 1929 1 3 . 1 1 96 96 MET HA H 96 3.933 3.933 3.749 0.184 19045 1930 1 3 . 1 1 96 96 MET CA C 96 59.949 59.949 57.811 2.138 19045 1931 1 3 . 1 1 96 96 MET CB C 96 33.087 33.087 31.956 1.131 19045 1932 1 3 . 1 1 96 96 MET H H 96 7.728 7.728 7.323 0.405 19045 1933 1 3 . 1 1 97 97 LEU N N 97 118.904 118.904 121.041 -2.137 19045 1934 1 3 . 1 1 97 97 LEU HA H 97 3.604 3.604 3.743 -0.139 19045 1935 1 3 . 1 1 97 97 LEU CA C 97 57.771 57.771 57.865 -0.094 19045 1936 1 3 . 1 1 97 97 LEU CB C 97 40.836 40.836 40.349 0.487 19045 1937 1 3 . 1 1 97 97 LEU H H 97 8.112 8.112 7.688 0.424 19045 1938 1 3 . 1 1 98 98 GLN N N 98 116.798 116.798 116.431 0.367 19045 1939 1 3 . 1 1 98 98 GLN HA H 98 4.003 4.003 4.007 -0.004 19045 1940 1 3 . 1 1 98 98 GLN CA C 98 58.337 58.337 58.162 0.175 19045 1941 1 3 . 1 1 98 98 GLN CB C 98 27.659 27.659 28.793 -1.134 19045 1942 1 3 . 1 1 98 98 GLN H H 98 7.754 7.754 7.853 -0.099 19045 1943 1 3 . 1 1 99 99 HIS N N 99 115.943 115.943 116.382 -0.439 19045 1944 1 3 . 1 1 99 99 HIS HA H 99 4.442 4.442 4.353 0.089 19045 1945 1 3 . 1 1 99 99 HIS CA C 99 57.025 57.025 57.468 -0.443 19045 1946 1 3 . 1 1 99 99 HIS CB C 99 28.848 28.848 30.176 -1.328 19045 1947 1 3 . 1 1 99 99 HIS H H 99 7.504 7.504 7.688 -0.184 19045 1948 1 3 . 1 1 100 100 LEU N N 100 121.347 121.347 120.531 0.816 19045 1949 1 3 . 1 1 100 100 LEU HA H 100 3.803 3.803 3.957 -0.154 19045 1950 1 3 . 1 1 100 100 LEU CA C 100 56.801 56.801 56.882 -0.081 19045 1951 1 3 . 1 1 100 100 LEU CB C 100 42.563 42.563 42.482 0.081 19045 1952 1 3 . 1 1 100 100 LEU H H 100 8.013 8.013 7.607 0.406 19045 1953 1 3 . 1 1 101 101 GLN N N 101 110.029 110.029 115.607 -5.578 19045 1954 1 3 . 1 1 101 101 GLN HA H 101 4.003 4.003 4.125 -0.122 19045 1955 1 3 . 1 1 101 101 GLN CA C 101 55.685 55.685 55.859 -0.174 19045 1956 1 3 . 1 1 101 101 GLN CB C 101 27.301 27.301 26.616 0.685 19045 1957 1 3 . 1 1 101 101 GLN H H 101 7.763 7.763 7.724 0.039 19045 1958 1 3 . 1 1 102 102 PRO HA H 102 4.926 4.926 4.626 0.300 19045 1959 1 3 . 1 1 102 102 PRO CA C 102 62.372 62.372 63.076 -0.704 19045 1960 1 3 . 1 1 102 102 PRO CB C 102 31.963 31.963 32.774 -0.811 19045 1961 1 3 . 1 1 103 103 THR N N 103 114.119 114.119 106.877 7.242 19045 1962 1 3 . 1 1 103 103 THR HA H 103 4.420 4.420 4.503 -0.083 19045 1963 1 3 . 1 1 103 103 THR CA C 103 58.716 58.716 59.816 -1.100 19045 1964 1 3 . 1 1 103 103 THR CB C 103 72.929 72.929 71.678 1.251 19045 1965 1 3 . 1 1 103 103 THR H H 103 9.386 9.386 8.075 1.311 19045 1966 1 3 . 1 1 104 104 ALA N N 104 120.374 120.374 121.444 -1.070 19045 1967 1 3 . 1 1 104 104 ALA HA H 104 3.737 3.737 4.669 -0.932 19045 1968 1 3 . 1 1 104 104 ALA CA C 104 54.782 54.782 54.718 0.064 19045 1969 1 3 . 1 1 104 104 ALA CB C 104 18.050 18.050 18.594 -0.544 19045 1970 1 3 . 1 1 104 104 ALA H H 104 8.723 8.723 8.496 0.227 19045 1971 1 3 . 1 1 105 105 GLU N N 105 113.834 113.834 115.863 -2.029 19045 1972 1 3 . 1 1 105 105 GLU HA H 105 4.122 4.122 4.285 -0.163 19045 1973 1 3 . 1 1 105 105 GLU CA C 105 58.707 58.707 58.908 -0.201 19045 1974 1 3 . 1 1 105 105 GLU CB C 105 29.445 29.445 29.242 0.203 19045 1975 1 3 . 1 1 105 105 GLU H H 105 7.969 7.969 8.620 -0.651 19045 1976 1 3 . 1 1 106 106 ASN N N 106 114.135 114.135 117.175 -3.040 19045 1977 1 3 . 1 1 106 106 ASN HA H 106 4.781 4.781 4.307 0.474 19045 1978 1 3 . 1 1 106 106 ASN CA C 106 52.222 52.222 52.704 -0.482 19045 1979 1 3 . 1 1 106 106 ASN CB C 106 38.983 38.983 38.736 0.247 19045 1980 1 3 . 1 1 106 106 ASN H H 106 7.151 7.151 7.785 -0.634 19045 1981 1 3 . 1 1 107 107 ALA N N 107 121.280 121.280 123.511 -2.231 19045 1982 1 3 . 1 1 107 107 ALA HA H 107 3.858 3.858 4.258 -0.400 19045 1983 1 3 . 1 1 107 107 ALA CA C 107 56.988 56.988 55.520 1.468 19045 1984 1 3 . 1 1 107 107 ALA CB C 107 18.278 18.278 18.922 -0.644 19045 1985 1 3 . 1 1 107 107 ALA H H 107 7.940 7.940 8.048 -0.108 19045 1986 1 3 . 1 1 108 108 TYR N N 108 117.339 117.339 116.400 0.939 19045 1987 1 3 . 1 1 108 108 TYR HA H 108 3.048 3.048 4.170 -1.122 19045 1988 1 3 . 1 1 108 108 TYR CA C 108 60.578 60.578 60.206 0.372 19045 1989 1 3 . 1 1 108 108 TYR CB C 108 36.804 36.804 36.535 0.269 19045 1990 1 3 . 1 1 108 108 TYR H H 108 8.783 8.783 8.381 0.402 19045 1991 1 3 . 1 1 109 109 GLU N N 109 123.316 123.316 121.282 2.034 19045 1992 1 3 . 1 1 109 109 GLU HA H 109 3.681 3.681 3.767 -0.086 19045 1993 1 3 . 1 1 109 109 GLU CA C 109 59.152 59.152 58.545 0.607 19045 1994 1 3 . 1 1 109 109 GLU CB C 109 28.782 28.782 28.419 0.363 19045 1995 1 3 . 1 1 109 109 GLU H H 109 8.084 8.084 7.538 0.546 19045 1996 1 3 . 1 1 110 110 TYR N N 110 117.254 117.254 116.709 0.545 19045 1997 1 3 . 1 1 110 110 TYR HA H 110 4.339 4.339 4.447 -0.108 19045 1998 1 3 . 1 1 110 110 TYR CA C 110 58.527 58.527 58.755 -0.228 19045 1999 1 3 . 1 1 110 110 TYR CB C 110 36.323 36.323 38.382 -2.059 19045 2000 1 3 . 1 1 110 110 TYR H H 110 8.282 8.282 7.617 0.665 19045 2001 1 3 . 1 1 111 111 PHE N N 111 119.028 119.028 121.092 -2.064 19045 2002 1 3 . 1 1 111 111 PHE HA H 111 3.889 3.889 4.219 -0.330 19045 2003 1 3 . 1 1 111 111 PHE CA C 111 62.350 62.350 61.489 0.861 19045 2004 1 3 . 1 1 111 111 PHE CB C 111 39.369 39.369 39.215 0.153 19045 2005 1 3 . 1 1 111 111 PHE H H 111 9.197 9.197 8.943 0.254 19045 2006 1 3 . 1 1 112 112 THR N N 112 113.669 113.669 111.726 1.943 19045 2007 1 3 . 1 1 112 112 THR HA H 112 3.411 3.411 3.124 0.287 19045 2008 1 3 . 1 1 112 112 THR CA C 112 67.185 67.185 66.122 1.063 19045 2009 1 3 . 1 1 112 112 THR CB C 112 68.294 68.294 68.440 -0.146 19045 2010 1 3 . 1 1 112 112 THR H H 112 8.315 8.315 8.395 -0.080 19045 2011 1 3 . 1 1 113 113 LYS N N 113 124.090 124.090 121.909 2.181 19045 2012 1 3 . 1 1 113 113 LYS HA H 113 3.854 3.854 4.111 -0.257 19045 2013 1 3 . 1 1 113 113 LYS CA C 113 60.416 60.416 58.986 1.430 19045 2014 1 3 . 1 1 113 113 LYS CB C 113 33.219 33.219 32.099 1.120 19045 2015 1 3 . 1 1 113 113 LYS H H 113 8.335 8.335 7.172 1.163 19045 2016 1 3 . 1 1 114 114 ILE N N 114 120.457 120.457 119.545 0.912 19045 2017 1 3 . 1 1 114 114 ILE HA H 114 3.145 3.145 3.665 -0.520 19045 2018 1 3 . 1 1 114 114 ILE CA C 114 65.550 65.550 63.222 2.328 19045 2019 1 3 . 1 1 114 114 ILE CB C 114 37.402 37.402 36.200 1.202 19045 2020 1 3 . 1 1 114 114 ILE H H 114 8.042 8.042 7.803 0.239 19045 2021 1 3 . 1 1 115 115 ALA N N 115 121.066 121.066 122.918 -1.852 19045 2022 1 3 . 1 1 115 115 ALA HA H 115 3.219 3.219 3.838 -0.619 19045 2023 1 3 . 1 1 115 115 ALA CA C 115 54.940 54.940 55.256 -0.316 19045 2024 1 3 . 1 1 115 115 ALA CB C 115 16.345 16.345 17.461 -1.116 19045 2025 1 3 . 1 1 115 115 ALA H H 115 8.208 8.208 7.996 0.212 19045 2026 1 3 . 1 1 116 116 THR N N 116 112.803 112.803 115.993 -3.190 19045 2027 1 3 . 1 1 116 116 THR HA H 116 3.808 3.808 4.368 -0.560 19045 2028 1 3 . 1 1 116 116 THR CA C 116 67.557 67.557 66.048 1.509 19045 2029 1 3 . 1 1 116 116 THR CB C 116 68.431 68.431 68.621 -0.190 19045 2030 1 3 . 1 1 116 116 THR H H 116 7.893 7.893 7.750 0.143 19045 2031 1 3 . 1 1 117 117 SER N N 117 115.935 115.935 116.057 -0.122 19045 2032 1 3 . 1 1 117 117 SER HA H 117 4.070 4.070 4.310 -0.240 19045 2033 1 3 . 1 1 117 117 SER CA C 117 61.879 61.879 61.356 0.523 19045 2034 1 3 . 1 1 117 117 SER CB C 117 62.907 62.907 63.213 -0.306 19045 2035 1 3 . 1 1 117 117 SER H H 117 7.139 7.139 7.939 -0.800 19045 2036 1 3 . 1 1 118 118 LEU N N 118 123.462 123.462 123.021 0.441 19045 2037 1 3 . 1 1 118 118 LEU HA H 118 3.596 3.596 3.860 -0.264 19045 2038 1 3 . 1 1 118 118 LEU CA C 118 58.014 58.014 57.724 0.290 19045 2039 1 3 . 1 1 118 118 LEU CB C 118 41.687 41.687 42.271 -0.584 19045 2040 1 3 . 1 1 118 118 LEU H H 118 7.844 7.844 7.769 0.075 19045 2041 1 3 . 1 1 119 119 PHE N N 119 110.270 110.270 112.350 -2.080 19045 2042 1 3 . 1 1 119 119 PHE HA H 119 4.721 4.721 4.776 -0.055 19045 2043 1 3 . 1 1 119 119 PHE CA C 119 58.698 58.698 57.160 1.538 19045 2044 1 3 . 1 1 119 119 PHE CB C 119 38.838 38.838 37.728 1.110 19045 2045 1 3 . 1 1 119 119 PHE H H 119 6.878 6.878 8.317 -1.439 19045 2046 1 3 . 1 1 120 120 GLU N N 120 123.135 123.135 119.732 3.403 19045 2047 1 3 . 1 1 120 120 GLU HA H 120 4.016 4.016 4.251 -0.235 19045 2048 1 3 . 1 1 120 120 GLU CA C 120 59.532 59.532 58.146 1.386 19045 2049 1 3 . 1 1 120 120 GLU CB C 120 29.337 29.337 30.025 -0.688 19045 2050 1 3 . 1 1 120 120 GLU H H 120 7.551 7.551 7.696 -0.145 19045 2051 1 3 . 1 1 121 121 SER N N 121 107.983 107.983 114.604 -6.621 19045 2052 1 3 . 1 1 121 121 SER HA H 121 4.522 4.522 4.480 0.042 19045 2053 1 3 . 1 1 121 121 SER CA C 121 57.342 57.342 59.727 -2.385 19045 2054 1 3 . 1 1 121 121 SER CB C 121 63.353 63.353 64.208 -0.855 19045 2055 1 3 . 1 1 121 121 SER H H 121 7.712 7.712 8.285 -0.573 19045 2056 1 3 . 1 1 122 122 GLY N N 122 110.748 110.748 107.633 3.115 19045 2057 1 3 . 1 1 122 122 GLY CA C 122 44.419 44.419 44.683 -0.264 19045 2058 1 3 . 1 1 122 122 GLY H H 122 7.317 7.317 7.942 -0.625 19045 2059 1 3 . 1 1 123 123 ILE N N 123 117.061 117.061 118.319 -1.258 19045 2060 1 3 . 1 1 123 123 ILE HA H 123 3.724 3.724 4.151 -0.427 19045 2061 1 3 . 1 1 123 123 ILE CA C 123 61.383 61.383 60.325 1.058 19045 2062 1 3 . 1 1 123 123 ILE CB C 123 40.588 40.588 39.001 1.587 19045 2063 1 3 . 1 1 123 123 ILE H H 123 7.963 7.963 8.227 -0.264 19045 2064 1 3 . 1 1 124 124 ASN N N 124 117.915 117.915 122.342 -4.427 19045 2065 1 3 . 1 1 124 124 ASN HA H 124 4.204 4.204 4.859 -0.655 19045 2066 1 3 . 1 1 124 124 ASN CA C 124 51.886 51.886 52.425 -0.539 19045 2067 1 3 . 1 1 124 124 ASN CB C 124 39.033 39.033 41.319 -2.286 19045 2068 1 3 . 1 1 124 124 ASN H H 124 6.434 6.434 7.885 -1.451 19045 2069 1 3 . 1 1 125 125 TRP N N 125 119.673 119.673 123.290 -3.617 19045 2070 1 3 . 1 1 125 125 TRP HA H 125 4.470 4.470 4.508 -0.038 19045 2071 1 3 . 1 1 125 125 TRP CA C 125 61.257 61.257 61.100 0.157 19045 2072 1 3 . 1 1 125 125 TRP CB C 125 30.287 30.287 29.546 0.741 19045 2073 1 3 . 1 1 125 125 TRP H H 125 8.824 8.824 9.062 -0.238 19045 2074 1 3 . 1 1 126 126 GLY N N 126 107.516 107.516 105.871 1.645 19045 2075 1 3 . 1 1 126 126 GLY CA C 126 48.294 48.294 47.252 1.042 19045 2076 1 3 . 1 1 126 126 GLY H H 126 9.118 9.118 8.870 0.248 19045 2077 1 3 . 1 1 127 127 ARG N N 127 119.610 119.610 121.946 -2.336 19045 2078 1 3 . 1 1 127 127 ARG HA H 127 3.742 3.742 3.985 -0.243 19045 2079 1 3 . 1 1 127 127 ARG CA C 127 59.551 59.551 58.946 0.605 19045 2080 1 3 . 1 1 127 127 ARG CB C 127 31.163 31.163 29.858 1.306 19045 2081 1 3 . 1 1 127 127 ARG H H 127 8.616 8.616 7.364 1.252 19045 2082 1 3 . 1 1 128 128 VAL N N 128 120.289 120.289 120.242 0.047 19045 2083 1 3 . 1 1 128 128 VAL HA H 128 3.662 3.662 3.986 -0.324 19045 2084 1 3 . 1 1 128 128 VAL CA C 128 68.387 68.387 66.940 1.447 19045 2085 1 3 . 1 1 128 128 VAL CB C 128 31.127 31.127 31.488 -0.361 19045 2086 1 3 . 1 1 128 128 VAL H H 128 7.762 7.762 8.029 -0.267 19045 2087 1 3 . 1 1 129 129 VAL N N 129 119.577 119.577 117.149 2.428 19045 2088 1 3 . 1 1 129 129 VAL HA H 129 3.449 3.449 3.664 -0.215 19045 2089 1 3 . 1 1 129 129 VAL CA C 129 67.772 67.772 66.398 1.374 19045 2090 1 3 . 1 1 129 129 VAL CB C 129 30.918 30.918 30.411 0.507 19045 2091 1 3 . 1 1 129 129 VAL H H 129 8.433 8.433 8.287 0.146 19045 2092 1 3 . 1 1 130 130 ALA N N 130 123.330 123.330 124.149 -0.819 19045 2093 1 3 . 1 1 130 130 ALA HA H 130 4.069 4.069 4.124 -0.055 19045 2094 1 3 . 1 1 130 130 ALA CA C 130 54.978 54.978 54.990 -0.012 19045 2095 1 3 . 1 1 130 130 ALA CB C 130 17.446 17.446 18.450 -1.004 19045 2096 1 3 . 1 1 130 130 ALA H H 130 8.766 8.766 8.286 0.480 19045 2097 1 3 . 1 1 131 131 LEU N N 131 120.040 120.040 120.012 0.028 19045 2098 1 3 . 1 1 131 131 LEU HA H 131 3.961 3.961 4.511 -0.550 19045 2099 1 3 . 1 1 131 131 LEU CA C 131 58.353 58.353 58.405 -0.052 19045 2100 1 3 . 1 1 131 131 LEU CB C 131 40.750 40.750 42.322 -1.572 19045 2101 1 3 . 1 1 131 131 LEU H H 131 8.178 8.178 8.052 0.126 19045 2102 1 3 . 1 1 132 132 LEU N N 132 119.150 119.150 117.556 1.594 19045 2103 1 3 . 1 1 132 132 LEU HA H 132 3.952 3.952 4.288 -0.336 19045 2104 1 3 . 1 1 132 132 LEU CA C 132 58.620 58.620 57.847 0.773 19045 2105 1 3 . 1 1 132 132 LEU CB C 132 38.835 38.835 40.833 -1.998 19045 2106 1 3 . 1 1 132 132 LEU H H 132 7.927 7.927 7.623 0.304 19045 2107 1 3 . 1 1 133 133 GLY N N 133 107.066 107.066 108.180 -1.114 19045 2108 1 3 . 1 1 133 133 GLY CA C 133 48.339 48.339 47.687 0.652 19045 2109 1 3 . 1 1 133 133 GLY H H 133 8.752 8.752 8.383 0.369 19045 2110 1 3 . 1 1 134 134 PHE N N 134 123.521 123.521 121.456 2.065 19045 2111 1 3 . 1 1 134 134 PHE HA H 134 4.601 4.601 4.584 0.017 19045 2112 1 3 . 1 1 134 134 PHE CA C 134 59.884 59.884 58.474 1.409 19045 2113 1 3 . 1 1 134 134 PHE CB C 134 38.622 38.622 38.412 0.210 19045 2114 1 3 . 1 1 134 134 PHE H H 134 8.606 8.606 8.534 0.072 19045 2115 1 3 . 1 1 135 135 GLY N N 135 106.412 106.412 109.669 -3.257 19045 2116 1 3 . 1 1 135 135 GLY CA C 135 47.731 47.731 47.155 0.576 19045 2117 1 3 . 1 1 135 135 GLY H H 135 8.715 8.715 7.831 0.884 19045 2118 1 3 . 1 1 136 136 TYR N N 136 121.461 121.461 123.035 -1.574 19045 2119 1 3 . 1 1 136 136 TYR HA H 136 4.116 4.116 4.359 -0.243 19045 2120 1 3 . 1 1 136 136 TYR CA C 136 61.564 61.564 61.607 -0.043 19045 2121 1 3 . 1 1 136 136 TYR CB C 136 38.469 38.469 38.809 -0.340 19045 2122 1 3 . 1 1 136 136 TYR H H 136 8.809 8.809 8.047 0.762 19045 2123 1 3 . 1 1 137 137 ARG N N 137 117.518 117.518 120.396 -2.878 19045 2124 1 3 . 1 1 137 137 ARG HA H 137 3.647 3.647 4.168 -0.521 19045 2125 1 3 . 1 1 137 137 ARG CA C 137 58.904 58.904 60.120 -1.216 19045 2126 1 3 . 1 1 137 137 ARG CB C 137 29.189 29.189 30.359 -1.170 19045 2127 1 3 . 1 1 137 137 ARG H H 137 8.646 8.646 7.898 0.748 19045 2128 1 3 . 1 1 138 138 LEU N N 138 121.658 121.658 119.791 1.867 19045 2129 1 3 . 1 1 138 138 LEU HA H 138 3.905 3.905 4.250 -0.345 19045 2130 1 3 . 1 1 138 138 LEU CA C 138 58.454 58.454 58.370 0.084 19045 2131 1 3 . 1 1 138 138 LEU CB C 138 41.801 41.801 42.310 -0.509 19045 2132 1 3 . 1 1 138 138 LEU H H 138 9.065 9.065 8.497 0.568 19045 2133 1 3 . 1 1 139 139 ALA N N 139 120.012 120.012 121.382 -1.370 19045 2134 1 3 . 1 1 139 139 ALA HA H 139 4.004 4.004 4.428 -0.424 19045 2135 1 3 . 1 1 139 139 ALA CA C 139 55.174 55.174 55.273 -0.098 19045 2136 1 3 . 1 1 139 139 ALA CB C 139 17.943 17.943 18.295 -0.352 19045 2137 1 3 . 1 1 139 139 ALA H H 139 8.237 8.237 7.976 0.261 19045 2138 1 3 . 1 1 140 140 LEU N N 140 119.522 119.522 119.876 -0.354 19045 2139 1 3 . 1 1 140 140 LEU HA H 140 4.000 4.000 4.265 -0.265 19045 2140 1 3 . 1 1 140 140 LEU CA C 140 57.805 57.805 57.800 0.006 19045 2141 1 3 . 1 1 140 140 LEU CB C 140 42.324 42.324 41.194 1.130 19045 2142 1 3 . 1 1 140 140 LEU H H 140 8.191 8.191 8.399 -0.208 19045 2143 1 3 . 1 1 141 141 HIS N N 141 117.834 117.834 118.825 -0.991 19045 2144 1 3 . 1 1 141 141 HIS HA H 141 4.183 4.183 4.392 -0.209 19045 2145 1 3 . 1 1 141 141 HIS CA C 141 60.960 60.960 60.142 0.818 19045 2146 1 3 . 1 1 141 141 HIS CB C 141 31.708 31.708 30.624 1.084 19045 2147 1 3 . 1 1 141 141 HIS H H 141 8.253 8.253 8.285 -0.032 19045 2148 1 3 . 1 1 142 142 VAL N N 142 113.700 113.700 114.554 -0.854 19045 2149 1 3 . 1 1 142 142 VAL HA H 142 3.887 3.887 4.093 -0.206 19045 2150 1 3 . 1 1 142 142 VAL CA C 142 65.948 65.948 63.528 2.420 19045 2151 1 3 . 1 1 142 142 VAL CB C 142 30.264 30.264 31.204 -0.940 19045 2152 1 3 . 1 1 142 142 VAL H H 142 8.455 8.455 7.632 0.823 19045 2153 1 3 . 1 1 143 143 TYR N N 143 123.307 123.307 121.920 1.387 19045 2154 1 3 . 1 1 143 143 TYR HA H 143 4.320 4.320 4.057 0.263 19045 2155 1 3 . 1 1 143 143 TYR CA C 143 61.934 61.934 61.331 0.603 19045 2156 1 3 . 1 1 143 143 TYR CB C 143 38.779 38.779 38.688 0.091 19045 2157 1 3 . 1 1 143 143 TYR H H 143 7.750 7.750 8.082 -0.332 19045 2158 1 3 . 1 1 144 144 GLN N N 144 118.560 118.560 116.977 1.583 19045 2159 1 3 . 1 1 144 144 GLN HA H 144 3.686 3.686 4.041 -0.355 19045 2160 1 3 . 1 1 144 144 GLN CA C 144 58.055 58.055 57.772 0.283 19045 2161 1 3 . 1 1 144 144 GLN CB C 144 27.859 27.859 28.495 -0.636 19045 2162 1 3 . 1 1 144 144 GLN H H 144 8.486 8.486 8.109 0.377 19045 2163 1 3 . 1 1 145 145 HIS N N 145 114.312 114.312 117.335 -3.023 19045 2164 1 3 . 1 1 145 145 HIS HA H 145 4.330 4.330 4.325 0.005 19045 2165 1 3 . 1 1 145 145 HIS CA C 145 56.178 56.178 57.307 -1.129 19045 2166 1 3 . 1 1 145 145 HIS CB C 145 27.751 27.751 30.484 -2.733 19045 2167 1 3 . 1 1 145 145 HIS H H 145 7.350 7.350 7.552 -0.202 19045 2168 1 3 . 1 1 146 146 GLY N N 146 106.537 106.537 104.920 1.617 19045 2169 1 3 . 1 1 146 146 GLY CA C 146 45.715 45.715 44.601 1.114 19045 2170 1 3 . 1 1 146 146 GLY H H 146 7.471 7.471 7.297 0.174 19045 2171 1 3 . 1 1 147 147 LEU N N 147 123.302 123.302 122.366 0.936 19045 2172 1 3 . 1 1 147 147 LEU HA H 147 4.496 4.496 4.144 0.352 19045 2173 1 3 . 1 1 147 147 LEU CA C 147 54.259 54.259 55.756 -1.497 19045 2174 1 3 . 1 1 147 147 LEU CB C 147 41.033 41.033 42.556 -1.523 19045 2175 1 3 . 1 1 147 147 LEU H H 147 7.933 7.933 7.781 0.152 19045 2176 1 3 . 1 1 148 148 THR HA H 148 4.523 4.523 4.640 -0.117 19045 2177 1 3 . 1 1 148 148 THR CA C 148 61.027 61.027 61.166 -0.139 19045 2178 1 3 . 1 1 148 148 THR CB C 148 70.359 70.359 70.631 -0.272 19045 2179 1 3 . 1 1 149 149 GLY CA C 149 47.016 47.016 45.835 1.181 19045 2180 1 3 . 1 1 149 149 GLY H H 149 8.458 8.458 8.818 -0.360 19045 2181 1 3 . 1 1 150 150 PHE N N 150 123.408 123.408 119.348 4.060 19045 2182 1 3 . 1 1 150 150 PHE HA H 150 4.555 4.555 4.453 0.102 19045 2183 1 3 . 1 1 150 150 PHE CA C 150 57.964 57.964 57.977 -0.013 19045 2184 1 3 . 1 1 150 150 PHE CB C 150 42.911 42.911 39.970 2.941 19045 2185 1 3 . 1 1 150 150 PHE H H 150 9.331 9.331 8.352 0.979 19045 2186 1 3 . 1 1 151 151 LEU N N 151 123.032 123.032 119.665 3.367 19045 2187 1 3 . 1 1 151 151 LEU HA H 151 3.859 3.859 3.756 0.103 19045 2188 1 3 . 1 1 151 151 LEU CA C 151 58.454 58.454 58.120 0.334 19045 2189 1 3 . 1 1 151 151 LEU CB C 151 40.948 40.948 40.449 0.499 19045 2190 1 3 . 1 1 151 151 LEU H H 151 8.470 8.470 7.608 0.862 19045 2191 1 3 . 1 1 152 152 GLY N N 152 108.386 108.386 105.899 2.487 19045 2192 1 3 . 1 1 152 152 GLY CA C 152 46.676 46.676 46.992 -0.316 19045 2193 1 3 . 1 1 152 152 GLY H H 152 8.577 8.577 8.408 0.169 19045 2194 1 3 . 1 1 153 153 GLN N N 153 122.055 122.055 121.077 0.978 19045 2195 1 3 . 1 1 153 153 GLN HA H 153 3.532 3.532 3.567 -0.035 19045 2196 1 3 . 1 1 153 153 GLN CA C 153 57.844 57.844 57.763 0.081 19045 2197 1 3 . 1 1 153 153 GLN CB C 153 26.442 26.442 27.239 -0.797 19045 2198 1 3 . 1 1 153 153 GLN H H 153 7.106 7.106 8.109 -1.003 19045 2199 1 3 . 1 1 154 154 VAL N N 154 116.706 116.706 120.031 -3.325 19045 2200 1 3 . 1 1 154 154 VAL HA H 154 2.428 2.428 2.919 -0.491 19045 2201 1 3 . 1 1 154 154 VAL CA C 154 66.089 66.089 66.183 -0.094 19045 2202 1 3 . 1 1 154 154 VAL CB C 154 31.463 31.463 31.128 0.335 19045 2203 1 3 . 1 1 154 154 VAL H H 154 7.033 7.033 7.474 -0.441 19045 2204 1 3 . 1 1 155 155 THR N N 155 114.165 114.165 115.967 -1.802 19045 2205 1 3 . 1 1 155 155 THR HA H 155 3.317 3.317 3.377 -0.059 19045 2206 1 3 . 1 1 155 155 THR CA C 155 67.050 67.050 66.129 0.921 19045 2207 1 3 . 1 1 155 155 THR CB C 155 68.307 68.307 68.069 0.238 19045 2208 1 3 . 1 1 155 155 THR H H 155 7.860 7.860 7.698 0.162 19045 2209 1 3 . 1 1 156 156 ARG N N 156 119.890 119.890 120.432 -0.542 19045 2210 1 3 . 1 1 156 156 ARG HA H 156 3.769 3.769 4.001 -0.232 19045 2211 1 3 . 1 1 156 156 ARG CA C 156 58.769 58.769 58.697 0.072 19045 2212 1 3 . 1 1 156 156 ARG CB C 156 28.693 28.693 29.563 -0.870 19045 2213 1 3 . 1 1 156 156 ARG H H 156 7.019 7.019 8.048 -1.029 19045 2214 1 3 . 1 1 157 157 PHE N N 157 118.242 118.242 119.439 -1.197 19045 2215 1 3 . 1 1 157 157 PHE HA H 157 4.426 4.426 4.253 0.173 19045 2216 1 3 . 1 1 157 157 PHE CA C 157 56.928 56.928 59.643 -2.715 19045 2217 1 3 . 1 1 157 157 PHE CB C 157 35.794 35.794 37.622 -1.828 19045 2218 1 3 . 1 1 157 157 PHE H H 157 8.030 8.030 7.750 0.280 19045 2219 1 3 . 1 1 158 158 VAL N N 158 118.961 118.961 118.921 0.040 19045 2220 1 3 . 1 1 158 158 VAL HA H 158 3.425 3.425 3.957 -0.532 19045 2221 1 3 . 1 1 158 158 VAL CA C 158 67.288 67.288 66.972 0.317 19045 2222 1 3 . 1 1 158 158 VAL CB C 158 31.554 31.554 30.674 0.880 19045 2223 1 3 . 1 1 158 158 VAL H H 158 7.607 7.607 8.042 -0.435 19045 2224 1 3 . 1 1 159 159 VAL N N 159 119.773 119.773 120.254 -0.481 19045 2225 1 3 . 1 1 159 159 VAL HA H 159 3.358 3.358 3.577 -0.219 19045 2226 1 3 . 1 1 159 159 VAL CA C 159 67.570 67.570 66.933 0.637 19045 2227 1 3 . 1 1 159 159 VAL CB C 159 32.355 32.355 31.164 1.191 19045 2228 1 3 . 1 1 159 159 VAL H H 159 8.039 8.039 7.988 0.051 19045 2229 1 3 . 1 1 160 160 ASP N N 160 118.382 118.382 121.174 -2.792 19045 2230 1 3 . 1 1 160 160 ASP HA H 160 4.293 4.293 4.354 -0.061 19045 2231 1 3 . 1 1 160 160 ASP CA C 160 57.567 57.567 58.114 -0.546 19045 2232 1 3 . 1 1 160 160 ASP CB C 160 41.474 41.474 40.913 0.561 19045 2233 1 3 . 1 1 160 160 ASP H H 160 8.752 8.752 8.211 0.541 19045 2234 1 3 . 1 1 161 161 PHE N N 161 119.972 119.972 121.486 -1.514 19045 2235 1 3 . 1 1 161 161 PHE HA H 161 4.175 4.175 3.886 0.289 19045 2236 1 3 . 1 1 161 161 PHE CA C 161 62.688 62.688 61.416 1.272 19045 2237 1 3 . 1 1 161 161 PHE CB C 161 39.789 39.789 39.144 0.645 19045 2238 1 3 . 1 1 161 161 PHE H H 161 8.558 8.558 8.659 -0.101 19045 2239 1 3 . 1 1 162 162 MET N N 162 116.261 116.261 119.259 -2.998 19045 2240 1 3 . 1 1 162 162 MET HA H 162 3.702 3.702 3.875 -0.173 19045 2241 1 3 . 1 1 162 162 MET CA C 162 59.342 59.342 59.496 -0.154 19045 2242 1 3 . 1 1 162 162 MET CB C 162 32.081 32.081 32.705 -0.624 19045 2243 1 3 . 1 1 162 162 MET H H 162 8.597 8.597 8.629 -0.032 19045 2244 1 3 . 1 1 163 163 LEU N N 163 119.069 119.069 117.532 1.537 19045 2245 1 3 . 1 1 163 163 LEU HA H 163 3.952 3.952 4.029 -0.077 19045 2246 1 3 . 1 1 163 163 LEU CA C 163 57.856 57.856 57.640 0.216 19045 2247 1 3 . 1 1 163 163 LEU CB C 163 42.236 42.236 41.034 1.202 19045 2248 1 3 . 1 1 163 163 LEU H H 163 8.291 8.291 7.969 0.322 19045 2249 1 3 . 1 1 164 164 HIS N N 164 113.591 113.591 114.773 -1.182 19045 2250 1 3 . 1 1 164 164 HIS HA H 164 4.430 4.430 4.327 0.103 19045 2251 1 3 . 1 1 164 164 HIS CA C 164 57.289 57.289 57.969 -0.680 19045 2252 1 3 . 1 1 164 164 HIS CB C 164 28.766 28.766 29.962 -1.196 19045 2253 1 3 . 1 1 164 164 HIS H H 164 8.111 8.111 7.735 0.376 19045 2254 1 3 . 1 1 165 165 HIS N N 165 115.730 115.730 117.534 -1.804 19045 2255 1 3 . 1 1 165 165 HIS HA H 165 4.602 4.602 4.254 0.348 19045 2256 1 3 . 1 1 165 165 HIS CA C 165 54.752 54.752 56.987 -2.235 19045 2257 1 3 . 1 1 165 165 HIS CB C 165 26.766 26.766 30.340 -3.574 19045 2258 1 3 . 1 1 165 165 HIS H H 165 7.789 7.789 8.120 -0.331 19045 2259 1 3 . 1 1 166 166 CYS N N 166 109.533 109.533 119.877 -10.344 19045 2260 1 3 . 1 1 166 166 CYS HA H 166 4.274 4.274 4.462 -0.188 19045 2261 1 3 . 1 1 166 166 CYS CA C 166 61.452 61.452 59.473 1.979 19045 2262 1 3 . 1 1 166 166 CYS CB C 166 25.215 25.215 25.935 -0.720 19045 2263 1 3 . 1 1 166 166 CYS H H 166 7.761 7.761 8.633 -0.872 19045 2264 1 3 . 1 1 167 167 ILE N N 167 119.980 119.980 122.851 -2.871 19045 2265 1 3 . 1 1 167 167 ILE HA H 167 3.563 3.563 3.736 -0.173 19045 2266 1 3 . 1 1 167 167 ILE CA C 167 62.212 62.212 63.141 -0.929 19045 2267 1 3 . 1 1 167 167 ILE CB C 167 35.969 35.969 36.903 -0.934 19045 2268 1 3 . 1 1 167 167 ILE H H 167 7.574 7.574 7.531 0.043 19045 2269 1 3 . 1 1 168 168 ALA N N 168 121.737 121.737 122.745 -1.008 19045 2270 1 3 . 1 1 168 168 ALA HA H 168 3.775 3.775 3.951 -0.176 19045 2271 1 3 . 1 1 168 168 ALA CA C 168 55.082 55.082 55.616 -0.534 19045 2272 1 3 . 1 1 168 168 ALA CB C 168 16.505 16.505 18.137 -1.632 19045 2273 1 3 . 1 1 168 168 ALA H H 168 7.935 7.935 7.609 0.326 19045 2274 1 3 . 1 1 169 169 ARG N N 169 118.369 118.369 118.459 -0.090 19045 2275 1 3 . 1 1 169 169 ARG HA H 169 3.550 3.550 3.979 -0.429 19045 2276 1 3 . 1 1 169 169 ARG CA C 169 59.581 59.581 59.459 0.122 19045 2277 1 3 . 1 1 169 169 ARG CB C 169 29.380 29.380 29.668 -0.288 19045 2278 1 3 . 1 1 169 169 ARG H H 169 7.936 7.936 8.535 -0.599 19045 2279 1 3 . 1 1 170 170 TRP N N 170 121.173 121.173 120.926 0.247 19045 2280 1 3 . 1 1 170 170 TRP HA H 170 3.763 3.763 4.190 -0.427 19045 2281 1 3 . 1 1 170 170 TRP CA C 170 62.080 62.080 60.883 1.197 19045 2282 1 3 . 1 1 170 170 TRP CB C 170 29.423 29.423 29.252 0.171 19045 2283 1 3 . 1 1 170 170 TRP H H 170 7.259 7.259 7.385 -0.126 19045 2284 1 3 . 1 1 171 171 ILE N N 171 117.994 117.994 118.596 -0.602 19045 2285 1 3 . 1 1 171 171 ILE HA H 171 2.864 2.864 3.009 -0.145 19045 2286 1 3 . 1 1 171 171 ILE CA C 171 65.347 65.347 64.820 0.527 19045 2287 1 3 . 1 1 171 171 ILE CB C 171 37.781 37.781 37.484 0.296 19045 2288 1 3 . 1 1 171 171 ILE H H 171 8.074 8.074 8.270 -0.196 19045 2289 1 3 . 1 1 172 172 ALA N N 172 123.588 123.588 120.929 2.659 19045 2290 1 3 . 1 1 172 172 ALA HA H 172 3.506 3.506 3.888 -0.382 19045 2291 1 3 . 1 1 172 172 ALA CA C 172 55.685 55.685 54.926 0.759 19045 2292 1 3 . 1 1 172 172 ALA CB C 172 17.050 17.050 18.325 -1.275 19045 2293 1 3 . 1 1 172 172 ALA H H 172 8.511 8.511 7.878 0.633 19045 2294 1 3 . 1 1 173 173 GLN N N 173 117.382 117.382 115.832 1.550 19045 2295 1 3 . 1 1 173 173 GLN HA H 173 3.854 3.854 3.968 -0.114 19045 2296 1 3 . 1 1 173 173 GLN CA C 173 57.904 57.904 57.533 0.371 19045 2297 1 3 . 1 1 173 173 GLN CB C 173 28.141 28.141 28.733 -0.592 19045 2298 1 3 . 1 1 173 173 GLN H H 173 7.898 7.898 7.567 0.331 19045 2299 1 3 . 1 1 174 174 ARG N N 174 116.800 116.800 116.140 0.660 19045 2300 1 3 . 1 1 174 174 ARG HA H 174 4.097 4.097 4.058 0.039 19045 2301 1 3 . 1 1 174 174 ARG CA C 174 55.395 55.395 55.634 -0.239 19045 2302 1 3 . 1 1 174 174 ARG CB C 174 29.652 29.652 30.033 -0.381 19045 2303 1 3 . 1 1 174 174 ARG H H 174 6.984 6.984 7.430 -0.446 19045 2304 1 3 . 1 1 175 175 GLY N N 175 104.194 104.194 105.681 -1.487 19045 2305 1 3 . 1 1 175 175 GLY CA C 175 44.340 44.340 44.623 -0.283 19045 2306 1 3 . 1 1 175 175 GLY H H 175 7.418 7.418 7.132 0.286 19045 2307 1 3 . 1 1 176 176 GLY N N 176 107.629 107.629 107.520 0.109 19045 2308 1 3 . 1 1 176 176 GLY CA C 176 43.501 43.501 44.759 -1.258 19045 2309 1 3 . 1 1 176 176 GLY H H 176 8.072 8.072 7.580 0.492 19045 2310 1 3 . 1 1 177 177 TRP N N 177 117.887 117.887 121.155 -3.268 19045 2311 1 3 . 1 1 177 177 TRP HA H 177 4.476 4.476 4.722 -0.246 19045 2312 1 3 . 1 1 177 177 TRP CA C 177 61.083 61.083 59.983 1.100 19045 2313 1 3 . 1 1 177 177 TRP CB C 177 30.927 30.927 29.480 1.447 19045 2314 1 3 . 1 1 177 177 TRP H H 177 8.218 8.218 8.853 -0.635 19045 2315 1 3 . 1 1 178 178 VAL N N 178 112.929 112.929 116.914 -3.985 19045 2316 1 3 . 1 1 178 178 VAL HA H 178 3.688 3.688 3.956 -0.268 19045 2317 1 3 . 1 1 178 178 VAL CA C 178 64.680 64.680 63.692 0.988 19045 2318 1 3 . 1 1 178 178 VAL CB C 178 31.057 31.057 30.623 0.434 19045 2319 1 3 . 1 1 178 178 VAL H H 178 8.284 8.284 7.845 0.439 19045 2320 1 3 . 1 1 179 179 ALA N N 179 125.101 125.101 120.588 4.513 19045 2321 1 3 . 1 1 179 179 ALA HA H 179 4.009 4.009 4.562 -0.553 19045 2322 1 3 . 1 1 179 179 ALA CA C 179 54.344 54.344 52.832 1.512 19045 2323 1 3 . 1 1 179 179 ALA CB C 179 18.555 18.555 19.811 -1.256 19045 2324 1 3 . 1 1 179 179 ALA H H 179 7.670 7.670 7.831 -0.161 19045 2325 1 3 . 1 1 180 180 ALA N N 180 119.081 119.081 122.255 -3.174 19045 2326 1 3 . 1 1 180 180 ALA HA H 180 3.293 3.293 3.621 -0.328 19045 2327 1 3 . 1 1 180 180 ALA CA C 180 52.783 52.783 53.749 -0.966 19045 2328 1 3 . 1 1 180 180 ALA CB C 180 18.113 18.113 18.128 -0.015 19045 2329 1 3 . 1 1 180 180 ALA H H 180 8.058 8.058 7.395 0.663 19045 2330 1 3 . 1 1 181 181 LEU N N 181 114.169 114.169 114.954 -0.785 19045 2331 1 3 . 1 1 181 181 LEU HA H 181 3.911 3.911 4.060 -0.149 19045 2332 1 3 . 1 1 181 181 LEU CA C 181 56.128 56.128 56.802 -0.674 19045 2333 1 3 . 1 1 181 181 LEU CB C 181 40.955 40.955 41.437 -0.482 19045 2334 1 3 . 1 1 181 181 LEU H H 181 7.342 7.342 8.026 -0.684 19045 2335 1 3 . 1 1 182 182 ASN N N 182 115.061 115.061 116.049 -0.988 19045 2336 1 3 . 1 1 182 182 ASN HA H 182 4.743 4.743 4.712 0.031 19045 2337 1 3 . 1 1 182 182 ASN CA C 182 52.508 52.508 52.989 -0.481 19045 2338 1 3 . 1 1 182 182 ASN CB C 182 39.091 39.091 38.161 0.930 19045 2339 1 3 . 1 1 182 182 ASN H H 182 7.289 7.289 7.530 -0.241 19045 2340 1 3 . 1 1 183 183 LEU N N 183 119.889 119.889 119.463 0.426 19045 2341 1 3 . 1 1 183 183 LEU HA H 183 4.125 4.125 4.510 -0.385 19045 2342 1 3 . 1 1 183 183 LEU CA C 183 55.201 55.201 54.263 0.938 19045 2343 1 3 . 1 1 183 183 LEU CB C 183 42.174 42.174 43.414 -1.240 19045 2344 1 3 . 1 1 183 183 LEU H H 183 7.148 7.148 7.494 -0.346 19045 2345 1 3 . 1 1 184 184 GLY N N 184 107.883 107.883 111.670 -3.787 19045 2346 1 3 . 1 1 184 184 GLY CA C 184 45.256 45.256 46.764 -1.508 19045 2347 1 3 . 1 1 184 184 GLY H H 184 8.486 8.486 8.486 0.000 19045 2348 1 3 . 1 1 185 185 ASN N N 185 118.093 118.093 123.588 -5.495 19045 2349 1 3 . 1 1 185 185 ASN HA H 185 4.755 4.755 4.939 -0.184 19045 2350 1 3 . 1 1 185 185 ASN CA C 185 52.812 52.812 51.941 0.871 19045 2351 1 3 . 1 1 185 185 ASN CB C 185 39.297 39.297 39.105 0.192 19045 2352 1 3 . 1 1 185 185 ASN H H 185 8.074 8.074 8.442 -0.368 19045 2353 1 4 . 1 1 19 19 LEU N N 19 122.834 122.834 123.027 -0.193 19045 2354 1 4 . 1 1 19 19 LEU HA H 19 4.523 4.523 4.816 -0.293 19045 2355 1 4 . 1 1 19 19 LEU CA C 19 52.690 52.690 53.639 -0.949 19045 2356 1 4 . 1 1 19 19 LEU CB C 19 41.808 41.808 41.104 0.704 19045 2357 1 4 . 1 1 19 19 LEU H H 19 8.080 8.080 7.806 0.274 19045 2358 1 4 . 1 1 20 20 PRO HA H 20 4.353 4.353 4.494 -0.141 19045 2359 1 4 . 1 1 20 20 PRO CA C 20 62.826 62.826 62.441 0.385 19045 2360 1 4 . 1 1 20 20 PRO CB C 20 31.969 31.969 32.268 -0.299 19045 2361 1 4 . 1 1 21 21 SER N N 21 116.268 116.268 114.234 2.034 19045 2362 1 4 . 1 1 21 21 SER HA H 21 4.249 4.249 4.084 0.165 19045 2363 1 4 . 1 1 21 21 SER CA C 21 58.338 58.338 58.651 -0.313 19045 2364 1 4 . 1 1 21 21 SER CB C 21 63.856 63.856 63.464 0.392 19045 2365 1 4 . 1 1 21 21 SER H H 21 8.246 8.246 8.350 -0.104 19045 2366 1 4 . 1 1 22 22 ALA N N 22 125.246 125.246 124.520 0.726 19045 2367 1 4 . 1 1 22 22 ALA HA H 22 4.405 4.405 4.550 -0.145 19045 2368 1 4 . 1 1 22 22 ALA CA C 22 52.086 52.086 51.539 0.547 19045 2369 1 4 . 1 1 22 22 ALA CB C 22 19.582 19.582 21.194 -1.612 19045 2370 1 4 . 1 1 22 22 ALA H H 22 8.192 8.192 8.381 -0.189 19045 2371 1 4 . 1 1 23 23 SER N N 23 114.236 114.236 114.522 -0.286 19045 2372 1 4 . 1 1 23 23 SER HA H 23 4.469 4.469 4.802 -0.333 19045 2373 1 4 . 1 1 23 23 SER CA C 23 57.386 57.386 56.693 0.693 19045 2374 1 4 . 1 1 23 23 SER CB C 23 64.582 64.582 65.735 -1.153 19045 2375 1 4 . 1 1 23 23 SER H H 23 8.081 8.081 8.380 -0.299 19045 2376 1 4 . 1 1 24 24 GLU N N 24 124.005 124.005 124.249 -0.244 19045 2377 1 4 . 1 1 24 24 GLU HA H 24 3.534 3.534 3.865 -0.331 19045 2378 1 4 . 1 1 24 24 GLU CA C 24 59.772 59.772 60.886 -1.114 19045 2379 1 4 . 1 1 24 24 GLU CB C 24 29.798 29.798 29.521 0.277 19045 2380 1 4 . 1 1 24 24 GLU H H 24 8.702 8.702 8.978 -0.276 19045 2381 1 4 . 1 1 25 25 GLU N N 25 118.390 118.390 117.253 1.137 19045 2382 1 4 . 1 1 25 25 GLU HA H 25 3.796 3.796 3.965 -0.169 19045 2383 1 4 . 1 1 25 25 GLU CA C 25 59.939 59.939 59.287 0.652 19045 2384 1 4 . 1 1 25 25 GLU CB C 25 29.217 29.217 28.492 0.724 19045 2385 1 4 . 1 1 25 25 GLU H H 25 8.559 8.559 8.802 -0.243 19045 2386 1 4 . 1 1 26 26 GLN N N 26 120.776 120.776 120.257 0.519 19045 2387 1 4 . 1 1 26 26 GLN HA H 26 3.916 3.916 4.435 -0.519 19045 2388 1 4 . 1 1 26 26 GLN CA C 26 58.343 58.343 58.157 0.186 19045 2389 1 4 . 1 1 26 26 GLN CB C 26 28.119 28.119 28.806 -0.687 19045 2390 1 4 . 1 1 26 26 GLN H H 26 7.764 7.764 7.573 0.191 19045 2391 1 4 . 1 1 27 27 VAL N N 27 118.723 118.723 121.677 -2.954 19045 2392 1 4 . 1 1 27 27 VAL HA H 27 3.933 3.933 3.858 0.075 19045 2393 1 4 . 1 1 27 27 VAL CA C 27 66.285 66.285 65.665 0.620 19045 2394 1 4 . 1 1 27 27 VAL CB C 27 31.596 31.596 30.948 0.648 19045 2395 1 4 . 1 1 27 27 VAL H H 27 8.062 8.062 8.277 -0.215 19045 2396 1 4 . 1 1 28 28 ALA N N 28 122.902 122.902 122.707 0.195 19045 2397 1 4 . 1 1 28 28 ALA HA H 28 4.026 4.026 3.915 0.111 19045 2398 1 4 . 1 1 28 28 ALA CA C 28 56.178 56.178 55.784 0.394 19045 2399 1 4 . 1 1 28 28 ALA CB C 28 18.463 18.463 18.191 0.272 19045 2400 1 4 . 1 1 28 28 ALA H H 28 8.412 8.412 8.208 0.204 19045 2401 1 4 . 1 1 29 29 GLN N N 29 117.996 117.996 117.228 0.768 19045 2402 1 4 . 1 1 29 29 GLN HA H 29 4.084 4.084 3.914 0.170 19045 2403 1 4 . 1 1 29 29 GLN CA C 29 59.063 59.063 58.692 0.371 19045 2404 1 4 . 1 1 29 29 GLN CB C 29 28.452 28.452 28.273 0.179 19045 2405 1 4 . 1 1 29 29 GLN H H 29 7.900 7.900 7.732 0.168 19045 2406 1 4 . 1 1 30 30 ASP N N 30 121.907 121.907 120.551 1.356 19045 2407 1 4 . 1 1 30 30 ASP HA H 30 4.521 4.521 4.378 0.143 19045 2408 1 4 . 1 1 30 30 ASP CA C 30 57.038 57.038 56.976 0.062 19045 2409 1 4 . 1 1 30 30 ASP CB C 30 41.939 41.939 40.240 1.698 19045 2410 1 4 . 1 1 30 30 ASP H H 30 8.888 8.888 8.211 0.677 19045 2411 1 4 . 1 1 31 31 THR N N 31 114.861 114.861 116.513 -1.652 19045 2412 1 4 . 1 1 31 31 THR HA H 31 3.493 3.493 3.188 0.305 19045 2413 1 4 . 1 1 31 31 THR CA C 31 66.946 66.946 66.534 0.412 19045 2414 1 4 . 1 1 31 31 THR CB C 31 68.523 68.523 68.797 -0.274 19045 2415 1 4 . 1 1 31 31 THR H H 31 8.069 8.069 8.051 0.018 19045 2416 1 4 . 1 1 32 32 GLU N N 32 120.848 120.848 121.063 -0.215 19045 2417 1 4 . 1 1 32 32 GLU HA H 32 3.597 3.597 3.771 -0.174 19045 2418 1 4 . 1 1 32 32 GLU CA C 32 60.899 60.899 59.497 1.402 19045 2419 1 4 . 1 1 32 32 GLU CB C 32 28.963 28.963 28.610 0.353 19045 2420 1 4 . 1 1 32 32 GLU H H 32 7.578 7.578 7.959 -0.381 19045 2421 1 4 . 1 1 33 33 GLU N N 33 117.741 117.741 119.909 -2.168 19045 2422 1 4 . 1 1 33 33 GLU HA H 33 3.938 3.938 3.956 -0.018 19045 2423 1 4 . 1 1 33 33 GLU CA C 33 58.768 58.768 59.409 -0.641 19045 2424 1 4 . 1 1 33 33 GLU CB C 33 29.708 29.708 29.676 0.032 19045 2425 1 4 . 1 1 33 33 GLU H H 33 7.446 7.446 7.791 -0.345 19045 2426 1 4 . 1 1 34 34 VAL N N 34 120.239 120.239 119.616 0.623 19045 2427 1 4 . 1 1 34 34 VAL HA H 34 3.108 3.108 3.663 -0.555 19045 2428 1 4 . 1 1 34 34 VAL CA C 34 66.979 66.979 65.121 1.858 19045 2429 1 4 . 1 1 34 34 VAL CB C 34 31.884 31.884 30.745 1.139 19045 2430 1 4 . 1 1 34 34 VAL H H 34 7.792 7.792 7.683 0.109 19045 2431 1 4 . 1 1 35 35 PHE N N 35 117.559 117.559 121.066 -3.507 19045 2432 1 4 . 1 1 35 35 PHE HA H 35 4.209 4.209 4.079 0.130 19045 2433 1 4 . 1 1 35 35 PHE CA C 35 61.592 61.592 62.090 -0.498 19045 2434 1 4 . 1 1 35 35 PHE CB C 35 39.066 39.066 38.994 0.072 19045 2435 1 4 . 1 1 35 35 PHE H H 35 8.895 8.895 8.348 0.547 19045 2436 1 4 . 1 1 36 36 ARG N N 36 116.705 116.705 118.713 -2.008 19045 2437 1 4 . 1 1 36 36 ARG HA H 36 3.555 3.555 4.061 -0.506 19045 2438 1 4 . 1 1 36 36 ARG CA C 36 59.906 59.906 60.282 -0.376 19045 2439 1 4 . 1 1 36 36 ARG CB C 36 29.654 29.654 30.089 -0.435 19045 2440 1 4 . 1 1 36 36 ARG H H 36 8.182 8.182 8.270 -0.088 19045 2441 1 4 . 1 1 37 37 SER N N 37 112.628 112.628 115.176 -2.548 19045 2442 1 4 . 1 1 37 37 SER HA H 37 4.122 4.122 4.348 -0.226 19045 2443 1 4 . 1 1 37 37 SER CA C 37 61.258 61.258 61.772 -0.514 19045 2444 1 4 . 1 1 37 37 SER CB C 37 63.089 63.089 62.986 0.103 19045 2445 1 4 . 1 1 37 37 SER H H 37 7.845 7.845 8.153 -0.308 19045 2446 1 4 . 1 1 38 38 TYR N N 38 122.458 122.458 124.062 -1.604 19045 2447 1 4 . 1 1 38 38 TYR HA H 38 3.927 3.927 4.155 -0.228 19045 2448 1 4 . 1 1 38 38 TYR CA C 38 62.006 62.006 62.010 -0.004 19045 2449 1 4 . 1 1 38 38 TYR CB C 38 38.892 38.892 38.410 0.482 19045 2450 1 4 . 1 1 38 38 TYR H H 38 8.793 8.793 8.128 0.665 19045 2451 1 4 . 1 1 39 39 VAL N N 39 115.951 115.951 117.022 -1.071 19045 2452 1 4 . 1 1 39 39 VAL HA H 39 3.209 3.209 3.244 -0.035 19045 2453 1 4 . 1 1 39 39 VAL CA C 39 65.982 65.982 65.563 0.419 19045 2454 1 4 . 1 1 39 39 VAL CB C 39 30.884 30.884 30.790 0.094 19045 2455 1 4 . 1 1 39 39 VAL H H 39 8.348 8.348 8.228 0.120 19045 2456 1 4 . 1 1 40 40 PHE N N 40 119.608 119.608 121.473 -1.865 19045 2457 1 4 . 1 1 40 40 PHE HA H 40 3.915 3.915 4.109 -0.194 19045 2458 1 4 . 1 1 40 40 PHE CA C 40 61.651 61.651 60.775 0.876 19045 2459 1 4 . 1 1 40 40 PHE CB C 40 39.411 39.411 39.157 0.254 19045 2460 1 4 . 1 1 40 40 PHE H H 40 7.596 7.596 8.061 -0.465 19045 2461 1 4 . 1 1 41 41 TYR N N 41 117.686 117.686 119.473 -1.787 19045 2462 1 4 . 1 1 41 41 TYR HA H 41 3.818 3.818 3.767 0.051 19045 2463 1 4 . 1 1 41 41 TYR CA C 41 63.446 63.446 60.675 2.772 19045 2464 1 4 . 1 1 41 41 TYR CB C 41 37.528 37.528 37.875 -0.347 19045 2465 1 4 . 1 1 41 41 TYR H H 41 8.578 8.578 8.196 0.382 19045 2466 1 4 . 1 1 42 42 ARG N N 42 121.382 121.382 119.169 2.213 19045 2467 1 4 . 1 1 42 42 ARG HA H 42 3.581 3.581 3.723 -0.142 19045 2468 1 4 . 1 1 42 42 ARG CA C 42 57.999 57.999 59.755 -1.756 19045 2469 1 4 . 1 1 42 42 ARG CB C 42 26.992 26.992 30.056 -3.064 19045 2470 1 4 . 1 1 42 42 ARG H H 42 8.784 8.784 8.032 0.752 19045 2471 1 4 . 1 1 43 43 HIS N N 43 118.684 118.684 117.412 1.272 19045 2472 1 4 . 1 1 43 43 HIS HA H 43 4.291 4.291 4.298 -0.007 19045 2473 1 4 . 1 1 43 43 HIS CA C 43 60.041 60.041 59.053 0.988 19045 2474 1 4 . 1 1 43 43 HIS CB C 43 27.938 27.938 29.427 -1.489 19045 2475 1 4 . 1 1 43 43 HIS H H 43 8.268 8.268 8.081 0.187 19045 2476 1 4 . 1 1 44 44 GLN N N 44 117.841 117.841 119.751 -1.910 19045 2477 1 4 . 1 1 44 44 GLN HA H 44 3.638 3.638 3.848 -0.210 19045 2478 1 4 . 1 1 44 44 GLN CA C 44 58.681 58.681 58.952 -0.271 19045 2479 1 4 . 1 1 44 44 GLN CB C 44 28.977 28.977 28.164 0.813 19045 2480 1 4 . 1 1 44 44 GLN H H 44 7.722 7.722 7.868 -0.146 19045 2481 1 4 . 1 1 45 45 GLN N N 45 117.756 117.756 118.242 -0.486 19045 2482 1 4 . 1 1 45 45 GLN HA H 45 3.932 3.932 4.005 -0.073 19045 2483 1 4 . 1 1 45 45 GLN CA C 45 57.923 57.923 58.250 -0.327 19045 2484 1 4 . 1 1 45 45 GLN CB C 45 28.039 28.039 28.474 -0.435 19045 2485 1 4 . 1 1 45 45 GLN H H 45 7.808 7.808 7.803 0.005 19045 2486 1 4 . 1 1 46 46 GLU N N 46 119.876 119.876 118.709 1.167 19045 2487 1 4 . 1 1 46 46 GLU HA H 46 3.951 3.951 3.927 0.024 19045 2488 1 4 . 1 1 46 46 GLU CA C 46 58.956 58.956 59.601 -0.645 19045 2489 1 4 . 1 1 46 46 GLU CB C 46 29.166 29.166 29.115 0.051 19045 2490 1 4 . 1 1 46 46 GLU H H 46 7.781 7.781 7.768 0.013 19045 2491 1 4 . 1 1 47 47 GLN N N 47 118.282 118.282 116.791 1.491 19045 2492 1 4 . 1 1 47 47 GLN HA H 47 3.800 3.800 4.110 -0.310 19045 2493 1 4 . 1 1 47 47 GLN CA C 47 57.892 57.892 57.797 0.095 19045 2494 1 4 . 1 1 47 47 GLN CB C 47 28.662 28.662 28.689 -0.027 19045 2495 1 4 . 1 1 47 47 GLN H H 47 7.775 7.775 7.501 0.274 19045 2496 1 4 . 1 1 48 48 GLU N N 48 118.519 118.519 117.967 0.552 19045 2497 1 4 . 1 1 48 48 GLU HA H 48 4.009 4.009 4.135 -0.126 19045 2498 1 4 . 1 1 48 48 GLU CA C 48 57.586 57.586 58.054 -0.468 19045 2499 1 4 . 1 1 48 48 GLU CB C 48 28.922 28.922 29.917 -0.995 19045 2500 1 4 . 1 1 48 48 GLU H H 48 7.721 7.721 7.722 -0.001 19045 2501 1 4 . 1 1 49 49 ALA N N 49 121.657 121.657 122.111 -0.454 19045 2502 1 4 . 1 1 49 49 ALA HA H 49 4.140 4.140 4.114 0.026 19045 2503 1 4 . 1 1 49 49 ALA CA C 49 53.389 53.389 54.034 -0.645 19045 2504 1 4 . 1 1 49 49 ALA CB C 49 19.111 19.111 19.152 -0.041 19045 2505 1 4 . 1 1 49 49 ALA H H 49 7.675 7.675 7.627 0.048 19045 2506 1 4 . 1 1 50 50 GLU N N 50 116.803 116.803 115.151 1.652 19045 2507 1 4 . 1 1 50 50 GLU HA H 50 4.182 4.182 4.500 -0.318 19045 2508 1 4 . 1 1 50 50 GLU CA C 50 56.420 56.420 55.083 1.337 19045 2509 1 4 . 1 1 50 50 GLU CB C 50 29.798 29.798 32.175 -2.377 19045 2510 1 4 . 1 1 50 50 GLU H H 50 8.106 8.106 7.882 0.224 19045 2511 1 4 . 1 1 51 51 GLY N N 51 109.812 109.812 106.637 3.175 19045 2512 1 4 . 1 1 51 51 GLY CA C 51 45.739 45.739 45.322 0.416 19045 2513 1 4 . 1 1 51 51 GLY H H 51 8.060 8.060 8.473 -0.413 19045 2514 1 4 . 1 1 52 52 VAL N N 52 118.668 118.668 118.155 0.513 19045 2515 1 4 . 1 1 52 52 VAL HA H 52 4.001 4.001 4.452 -0.451 19045 2516 1 4 . 1 1 52 52 VAL CA C 52 62.175 62.175 61.017 1.158 19045 2517 1 4 . 1 1 52 52 VAL CB C 52 32.294 32.294 33.010 -0.716 19045 2518 1 4 . 1 1 52 52 VAL H H 52 7.718 7.718 7.551 0.167 19045 2519 1 4 . 1 1 53 53 ALA N N 53 125.624 125.624 125.578 0.046 19045 2520 1 4 . 1 1 53 53 ALA HA H 53 4.220 4.220 4.062 0.158 19045 2521 1 4 . 1 1 53 53 ALA CA C 53 51.869 51.869 52.578 -0.709 19045 2522 1 4 . 1 1 53 53 ALA CB C 53 19.065 19.065 17.556 1.509 19045 2523 1 4 . 1 1 53 53 ALA H H 53 8.073 8.073 8.571 -0.498 19045 2524 1 4 . 1 1 54 54 ALA N N 54 123.638 123.638 122.250 1.388 19045 2525 1 4 . 1 1 54 54 ALA HA H 54 4.472 4.472 4.579 -0.107 19045 2526 1 4 . 1 1 54 54 ALA CA C 54 49.869 49.869 50.121 -0.252 19045 2527 1 4 . 1 1 54 54 ALA CB C 54 18.488 18.488 19.681 -1.193 19045 2528 1 4 . 1 1 54 54 ALA H H 54 7.718 7.718 7.895 -0.177 19045 2529 1 4 . 1 1 55 55 PRO HA H 55 4.292 4.292 4.517 -0.225 19045 2530 1 4 . 1 1 55 55 PRO CA C 55 62.966 62.966 62.885 0.081 19045 2531 1 4 . 1 1 55 55 PRO CB C 55 31.754 31.754 32.483 -0.729 19045 2532 1 4 . 1 1 56 56 ALA N N 56 124.218 124.218 125.212 -0.994 19045 2533 1 4 . 1 1 56 56 ALA HA H 56 4.220 4.220 4.511 -0.291 19045 2534 1 4 . 1 1 56 56 ALA CB C 56 19.119 19.119 17.918 1.201 19045 2535 1 4 . 1 1 56 56 ALA H H 56 8.259 8.259 8.559 -0.300 19045 2536 1 4 . 1 1 57 57 ASP N N 57 120.884 120.884 121.959 -1.075 19045 2537 1 4 . 1 1 57 57 ASP HA H 57 4.572 4.572 4.693 -0.121 19045 2538 1 4 . 1 1 57 57 ASP CA C 57 52.742 52.742 53.431 -0.689 19045 2539 1 4 . 1 1 57 57 ASP CB C 57 41.642 41.642 40.671 0.971 19045 2540 1 4 . 1 1 57 57 ASP H H 57 7.829 7.829 7.751 0.078 19045 2541 1 4 . 1 1 58 58 PRO HA H 58 4.052 4.052 4.399 -0.347 19045 2542 1 4 . 1 1 58 58 PRO CA C 58 64.128 64.128 64.113 0.015 19045 2543 1 4 . 1 1 58 58 PRO CB C 58 31.989 31.989 32.445 -0.456 19045 2544 1 4 . 1 1 59 59 GLU HA H 59 4.549 4.549 4.414 0.135 19045 2545 1 4 . 1 1 59 59 GLU CA C 59 54.266 54.266 56.491 -2.225 19045 2546 1 4 . 1 1 59 59 GLU CB C 59 29.285 29.285 30.000 -0.715 19045 2547 1 4 . 1 1 60 60 MET HA H 60 3.846 3.846 4.459 -0.613 19045 2548 1 4 . 1 1 60 60 MET CA C 60 57.219 57.219 57.681 -0.462 19045 2549 1 4 . 1 1 60 60 MET CB C 60 31.894 31.894 32.865 -0.971 19045 2550 1 4 . 1 1 60 60 MET H H 60 7.070 7.070 8.243 -1.173 19045 2551 1 4 . 1 1 61 61 VAL N N 61 113.014 113.014 116.905 -3.891 19045 2552 1 4 . 1 1 61 61 VAL HA H 61 4.051 4.051 4.128 -0.077 19045 2553 1 4 . 1 1 61 61 VAL CA C 61 62.799 62.799 62.821 -0.022 19045 2554 1 4 . 1 1 61 61 VAL CB C 61 31.993 31.993 32.048 -0.055 19045 2555 1 4 . 1 1 61 61 VAL H H 61 6.833 6.833 7.940 -1.107 19045 2556 1 4 . 1 1 62 62 THR N N 62 110.188 110.188 111.615 -1.427 19045 2557 1 4 . 1 1 62 62 THR HA H 62 4.230 4.230 3.894 0.336 19045 2558 1 4 . 1 1 62 62 THR CA C 62 60.947 60.947 62.276 -1.329 19045 2559 1 4 . 1 1 62 62 THR CB C 62 69.192 69.192 68.754 0.438 19045 2560 1 4 . 1 1 62 62 THR H H 62 7.101 7.101 7.583 -0.482 19045 2561 1 4 . 1 1 63 63 LEU N N 63 125.158 125.158 121.711 3.447 19045 2562 1 4 . 1 1 63 63 LEU HA H 63 4.205 4.205 4.692 -0.487 19045 2563 1 4 . 1 1 63 63 LEU CA C 63 52.688 52.688 51.465 1.223 19045 2564 1 4 . 1 1 63 63 LEU CB C 63 42.252 42.252 44.609 -2.357 19045 2565 1 4 . 1 1 63 63 LEU H H 63 7.079 7.079 7.850 -0.771 19045 2566 1 4 . 1 1 64 64 PRO HA H 64 4.282 4.282 4.411 -0.129 19045 2567 1 4 . 1 1 64 64 PRO CA C 64 62.613 62.613 62.698 -0.085 19045 2568 1 4 . 1 1 64 64 PRO CB C 64 30.705 30.705 30.475 0.230 19045 2569 1 4 . 1 1 65 65 LEU N N 65 122.384 122.384 123.106 -0.722 19045 2570 1 4 . 1 1 65 65 LEU HA H 65 4.234 4.234 4.414 -0.180 19045 2571 1 4 . 1 1 65 65 LEU CA C 65 54.499 54.499 55.565 -1.066 19045 2572 1 4 . 1 1 65 65 LEU CB C 65 43.438 43.438 43.240 0.197 19045 2573 1 4 . 1 1 65 65 LEU H H 65 7.653 7.653 7.709 -0.056 19045 2574 1 4 . 1 1 66 66 GLN N N 66 121.802 121.802 124.689 -2.887 19045 2575 1 4 . 1 1 66 66 GLN HA H 66 4.209 4.209 4.749 -0.540 19045 2576 1 4 . 1 1 66 66 GLN CA C 66 52.783 52.783 53.170 -0.387 19045 2577 1 4 . 1 1 66 66 GLN CB C 66 28.136 28.136 28.736 -0.600 19045 2578 1 4 . 1 1 66 66 GLN H H 66 8.634 8.634 8.614 0.020 19045 2579 1 4 . 1 1 67 67 PRO HA H 67 4.139 4.139 4.483 -0.344 19045 2580 1 4 . 1 1 67 67 PRO CA C 67 64.488 64.488 63.732 0.756 19045 2581 1 4 . 1 1 67 67 PRO CB C 67 32.003 32.003 31.774 0.229 19045 2582 1 4 . 1 1 68 68 SER N N 68 111.024 111.024 113.096 -2.072 19045 2583 1 4 . 1 1 68 68 SER HA H 68 4.313 4.313 4.378 -0.065 19045 2584 1 4 . 1 1 68 68 SER CA C 68 57.991 57.991 59.104 -1.113 19045 2585 1 4 . 1 1 68 68 SER CB C 68 63.252 63.252 63.375 -0.123 19045 2586 1 4 . 1 1 68 68 SER H H 68 8.119 8.119 8.440 -0.321 19045 2587 1 4 . 1 1 69 69 SER N N 69 117.598 117.598 116.441 1.157 19045 2588 1 4 . 1 1 69 69 SER HA H 69 4.440 4.440 4.704 -0.264 19045 2589 1 4 . 1 1 69 69 SER CA C 69 57.518 57.518 57.161 0.357 19045 2590 1 4 . 1 1 69 69 SER CB C 69 64.587 64.587 65.041 -0.454 19045 2591 1 4 . 1 1 69 69 SER H H 69 7.723 7.723 7.496 0.227 19045 2592 1 4 . 1 1 70 70 THR N N 70 121.887 121.887 118.682 3.205 19045 2593 1 4 . 1 1 70 70 THR HA H 70 3.873 3.873 4.168 -0.295 19045 2594 1 4 . 1 1 70 70 THR CA C 70 66.723 66.723 65.572 1.151 19045 2595 1 4 . 1 1 70 70 THR CB C 70 68.385 68.385 68.737 -0.352 19045 2596 1 4 . 1 1 70 70 THR H H 70 8.827 8.827 8.612 0.215 19045 2597 1 4 . 1 1 71 71 MET N N 71 117.344 117.344 120.171 -2.827 19045 2598 1 4 . 1 1 71 71 MET HA H 71 4.469 4.469 4.104 0.365 19045 2599 1 4 . 1 1 71 71 MET CA C 71 56.260 56.260 59.903 -3.643 19045 2600 1 4 . 1 1 71 71 MET CB C 71 31.696 31.696 32.089 -0.393 19045 2601 1 4 . 1 1 71 71 MET H H 71 8.454 8.454 8.221 0.233 19045 2602 1 4 . 1 1 72 72 GLY N N 72 108.884 108.884 102.549 6.335 19045 2603 1 4 . 1 1 72 72 GLY CA C 72 46.884 46.884 46.113 0.771 19045 2604 1 4 . 1 1 72 72 GLY H H 72 7.979 7.979 7.868 0.111 19045 2605 1 4 . 1 1 73 73 GLN N N 73 121.522 121.522 120.744 0.778 19045 2606 1 4 . 1 1 73 73 GLN HA H 73 3.857 3.857 4.227 -0.370 19045 2607 1 4 . 1 1 73 73 GLN CA C 73 58.220 58.220 57.477 0.743 19045 2608 1 4 . 1 1 73 73 GLN CB C 73 28.309 28.309 28.677 -0.368 19045 2609 1 4 . 1 1 73 73 GLN H H 73 7.859 7.859 7.701 0.158 19045 2610 1 4 . 1 1 74 74 VAL N N 74 121.291 121.291 120.960 0.331 19045 2611 1 4 . 1 1 74 74 VAL HA H 74 3.359 3.359 3.604 -0.245 19045 2612 1 4 . 1 1 74 74 VAL CA C 74 67.150 67.150 66.971 0.179 19045 2613 1 4 . 1 1 74 74 VAL CB C 74 31.249 31.249 31.688 -0.439 19045 2614 1 4 . 1 1 74 74 VAL H H 74 8.155 8.155 7.731 0.424 19045 2615 1 4 . 1 1 75 75 GLY N N 75 105.037 105.037 105.563 -0.526 19045 2616 1 4 . 1 1 75 75 GLY CA C 75 48.385 48.385 47.204 1.181 19045 2617 1 4 . 1 1 75 75 GLY H H 75 8.154 8.154 7.906 0.248 19045 2618 1 4 . 1 1 76 76 ARG N N 76 119.292 119.292 120.403 -1.111 19045 2619 1 4 . 1 1 76 76 ARG HA H 76 3.320 3.320 4.105 -0.785 19045 2620 1 4 . 1 1 76 76 ARG CA C 76 59.540 59.540 59.842 -0.302 19045 2621 1 4 . 1 1 76 76 ARG CB C 76 30.130 30.130 30.224 -0.094 19045 2622 1 4 . 1 1 76 76 ARG H H 76 7.512 7.512 7.818 -0.306 19045 2623 1 4 . 1 1 77 77 GLN N N 77 118.008 118.008 118.989 -0.981 19045 2624 1 4 . 1 1 77 77 GLN HA H 77 3.951 3.951 4.156 -0.205 19045 2625 1 4 . 1 1 77 77 GLN CA C 77 58.337 58.337 58.384 -0.047 19045 2626 1 4 . 1 1 77 77 GLN CB C 77 27.512 27.512 27.642 -0.130 19045 2627 1 4 . 1 1 77 77 GLN H H 77 7.852 7.852 7.727 0.125 19045 2628 1 4 . 1 1 78 78 LEU N N 78 116.018 116.018 119.648 -3.630 19045 2629 1 4 . 1 1 78 78 LEU HA H 78 4.078 4.078 3.948 0.130 19045 2630 1 4 . 1 1 78 78 LEU CA C 78 57.391 57.391 58.040 -0.649 19045 2631 1 4 . 1 1 78 78 LEU CB C 78 40.999 40.999 41.433 -0.434 19045 2632 1 4 . 1 1 78 78 LEU H H 78 8.412 8.412 8.323 0.089 19045 2633 1 4 . 1 1 79 79 ALA N N 79 120.914 120.914 120.834 0.080 19045 2634 1 4 . 1 1 79 79 ALA HA H 79 3.896 3.896 4.142 -0.246 19045 2635 1 4 . 1 1 79 79 ALA CA C 79 54.789 54.789 54.965 -0.176 19045 2636 1 4 . 1 1 79 79 ALA CB C 79 17.880 17.880 18.163 -0.283 19045 2637 1 4 . 1 1 79 79 ALA H H 79 7.789 7.789 8.089 -0.300 19045 2638 1 4 . 1 1 80 80 ILE N N 80 117.984 117.984 117.808 0.176 19045 2639 1 4 . 1 1 80 80 ILE HA H 80 3.895 3.895 3.827 0.068 19045 2640 1 4 . 1 1 80 80 ILE CA C 80 63.576 63.576 64.654 -1.078 19045 2641 1 4 . 1 1 80 80 ILE CB C 80 38.607 38.607 38.507 0.100 19045 2642 1 4 . 1 1 80 80 ILE H H 80 7.690 7.690 7.579 0.111 19045 2643 1 4 . 1 1 81 81 ILE HA H 81 3.984 3.984 3.924 0.060 19045 2644 1 4 . 1 1 81 81 ILE CA C 81 63.608 63.608 64.252 -0.644 19045 2645 1 4 . 1 1 81 81 ILE CB C 81 37.587 37.587 37.270 0.317 19045 2646 1 4 . 1 1 81 81 ILE H H 81 7.910 7.910 8.332 -0.422 19045 2647 1 4 . 1 1 82 82 GLY CA C 82 45.566 45.566 44.486 1.080 19045 2648 1 4 . 1 1 82 82 GLY H H 82 7.765 7.765 8.236 -0.471 19045 2649 1 4 . 1 1 83 83 ASP N N 83 119.914 119.914 122.850 -2.936 19045 2650 1 4 . 1 1 83 83 ASP HA H 83 4.332 4.332 4.376 -0.044 19045 2651 1 4 . 1 1 83 83 ASP CA C 83 58.161 58.161 57.755 0.406 19045 2652 1 4 . 1 1 83 83 ASP CB C 83 41.771 41.771 41.336 0.435 19045 2653 1 4 . 1 1 83 83 ASP H H 83 7.400 7.400 7.840 -0.440 19045 2654 1 4 . 1 1 84 84 ASP N N 84 116.566 116.566 119.709 -3.143 19045 2655 1 4 . 1 1 84 84 ASP HA H 84 4.200 4.200 4.438 -0.238 19045 2656 1 4 . 1 1 84 84 ASP CA C 84 57.270 57.270 57.300 -0.030 19045 2657 1 4 . 1 1 84 84 ASP CB C 84 40.593 40.593 40.504 0.089 19045 2658 1 4 . 1 1 84 84 ASP H H 84 8.523 8.523 8.335 0.188 19045 2659 1 4 . 1 1 85 85 ILE N N 85 120.454 120.454 118.654 1.800 19045 2660 1 4 . 1 1 85 85 ILE HA H 85 3.753 3.753 3.802 -0.049 19045 2661 1 4 . 1 1 85 85 ILE CA C 85 63.782 63.782 64.634 -0.852 19045 2662 1 4 . 1 1 85 85 ILE CB C 85 37.546 37.546 37.262 0.284 19045 2663 1 4 . 1 1 85 85 ILE H H 85 7.707 7.707 8.082 -0.375 19045 2664 1 4 . 1 1 86 86 ASN N N 86 118.583 118.583 119.112 -0.529 19045 2665 1 4 . 1 1 86 86 ASN HA H 86 4.472 4.472 4.500 -0.028 19045 2666 1 4 . 1 1 86 86 ASN CA C 86 56.087 56.087 56.513 -0.425 19045 2667 1 4 . 1 1 86 86 ASN CB C 86 37.614 37.614 38.727 -1.113 19045 2668 1 4 . 1 1 86 86 ASN H H 86 8.440 8.440 8.086 0.354 19045 2669 1 4 . 1 1 87 87 ARG N N 87 117.819 117.819 117.588 0.231 19045 2670 1 4 . 1 1 87 87 ARG HA H 87 4.043 4.043 4.008 0.035 19045 2671 1 4 . 1 1 87 87 ARG CA C 87 59.035 59.035 58.719 0.315 19045 2672 1 4 . 1 1 87 87 ARG CB C 87 29.845 29.845 29.910 -0.065 19045 2673 1 4 . 1 1 87 87 ARG H H 87 8.214 8.214 7.862 0.352 19045 2674 1 4 . 1 1 88 88 ARG N N 88 117.971 117.971 120.193 -2.222 19045 2675 1 4 . 1 1 88 88 ARG HA H 88 3.965 3.965 4.039 -0.074 19045 2676 1 4 . 1 1 88 88 ARG CA C 88 58.161 58.161 59.218 -1.057 19045 2677 1 4 . 1 1 88 88 ARG CB C 88 30.376 30.376 30.640 -0.264 19045 2678 1 4 . 1 1 88 88 ARG H H 88 7.438 7.438 8.207 -0.769 19045 2679 1 4 . 1 1 89 89 TYR N N 89 114.591 114.591 112.972 1.619 19045 2680 1 4 . 1 1 89 89 TYR HA H 89 4.753 4.753 4.742 0.011 19045 2681 1 4 . 1 1 89 89 TYR CA C 89 59.481 59.481 57.044 2.437 19045 2682 1 4 . 1 1 89 89 TYR CB C 89 39.610 39.610 37.369 2.241 19045 2683 1 4 . 1 1 89 89 TYR H H 89 7.635 7.635 8.211 -0.576 19045 2684 1 4 . 1 1 90 90 ASP HA H 90 4.820 4.820 4.658 0.162 19045 2685 1 4 . 1 1 90 90 ASP CA C 90 58.200 58.200 56.943 1.257 19045 2686 1 4 . 1 1 90 90 ASP CB C 90 41.407 41.407 41.034 0.373 19045 2687 1 4 . 1 1 90 90 ASP H H 90 8.282 8.282 7.587 0.695 19045 2688 1 4 . 1 1 91 91 SER N N 91 115.266 115.266 115.238 0.028 19045 2689 1 4 . 1 1 91 91 SER HA H 91 4.170 4.170 4.309 -0.139 19045 2690 1 4 . 1 1 91 91 SER CA C 91 61.780 61.780 61.807 -0.027 19045 2691 1 4 . 1 1 91 91 SER CB C 91 61.891 61.891 63.216 -1.325 19045 2692 1 4 . 1 1 91 91 SER H H 91 8.717 8.717 8.038 0.679 19045 2693 1 4 . 1 1 92 92 GLU N N 92 122.093 122.093 120.367 1.726 19045 2694 1 4 . 1 1 92 92 GLU HA H 92 4.056 4.056 4.146 -0.090 19045 2695 1 4 . 1 1 92 92 GLU CA C 92 58.928 58.928 58.785 0.143 19045 2696 1 4 . 1 1 92 92 GLU CB C 92 29.796 29.796 29.698 0.098 19045 2697 1 4 . 1 1 92 92 GLU H H 92 8.025 8.025 8.470 -0.445 19045 2698 1 4 . 1 1 93 93 PHE HA H 93 4.171 4.171 4.519 -0.348 19045 2699 1 4 . 1 1 93 93 PHE CA C 93 60.704 60.704 58.851 1.853 19045 2700 1 4 . 1 1 93 93 PHE CB C 93 38.780 38.780 39.968 -1.188 19045 2701 1 4 . 1 1 93 93 PHE H H 93 7.801 7.801 7.633 0.168 19045 2702 1 4 . 1 1 94 94 GLN N N 94 118.578 118.578 119.462 -0.884 19045 2703 1 4 . 1 1 94 94 GLN HA H 94 3.847 3.847 3.855 -0.008 19045 2704 1 4 . 1 1 94 94 GLN CA C 94 59.981 59.981 58.763 1.218 19045 2705 1 4 . 1 1 94 94 GLN CB C 94 28.415 28.415 27.591 0.824 19045 2706 1 4 . 1 1 94 94 GLN H H 94 8.609 8.609 8.732 -0.123 19045 2707 1 4 . 1 1 95 95 THR N N 95 116.128 116.128 116.982 -0.854 19045 2708 1 4 . 1 1 95 95 THR HA H 95 3.811 3.811 3.875 -0.064 19045 2709 1 4 . 1 1 95 95 THR CA C 95 66.391 66.391 66.710 -0.319 19045 2710 1 4 . 1 1 95 95 THR CB C 95 68.361 68.361 68.528 -0.167 19045 2711 1 4 . 1 1 95 95 THR H H 95 7.826 7.826 7.658 0.168 19045 2712 1 4 . 1 1 96 96 MET N N 96 120.474 120.474 117.608 2.866 19045 2713 1 4 . 1 1 96 96 MET HA H 96 3.933 3.933 3.696 0.237 19045 2714 1 4 . 1 1 96 96 MET CA C 96 59.949 59.949 57.499 2.450 19045 2715 1 4 . 1 1 96 96 MET CB C 96 33.087 33.087 31.942 1.145 19045 2716 1 4 . 1 1 96 96 MET H H 96 7.728 7.728 7.401 0.327 19045 2717 1 4 . 1 1 97 97 LEU N N 97 118.904 118.904 121.544 -2.640 19045 2718 1 4 . 1 1 97 97 LEU HA H 97 3.604 3.604 3.718 -0.114 19045 2719 1 4 . 1 1 97 97 LEU CA C 97 57.771 57.771 57.523 0.248 19045 2720 1 4 . 1 1 97 97 LEU CB C 97 40.836 40.836 41.186 -0.350 19045 2721 1 4 . 1 1 97 97 LEU H H 97 8.112 8.112 7.528 0.584 19045 2722 1 4 . 1 1 98 98 GLN N N 98 116.798 116.798 116.730 0.068 19045 2723 1 4 . 1 1 98 98 GLN HA H 98 4.003 4.003 4.193 -0.190 19045 2724 1 4 . 1 1 98 98 GLN CA C 98 58.337 58.337 57.759 0.578 19045 2725 1 4 . 1 1 98 98 GLN CB C 98 27.659 27.659 28.516 -0.857 19045 2726 1 4 . 1 1 98 98 GLN H H 98 7.754 7.754 7.962 -0.208 19045 2727 1 4 . 1 1 99 99 HIS N N 99 115.943 115.943 116.091 -0.148 19045 2728 1 4 . 1 1 99 99 HIS HA H 99 4.442 4.442 4.394 0.048 19045 2729 1 4 . 1 1 99 99 HIS CA C 99 57.025 57.025 56.936 0.089 19045 2730 1 4 . 1 1 99 99 HIS CB C 99 28.848 28.848 29.911 -1.063 19045 2731 1 4 . 1 1 99 99 HIS H H 99 7.504 7.504 7.682 -0.178 19045 2732 1 4 . 1 1 100 100 LEU N N 100 121.347 121.347 120.221 1.126 19045 2733 1 4 . 1 1 100 100 LEU HA H 100 3.803 3.803 4.066 -0.263 19045 2734 1 4 . 1 1 100 100 LEU CA C 100 56.801 56.801 56.067 0.734 19045 2735 1 4 . 1 1 100 100 LEU CB C 100 42.563 42.563 42.894 -0.331 19045 2736 1 4 . 1 1 100 100 LEU H H 100 8.013 8.013 7.413 0.600 19045 2737 1 4 . 1 1 101 101 GLN N N 101 110.029 110.029 114.914 -4.885 19045 2738 1 4 . 1 1 101 101 GLN HA H 101 4.003 4.003 4.133 -0.130 19045 2739 1 4 . 1 1 101 101 GLN CA C 101 55.685 55.685 55.422 0.263 19045 2740 1 4 . 1 1 101 101 GLN CB C 101 27.301 27.301 26.278 1.023 19045 2741 1 4 . 1 1 101 101 GLN H H 101 7.763 7.763 8.083 -0.320 19045 2742 1 4 . 1 1 102 102 PRO HA H 102 4.926 4.926 4.399 0.527 19045 2743 1 4 . 1 1 102 102 PRO CA C 102 62.372 62.372 63.002 -0.630 19045 2744 1 4 . 1 1 102 102 PRO CB C 102 31.963 31.963 32.438 -0.475 19045 2745 1 4 . 1 1 103 103 THR N N 103 114.119 114.119 106.982 7.137 19045 2746 1 4 . 1 1 103 103 THR HA H 103 4.420 4.420 4.507 -0.087 19045 2747 1 4 . 1 1 103 103 THR CA C 103 58.716 58.716 58.916 -0.200 19045 2748 1 4 . 1 1 103 103 THR CB C 103 72.929 72.929 72.307 0.622 19045 2749 1 4 . 1 1 103 103 THR H H 103 9.386 9.386 7.993 1.393 19045 2750 1 4 . 1 1 104 104 ALA N N 104 120.374 120.374 121.689 -1.315 19045 2751 1 4 . 1 1 104 104 ALA HA H 104 3.737 3.737 3.992 -0.255 19045 2752 1 4 . 1 1 104 104 ALA CA C 104 54.782 54.782 54.068 0.714 19045 2753 1 4 . 1 1 104 104 ALA CB C 104 18.050 18.050 18.228 -0.178 19045 2754 1 4 . 1 1 104 104 ALA H H 104 8.723 8.723 8.450 0.273 19045 2755 1 4 . 1 1 105 105 GLU N N 105 113.834 113.834 115.680 -1.846 19045 2756 1 4 . 1 1 105 105 GLU HA H 105 4.122 4.122 4.317 -0.195 19045 2757 1 4 . 1 1 105 105 GLU CA C 105 58.707 58.707 58.513 0.194 19045 2758 1 4 . 1 1 105 105 GLU CB C 105 29.445 29.445 29.450 -0.005 19045 2759 1 4 . 1 1 105 105 GLU H H 105 7.969 7.969 8.380 -0.411 19045 2760 1 4 . 1 1 106 106 ASN N N 106 114.135 114.135 117.917 -3.782 19045 2761 1 4 . 1 1 106 106 ASN HA H 106 4.781 4.781 4.288 0.492 19045 2762 1 4 . 1 1 106 106 ASN CA C 106 52.222 52.222 52.887 -0.665 19045 2763 1 4 . 1 1 106 106 ASN CB C 106 38.983 38.983 38.141 0.842 19045 2764 1 4 . 1 1 106 106 ASN H H 106 7.151 7.151 7.890 -0.739 19045 2765 1 4 . 1 1 107 107 ALA N N 107 121.280 121.280 123.671 -2.391 19045 2766 1 4 . 1 1 107 107 ALA HA H 107 3.858 3.858 4.110 -0.252 19045 2767 1 4 . 1 1 107 107 ALA CA C 107 56.988 56.988 55.784 1.204 19045 2768 1 4 . 1 1 107 107 ALA CB C 107 18.278 18.278 18.921 -0.643 19045 2769 1 4 . 1 1 107 107 ALA H H 107 7.940 7.940 7.374 0.566 19045 2770 1 4 . 1 1 108 108 TYR N N 108 117.339 117.339 115.030 2.309 19045 2771 1 4 . 1 1 108 108 TYR HA H 108 3.048 3.048 4.052 -1.004 19045 2772 1 4 . 1 1 108 108 TYR CA C 108 60.578 60.578 59.359 1.219 19045 2773 1 4 . 1 1 108 108 TYR CB C 108 36.804 36.804 36.435 0.369 19045 2774 1 4 . 1 1 108 108 TYR H H 108 8.783 8.783 7.895 0.888 19045 2775 1 4 . 1 1 109 109 GLU N N 109 123.316 123.316 120.495 2.821 19045 2776 1 4 . 1 1 109 109 GLU HA H 109 3.681 3.681 3.687 -0.006 19045 2777 1 4 . 1 1 109 109 GLU CA C 109 59.152 59.152 58.820 0.332 19045 2778 1 4 . 1 1 109 109 GLU CB C 109 28.782 28.782 28.943 -0.161 19045 2779 1 4 . 1 1 109 109 GLU H H 109 8.084 8.084 7.266 0.818 19045 2780 1 4 . 1 1 110 110 TYR N N 110 117.254 117.254 117.004 0.250 19045 2781 1 4 . 1 1 110 110 TYR HA H 110 4.339 4.339 4.269 0.070 19045 2782 1 4 . 1 1 110 110 TYR CA C 110 58.527 58.527 59.772 -1.245 19045 2783 1 4 . 1 1 110 110 TYR CB C 110 36.323 36.323 38.270 -1.947 19045 2784 1 4 . 1 1 110 110 TYR H H 110 8.282 8.282 7.700 0.582 19045 2785 1 4 . 1 1 111 111 PHE N N 111 119.028 119.028 120.787 -1.759 19045 2786 1 4 . 1 1 111 111 PHE HA H 111 3.889 3.889 4.198 -0.309 19045 2787 1 4 . 1 1 111 111 PHE CA C 111 62.350 62.350 61.664 0.686 19045 2788 1 4 . 1 1 111 111 PHE CB C 111 39.369 39.369 39.264 0.105 19045 2789 1 4 . 1 1 111 111 PHE H H 111 9.197 9.197 8.729 0.468 19045 2790 1 4 . 1 1 112 112 THR N N 112 113.669 113.669 112.001 1.668 19045 2791 1 4 . 1 1 112 112 THR HA H 112 3.411 3.411 3.248 0.163 19045 2792 1 4 . 1 1 112 112 THR CA C 112 67.185 67.185 66.075 1.110 19045 2793 1 4 . 1 1 112 112 THR CB C 112 68.294 68.294 68.353 -0.059 19045 2794 1 4 . 1 1 112 112 THR H H 112 8.315 8.315 8.501 -0.186 19045 2795 1 4 . 1 1 113 113 LYS N N 113 124.090 124.090 122.114 1.976 19045 2796 1 4 . 1 1 113 113 LYS HA H 113 3.854 3.854 4.056 -0.202 19045 2797 1 4 . 1 1 113 113 LYS CA C 113 60.416 60.416 58.883 1.534 19045 2798 1 4 . 1 1 113 113 LYS CB C 113 33.219 33.219 32.100 1.119 19045 2799 1 4 . 1 1 113 113 LYS H H 113 8.335 8.335 7.423 0.912 19045 2800 1 4 . 1 1 114 114 ILE N N 114 120.457 120.457 119.834 0.623 19045 2801 1 4 . 1 1 114 114 ILE HA H 114 3.145 3.145 3.771 -0.626 19045 2802 1 4 . 1 1 114 114 ILE CA C 114 65.550 65.550 63.076 2.474 19045 2803 1 4 . 1 1 114 114 ILE CB C 114 37.402 37.402 36.094 1.308 19045 2804 1 4 . 1 1 114 114 ILE H H 114 8.042 8.042 7.821 0.221 19045 2805 1 4 . 1 1 115 115 ALA N N 115 121.066 121.066 122.483 -1.417 19045 2806 1 4 . 1 1 115 115 ALA HA H 115 3.219 3.219 3.869 -0.650 19045 2807 1 4 . 1 1 115 115 ALA CA C 115 54.940 54.940 55.488 -0.548 19045 2808 1 4 . 1 1 115 115 ALA CB C 115 16.345 16.345 17.709 -1.364 19045 2809 1 4 . 1 1 115 115 ALA H H 115 8.208 8.208 8.042 0.166 19045 2810 1 4 . 1 1 116 116 THR N N 116 112.803 112.803 114.394 -1.591 19045 2811 1 4 . 1 1 116 116 THR HA H 116 3.808 3.808 4.128 -0.320 19045 2812 1 4 . 1 1 116 116 THR CA C 116 67.557 67.557 66.427 1.130 19045 2813 1 4 . 1 1 116 116 THR CB C 116 68.431 68.431 68.567 -0.136 19045 2814 1 4 . 1 1 116 116 THR H H 116 7.893 7.893 7.764 0.129 19045 2815 1 4 . 1 1 117 117 SER N N 117 115.935 115.935 115.022 0.913 19045 2816 1 4 . 1 1 117 117 SER HA H 117 4.070 4.070 4.486 -0.416 19045 2817 1 4 . 1 1 117 117 SER CA C 117 61.879 61.879 60.829 1.050 19045 2818 1 4 . 1 1 117 117 SER CB C 117 62.907 62.907 63.514 -0.607 19045 2819 1 4 . 1 1 117 117 SER H H 117 7.139 7.139 7.756 -0.617 19045 2820 1 4 . 1 1 118 118 LEU N N 118 123.462 123.462 122.719 0.743 19045 2821 1 4 . 1 1 118 118 LEU HA H 118 3.596 3.596 3.841 -0.245 19045 2822 1 4 . 1 1 118 118 LEU CA C 118 58.014 58.014 57.380 0.634 19045 2823 1 4 . 1 1 118 118 LEU CB C 118 41.687 41.687 42.128 -0.441 19045 2824 1 4 . 1 1 118 118 LEU H H 118 7.844 7.844 7.534 0.310 19045 2825 1 4 . 1 1 119 119 PHE N N 119 110.270 110.270 112.525 -2.255 19045 2826 1 4 . 1 1 119 119 PHE HA H 119 4.721 4.721 4.750 -0.029 19045 2827 1 4 . 1 1 119 119 PHE CA C 119 58.698 58.698 57.296 1.402 19045 2828 1 4 . 1 1 119 119 PHE CB C 119 38.838 38.838 38.248 0.590 19045 2829 1 4 . 1 1 119 119 PHE H H 119 6.878 6.878 7.989 -1.111 19045 2830 1 4 . 1 1 120 120 GLU N N 120 123.135 123.135 119.317 3.818 19045 2831 1 4 . 1 1 120 120 GLU HA H 120 4.016 4.016 4.124 -0.108 19045 2832 1 4 . 1 1 120 120 GLU CA C 120 59.532 59.532 58.261 1.271 19045 2833 1 4 . 1 1 120 120 GLU CB C 120 29.337 29.337 29.611 -0.275 19045 2834 1 4 . 1 1 120 120 GLU H H 120 7.551 7.551 7.610 -0.059 19045 2835 1 4 . 1 1 121 121 SER N N 121 107.983 107.983 113.132 -5.149 19045 2836 1 4 . 1 1 121 121 SER HA H 121 4.522 4.522 4.572 -0.050 19045 2837 1 4 . 1 1 121 121 SER CA C 121 57.342 57.342 58.867 -1.525 19045 2838 1 4 . 1 1 121 121 SER CB C 121 63.353 63.353 65.084 -1.731 19045 2839 1 4 . 1 1 121 121 SER H H 121 7.712 7.712 7.992 -0.280 19045 2840 1 4 . 1 1 122 122 GLY N N 122 110.748 110.748 108.107 2.641 19045 2841 1 4 . 1 1 122 122 GLY CA C 122 44.419 44.419 45.025 -0.606 19045 2842 1 4 . 1 1 122 122 GLY H H 122 7.317 7.317 7.904 -0.587 19045 2843 1 4 . 1 1 123 123 ILE N N 123 117.061 117.061 119.120 -2.059 19045 2844 1 4 . 1 1 123 123 ILE HA H 123 3.724 3.724 4.345 -0.621 19045 2845 1 4 . 1 1 123 123 ILE CA C 123 61.383 61.383 60.264 1.119 19045 2846 1 4 . 1 1 123 123 ILE CB C 123 40.588 40.588 39.652 0.936 19045 2847 1 4 . 1 1 123 123 ILE H H 123 7.963 7.963 8.269 -0.306 19045 2848 1 4 . 1 1 124 124 ASN N N 124 117.915 117.915 122.561 -4.646 19045 2849 1 4 . 1 1 124 124 ASN HA H 124 4.204 4.204 4.925 -0.721 19045 2850 1 4 . 1 1 124 124 ASN CA C 124 51.886 51.886 52.335 -0.449 19045 2851 1 4 . 1 1 124 124 ASN CB C 124 39.033 39.033 41.660 -2.627 19045 2852 1 4 . 1 1 124 124 ASN H H 124 6.434 6.434 8.126 -1.692 19045 2853 1 4 . 1 1 125 125 TRP N N 125 119.673 119.673 123.583 -3.910 19045 2854 1 4 . 1 1 125 125 TRP HA H 125 4.470 4.470 4.533 -0.063 19045 2855 1 4 . 1 1 125 125 TRP CA C 125 61.257 61.257 61.148 0.109 19045 2856 1 4 . 1 1 125 125 TRP CB C 125 30.287 30.287 29.554 0.733 19045 2857 1 4 . 1 1 125 125 TRP H H 125 8.824 8.824 9.174 -0.350 19045 2858 1 4 . 1 1 126 126 GLY N N 126 107.516 107.516 106.051 1.465 19045 2859 1 4 . 1 1 126 126 GLY CA C 126 48.294 48.294 47.300 0.994 19045 2860 1 4 . 1 1 126 126 GLY H H 126 9.118 9.118 8.810 0.308 19045 2861 1 4 . 1 1 127 127 ARG N N 127 119.610 119.610 122.120 -2.510 19045 2862 1 4 . 1 1 127 127 ARG HA H 127 3.742 3.742 3.991 -0.249 19045 2863 1 4 . 1 1 127 127 ARG CA C 127 59.551 59.551 59.076 0.475 19045 2864 1 4 . 1 1 127 127 ARG CB C 127 31.163 31.163 29.867 1.296 19045 2865 1 4 . 1 1 127 127 ARG H H 127 8.616 8.616 7.355 1.261 19045 2866 1 4 . 1 1 128 128 VAL N N 128 120.289 120.289 119.337 0.952 19045 2867 1 4 . 1 1 128 128 VAL HA H 128 3.662 3.662 3.930 -0.268 19045 2868 1 4 . 1 1 128 128 VAL CA C 128 68.387 68.387 66.347 2.040 19045 2869 1 4 . 1 1 128 128 VAL CB C 128 31.127 31.127 31.182 -0.055 19045 2870 1 4 . 1 1 128 128 VAL H H 128 7.762 7.762 7.965 -0.203 19045 2871 1 4 . 1 1 129 129 VAL N N 129 119.577 119.577 120.290 -0.713 19045 2872 1 4 . 1 1 129 129 VAL HA H 129 3.449 3.449 3.685 -0.236 19045 2873 1 4 . 1 1 129 129 VAL CA C 129 67.772 67.772 65.227 2.545 19045 2874 1 4 . 1 1 129 129 VAL CB C 129 30.918 30.918 30.497 0.421 19045 2875 1 4 . 1 1 129 129 VAL H H 129 8.433 8.433 7.848 0.585 19045 2876 1 4 . 1 1 130 130 ALA N N 130 123.330 123.330 123.490 -0.160 19045 2877 1 4 . 1 1 130 130 ALA HA H 130 4.069 4.069 4.128 -0.059 19045 2878 1 4 . 1 1 130 130 ALA CA C 130 54.978 54.978 55.340 -0.362 19045 2879 1 4 . 1 1 130 130 ALA CB C 130 17.446 17.446 18.257 -0.811 19045 2880 1 4 . 1 1 130 130 ALA H H 130 8.766 8.766 8.004 0.762 19045 2881 1 4 . 1 1 131 131 LEU N N 131 120.040 120.040 119.487 0.553 19045 2882 1 4 . 1 1 131 131 LEU HA H 131 3.961 3.961 4.556 -0.595 19045 2883 1 4 . 1 1 131 131 LEU CA C 131 58.353 58.353 58.655 -0.302 19045 2884 1 4 . 1 1 131 131 LEU CB C 131 40.750 40.750 42.363 -1.613 19045 2885 1 4 . 1 1 131 131 LEU H H 131 8.178 8.178 8.375 -0.197 19045 2886 1 4 . 1 1 132 132 LEU N N 132 119.150 119.150 117.014 2.136 19045 2887 1 4 . 1 1 132 132 LEU HA H 132 3.952 3.952 4.246 -0.294 19045 2888 1 4 . 1 1 132 132 LEU CA C 132 58.620 58.620 57.367 1.253 19045 2889 1 4 . 1 1 132 132 LEU CB C 132 38.835 38.835 40.781 -1.946 19045 2890 1 4 . 1 1 132 132 LEU H H 132 7.927 7.927 7.562 0.365 19045 2891 1 4 . 1 1 133 133 GLY N N 133 107.066 107.066 108.293 -1.227 19045 2892 1 4 . 1 1 133 133 GLY CA C 133 48.339 48.339 47.729 0.610 19045 2893 1 4 . 1 1 133 133 GLY H H 133 8.752 8.752 8.430 0.322 19045 2894 1 4 . 1 1 134 134 PHE N N 134 123.521 123.521 121.516 2.005 19045 2895 1 4 . 1 1 134 134 PHE HA H 134 4.601 4.601 4.760 -0.159 19045 2896 1 4 . 1 1 134 134 PHE CA C 134 59.884 59.884 58.348 1.536 19045 2897 1 4 . 1 1 134 134 PHE CB C 134 38.622 38.622 38.785 -0.163 19045 2898 1 4 . 1 1 134 134 PHE H H 134 8.606 8.606 8.945 -0.339 19045 2899 1 4 . 1 1 135 135 GLY N N 135 106.412 106.412 109.563 -3.151 19045 2900 1 4 . 1 1 135 135 GLY CA C 135 47.731 47.731 46.986 0.745 19045 2901 1 4 . 1 1 135 135 GLY H H 135 8.715 8.715 7.806 0.909 19045 2902 1 4 . 1 1 136 136 TYR N N 136 121.461 121.461 124.168 -2.707 19045 2903 1 4 . 1 1 136 136 TYR HA H 136 4.116 4.116 4.212 -0.096 19045 2904 1 4 . 1 1 136 136 TYR CA C 136 61.564 61.564 61.969 -0.405 19045 2905 1 4 . 1 1 136 136 TYR CB C 136 38.469 38.469 38.758 -0.289 19045 2906 1 4 . 1 1 136 136 TYR H H 136 8.809 8.809 8.201 0.608 19045 2907 1 4 . 1 1 137 137 ARG N N 137 117.518 117.518 118.595 -1.077 19045 2908 1 4 . 1 1 137 137 ARG HA H 137 3.647 3.647 4.258 -0.611 19045 2909 1 4 . 1 1 137 137 ARG CA C 137 58.904 58.904 59.194 -0.290 19045 2910 1 4 . 1 1 137 137 ARG CB C 137 29.189 29.189 29.264 -0.075 19045 2911 1 4 . 1 1 137 137 ARG H H 137 8.646 8.646 7.995 0.651 19045 2912 1 4 . 1 1 138 138 LEU N N 138 121.658 121.658 121.146 0.512 19045 2913 1 4 . 1 1 138 138 LEU HA H 138 3.905 3.905 4.101 -0.196 19045 2914 1 4 . 1 1 138 138 LEU CA C 138 58.454 58.454 58.033 0.420 19045 2915 1 4 . 1 1 138 138 LEU CB C 138 41.801 41.801 41.809 -0.007 19045 2916 1 4 . 1 1 138 138 LEU H H 138 9.065 9.065 8.088 0.977 19045 2917 1 4 . 1 1 139 139 ALA N N 139 120.012 120.012 121.115 -1.103 19045 2918 1 4 . 1 1 139 139 ALA HA H 139 4.004 4.004 4.277 -0.273 19045 2919 1 4 . 1 1 139 139 ALA CA C 139 55.174 55.174 54.962 0.212 19045 2920 1 4 . 1 1 139 139 ALA CB C 139 17.943 17.943 18.582 -0.639 19045 2921 1 4 . 1 1 139 139 ALA H H 139 8.237 8.237 7.865 0.372 19045 2922 1 4 . 1 1 140 140 LEU N N 140 119.522 119.522 120.153 -0.631 19045 2923 1 4 . 1 1 140 140 LEU HA H 140 4.000 4.000 3.987 0.013 19045 2924 1 4 . 1 1 140 140 LEU CA C 140 57.805 57.805 57.773 0.032 19045 2925 1 4 . 1 1 140 140 LEU CB C 140 42.324 42.324 41.652 0.672 19045 2926 1 4 . 1 1 140 140 LEU H H 140 8.191 8.191 8.286 -0.095 19045 2927 1 4 . 1 1 141 141 HIS N N 141 117.834 117.834 117.083 0.751 19045 2928 1 4 . 1 1 141 141 HIS HA H 141 4.183 4.183 4.357 -0.174 19045 2929 1 4 . 1 1 141 141 HIS CA C 141 60.960 60.960 60.146 0.814 19045 2930 1 4 . 1 1 141 141 HIS CB C 141 31.708 31.708 30.216 1.492 19045 2931 1 4 . 1 1 141 141 HIS H H 141 8.253 8.253 8.424 -0.171 19045 2932 1 4 . 1 1 142 142 VAL N N 142 113.700 113.700 118.638 -4.938 19045 2933 1 4 . 1 1 142 142 VAL HA H 142 3.887 3.887 4.018 -0.131 19045 2934 1 4 . 1 1 142 142 VAL CA C 142 65.948 65.948 62.732 3.216 19045 2935 1 4 . 1 1 142 142 VAL CB C 142 30.264 30.264 31.998 -1.734 19045 2936 1 4 . 1 1 142 142 VAL H H 142 8.455 8.455 7.783 0.672 19045 2937 1 4 . 1 1 143 143 TYR N N 143 123.307 123.307 121.997 1.310 19045 2938 1 4 . 1 1 143 143 TYR HA H 143 4.320 4.320 4.033 0.287 19045 2939 1 4 . 1 1 143 143 TYR CA C 143 61.934 61.934 61.735 0.199 19045 2940 1 4 . 1 1 143 143 TYR CB C 143 38.779 38.779 38.446 0.333 19045 2941 1 4 . 1 1 143 143 TYR H H 143 7.750 7.750 8.313 -0.563 19045 2942 1 4 . 1 1 144 144 GLN N N 144 118.560 118.560 116.466 2.094 19045 2943 1 4 . 1 1 144 144 GLN HA H 144 3.686 3.686 3.975 -0.289 19045 2944 1 4 . 1 1 144 144 GLN CA C 144 58.055 58.055 58.323 -0.268 19045 2945 1 4 . 1 1 144 144 GLN CB C 144 27.859 27.859 28.320 -0.461 19045 2946 1 4 . 1 1 144 144 GLN H H 144 8.486 8.486 7.856 0.630 19045 2947 1 4 . 1 1 145 145 HIS N N 145 114.312 114.312 116.491 -2.179 19045 2948 1 4 . 1 1 145 145 HIS HA H 145 4.330 4.330 4.379 -0.049 19045 2949 1 4 . 1 1 145 145 HIS CA C 145 56.178 56.178 57.331 -1.153 19045 2950 1 4 . 1 1 145 145 HIS CB C 145 27.751 27.751 30.689 -2.938 19045 2951 1 4 . 1 1 145 145 HIS H H 145 7.350 7.350 7.588 -0.238 19045 2952 1 4 . 1 1 146 146 GLY N N 146 106.537 106.537 107.547 -1.010 19045 2953 1 4 . 1 1 146 146 GLY CA C 146 45.715 45.715 44.803 0.912 19045 2954 1 4 . 1 1 146 146 GLY H H 146 7.471 7.471 7.474 -0.003 19045 2955 1 4 . 1 1 147 147 LEU N N 147 123.302 123.302 123.373 -0.071 19045 2956 1 4 . 1 1 147 147 LEU HA H 147 4.496 4.496 4.587 -0.091 19045 2957 1 4 . 1 1 147 147 LEU CA C 147 54.259 54.259 54.203 0.056 19045 2958 1 4 . 1 1 147 147 LEU CB C 147 41.033 41.033 45.605 -4.572 19045 2959 1 4 . 1 1 147 147 LEU H H 147 7.933 7.933 7.348 0.585 19045 2960 1 4 . 1 1 148 148 THR HA H 148 4.523 4.523 4.569 -0.046 19045 2961 1 4 . 1 1 148 148 THR CA C 148 61.027 61.027 61.461 -0.434 19045 2962 1 4 . 1 1 148 148 THR CB C 148 70.359 70.359 68.044 2.315 19045 2963 1 4 . 1 1 149 149 GLY CA C 149 47.016 47.016 45.058 1.958 19045 2964 1 4 . 1 1 149 149 GLY H H 149 8.458 8.458 8.387 0.071 19045 2965 1 4 . 1 1 150 150 PHE N N 150 123.408 123.408 124.046 -0.638 19045 2966 1 4 . 1 1 150 150 PHE HA H 150 4.555 4.555 4.711 -0.156 19045 2967 1 4 . 1 1 150 150 PHE CA C 150 57.964 57.964 57.081 0.883 19045 2968 1 4 . 1 1 150 150 PHE CB C 150 42.911 42.911 39.735 3.176 19045 2969 1 4 . 1 1 150 150 PHE H H 150 9.331 9.331 8.354 0.977 19045 2970 1 4 . 1 1 151 151 LEU N N 151 123.032 123.032 121.419 1.613 19045 2971 1 4 . 1 1 151 151 LEU HA H 151 3.859 3.859 3.986 -0.127 19045 2972 1 4 . 1 1 151 151 LEU CA C 151 58.454 58.454 58.232 0.222 19045 2973 1 4 . 1 1 151 151 LEU CB C 151 40.948 40.948 40.370 0.578 19045 2974 1 4 . 1 1 151 151 LEU H H 151 8.470 8.470 7.919 0.551 19045 2975 1 4 . 1 1 152 152 GLY N N 152 108.386 108.386 105.957 2.429 19045 2976 1 4 . 1 1 152 152 GLY CA C 152 46.676 46.676 47.173 -0.497 19045 2977 1 4 . 1 1 152 152 GLY H H 152 8.577 8.577 8.454 0.123 19045 2978 1 4 . 1 1 153 153 GLN N N 153 122.055 122.055 120.815 1.240 19045 2979 1 4 . 1 1 153 153 GLN HA H 153 3.532 3.532 3.405 0.127 19045 2980 1 4 . 1 1 153 153 GLN CA C 153 57.844 57.844 57.510 0.334 19045 2981 1 4 . 1 1 153 153 GLN CB C 153 26.442 26.442 27.069 -0.627 19045 2982 1 4 . 1 1 153 153 GLN H H 153 7.106 7.106 7.953 -0.847 19045 2983 1 4 . 1 1 154 154 VAL N N 154 116.706 116.706 119.509 -2.803 19045 2984 1 4 . 1 1 154 154 VAL HA H 154 2.428 2.428 3.334 -0.906 19045 2985 1 4 . 1 1 154 154 VAL CA C 154 66.089 66.089 66.215 -0.126 19045 2986 1 4 . 1 1 154 154 VAL CB C 154 31.463 31.463 30.842 0.621 19045 2987 1 4 . 1 1 154 154 VAL H H 154 7.033 7.033 7.830 -0.797 19045 2988 1 4 . 1 1 155 155 THR N N 155 114.165 114.165 114.774 -0.609 19045 2989 1 4 . 1 1 155 155 THR HA H 155 3.317 3.317 3.218 0.099 19045 2990 1 4 . 1 1 155 155 THR CA C 155 67.050 67.050 66.123 0.927 19045 2991 1 4 . 1 1 155 155 THR CB C 155 68.307 68.307 67.681 0.626 19045 2992 1 4 . 1 1 155 155 THR H H 155 7.860 7.860 7.857 0.003 19045 2993 1 4 . 1 1 156 156 ARG N N 156 119.890 119.890 120.701 -0.811 19045 2994 1 4 . 1 1 156 156 ARG HA H 156 3.769 3.769 3.857 -0.088 19045 2995 1 4 . 1 1 156 156 ARG CA C 156 58.769 58.769 58.619 0.150 19045 2996 1 4 . 1 1 156 156 ARG CB C 156 28.693 28.693 29.325 -0.632 19045 2997 1 4 . 1 1 156 156 ARG H H 156 7.019 7.019 7.596 -0.577 19045 2998 1 4 . 1 1 157 157 PHE N N 157 118.242 118.242 118.562 -0.320 19045 2999 1 4 . 1 1 157 157 PHE HA H 157 4.426 4.426 4.344 0.082 19045 3000 1 4 . 1 1 157 157 PHE CA C 157 56.928 56.928 60.355 -3.427 19045 3001 1 4 . 1 1 157 157 PHE CB C 157 35.794 35.794 37.756 -1.962 19045 3002 1 4 . 1 1 157 157 PHE H H 157 8.030 8.030 7.569 0.461 19045 3003 1 4 . 1 1 158 158 VAL N N 158 118.961 118.961 119.630 -0.669 19045 3004 1 4 . 1 1 158 158 VAL HA H 158 3.425 3.425 4.314 -0.889 19045 3005 1 4 . 1 1 158 158 VAL CA C 158 67.288 67.288 67.300 -0.012 19045 3006 1 4 . 1 1 158 158 VAL CB C 158 31.554 31.554 31.604 -0.049 19045 3007 1 4 . 1 1 158 158 VAL H H 158 7.607 7.607 8.178 -0.571 19045 3008 1 4 . 1 1 159 159 VAL N N 159 119.773 119.773 118.219 1.554 19045 3009 1 4 . 1 1 159 159 VAL HA H 159 3.358 3.358 3.519 -0.161 19045 3010 1 4 . 1 1 159 159 VAL CA C 159 67.570 67.570 64.755 2.815 19045 3011 1 4 . 1 1 159 159 VAL CB C 159 32.355 32.355 30.334 2.021 19045 3012 1 4 . 1 1 159 159 VAL H H 159 8.039 8.039 7.926 0.113 19045 3013 1 4 . 1 1 160 160 ASP N N 160 118.382 118.382 121.534 -3.152 19045 3014 1 4 . 1 1 160 160 ASP HA H 160 4.293 4.293 4.233 0.060 19045 3015 1 4 . 1 1 160 160 ASP CA C 160 57.567 57.567 57.506 0.061 19045 3016 1 4 . 1 1 160 160 ASP CB C 160 41.474 41.474 41.230 0.244 19045 3017 1 4 . 1 1 160 160 ASP H H 160 8.752 8.752 8.041 0.711 19045 3018 1 4 . 1 1 161 161 PHE N N 161 119.972 119.972 118.183 1.789 19045 3019 1 4 . 1 1 161 161 PHE HA H 161 4.175 4.175 4.158 0.017 19045 3020 1 4 . 1 1 161 161 PHE CA C 161 62.688 62.688 60.194 2.494 19045 3021 1 4 . 1 1 161 161 PHE CB C 161 39.789 39.789 38.619 1.170 19045 3022 1 4 . 1 1 161 161 PHE H H 161 8.558 8.558 8.164 0.394 19045 3023 1 4 . 1 1 162 162 MET N N 162 116.261 116.261 118.730 -2.469 19045 3024 1 4 . 1 1 162 162 MET HA H 162 3.702 3.702 3.103 0.599 19045 3025 1 4 . 1 1 162 162 MET CA C 162 59.342 59.342 58.517 0.825 19045 3026 1 4 . 1 1 162 162 MET CB C 162 32.081 32.081 31.875 0.206 19045 3027 1 4 . 1 1 162 162 MET H H 162 8.597 8.597 7.073 1.524 19045 3028 1 4 . 1 1 163 163 LEU N N 163 119.069 119.069 116.553 2.516 19045 3029 1 4 . 1 1 163 163 LEU HA H 163 3.952 3.952 4.038 -0.086 19045 3030 1 4 . 1 1 163 163 LEU CA C 163 57.856 57.856 56.834 1.022 19045 3031 1 4 . 1 1 163 163 LEU CB C 163 42.236 42.236 42.079 0.157 19045 3032 1 4 . 1 1 163 163 LEU H H 163 8.291 8.291 7.259 1.032 19045 3033 1 4 . 1 1 164 164 HIS N N 164 113.591 113.591 112.255 1.336 19045 3034 1 4 . 1 1 164 164 HIS HA H 164 4.430 4.430 4.890 -0.460 19045 3035 1 4 . 1 1 164 164 HIS CA C 164 57.289 57.289 54.711 2.578 19045 3036 1 4 . 1 1 164 164 HIS CB C 164 28.766 28.766 28.088 0.678 19045 3037 1 4 . 1 1 164 164 HIS H H 164 8.111 8.111 6.927 1.184 19045 3038 1 4 . 1 1 165 165 HIS N N 165 115.730 115.730 120.522 -4.792 19045 3039 1 4 . 1 1 165 165 HIS HA H 165 4.602 4.602 4.780 -0.178 19045 3040 1 4 . 1 1 165 165 HIS CA C 165 54.752 54.752 57.355 -2.603 19045 3041 1 4 . 1 1 165 165 HIS CB C 165 26.766 26.766 32.345 -5.579 19045 3042 1 4 . 1 1 165 165 HIS H H 165 7.789 7.789 8.448 -0.659 19045 3043 1 4 . 1 1 166 166 CYS N N 166 109.533 109.533 115.005 -5.472 19045 3044 1 4 . 1 1 166 166 CYS HA H 166 4.274 4.274 4.307 -0.033 19045 3045 1 4 . 1 1 166 166 CYS CA C 166 61.452 61.452 60.239 1.213 19045 3046 1 4 . 1 1 166 166 CYS CB C 166 25.215 25.215 28.005 -2.790 19045 3047 1 4 . 1 1 166 166 CYS H H 166 7.761 7.761 8.564 -0.803 19045 3048 1 4 . 1 1 167 167 ILE N N 167 119.980 119.980 122.656 -2.676 19045 3049 1 4 . 1 1 167 167 ILE HA H 167 3.563 3.563 3.504 0.059 19045 3050 1 4 . 1 1 167 167 ILE CA C 167 62.212 62.212 63.838 -1.626 19045 3051 1 4 . 1 1 167 167 ILE CB C 167 35.969 35.969 36.366 -0.397 19045 3052 1 4 . 1 1 167 167 ILE H H 167 7.574 7.574 8.159 -0.585 19045 3053 1 4 . 1 1 168 168 ALA N N 168 121.737 121.737 122.760 -1.023 19045 3054 1 4 . 1 1 168 168 ALA HA H 168 3.775 3.775 3.804 -0.029 19045 3055 1 4 . 1 1 168 168 ALA CA C 168 55.082 55.082 55.486 -0.404 19045 3056 1 4 . 1 1 168 168 ALA CB C 168 16.505 16.505 17.970 -1.465 19045 3057 1 4 . 1 1 168 168 ALA H H 168 7.935 7.935 7.637 0.298 19045 3058 1 4 . 1 1 169 169 ARG N N 169 118.369 118.369 119.766 -1.397 19045 3059 1 4 . 1 1 169 169 ARG HA H 169 3.550 3.550 3.922 -0.372 19045 3060 1 4 . 1 1 169 169 ARG CA C 169 59.581 59.581 59.727 -0.146 19045 3061 1 4 . 1 1 169 169 ARG CB C 169 29.380 29.380 29.831 -0.451 19045 3062 1 4 . 1 1 169 169 ARG H H 169 7.936 7.936 8.457 -0.521 19045 3063 1 4 . 1 1 170 170 TRP N N 170 121.173 121.173 121.073 0.100 19045 3064 1 4 . 1 1 170 170 TRP HA H 170 3.763 3.763 4.136 -0.373 19045 3065 1 4 . 1 1 170 170 TRP CA C 170 62.080 62.080 61.254 0.827 19045 3066 1 4 . 1 1 170 170 TRP CB C 170 29.423 29.423 29.280 0.143 19045 3067 1 4 . 1 1 170 170 TRP H H 170 7.259 7.259 8.001 -0.742 19045 3068 1 4 . 1 1 171 171 ILE N N 171 117.994 117.994 118.520 -0.526 19045 3069 1 4 . 1 1 171 171 ILE HA H 171 2.864 2.864 3.055 -0.191 19045 3070 1 4 . 1 1 171 171 ILE CA C 171 65.347 65.347 64.900 0.447 19045 3071 1 4 . 1 1 171 171 ILE CB C 171 37.781 37.781 37.507 0.274 19045 3072 1 4 . 1 1 171 171 ILE H H 171 8.074 8.074 8.678 -0.604 19045 3073 1 4 . 1 1 172 172 ALA N N 172 123.588 123.588 120.373 3.215 19045 3074 1 4 . 1 1 172 172 ALA HA H 172 3.506 3.506 3.898 -0.392 19045 3075 1 4 . 1 1 172 172 ALA CA C 172 55.685 55.685 54.834 0.851 19045 3076 1 4 . 1 1 172 172 ALA CB C 172 17.050 17.050 18.134 -1.084 19045 3077 1 4 . 1 1 172 172 ALA H H 172 8.511 8.511 7.919 0.592 19045 3078 1 4 . 1 1 173 173 GLN N N 173 117.382 117.382 116.360 1.022 19045 3079 1 4 . 1 1 173 173 GLN HA H 173 3.854 3.854 4.021 -0.167 19045 3080 1 4 . 1 1 173 173 GLN CA C 173 57.904 57.904 57.661 0.243 19045 3081 1 4 . 1 1 173 173 GLN CB C 173 28.141 28.141 28.839 -0.698 19045 3082 1 4 . 1 1 173 173 GLN H H 173 7.898 7.898 7.602 0.296 19045 3083 1 4 . 1 1 174 174 ARG N N 174 116.800 116.800 116.390 0.410 19045 3084 1 4 . 1 1 174 174 ARG HA H 174 4.097 4.097 4.070 0.027 19045 3085 1 4 . 1 1 174 174 ARG CA C 174 55.395 55.395 55.727 -0.332 19045 3086 1 4 . 1 1 174 174 ARG CB C 174 29.652 29.652 30.207 -0.555 19045 3087 1 4 . 1 1 174 174 ARG H H 174 6.984 6.984 7.640 -0.656 19045 3088 1 4 . 1 1 175 175 GLY N N 175 104.194 104.194 105.694 -1.500 19045 3089 1 4 . 1 1 175 175 GLY CA C 175 44.340 44.340 44.743 -0.403 19045 3090 1 4 . 1 1 175 175 GLY H H 175 7.418 7.418 7.302 0.116 19045 3091 1 4 . 1 1 176 176 GLY N N 176 107.629 107.629 107.292 0.337 19045 3092 1 4 . 1 1 176 176 GLY CA C 176 43.501 43.501 44.782 -1.280 19045 3093 1 4 . 1 1 176 176 GLY H H 176 8.072 8.072 7.603 0.469 19045 3094 1 4 . 1 1 177 177 TRP N N 177 117.887 117.887 120.942 -3.055 19045 3095 1 4 . 1 1 177 177 TRP HA H 177 4.476 4.476 4.742 -0.266 19045 3096 1 4 . 1 1 177 177 TRP CA C 177 61.083 61.083 60.400 0.683 19045 3097 1 4 . 1 1 177 177 TRP CB C 177 30.927 30.927 29.352 1.575 19045 3098 1 4 . 1 1 177 177 TRP H H 177 8.218 8.218 8.939 -0.721 19045 3099 1 4 . 1 1 178 178 VAL N N 178 112.929 112.929 117.936 -5.007 19045 3100 1 4 . 1 1 178 178 VAL HA H 178 3.688 3.688 3.937 -0.249 19045 3101 1 4 . 1 1 178 178 VAL CA C 178 64.680 64.680 64.131 0.549 19045 3102 1 4 . 1 1 178 178 VAL CB C 178 31.057 31.057 30.178 0.879 19045 3103 1 4 . 1 1 178 178 VAL H H 178 8.284 8.284 7.890 0.394 19045 3104 1 4 . 1 1 179 179 ALA N N 179 125.101 125.101 122.149 2.952 19045 3105 1 4 . 1 1 179 179 ALA HA H 179 4.009 4.009 4.414 -0.405 19045 3106 1 4 . 1 1 179 179 ALA CA C 179 54.344 54.344 53.085 1.259 19045 3107 1 4 . 1 1 179 179 ALA CB C 179 18.555 18.555 18.961 -0.406 19045 3108 1 4 . 1 1 179 179 ALA H H 179 7.670 7.670 8.037 -0.367 19045 3109 1 4 . 1 1 180 180 ALA N N 180 119.081 119.081 122.261 -3.180 19045 3110 1 4 . 1 1 180 180 ALA HA H 180 3.293 3.293 3.522 -0.229 19045 3111 1 4 . 1 1 180 180 ALA CA C 180 52.783 52.783 53.773 -0.990 19045 3112 1 4 . 1 1 180 180 ALA CB C 180 18.113 18.113 17.908 0.205 19045 3113 1 4 . 1 1 180 180 ALA H H 180 8.058 8.058 7.371 0.687 19045 3114 1 4 . 1 1 181 181 LEU N N 181 114.169 114.169 114.570 -0.401 19045 3115 1 4 . 1 1 181 181 LEU HA H 181 3.911 3.911 4.082 -0.171 19045 3116 1 4 . 1 1 181 181 LEU CA C 181 56.128 56.128 56.550 -0.422 19045 3117 1 4 . 1 1 181 181 LEU CB C 181 40.955 40.955 41.452 -0.497 19045 3118 1 4 . 1 1 181 181 LEU H H 181 7.342 7.342 8.036 -0.694 19045 3119 1 4 . 1 1 182 182 ASN N N 182 115.061 115.061 115.950 -0.889 19045 3120 1 4 . 1 1 182 182 ASN HA H 182 4.743 4.743 4.719 0.024 19045 3121 1 4 . 1 1 182 182 ASN CA C 182 52.508 52.508 52.799 -0.291 19045 3122 1 4 . 1 1 182 182 ASN CB C 182 39.091 39.091 38.615 0.476 19045 3123 1 4 . 1 1 182 182 ASN H H 182 7.289 7.289 7.466 -0.177 19045 3124 1 4 . 1 1 183 183 LEU N N 183 119.889 119.889 119.654 0.235 19045 3125 1 4 . 1 1 183 183 LEU HA H 183 4.125 4.125 4.504 -0.379 19045 3126 1 4 . 1 1 183 183 LEU CA C 183 55.201 55.201 54.334 0.867 19045 3127 1 4 . 1 1 183 183 LEU CB C 183 42.174 42.174 43.341 -1.167 19045 3128 1 4 . 1 1 183 183 LEU H H 183 7.148 7.148 7.509 -0.361 19045 3129 1 4 . 1 1 184 184 GLY N N 184 107.883 107.883 110.687 -2.804 19045 3130 1 4 . 1 1 184 184 GLY CA C 184 45.256 45.256 46.936 -1.680 19045 3131 1 4 . 1 1 184 184 GLY H H 184 8.486 8.486 8.491 -0.005 19045 3132 1 4 . 1 1 185 185 ASN N N 185 118.093 118.093 123.101 -5.008 19045 3133 1 4 . 1 1 185 185 ASN HA H 185 4.755 4.755 4.864 -0.109 19045 3134 1 4 . 1 1 185 185 ASN CA C 185 52.812 52.812 52.502 0.310 19045 3135 1 4 . 1 1 185 185 ASN CB C 185 39.297 39.297 39.427 -0.130 19045 3136 1 4 . 1 1 185 185 ASN H H 185 8.074 8.074 8.463 -0.388 19045 3137 1 5 . 1 1 19 19 LEU N N 19 122.834 122.834 122.933 -0.099 19045 3138 1 5 . 1 1 19 19 LEU HA H 19 4.523 4.523 4.812 -0.289 19045 3139 1 5 . 1 1 19 19 LEU CA C 19 52.690 52.690 53.133 -0.443 19045 3140 1 5 . 1 1 19 19 LEU CB C 19 41.808 41.808 41.606 0.202 19045 3141 1 5 . 1 1 19 19 LEU H H 19 8.080 8.080 8.022 0.058 19045 3142 1 5 . 1 1 20 20 PRO HA H 20 4.353 4.353 4.559 -0.206 19045 3143 1 5 . 1 1 20 20 PRO CA C 20 62.826 62.826 62.320 0.506 19045 3144 1 5 . 1 1 20 20 PRO CB C 20 31.969 31.969 32.241 -0.272 19045 3145 1 5 . 1 1 21 21 SER N N 21 116.268 116.268 114.053 2.215 19045 3146 1 5 . 1 1 21 21 SER HA H 21 4.249 4.249 4.909 -0.660 19045 3147 1 5 . 1 1 21 21 SER CA C 21 58.338 58.338 57.612 0.726 19045 3148 1 5 . 1 1 21 21 SER CB C 21 63.856 63.856 64.356 -0.499 19045 3149 1 5 . 1 1 21 21 SER H H 21 8.246 8.246 8.276 -0.030 19045 3150 1 5 . 1 1 22 22 ALA N N 22 125.246 125.246 124.508 0.738 19045 3151 1 5 . 1 1 22 22 ALA HA H 22 4.405 4.405 4.566 -0.161 19045 3152 1 5 . 1 1 22 22 ALA CA C 22 52.086 52.086 50.958 1.128 19045 3153 1 5 . 1 1 22 22 ALA CB C 22 19.582 19.582 20.589 -1.007 19045 3154 1 5 . 1 1 22 22 ALA H H 22 8.192 8.192 7.799 0.393 19045 3155 1 5 . 1 1 23 23 SER N N 23 114.236 114.236 113.497 0.739 19045 3156 1 5 . 1 1 23 23 SER HA H 23 4.469 4.469 4.657 -0.188 19045 3157 1 5 . 1 1 23 23 SER CA C 23 57.386 57.386 57.570 -0.184 19045 3158 1 5 . 1 1 23 23 SER CB C 23 64.582 64.582 65.930 -1.348 19045 3159 1 5 . 1 1 23 23 SER H H 23 8.081 8.081 8.191 -0.110 19045 3160 1 5 . 1 1 24 24 GLU N N 24 124.005 124.005 123.625 0.380 19045 3161 1 5 . 1 1 24 24 GLU HA H 24 3.534 3.534 3.820 -0.286 19045 3162 1 5 . 1 1 24 24 GLU CA C 24 59.772 59.772 59.869 -0.097 19045 3163 1 5 . 1 1 24 24 GLU CB C 24 29.798 29.798 28.760 1.038 19045 3164 1 5 . 1 1 24 24 GLU H H 24 8.702 8.702 9.070 -0.368 19045 3165 1 5 . 1 1 25 25 GLU N N 25 118.390 118.390 118.559 -0.169 19045 3166 1 5 . 1 1 25 25 GLU HA H 25 3.796 3.796 3.991 -0.195 19045 3167 1 5 . 1 1 25 25 GLU CA C 25 59.939 59.939 59.309 0.630 19045 3168 1 5 . 1 1 25 25 GLU CB C 25 29.217 29.217 29.170 0.047 19045 3169 1 5 . 1 1 25 25 GLU H H 25 8.559 8.559 8.662 -0.103 19045 3170 1 5 . 1 1 26 26 GLN N N 26 120.776 120.776 118.972 1.804 19045 3171 1 5 . 1 1 26 26 GLN HA H 26 3.916 3.916 4.382 -0.466 19045 3172 1 5 . 1 1 26 26 GLN CA C 26 58.343 58.343 58.428 -0.085 19045 3173 1 5 . 1 1 26 26 GLN CB C 26 28.119 28.119 28.183 -0.064 19045 3174 1 5 . 1 1 26 26 GLN H H 26 7.764 7.764 7.572 0.192 19045 3175 1 5 . 1 1 27 27 VAL N N 27 118.723 118.723 121.591 -2.868 19045 3176 1 5 . 1 1 27 27 VAL HA H 27 3.933 3.933 3.780 0.153 19045 3177 1 5 . 1 1 27 27 VAL CA C 27 66.285 66.285 66.409 -0.124 19045 3178 1 5 . 1 1 27 27 VAL CB C 27 31.596 31.596 31.469 0.127 19045 3179 1 5 . 1 1 27 27 VAL H H 27 8.062 8.062 8.351 -0.289 19045 3180 1 5 . 1 1 28 28 ALA N N 28 122.902 122.902 122.241 0.661 19045 3181 1 5 . 1 1 28 28 ALA HA H 28 4.026 4.026 4.025 0.001 19045 3182 1 5 . 1 1 28 28 ALA CA C 28 56.178 56.178 55.307 0.871 19045 3183 1 5 . 1 1 28 28 ALA CB C 28 18.463 18.463 18.550 -0.087 19045 3184 1 5 . 1 1 28 28 ALA H H 28 8.412 8.412 8.163 0.249 19045 3185 1 5 . 1 1 29 29 GLN N N 29 117.996 117.996 117.368 0.628 19045 3186 1 5 . 1 1 29 29 GLN HA H 29 4.084 4.084 4.164 -0.080 19045 3187 1 5 . 1 1 29 29 GLN CA C 29 59.063 59.063 58.298 0.765 19045 3188 1 5 . 1 1 29 29 GLN CB C 29 28.452 28.452 28.169 0.282 19045 3189 1 5 . 1 1 29 29 GLN H H 29 7.900 7.900 7.715 0.185 19045 3190 1 5 . 1 1 30 30 ASP N N 30 121.907 121.907 119.987 1.920 19045 3191 1 5 . 1 1 30 30 ASP HA H 30 4.521 4.521 4.359 0.162 19045 3192 1 5 . 1 1 30 30 ASP CA C 30 57.038 57.038 56.800 0.238 19045 3193 1 5 . 1 1 30 30 ASP CB C 30 41.939 41.939 40.303 1.636 19045 3194 1 5 . 1 1 30 30 ASP H H 30 8.888 8.888 8.248 0.640 19045 3195 1 5 . 1 1 31 31 THR N N 31 114.861 114.861 116.711 -1.850 19045 3196 1 5 . 1 1 31 31 THR HA H 31 3.493 3.493 3.537 -0.044 19045 3197 1 5 . 1 1 31 31 THR CA C 31 66.946 66.946 66.950 -0.004 19045 3198 1 5 . 1 1 31 31 THR CB C 31 68.523 68.523 68.872 -0.349 19045 3199 1 5 . 1 1 31 31 THR H H 31 8.069 8.069 8.133 -0.064 19045 3200 1 5 . 1 1 32 32 GLU N N 32 120.848 120.848 121.095 -0.247 19045 3201 1 5 . 1 1 32 32 GLU HA H 32 3.597 3.597 3.910 -0.313 19045 3202 1 5 . 1 1 32 32 GLU CA C 32 60.899 60.899 59.577 1.322 19045 3203 1 5 . 1 1 32 32 GLU CB C 32 28.963 28.963 28.910 0.053 19045 3204 1 5 . 1 1 32 32 GLU H H 32 7.578 7.578 8.097 -0.519 19045 3205 1 5 . 1 1 33 33 GLU N N 33 117.741 117.741 119.863 -2.122 19045 3206 1 5 . 1 1 33 33 GLU HA H 33 3.938 3.938 4.053 -0.115 19045 3207 1 5 . 1 1 33 33 GLU CA C 33 58.768 58.768 59.327 -0.559 19045 3208 1 5 . 1 1 33 33 GLU CB C 33 29.708 29.708 29.622 0.086 19045 3209 1 5 . 1 1 33 33 GLU H H 33 7.446 7.446 7.935 -0.489 19045 3210 1 5 . 1 1 34 34 VAL N N 34 120.239 120.239 119.661 0.578 19045 3211 1 5 . 1 1 34 34 VAL HA H 34 3.108 3.108 3.632 -0.524 19045 3212 1 5 . 1 1 34 34 VAL CA C 34 66.979 66.979 65.671 1.308 19045 3213 1 5 . 1 1 34 34 VAL CB C 34 31.884 31.884 30.993 0.891 19045 3214 1 5 . 1 1 34 34 VAL H H 34 7.792 7.792 7.810 -0.018 19045 3215 1 5 . 1 1 35 35 PHE N N 35 117.559 117.559 122.046 -4.487 19045 3216 1 5 . 1 1 35 35 PHE HA H 35 4.209 4.209 4.061 0.148 19045 3217 1 5 . 1 1 35 35 PHE CA C 35 61.592 61.592 62.467 -0.875 19045 3218 1 5 . 1 1 35 35 PHE CB C 35 39.066 39.066 39.176 -0.110 19045 3219 1 5 . 1 1 35 35 PHE H H 35 8.895 8.895 8.396 0.499 19045 3220 1 5 . 1 1 36 36 ARG N N 36 116.705 116.705 119.188 -2.483 19045 3221 1 5 . 1 1 36 36 ARG HA H 36 3.555 3.555 3.976 -0.421 19045 3222 1 5 . 1 1 36 36 ARG CA C 36 59.906 59.906 59.279 0.626 19045 3223 1 5 . 1 1 36 36 ARG CB C 36 29.654 29.654 30.052 -0.398 19045 3224 1 5 . 1 1 36 36 ARG H H 36 8.182 8.182 8.397 -0.215 19045 3225 1 5 . 1 1 37 37 SER N N 37 112.628 112.628 115.546 -2.918 19045 3226 1 5 . 1 1 37 37 SER HA H 37 4.122 4.122 4.269 -0.147 19045 3227 1 5 . 1 1 37 37 SER CA C 37 61.258 61.258 61.478 -0.220 19045 3228 1 5 . 1 1 37 37 SER CB C 37 63.089 63.089 63.086 0.003 19045 3229 1 5 . 1 1 37 37 SER H H 37 7.845 7.845 8.171 -0.326 19045 3230 1 5 . 1 1 38 38 TYR N N 38 122.458 122.458 123.895 -1.437 19045 3231 1 5 . 1 1 38 38 TYR HA H 38 3.927 3.927 4.062 -0.135 19045 3232 1 5 . 1 1 38 38 TYR CA C 38 62.006 62.006 61.302 0.704 19045 3233 1 5 . 1 1 38 38 TYR CB C 38 38.892 38.892 38.350 0.542 19045 3234 1 5 . 1 1 38 38 TYR H H 38 8.793 8.793 8.076 0.717 19045 3235 1 5 . 1 1 39 39 VAL N N 39 115.951 115.951 119.044 -3.093 19045 3236 1 5 . 1 1 39 39 VAL HA H 39 3.209 3.209 3.000 0.209 19045 3237 1 5 . 1 1 39 39 VAL CA C 39 65.982 65.982 64.684 1.298 19045 3238 1 5 . 1 1 39 39 VAL CB C 39 30.884 30.884 30.511 0.373 19045 3239 1 5 . 1 1 39 39 VAL H H 39 8.348 8.348 7.789 0.559 19045 3240 1 5 . 1 1 40 40 PHE N N 40 119.608 119.608 121.873 -2.265 19045 3241 1 5 . 1 1 40 40 PHE HA H 40 3.915 3.915 4.159 -0.244 19045 3242 1 5 . 1 1 40 40 PHE CA C 40 61.651 61.651 60.616 1.035 19045 3243 1 5 . 1 1 40 40 PHE CB C 40 39.411 39.411 38.744 0.667 19045 3244 1 5 . 1 1 40 40 PHE H H 40 7.596 7.596 8.138 -0.542 19045 3245 1 5 . 1 1 41 41 TYR N N 41 117.686 117.686 119.028 -1.342 19045 3246 1 5 . 1 1 41 41 TYR HA H 41 3.818 3.818 3.776 0.042 19045 3247 1 5 . 1 1 41 41 TYR CA C 41 63.446 63.446 60.220 3.226 19045 3248 1 5 . 1 1 41 41 TYR CB C 41 37.528 37.528 37.876 -0.348 19045 3249 1 5 . 1 1 41 41 TYR H H 41 8.578 8.578 8.203 0.375 19045 3250 1 5 . 1 1 42 42 ARG N N 42 121.382 121.382 119.240 2.142 19045 3251 1 5 . 1 1 42 42 ARG HA H 42 3.581 3.581 3.722 -0.141 19045 3252 1 5 . 1 1 42 42 ARG CA C 42 57.999 57.999 59.332 -1.333 19045 3253 1 5 . 1 1 42 42 ARG CB C 42 26.992 26.992 29.857 -2.865 19045 3254 1 5 . 1 1 42 42 ARG H H 42 8.784 8.784 8.093 0.691 19045 3255 1 5 . 1 1 43 43 HIS N N 43 118.684 118.684 118.013 0.671 19045 3256 1 5 . 1 1 43 43 HIS HA H 43 4.291 4.291 4.246 0.045 19045 3257 1 5 . 1 1 43 43 HIS CA C 43 60.041 60.041 58.774 1.267 19045 3258 1 5 . 1 1 43 43 HIS CB C 43 27.938 27.938 29.909 -1.971 19045 3259 1 5 . 1 1 43 43 HIS H H 43 8.268 8.268 8.022 0.246 19045 3260 1 5 . 1 1 44 44 GLN N N 44 117.841 117.841 120.008 -2.167 19045 3261 1 5 . 1 1 44 44 GLN HA H 44 3.638 3.638 3.773 -0.135 19045 3262 1 5 . 1 1 44 44 GLN CA C 44 58.681 58.681 59.448 -0.767 19045 3263 1 5 . 1 1 44 44 GLN CB C 44 28.977 28.977 28.188 0.789 19045 3264 1 5 . 1 1 44 44 GLN H H 44 7.722 7.722 7.994 -0.272 19045 3265 1 5 . 1 1 45 45 GLN N N 45 117.756 117.756 116.624 1.132 19045 3266 1 5 . 1 1 45 45 GLN HA H 45 3.932 3.932 4.058 -0.126 19045 3267 1 5 . 1 1 45 45 GLN CA C 45 57.923 57.923 58.237 -0.314 19045 3268 1 5 . 1 1 45 45 GLN CB C 45 28.039 28.039 28.702 -0.663 19045 3269 1 5 . 1 1 45 45 GLN H H 45 7.808 7.808 7.474 0.334 19045 3270 1 5 . 1 1 46 46 GLU N N 46 119.876 119.876 119.728 0.148 19045 3271 1 5 . 1 1 46 46 GLU HA H 46 3.951 3.951 4.066 -0.115 19045 3272 1 5 . 1 1 46 46 GLU CA C 46 58.956 58.956 58.986 -0.030 19045 3273 1 5 . 1 1 46 46 GLU CB C 46 29.166 29.166 29.263 -0.097 19045 3274 1 5 . 1 1 46 46 GLU H H 46 7.781 7.781 7.492 0.289 19045 3275 1 5 . 1 1 47 47 GLN N N 47 118.282 118.282 118.831 -0.549 19045 3276 1 5 . 1 1 47 47 GLN HA H 47 3.800 3.800 3.992 -0.192 19045 3277 1 5 . 1 1 47 47 GLN CA C 47 57.892 57.892 58.855 -0.963 19045 3278 1 5 . 1 1 47 47 GLN CB C 47 28.662 28.662 28.489 0.173 19045 3279 1 5 . 1 1 47 47 GLN H H 47 7.775 7.775 8.327 -0.552 19045 3280 1 5 . 1 1 48 48 GLU N N 48 118.519 118.519 117.303 1.216 19045 3281 1 5 . 1 1 48 48 GLU HA H 48 4.009 4.009 4.185 -0.176 19045 3282 1 5 . 1 1 48 48 GLU CA C 48 57.586 57.586 58.193 -0.607 19045 3283 1 5 . 1 1 48 48 GLU CB C 48 28.922 28.922 29.125 -0.203 19045 3284 1 5 . 1 1 48 48 GLU H H 48 7.721 7.721 7.877 -0.156 19045 3285 1 5 . 1 1 49 49 ALA N N 49 121.657 121.657 122.746 -1.089 19045 3286 1 5 . 1 1 49 49 ALA HA H 49 4.140 4.140 4.202 -0.062 19045 3287 1 5 . 1 1 49 49 ALA CA C 49 53.389 53.389 53.575 -0.186 19045 3288 1 5 . 1 1 49 49 ALA CB C 49 19.111 19.111 19.634 -0.523 19045 3289 1 5 . 1 1 49 49 ALA H H 49 7.675 7.675 7.668 0.007 19045 3290 1 5 . 1 1 50 50 GLU N N 50 116.803 116.803 116.486 0.317 19045 3291 1 5 . 1 1 50 50 GLU HA H 50 4.182 4.182 4.608 -0.426 19045 3292 1 5 . 1 1 50 50 GLU CA C 50 56.420 56.420 54.350 2.070 19045 3293 1 5 . 1 1 50 50 GLU CB C 50 29.798 29.798 31.416 -1.618 19045 3294 1 5 . 1 1 50 50 GLU H H 50 8.106 8.106 8.437 -0.331 19045 3295 1 5 . 1 1 51 51 GLY N N 51 109.812 109.812 107.352 2.460 19045 3296 1 5 . 1 1 51 51 GLY CA C 51 45.739 45.739 44.459 1.280 19045 3297 1 5 . 1 1 51 51 GLY H H 51 8.060 8.060 8.508 -0.448 19045 3298 1 5 . 1 1 52 52 VAL N N 52 118.668 118.668 118.061 0.607 19045 3299 1 5 . 1 1 52 52 VAL HA H 52 4.001 4.001 4.035 -0.034 19045 3300 1 5 . 1 1 52 52 VAL CA C 52 62.175 62.175 61.959 0.216 19045 3301 1 5 . 1 1 52 52 VAL CB C 52 32.294 32.294 31.412 0.882 19045 3302 1 5 . 1 1 52 52 VAL H H 52 7.718 7.718 7.480 0.238 19045 3303 1 5 . 1 1 53 53 ALA N N 53 125.624 125.624 122.589 3.035 19045 3304 1 5 . 1 1 53 53 ALA HA H 53 4.220 4.220 4.386 -0.166 19045 3305 1 5 . 1 1 53 53 ALA CA C 53 51.869 51.869 51.839 0.030 19045 3306 1 5 . 1 1 53 53 ALA CB C 53 19.065 19.065 18.116 0.949 19045 3307 1 5 . 1 1 53 53 ALA H H 53 8.073 8.073 8.272 -0.199 19045 3308 1 5 . 1 1 54 54 ALA N N 54 123.638 123.638 122.465 1.173 19045 3309 1 5 . 1 1 54 54 ALA HA H 54 4.472 4.472 4.039 0.433 19045 3310 1 5 . 1 1 54 54 ALA CA C 54 49.869 49.869 50.848 -0.979 19045 3311 1 5 . 1 1 54 54 ALA CB C 54 18.488 18.488 18.168 0.320 19045 3312 1 5 . 1 1 54 54 ALA H H 54 7.718 7.718 7.652 0.066 19045 3313 1 5 . 1 1 55 55 PRO HA H 55 4.292 4.292 4.429 -0.137 19045 3314 1 5 . 1 1 55 55 PRO CA C 55 62.966 62.966 63.311 -0.345 19045 3315 1 5 . 1 1 55 55 PRO CB C 55 31.754 31.754 32.838 -1.084 19045 3316 1 5 . 1 1 56 56 ALA N N 56 124.218 124.218 123.777 0.441 19045 3317 1 5 . 1 1 56 56 ALA HA H 56 4.220 4.220 4.382 -0.162 19045 3318 1 5 . 1 1 56 56 ALA CB C 56 19.119 19.119 20.091 -0.972 19045 3319 1 5 . 1 1 56 56 ALA H H 56 8.259 8.259 7.971 0.288 19045 3320 1 5 . 1 1 57 57 ASP N N 57 120.884 120.884 117.837 3.047 19045 3321 1 5 . 1 1 57 57 ASP HA H 57 4.572 4.572 4.456 0.116 19045 3322 1 5 . 1 1 57 57 ASP CA C 57 52.742 52.742 53.794 -1.052 19045 3323 1 5 . 1 1 57 57 ASP CB C 57 41.642 41.642 39.512 2.130 19045 3324 1 5 . 1 1 57 57 ASP H H 57 7.829 7.829 8.564 -0.735 19045 3325 1 5 . 1 1 58 58 PRO HA H 58 4.052 4.052 4.364 -0.312 19045 3326 1 5 . 1 1 58 58 PRO CA C 58 64.128 64.128 63.177 0.951 19045 3327 1 5 . 1 1 58 58 PRO CB C 58 31.989 31.989 32.535 -0.545 19045 3328 1 5 . 1 1 59 59 GLU HA H 59 4.549 4.549 4.435 0.114 19045 3329 1 5 . 1 1 59 59 GLU CA C 59 54.266 54.266 55.451 -1.185 19045 3330 1 5 . 1 1 59 59 GLU CB C 59 29.285 29.285 31.425 -2.140 19045 3331 1 5 . 1 1 60 60 MET HA H 60 3.846 3.846 4.271 -0.425 19045 3332 1 5 . 1 1 60 60 MET CA C 60 57.219 57.219 58.192 -0.973 19045 3333 1 5 . 1 1 60 60 MET CB C 60 31.894 31.894 32.620 -0.726 19045 3334 1 5 . 1 1 60 60 MET H H 60 7.070 7.070 8.585 -1.515 19045 3335 1 5 . 1 1 61 61 VAL N N 61 113.014 113.014 117.579 -4.565 19045 3336 1 5 . 1 1 61 61 VAL HA H 61 4.051 4.051 4.093 -0.042 19045 3337 1 5 . 1 1 61 61 VAL CA C 61 62.799 62.799 63.396 -0.597 19045 3338 1 5 . 1 1 61 61 VAL CB C 61 31.993 31.993 32.029 -0.036 19045 3339 1 5 . 1 1 61 61 VAL H H 61 6.833 6.833 8.339 -1.506 19045 3340 1 5 . 1 1 62 62 THR N N 62 110.188 110.188 111.274 -1.086 19045 3341 1 5 . 1 1 62 62 THR HA H 62 4.230 4.230 3.917 0.313 19045 3342 1 5 . 1 1 62 62 THR CA C 62 60.947 60.947 62.796 -1.849 19045 3343 1 5 . 1 1 62 62 THR CB C 62 69.192 69.192 68.942 0.250 19045 3344 1 5 . 1 1 62 62 THR H H 62 7.101 7.101 7.421 -0.320 19045 3345 1 5 . 1 1 63 63 LEU N N 63 125.158 125.158 123.249 1.909 19045 3346 1 5 . 1 1 63 63 LEU HA H 63 4.205 4.205 4.766 -0.561 19045 3347 1 5 . 1 1 63 63 LEU CA C 63 52.688 52.688 50.973 1.715 19045 3348 1 5 . 1 1 63 63 LEU CB C 63 42.252 42.252 42.768 -0.516 19045 3349 1 5 . 1 1 63 63 LEU H H 63 7.079 7.079 8.083 -1.004 19045 3350 1 5 . 1 1 64 64 PRO HA H 64 4.282 4.282 4.453 -0.171 19045 3351 1 5 . 1 1 64 64 PRO CA C 64 62.613 62.613 62.261 0.352 19045 3352 1 5 . 1 1 64 64 PRO CB C 64 30.705 30.705 30.588 0.117 19045 3353 1 5 . 1 1 65 65 LEU N N 65 122.384 122.384 123.144 -0.760 19045 3354 1 5 . 1 1 65 65 LEU HA H 65 4.234 4.234 4.333 -0.099 19045 3355 1 5 . 1 1 65 65 LEU CA C 65 54.499 54.499 55.735 -1.236 19045 3356 1 5 . 1 1 65 65 LEU CB C 65 43.438 43.438 43.299 0.139 19045 3357 1 5 . 1 1 65 65 LEU H H 65 7.653 7.653 7.723 -0.070 19045 3358 1 5 . 1 1 66 66 GLN N N 66 121.802 121.802 121.576 0.226 19045 3359 1 5 . 1 1 66 66 GLN HA H 66 4.209 4.209 4.767 -0.558 19045 3360 1 5 . 1 1 66 66 GLN CA C 66 52.783 52.783 52.584 0.199 19045 3361 1 5 . 1 1 66 66 GLN CB C 66 28.136 28.136 28.666 -0.530 19045 3362 1 5 . 1 1 66 66 GLN H H 66 8.634 8.634 8.628 0.006 19045 3363 1 5 . 1 1 67 67 PRO HA H 67 4.139 4.139 4.476 -0.337 19045 3364 1 5 . 1 1 67 67 PRO CA C 67 64.488 64.488 63.888 0.600 19045 3365 1 5 . 1 1 67 67 PRO CB C 67 32.003 32.003 31.907 0.096 19045 3366 1 5 . 1 1 68 68 SER N N 68 111.024 111.024 112.635 -1.611 19045 3367 1 5 . 1 1 68 68 SER HA H 68 4.313 4.313 4.448 -0.135 19045 3368 1 5 . 1 1 68 68 SER CA C 68 57.991 57.991 58.756 -0.765 19045 3369 1 5 . 1 1 68 68 SER CB C 68 63.252 63.252 63.479 -0.227 19045 3370 1 5 . 1 1 68 68 SER H H 68 8.119 8.119 8.478 -0.359 19045 3371 1 5 . 1 1 69 69 SER N N 69 117.598 117.598 117.513 0.085 19045 3372 1 5 . 1 1 69 69 SER HA H 69 4.440 4.440 4.828 -0.388 19045 3373 1 5 . 1 1 69 69 SER CA C 69 57.518 57.518 56.606 0.912 19045 3374 1 5 . 1 1 69 69 SER CB C 69 64.587 64.587 64.663 -0.076 19045 3375 1 5 . 1 1 69 69 SER H H 69 7.723 7.723 7.494 0.229 19045 3376 1 5 . 1 1 70 70 THR N N 70 121.887 121.887 117.894 3.993 19045 3377 1 5 . 1 1 70 70 THR HA H 70 3.873 3.873 4.154 -0.281 19045 3378 1 5 . 1 1 70 70 THR CA C 70 66.723 66.723 65.544 1.179 19045 3379 1 5 . 1 1 70 70 THR CB C 70 68.385 68.385 68.675 -0.290 19045 3380 1 5 . 1 1 70 70 THR H H 70 8.827 8.827 8.746 0.081 19045 3381 1 5 . 1 1 71 71 MET N N 71 117.344 117.344 120.511 -3.167 19045 3382 1 5 . 1 1 71 71 MET HA H 71 4.469 4.469 4.053 0.416 19045 3383 1 5 . 1 1 71 71 MET CA C 71 56.260 56.260 59.834 -3.574 19045 3384 1 5 . 1 1 71 71 MET CB C 71 31.696 31.696 31.986 -0.290 19045 3385 1 5 . 1 1 71 71 MET H H 71 8.454 8.454 8.251 0.203 19045 3386 1 5 . 1 1 72 72 GLY N N 72 108.884 108.884 103.848 5.036 19045 3387 1 5 . 1 1 72 72 GLY CA C 72 46.884 46.884 46.344 0.540 19045 3388 1 5 . 1 1 72 72 GLY H H 72 7.979 7.979 7.685 0.294 19045 3389 1 5 . 1 1 73 73 GLN N N 73 121.522 121.522 121.238 0.284 19045 3390 1 5 . 1 1 73 73 GLN HA H 73 3.857 3.857 4.121 -0.264 19045 3391 1 5 . 1 1 73 73 GLN CA C 73 58.220 58.220 58.174 0.046 19045 3392 1 5 . 1 1 73 73 GLN CB C 73 28.309 28.309 28.534 -0.225 19045 3393 1 5 . 1 1 73 73 GLN H H 73 7.859 7.859 7.486 0.373 19045 3394 1 5 . 1 1 74 74 VAL N N 74 121.291 121.291 120.345 0.946 19045 3395 1 5 . 1 1 74 74 VAL HA H 74 3.359 3.359 3.585 -0.226 19045 3396 1 5 . 1 1 74 74 VAL CA C 74 67.150 67.150 66.673 0.477 19045 3397 1 5 . 1 1 74 74 VAL CB C 74 31.249 31.249 31.581 -0.332 19045 3398 1 5 . 1 1 74 74 VAL H H 74 8.155 8.155 7.897 0.258 19045 3399 1 5 . 1 1 75 75 GLY N N 75 105.037 105.037 106.133 -1.096 19045 3400 1 5 . 1 1 75 75 GLY CA C 75 48.385 48.385 47.099 1.286 19045 3401 1 5 . 1 1 75 75 GLY H H 75 8.154 8.154 7.710 0.444 19045 3402 1 5 . 1 1 76 76 ARG N N 76 119.292 119.292 120.794 -1.502 19045 3403 1 5 . 1 1 76 76 ARG HA H 76 3.320 3.320 4.057 -0.737 19045 3404 1 5 . 1 1 76 76 ARG CA C 76 59.540 59.540 59.949 -0.409 19045 3405 1 5 . 1 1 76 76 ARG CB C 76 30.130 30.130 30.168 -0.038 19045 3406 1 5 . 1 1 76 76 ARG H H 76 7.512 7.512 7.489 0.023 19045 3407 1 5 . 1 1 77 77 GLN N N 77 118.008 118.008 118.813 -0.805 19045 3408 1 5 . 1 1 77 77 GLN HA H 77 3.951 3.951 4.156 -0.205 19045 3409 1 5 . 1 1 77 77 GLN CA C 77 58.337 58.337 58.477 -0.140 19045 3410 1 5 . 1 1 77 77 GLN CB C 77 27.512 27.512 28.077 -0.565 19045 3411 1 5 . 1 1 77 77 GLN H H 77 7.852 7.852 7.739 0.113 19045 3412 1 5 . 1 1 78 78 LEU N N 78 116.018 116.018 119.843 -3.825 19045 3413 1 5 . 1 1 78 78 LEU HA H 78 4.078 4.078 3.941 0.137 19045 3414 1 5 . 1 1 78 78 LEU CA C 78 57.391 57.391 58.033 -0.642 19045 3415 1 5 . 1 1 78 78 LEU CB C 78 40.999 40.999 41.438 -0.439 19045 3416 1 5 . 1 1 78 78 LEU H H 78 8.412 8.412 8.553 -0.141 19045 3417 1 5 . 1 1 79 79 ALA N N 79 120.914 120.914 120.962 -0.048 19045 3418 1 5 . 1 1 79 79 ALA HA H 79 3.896 3.896 4.150 -0.254 19045 3419 1 5 . 1 1 79 79 ALA CA C 79 54.789 54.789 55.000 -0.211 19045 3420 1 5 . 1 1 79 79 ALA CB C 79 17.880 17.880 18.227 -0.347 19045 3421 1 5 . 1 1 79 79 ALA H H 79 7.789 7.789 8.350 -0.561 19045 3422 1 5 . 1 1 80 80 ILE N N 80 117.984 117.984 118.085 -0.101 19045 3423 1 5 . 1 1 80 80 ILE HA H 80 3.895 3.895 3.872 0.023 19045 3424 1 5 . 1 1 80 80 ILE CA C 80 63.576 63.576 64.630 -1.054 19045 3425 1 5 . 1 1 80 80 ILE CB C 80 38.607 38.607 38.629 -0.022 19045 3426 1 5 . 1 1 80 80 ILE H H 80 7.690 7.690 7.531 0.159 19045 3427 1 5 . 1 1 81 81 ILE HA H 81 3.984 3.984 4.034 -0.050 19045 3428 1 5 . 1 1 81 81 ILE CA C 81 63.608 63.608 63.673 -0.065 19045 3429 1 5 . 1 1 81 81 ILE CB C 81 37.587 37.587 37.364 0.224 19045 3430 1 5 . 1 1 81 81 ILE H H 81 7.910 7.910 8.205 -0.295 19045 3431 1 5 . 1 1 82 82 GLY CA C 82 45.566 45.566 45.020 0.546 19045 3432 1 5 . 1 1 82 82 GLY H H 82 7.765 7.765 8.329 -0.564 19045 3433 1 5 . 1 1 83 83 ASP N N 83 119.914 119.914 122.837 -2.923 19045 3434 1 5 . 1 1 83 83 ASP HA H 83 4.332 4.332 4.353 -0.021 19045 3435 1 5 . 1 1 83 83 ASP CA C 83 58.161 58.161 57.514 0.647 19045 3436 1 5 . 1 1 83 83 ASP CB C 83 41.771 41.771 41.002 0.769 19045 3437 1 5 . 1 1 83 83 ASP H H 83 7.400 7.400 7.722 -0.322 19045 3438 1 5 . 1 1 84 84 ASP N N 84 116.566 116.566 119.538 -2.972 19045 3439 1 5 . 1 1 84 84 ASP HA H 84 4.200 4.200 4.375 -0.175 19045 3440 1 5 . 1 1 84 84 ASP CA C 84 57.270 57.270 57.352 -0.082 19045 3441 1 5 . 1 1 84 84 ASP CB C 84 40.593 40.593 40.451 0.142 19045 3442 1 5 . 1 1 84 84 ASP H H 84 8.523 8.523 8.130 0.393 19045 3443 1 5 . 1 1 85 85 ILE N N 85 120.454 120.454 119.594 0.860 19045 3444 1 5 . 1 1 85 85 ILE HA H 85 3.753 3.753 3.799 -0.046 19045 3445 1 5 . 1 1 85 85 ILE CA C 85 63.782 63.782 64.630 -0.848 19045 3446 1 5 . 1 1 85 85 ILE CB C 85 37.546 37.546 37.255 0.291 19045 3447 1 5 . 1 1 85 85 ILE H H 85 7.707 7.707 7.982 -0.275 19045 3448 1 5 . 1 1 86 86 ASN N N 86 118.583 118.583 119.101 -0.518 19045 3449 1 5 . 1 1 86 86 ASN HA H 86 4.472 4.472 4.521 -0.049 19045 3450 1 5 . 1 1 86 86 ASN CA C 86 56.087 56.087 56.413 -0.326 19045 3451 1 5 . 1 1 86 86 ASN CB C 86 37.614 37.614 38.780 -1.166 19045 3452 1 5 . 1 1 86 86 ASN H H 86 8.440 8.440 8.270 0.170 19045 3453 1 5 . 1 1 87 87 ARG N N 87 117.819 117.819 118.572 -0.753 19045 3454 1 5 . 1 1 87 87 ARG HA H 87 4.043 4.043 4.048 -0.005 19045 3455 1 5 . 1 1 87 87 ARG CA C 87 59.035 59.035 58.573 0.462 19045 3456 1 5 . 1 1 87 87 ARG CB C 87 29.845 29.845 29.370 0.475 19045 3457 1 5 . 1 1 87 87 ARG H H 87 8.214 8.214 7.946 0.268 19045 3458 1 5 . 1 1 88 88 ARG N N 88 117.971 117.971 120.500 -2.529 19045 3459 1 5 . 1 1 88 88 ARG HA H 88 3.965 3.965 3.945 0.020 19045 3460 1 5 . 1 1 88 88 ARG CA C 88 58.161 58.161 59.131 -0.970 19045 3461 1 5 . 1 1 88 88 ARG CB C 88 30.376 30.376 30.512 -0.136 19045 3462 1 5 . 1 1 88 88 ARG H H 88 7.438 7.438 8.062 -0.624 19045 3463 1 5 . 1 1 89 89 TYR N N 89 114.591 114.591 115.001 -0.410 19045 3464 1 5 . 1 1 89 89 TYR HA H 89 4.753 4.753 4.724 0.029 19045 3465 1 5 . 1 1 89 89 TYR CA C 89 59.481 59.481 56.849 2.632 19045 3466 1 5 . 1 1 89 89 TYR CB C 89 39.610 39.610 37.460 2.150 19045 3467 1 5 . 1 1 89 89 TYR H H 89 7.635 7.635 7.918 -0.282 19045 3468 1 5 . 1 1 90 90 ASP HA H 90 4.820 4.820 4.614 0.206 19045 3469 1 5 . 1 1 90 90 ASP CA C 90 58.200 58.200 57.291 0.909 19045 3470 1 5 . 1 1 90 90 ASP CB C 90 41.407 41.407 40.559 0.848 19045 3471 1 5 . 1 1 90 90 ASP H H 90 8.282 8.282 7.618 0.664 19045 3472 1 5 . 1 1 91 91 SER N N 91 115.266 115.266 116.178 -0.912 19045 3473 1 5 . 1 1 91 91 SER HA H 91 4.170 4.170 4.381 -0.211 19045 3474 1 5 . 1 1 91 91 SER CA C 91 61.780 61.780 61.610 0.170 19045 3475 1 5 . 1 1 91 91 SER CB C 91 61.891 61.891 63.323 -1.432 19045 3476 1 5 . 1 1 91 91 SER H H 91 8.717 8.717 8.455 0.262 19045 3477 1 5 . 1 1 92 92 GLU N N 92 122.093 122.093 121.996 0.097 19045 3478 1 5 . 1 1 92 92 GLU HA H 92 4.056 4.056 4.125 -0.069 19045 3479 1 5 . 1 1 92 92 GLU CA C 92 58.928 58.928 59.438 -0.510 19045 3480 1 5 . 1 1 92 92 GLU CB C 92 29.796 29.796 29.360 0.436 19045 3481 1 5 . 1 1 92 92 GLU H H 92 8.025 8.025 8.839 -0.814 19045 3482 1 5 . 1 1 93 93 PHE HA H 93 4.171 4.171 4.495 -0.324 19045 3483 1 5 . 1 1 93 93 PHE CA C 93 60.704 60.704 59.665 1.039 19045 3484 1 5 . 1 1 93 93 PHE CB C 93 38.780 38.780 40.173 -1.393 19045 3485 1 5 . 1 1 93 93 PHE H H 93 7.801 7.801 7.678 0.123 19045 3486 1 5 . 1 1 94 94 GLN N N 94 118.578 118.578 120.504 -1.926 19045 3487 1 5 . 1 1 94 94 GLN HA H 94 3.847 3.847 3.880 -0.033 19045 3488 1 5 . 1 1 94 94 GLN CA C 94 59.981 59.981 59.544 0.437 19045 3489 1 5 . 1 1 94 94 GLN CB C 94 28.415 28.415 28.718 -0.303 19045 3490 1 5 . 1 1 94 94 GLN H H 94 8.609 8.609 7.995 0.614 19045 3491 1 5 . 1 1 95 95 THR N N 95 116.128 116.128 116.445 -0.317 19045 3492 1 5 . 1 1 95 95 THR HA H 95 3.811 3.811 3.915 -0.104 19045 3493 1 5 . 1 1 95 95 THR CA C 95 66.391 66.391 66.674 -0.283 19045 3494 1 5 . 1 1 95 95 THR CB C 95 68.361 68.361 68.603 -0.242 19045 3495 1 5 . 1 1 95 95 THR H H 95 7.826 7.826 8.414 -0.588 19045 3496 1 5 . 1 1 96 96 MET N N 96 120.474 120.474 118.201 2.273 19045 3497 1 5 . 1 1 96 96 MET HA H 96 3.933 3.933 3.596 0.337 19045 3498 1 5 . 1 1 96 96 MET CA C 96 59.949 59.949 57.905 2.044 19045 3499 1 5 . 1 1 96 96 MET CB C 96 33.087 33.087 31.621 1.466 19045 3500 1 5 . 1 1 96 96 MET H H 96 7.728 7.728 7.312 0.416 19045 3501 1 5 . 1 1 97 97 LEU N N 97 118.904 118.904 121.029 -2.125 19045 3502 1 5 . 1 1 97 97 LEU HA H 97 3.604 3.604 3.615 -0.011 19045 3503 1 5 . 1 1 97 97 LEU CA C 97 57.771 57.771 57.428 0.343 19045 3504 1 5 . 1 1 97 97 LEU CB C 97 40.836 40.836 40.933 -0.097 19045 3505 1 5 . 1 1 97 97 LEU H H 97 8.112 8.112 7.589 0.523 19045 3506 1 5 . 1 1 98 98 GLN N N 98 116.798 116.798 117.172 -0.374 19045 3507 1 5 . 1 1 98 98 GLN HA H 98 4.003 4.003 4.224 -0.221 19045 3508 1 5 . 1 1 98 98 GLN CA C 98 58.337 58.337 58.137 0.200 19045 3509 1 5 . 1 1 98 98 GLN CB C 98 27.659 27.659 28.432 -0.773 19045 3510 1 5 . 1 1 98 98 GLN H H 98 7.754 7.754 7.924 -0.170 19045 3511 1 5 . 1 1 99 99 HIS N N 99 115.943 115.943 117.127 -1.184 19045 3512 1 5 . 1 1 99 99 HIS HA H 99 4.442 4.442 4.288 0.154 19045 3513 1 5 . 1 1 99 99 HIS CA C 99 57.025 57.025 56.631 0.394 19045 3514 1 5 . 1 1 99 99 HIS CB C 99 28.848 28.848 30.416 -1.569 19045 3515 1 5 . 1 1 99 99 HIS H H 99 7.504 7.504 7.675 -0.171 19045 3516 1 5 . 1 1 100 100 LEU N N 100 121.347 121.347 120.390 0.957 19045 3517 1 5 . 1 1 100 100 LEU HA H 100 3.803 3.803 3.960 -0.157 19045 3518 1 5 . 1 1 100 100 LEU CA C 100 56.801 56.801 56.835 -0.034 19045 3519 1 5 . 1 1 100 100 LEU CB C 100 42.563 42.563 42.596 -0.033 19045 3520 1 5 . 1 1 100 100 LEU H H 100 8.013 8.013 7.627 0.386 19045 3521 1 5 . 1 1 101 101 GLN N N 101 110.029 110.029 114.705 -4.676 19045 3522 1 5 . 1 1 101 101 GLN HA H 101 4.003 4.003 4.122 -0.119 19045 3523 1 5 . 1 1 101 101 GLN CA C 101 55.685 55.685 55.525 0.160 19045 3524 1 5 . 1 1 101 101 GLN CB C 101 27.301 27.301 26.551 0.750 19045 3525 1 5 . 1 1 101 101 GLN H H 101 7.763 7.763 7.813 -0.050 19045 3526 1 5 . 1 1 102 102 PRO HA H 102 4.926 4.926 4.597 0.329 19045 3527 1 5 . 1 1 102 102 PRO CA C 102 62.372 62.372 62.896 -0.524 19045 3528 1 5 . 1 1 102 102 PRO CB C 102 31.963 31.963 32.841 -0.878 19045 3529 1 5 . 1 1 103 103 THR N N 103 114.119 114.119 107.393 6.726 19045 3530 1 5 . 1 1 103 103 THR HA H 103 4.420 4.420 4.535 -0.115 19045 3531 1 5 . 1 1 103 103 THR CA C 103 58.716 58.716 59.130 -0.414 19045 3532 1 5 . 1 1 103 103 THR CB C 103 72.929 72.929 71.987 0.942 19045 3533 1 5 . 1 1 103 103 THR H H 103 9.386 9.386 8.135 1.251 19045 3534 1 5 . 1 1 104 104 ALA N N 104 120.374 120.374 121.890 -1.516 19045 3535 1 5 . 1 1 104 104 ALA HA H 104 3.737 3.737 4.117 -0.380 19045 3536 1 5 . 1 1 104 104 ALA CA C 104 54.782 54.782 53.991 0.791 19045 3537 1 5 . 1 1 104 104 ALA CB C 104 18.050 18.050 18.304 -0.254 19045 3538 1 5 . 1 1 104 104 ALA H H 104 8.723 8.723 8.399 0.324 19045 3539 1 5 . 1 1 105 105 GLU N N 105 113.834 113.834 115.373 -1.539 19045 3540 1 5 . 1 1 105 105 GLU HA H 105 4.122 4.122 4.369 -0.247 19045 3541 1 5 . 1 1 105 105 GLU CA C 105 58.707 58.707 58.318 0.389 19045 3542 1 5 . 1 1 105 105 GLU CB C 105 29.445 29.445 29.613 -0.168 19045 3543 1 5 . 1 1 105 105 GLU H H 105 7.969 7.969 8.296 -0.327 19045 3544 1 5 . 1 1 106 106 ASN N N 106 114.135 114.135 117.391 -3.256 19045 3545 1 5 . 1 1 106 106 ASN HA H 106 4.781 4.781 4.271 0.510 19045 3546 1 5 . 1 1 106 106 ASN CA C 106 52.222 52.222 52.074 0.148 19045 3547 1 5 . 1 1 106 106 ASN CB C 106 38.983 38.983 38.248 0.735 19045 3548 1 5 . 1 1 106 106 ASN H H 106 7.151 7.151 7.791 -0.640 19045 3549 1 5 . 1 1 107 107 ALA N N 107 121.280 121.280 123.584 -2.304 19045 3550 1 5 . 1 1 107 107 ALA HA H 107 3.858 3.858 3.955 -0.097 19045 3551 1 5 . 1 1 107 107 ALA CA C 107 56.988 56.988 55.692 1.296 19045 3552 1 5 . 1 1 107 107 ALA CB C 107 18.278 18.278 18.634 -0.356 19045 3553 1 5 . 1 1 107 107 ALA H H 107 7.940 7.940 7.343 0.597 19045 3554 1 5 . 1 1 108 108 TYR N N 108 117.339 117.339 115.835 1.504 19045 3555 1 5 . 1 1 108 108 TYR HA H 108 3.048 3.048 3.975 -0.927 19045 3556 1 5 . 1 1 108 108 TYR CA C 108 60.578 60.578 59.867 0.711 19045 3557 1 5 . 1 1 108 108 TYR CB C 108 36.804 36.804 37.045 -0.241 19045 3558 1 5 . 1 1 108 108 TYR H H 108 8.783 8.783 7.825 0.958 19045 3559 1 5 . 1 1 109 109 GLU N N 109 123.316 123.316 120.865 2.451 19045 3560 1 5 . 1 1 109 109 GLU HA H 109 3.681 3.681 3.721 -0.040 19045 3561 1 5 . 1 1 109 109 GLU CA C 109 59.152 59.152 58.732 0.420 19045 3562 1 5 . 1 1 109 109 GLU CB C 109 28.782 28.782 28.756 0.026 19045 3563 1 5 . 1 1 109 109 GLU H H 109 8.084 8.084 7.405 0.679 19045 3564 1 5 . 1 1 110 110 TYR N N 110 117.254 117.254 116.568 0.686 19045 3565 1 5 . 1 1 110 110 TYR HA H 110 4.339 4.339 4.425 -0.086 19045 3566 1 5 . 1 1 110 110 TYR CA C 110 58.527 58.527 58.164 0.363 19045 3567 1 5 . 1 1 110 110 TYR CB C 110 36.323 36.323 38.340 -2.017 19045 3568 1 5 . 1 1 110 110 TYR H H 110 8.282 8.282 7.450 0.832 19045 3569 1 5 . 1 1 111 111 PHE N N 111 119.028 119.028 121.263 -2.235 19045 3570 1 5 . 1 1 111 111 PHE HA H 111 3.889 3.889 4.188 -0.299 19045 3571 1 5 . 1 1 111 111 PHE CA C 111 62.350 62.350 61.279 1.071 19045 3572 1 5 . 1 1 111 111 PHE CB C 111 39.369 39.369 39.048 0.321 19045 3573 1 5 . 1 1 111 111 PHE H H 111 9.197 9.197 8.872 0.325 19045 3574 1 5 . 1 1 112 112 THR N N 112 113.669 113.669 112.116 1.553 19045 3575 1 5 . 1 1 112 112 THR HA H 112 3.411 3.411 3.338 0.073 19045 3576 1 5 . 1 1 112 112 THR CA C 112 67.185 67.185 66.703 0.482 19045 3577 1 5 . 1 1 112 112 THR CB C 112 68.294 68.294 68.374 -0.080 19045 3578 1 5 . 1 1 112 112 THR H H 112 8.315 8.315 8.412 -0.097 19045 3579 1 5 . 1 1 113 113 LYS N N 113 124.090 124.090 121.955 2.135 19045 3580 1 5 . 1 1 113 113 LYS HA H 113 3.854 3.854 4.029 -0.175 19045 3581 1 5 . 1 1 113 113 LYS CA C 113 60.416 60.416 59.339 1.077 19045 3582 1 5 . 1 1 113 113 LYS CB C 113 33.219 33.219 32.237 0.982 19045 3583 1 5 . 1 1 113 113 LYS H H 113 8.335 8.335 7.251 1.084 19045 3584 1 5 . 1 1 114 114 ILE N N 114 120.457 120.457 119.654 0.803 19045 3585 1 5 . 1 1 114 114 ILE HA H 114 3.145 3.145 3.658 -0.513 19045 3586 1 5 . 1 1 114 114 ILE CA C 114 65.550 65.550 63.260 2.290 19045 3587 1 5 . 1 1 114 114 ILE CB C 114 37.402 37.402 36.259 1.143 19045 3588 1 5 . 1 1 114 114 ILE H H 114 8.042 8.042 7.938 0.104 19045 3589 1 5 . 1 1 115 115 ALA N N 115 121.066 121.066 121.884 -0.818 19045 3590 1 5 . 1 1 115 115 ALA HA H 115 3.219 3.219 3.987 -0.768 19045 3591 1 5 . 1 1 115 115 ALA CA C 115 54.940 54.940 55.589 -0.649 19045 3592 1 5 . 1 1 115 115 ALA CB C 115 16.345 16.345 17.692 -1.347 19045 3593 1 5 . 1 1 115 115 ALA H H 115 8.208 8.208 8.060 0.147 19045 3594 1 5 . 1 1 116 116 THR N N 116 112.803 112.803 114.985 -2.182 19045 3595 1 5 . 1 1 116 116 THR HA H 116 3.808 3.808 4.110 -0.302 19045 3596 1 5 . 1 1 116 116 THR CA C 116 67.557 67.557 66.129 1.428 19045 3597 1 5 . 1 1 116 116 THR CB C 116 68.431 68.431 68.459 -0.028 19045 3598 1 5 . 1 1 116 116 THR H H 116 7.893 7.893 7.941 -0.048 19045 3599 1 5 . 1 1 117 117 SER N N 117 115.935 115.935 114.862 1.073 19045 3600 1 5 . 1 1 117 117 SER HA H 117 4.070 4.070 4.414 -0.344 19045 3601 1 5 . 1 1 117 117 SER CA C 117 61.879 61.879 61.573 0.306 19045 3602 1 5 . 1 1 117 117 SER CB C 117 62.907 62.907 63.385 -0.478 19045 3603 1 5 . 1 1 117 117 SER H H 117 7.139 7.139 7.923 -0.784 19045 3604 1 5 . 1 1 118 118 LEU N N 118 123.462 123.462 122.166 1.296 19045 3605 1 5 . 1 1 118 118 LEU HA H 118 3.596 3.596 3.918 -0.322 19045 3606 1 5 . 1 1 118 118 LEU CA C 118 58.014 58.014 56.989 1.024 19045 3607 1 5 . 1 1 118 118 LEU CB C 118 41.687 41.687 41.921 -0.234 19045 3608 1 5 . 1 1 118 118 LEU H H 118 7.844 7.844 7.598 0.246 19045 3609 1 5 . 1 1 119 119 PHE N N 119 110.270 110.270 114.341 -4.071 19045 3610 1 5 . 1 1 119 119 PHE HA H 119 4.721 4.721 4.515 0.206 19045 3611 1 5 . 1 1 119 119 PHE CA C 119 58.698 58.698 57.721 0.977 19045 3612 1 5 . 1 1 119 119 PHE CB C 119 38.838 38.838 37.912 0.926 19045 3613 1 5 . 1 1 119 119 PHE H H 119 6.878 6.878 8.298 -1.420 19045 3614 1 5 . 1 1 120 120 GLU N N 120 123.135 123.135 119.372 3.763 19045 3615 1 5 . 1 1 120 120 GLU HA H 120 4.016 4.016 4.072 -0.056 19045 3616 1 5 . 1 1 120 120 GLU CA C 120 59.532 59.532 58.351 1.181 19045 3617 1 5 . 1 1 120 120 GLU CB C 120 29.337 29.337 29.704 -0.367 19045 3618 1 5 . 1 1 120 120 GLU H H 120 7.551 7.551 7.535 0.016 19045 3619 1 5 . 1 1 121 121 SER N N 121 107.983 107.983 114.229 -6.246 19045 3620 1 5 . 1 1 121 121 SER HA H 121 4.522 4.522 4.396 0.126 19045 3621 1 5 . 1 1 121 121 SER CA C 121 57.342 57.342 59.586 -2.244 19045 3622 1 5 . 1 1 121 121 SER CB C 121 63.353 63.353 64.052 -0.699 19045 3623 1 5 . 1 1 121 121 SER H H 121 7.712 7.712 8.107 -0.395 19045 3624 1 5 . 1 1 122 122 GLY N N 122 110.748 110.748 107.102 3.646 19045 3625 1 5 . 1 1 122 122 GLY CA C 122 44.419 44.419 44.751 -0.332 19045 3626 1 5 . 1 1 122 122 GLY H H 122 7.317 7.317 7.762 -0.445 19045 3627 1 5 . 1 1 123 123 ILE N N 123 117.061 117.061 118.715 -1.654 19045 3628 1 5 . 1 1 123 123 ILE HA H 123 3.724 3.724 4.153 -0.429 19045 3629 1 5 . 1 1 123 123 ILE CA C 123 61.383 61.383 60.458 0.925 19045 3630 1 5 . 1 1 123 123 ILE CB C 123 40.588 40.588 38.654 1.934 19045 3631 1 5 . 1 1 123 123 ILE H H 123 7.963 7.963 8.219 -0.256 19045 3632 1 5 . 1 1 124 124 ASN N N 124 117.915 117.915 121.234 -3.319 19045 3633 1 5 . 1 1 124 124 ASN HA H 124 4.204 4.204 4.732 -0.528 19045 3634 1 5 . 1 1 124 124 ASN CA C 124 51.886 51.886 52.532 -0.646 19045 3635 1 5 . 1 1 124 124 ASN CB C 124 39.033 39.033 40.392 -1.359 19045 3636 1 5 . 1 1 124 124 ASN H H 124 6.434 6.434 7.594 -1.160 19045 3637 1 5 . 1 1 125 125 TRP N N 125 119.673 119.673 123.343 -3.670 19045 3638 1 5 . 1 1 125 125 TRP HA H 125 4.470 4.470 4.531 -0.061 19045 3639 1 5 . 1 1 125 125 TRP CA C 125 61.257 61.257 60.856 0.401 19045 3640 1 5 . 1 1 125 125 TRP CB C 125 30.287 30.287 29.899 0.388 19045 3641 1 5 . 1 1 125 125 TRP H H 125 8.824 8.824 9.060 -0.236 19045 3642 1 5 . 1 1 126 126 GLY N N 126 107.516 107.516 105.674 1.842 19045 3643 1 5 . 1 1 126 126 GLY CA C 126 48.294 48.294 47.444 0.850 19045 3644 1 5 . 1 1 126 126 GLY H H 126 9.118 9.118 8.348 0.770 19045 3645 1 5 . 1 1 127 127 ARG N N 127 119.610 119.610 121.986 -2.376 19045 3646 1 5 . 1 1 127 127 ARG HA H 127 3.742 3.742 3.989 -0.247 19045 3647 1 5 . 1 1 127 127 ARG CA C 127 59.551 59.551 59.117 0.433 19045 3648 1 5 . 1 1 127 127 ARG CB C 127 31.163 31.163 29.843 1.320 19045 3649 1 5 . 1 1 127 127 ARG H H 127 8.616 8.616 7.346 1.270 19045 3650 1 5 . 1 1 128 128 VAL N N 128 120.289 120.289 119.613 0.676 19045 3651 1 5 . 1 1 128 128 VAL HA H 128 3.662 3.662 3.945 -0.283 19045 3652 1 5 . 1 1 128 128 VAL CA C 128 68.387 68.387 66.807 1.580 19045 3653 1 5 . 1 1 128 128 VAL CB C 128 31.127 31.127 31.358 -0.231 19045 3654 1 5 . 1 1 128 128 VAL H H 128 7.762 7.762 8.186 -0.424 19045 3655 1 5 . 1 1 129 129 VAL N N 129 119.577 119.577 119.696 -0.119 19045 3656 1 5 . 1 1 129 129 VAL HA H 129 3.449 3.449 3.670 -0.221 19045 3657 1 5 . 1 1 129 129 VAL CA C 129 67.772 67.772 66.916 0.856 19045 3658 1 5 . 1 1 129 129 VAL CB C 129 30.918 30.918 31.087 -0.169 19045 3659 1 5 . 1 1 129 129 VAL H H 129 8.433 8.433 7.934 0.499 19045 3660 1 5 . 1 1 130 130 ALA N N 130 123.330 123.330 123.029 0.301 19045 3661 1 5 . 1 1 130 130 ALA HA H 130 4.069 4.069 4.054 0.015 19045 3662 1 5 . 1 1 130 130 ALA CA C 130 54.978 54.978 55.285 -0.307 19045 3663 1 5 . 1 1 130 130 ALA CB C 130 17.446 17.446 18.422 -0.976 19045 3664 1 5 . 1 1 130 130 ALA H H 130 8.766 8.766 7.967 0.799 19045 3665 1 5 . 1 1 131 131 LEU N N 131 120.040 120.040 119.763 0.277 19045 3666 1 5 . 1 1 131 131 LEU HA H 131 3.961 3.961 4.526 -0.565 19045 3667 1 5 . 1 1 131 131 LEU CA C 131 58.353 58.353 58.806 -0.453 19045 3668 1 5 . 1 1 131 131 LEU CB C 131 40.750 40.750 42.245 -1.496 19045 3669 1 5 . 1 1 131 131 LEU H H 131 8.178 8.178 8.493 -0.315 19045 3670 1 5 . 1 1 132 132 LEU N N 132 119.150 119.150 117.147 2.003 19045 3671 1 5 . 1 1 132 132 LEU HA H 132 3.952 3.952 4.432 -0.480 19045 3672 1 5 . 1 1 132 132 LEU CA C 132 58.620 58.620 57.672 0.948 19045 3673 1 5 . 1 1 132 132 LEU CB C 132 38.835 38.835 41.014 -2.179 19045 3674 1 5 . 1 1 132 132 LEU H H 132 7.927 7.927 7.555 0.372 19045 3675 1 5 . 1 1 133 133 GLY N N 133 107.066 107.066 108.273 -1.207 19045 3676 1 5 . 1 1 133 133 GLY CA C 133 48.339 48.339 47.669 0.671 19045 3677 1 5 . 1 1 133 133 GLY H H 133 8.752 8.752 8.347 0.405 19045 3678 1 5 . 1 1 134 134 PHE N N 134 123.521 123.521 121.452 2.069 19045 3679 1 5 . 1 1 134 134 PHE HA H 134 4.601 4.601 4.562 0.039 19045 3680 1 5 . 1 1 134 134 PHE CA C 134 59.884 59.884 58.441 1.442 19045 3681 1 5 . 1 1 134 134 PHE CB C 134 38.622 38.622 38.302 0.320 19045 3682 1 5 . 1 1 134 134 PHE H H 134 8.606 8.606 8.518 0.088 19045 3683 1 5 . 1 1 135 135 GLY N N 135 106.412 106.412 109.454 -3.042 19045 3684 1 5 . 1 1 135 135 GLY CA C 135 47.731 47.731 47.207 0.524 19045 3685 1 5 . 1 1 135 135 GLY H H 135 8.715 8.715 7.875 0.840 19045 3686 1 5 . 1 1 136 136 TYR N N 136 121.461 121.461 123.128 -1.667 19045 3687 1 5 . 1 1 136 136 TYR HA H 136 4.116 4.116 4.387 -0.271 19045 3688 1 5 . 1 1 136 136 TYR CA C 136 61.564 61.564 61.947 -0.383 19045 3689 1 5 . 1 1 136 136 TYR CB C 136 38.469 38.469 38.747 -0.278 19045 3690 1 5 . 1 1 136 136 TYR H H 136 8.809 8.809 8.121 0.688 19045 3691 1 5 . 1 1 137 137 ARG N N 137 117.518 117.518 119.896 -2.378 19045 3692 1 5 . 1 1 137 137 ARG HA H 137 3.647 3.647 4.173 -0.526 19045 3693 1 5 . 1 1 137 137 ARG CA C 137 58.904 58.904 60.043 -1.139 19045 3694 1 5 . 1 1 137 137 ARG CB C 137 29.189 29.189 30.350 -1.161 19045 3695 1 5 . 1 1 137 137 ARG H H 137 8.646 8.646 7.833 0.813 19045 3696 1 5 . 1 1 138 138 LEU N N 138 121.658 121.658 119.807 1.851 19045 3697 1 5 . 1 1 138 138 LEU HA H 138 3.905 3.905 4.188 -0.283 19045 3698 1 5 . 1 1 138 138 LEU CA C 138 58.454 58.454 58.547 -0.093 19045 3699 1 5 . 1 1 138 138 LEU CB C 138 41.801 41.801 42.207 -0.406 19045 3700 1 5 . 1 1 138 138 LEU H H 138 9.065 9.065 8.585 0.480 19045 3701 1 5 . 1 1 139 139 ALA N N 139 120.012 120.012 121.685 -1.673 19045 3702 1 5 . 1 1 139 139 ALA HA H 139 4.004 4.004 4.144 -0.140 19045 3703 1 5 . 1 1 139 139 ALA CA C 139 55.174 55.174 55.119 0.055 19045 3704 1 5 . 1 1 139 139 ALA CB C 139 17.943 17.943 18.326 -0.383 19045 3705 1 5 . 1 1 139 139 ALA H H 139 8.237 8.237 8.020 0.217 19045 3706 1 5 . 1 1 140 140 LEU N N 140 119.522 119.522 119.695 -0.173 19045 3707 1 5 . 1 1 140 140 LEU HA H 140 4.000 4.000 4.017 -0.017 19045 3708 1 5 . 1 1 140 140 LEU CA C 140 57.805 57.805 57.983 -0.178 19045 3709 1 5 . 1 1 140 140 LEU CB C 140 42.324 42.324 41.927 0.397 19045 3710 1 5 . 1 1 140 140 LEU H H 140 8.191 8.191 8.409 -0.218 19045 3711 1 5 . 1 1 141 141 HIS N N 141 117.834 117.834 118.220 -0.386 19045 3712 1 5 . 1 1 141 141 HIS HA H 141 4.183 4.183 4.279 -0.096 19045 3713 1 5 . 1 1 141 141 HIS CA C 141 60.960 60.960 60.546 0.414 19045 3714 1 5 . 1 1 141 141 HIS CB C 141 31.708 31.708 30.503 1.205 19045 3715 1 5 . 1 1 141 141 HIS H H 141 8.253 8.253 8.108 0.145 19045 3716 1 5 . 1 1 142 142 VAL N N 142 113.700 113.700 118.334 -4.634 19045 3717 1 5 . 1 1 142 142 VAL HA H 142 3.887 3.887 3.833 0.054 19045 3718 1 5 . 1 1 142 142 VAL CA C 142 65.948 65.948 64.984 0.964 19045 3719 1 5 . 1 1 142 142 VAL CB C 142 30.264 30.264 32.016 -1.752 19045 3720 1 5 . 1 1 142 142 VAL H H 142 8.455 8.455 7.630 0.825 19045 3721 1 5 . 1 1 143 143 TYR N N 143 123.307 123.307 120.763 2.544 19045 3722 1 5 . 1 1 143 143 TYR HA H 143 4.320 4.320 4.137 0.183 19045 3723 1 5 . 1 1 143 143 TYR CA C 143 61.934 61.934 60.858 1.076 19045 3724 1 5 . 1 1 143 143 TYR CB C 143 38.779 38.779 38.473 0.306 19045 3725 1 5 . 1 1 143 143 TYR H H 143 7.750 7.750 8.096 -0.346 19045 3726 1 5 . 1 1 144 144 GLN N N 144 118.560 118.560 118.020 0.540 19045 3727 1 5 . 1 1 144 144 GLN HA H 144 3.686 3.686 3.860 -0.174 19045 3728 1 5 . 1 1 144 144 GLN CA C 144 58.055 58.055 58.634 -0.579 19045 3729 1 5 . 1 1 144 144 GLN CB C 144 27.859 27.859 28.331 -0.472 19045 3730 1 5 . 1 1 144 144 GLN H H 144 8.486 8.486 8.216 0.270 19045 3731 1 5 . 1 1 145 145 HIS N N 145 114.312 114.312 114.372 -0.060 19045 3732 1 5 . 1 1 145 145 HIS HA H 145 4.330 4.330 4.540 -0.210 19045 3733 1 5 . 1 1 145 145 HIS CA C 145 56.178 56.178 57.161 -0.983 19045 3734 1 5 . 1 1 145 145 HIS CB C 145 27.751 27.751 31.691 -3.940 19045 3735 1 5 . 1 1 145 145 HIS H H 145 7.350 7.350 7.556 -0.206 19045 3736 1 5 . 1 1 146 146 GLY N N 146 106.537 106.537 105.861 0.676 19045 3737 1 5 . 1 1 146 146 GLY CA C 146 45.715 45.715 45.364 0.351 19045 3738 1 5 . 1 1 146 146 GLY H H 146 7.471 7.471 7.577 -0.106 19045 3739 1 5 . 1 1 147 147 LEU N N 147 123.302 123.302 120.499 2.803 19045 3740 1 5 . 1 1 147 147 LEU HA H 147 4.496 4.496 3.938 0.558 19045 3741 1 5 . 1 1 147 147 LEU CA C 147 54.259 54.259 56.967 -2.708 19045 3742 1 5 . 1 1 147 147 LEU CB C 147 41.033 41.033 41.731 -0.698 19045 3743 1 5 . 1 1 147 147 LEU H H 147 7.933 7.933 8.404 -0.471 19045 3744 1 5 . 1 1 148 148 THR HA H 148 4.523 4.523 4.446 0.077 19045 3745 1 5 . 1 1 148 148 THR CA C 148 61.027 61.027 63.387 -2.360 19045 3746 1 5 . 1 1 148 148 THR CB C 148 70.359 70.359 68.108 2.251 19045 3747 1 5 . 1 1 149 149 GLY CA C 149 47.016 47.016 44.852 2.164 19045 3748 1 5 . 1 1 149 149 GLY H H 149 8.458 8.458 8.759 -0.301 19045 3749 1 5 . 1 1 150 150 PHE N N 150 123.408 123.408 119.415 3.993 19045 3750 1 5 . 1 1 150 150 PHE HA H 150 4.555 4.555 4.748 -0.193 19045 3751 1 5 . 1 1 150 150 PHE CA C 150 57.964 57.964 56.590 1.374 19045 3752 1 5 . 1 1 150 150 PHE CB C 150 42.911 42.911 39.351 3.560 19045 3753 1 5 . 1 1 150 150 PHE H H 150 9.331 9.331 8.244 1.087 19045 3754 1 5 . 1 1 151 151 LEU N N 151 123.032 123.032 120.607 2.425 19045 3755 1 5 . 1 1 151 151 LEU HA H 151 3.859 3.859 4.060 -0.201 19045 3756 1 5 . 1 1 151 151 LEU CA C 151 58.454 58.454 58.133 0.320 19045 3757 1 5 . 1 1 151 151 LEU CB C 151 40.948 40.948 40.050 0.898 19045 3758 1 5 . 1 1 151 151 LEU H H 151 8.470 8.470 7.889 0.581 19045 3759 1 5 . 1 1 152 152 GLY N N 152 108.386 108.386 104.524 3.862 19045 3760 1 5 . 1 1 152 152 GLY CA C 152 46.676 46.676 47.180 -0.504 19045 3761 1 5 . 1 1 152 152 GLY H H 152 8.577 8.577 8.393 0.184 19045 3762 1 5 . 1 1 153 153 GLN N N 153 122.055 122.055 120.770 1.285 19045 3763 1 5 . 1 1 153 153 GLN HA H 153 3.532 3.532 3.516 0.016 19045 3764 1 5 . 1 1 153 153 GLN CA C 153 57.844 57.844 57.669 0.175 19045 3765 1 5 . 1 1 153 153 GLN CB C 153 26.442 26.442 27.073 -0.631 19045 3766 1 5 . 1 1 153 153 GLN H H 153 7.106 7.106 7.654 -0.548 19045 3767 1 5 . 1 1 154 154 VAL N N 154 116.706 116.706 119.173 -2.467 19045 3768 1 5 . 1 1 154 154 VAL HA H 154 2.428 2.428 3.641 -1.213 19045 3769 1 5 . 1 1 154 154 VAL CA C 154 66.089 66.089 66.329 -0.240 19045 3770 1 5 . 1 1 154 154 VAL CB C 154 31.463 31.463 30.629 0.834 19045 3771 1 5 . 1 1 154 154 VAL H H 154 7.033 7.033 8.376 -1.343 19045 3772 1 5 . 1 1 155 155 THR N N 155 114.165 114.165 114.624 -0.459 19045 3773 1 5 . 1 1 155 155 THR HA H 155 3.317 3.317 3.576 -0.260 19045 3774 1 5 . 1 1 155 155 THR CA C 155 67.050 67.050 65.949 1.101 19045 3775 1 5 . 1 1 155 155 THR CB C 155 68.307 68.307 68.011 0.296 19045 3776 1 5 . 1 1 155 155 THR H H 155 7.860 7.860 8.083 -0.223 19045 3777 1 5 . 1 1 156 156 ARG N N 156 119.890 119.890 121.211 -1.321 19045 3778 1 5 . 1 1 156 156 ARG HA H 156 3.769 3.769 3.962 -0.193 19045 3779 1 5 . 1 1 156 156 ARG CA C 156 58.769 58.769 58.270 0.499 19045 3780 1 5 . 1 1 156 156 ARG CB C 156 28.693 28.693 29.032 -0.339 19045 3781 1 5 . 1 1 156 156 ARG H H 156 7.019 7.019 7.801 -0.782 19045 3782 1 5 . 1 1 157 157 PHE N N 157 118.242 118.242 119.597 -1.355 19045 3783 1 5 . 1 1 157 157 PHE HA H 157 4.426 4.426 4.384 0.042 19045 3784 1 5 . 1 1 157 157 PHE CA C 157 56.928 56.928 61.434 -4.506 19045 3785 1 5 . 1 1 157 157 PHE CB C 157 35.794 35.794 38.241 -2.447 19045 3786 1 5 . 1 1 157 157 PHE H H 157 8.030 8.030 8.170 -0.140 19045 3787 1 5 . 1 1 158 158 VAL N N 158 118.961 118.961 119.349 -0.388 19045 3788 1 5 . 1 1 158 158 VAL HA H 158 3.425 3.425 4.503 -1.078 19045 3789 1 5 . 1 1 158 158 VAL CA C 158 67.288 67.288 67.903 -0.615 19045 3790 1 5 . 1 1 158 158 VAL CB C 158 31.554 31.554 31.715 -0.161 19045 3791 1 5 . 1 1 158 158 VAL H H 158 7.607 7.607 8.206 -0.599 19045 3792 1 5 . 1 1 159 159 VAL N N 159 119.773 119.773 114.978 4.795 19045 3793 1 5 . 1 1 159 159 VAL HA H 159 3.358 3.358 3.634 -0.276 19045 3794 1 5 . 1 1 159 159 VAL CA C 159 67.570 67.570 65.665 1.905 19045 3795 1 5 . 1 1 159 159 VAL CB C 159 32.355 32.355 31.134 1.221 19045 3796 1 5 . 1 1 159 159 VAL H H 159 8.039 8.039 7.949 0.090 19045 3797 1 5 . 1 1 160 160 ASP N N 160 118.382 118.382 122.700 -4.318 19045 3798 1 5 . 1 1 160 160 ASP HA H 160 4.293 4.293 4.369 -0.076 19045 3799 1 5 . 1 1 160 160 ASP CA C 160 57.567 57.567 57.446 0.121 19045 3800 1 5 . 1 1 160 160 ASP CB C 160 41.474 41.474 40.752 0.722 19045 3801 1 5 . 1 1 160 160 ASP H H 160 8.752 8.752 8.108 0.644 19045 3802 1 5 . 1 1 161 161 PHE N N 161 119.972 119.972 117.995 1.977 19045 3803 1 5 . 1 1 161 161 PHE HA H 161 4.175 4.175 4.528 -0.353 19045 3804 1 5 . 1 1 161 161 PHE CA C 161 62.688 62.688 60.184 2.504 19045 3805 1 5 . 1 1 161 161 PHE CB C 161 39.789 39.789 39.104 0.685 19045 3806 1 5 . 1 1 161 161 PHE H H 161 8.558 8.558 8.231 0.327 19045 3807 1 5 . 1 1 162 162 MET N N 162 116.261 116.261 119.974 -3.713 19045 3808 1 5 . 1 1 162 162 MET HA H 162 3.702 3.702 3.345 0.357 19045 3809 1 5 . 1 1 162 162 MET CA C 162 59.342 59.342 58.474 0.868 19045 3810 1 5 . 1 1 162 162 MET CB C 162 32.081 32.081 32.411 -0.330 19045 3811 1 5 . 1 1 162 162 MET H H 162 8.597 8.597 7.520 1.077 19045 3812 1 5 . 1 1 163 163 LEU N N 163 119.069 119.069 113.370 5.699 19045 3813 1 5 . 1 1 163 163 LEU HA H 163 3.952 3.952 4.069 -0.117 19045 3814 1 5 . 1 1 163 163 LEU CA C 163 57.856 57.856 55.437 2.420 19045 3815 1 5 . 1 1 163 163 LEU CB C 163 42.236 42.236 41.608 0.628 19045 3816 1 5 . 1 1 163 163 LEU H H 163 8.291 8.291 7.463 0.828 19045 3817 1 5 . 1 1 164 164 HIS N N 164 113.591 113.591 115.753 -2.162 19045 3818 1 5 . 1 1 164 164 HIS HA H 164 4.430 4.430 4.744 -0.314 19045 3819 1 5 . 1 1 164 164 HIS CA C 164 57.289 57.289 55.828 1.461 19045 3820 1 5 . 1 1 164 164 HIS CB C 164 28.766 28.766 29.679 -0.913 19045 3821 1 5 . 1 1 164 164 HIS H H 164 8.111 8.111 7.134 0.977 19045 3822 1 5 . 1 1 165 165 HIS N N 165 115.730 115.730 116.795 -1.065 19045 3823 1 5 . 1 1 165 165 HIS HA H 165 4.602 4.602 4.824 -0.222 19045 3824 1 5 . 1 1 165 165 HIS CA C 165 54.752 54.752 57.152 -2.400 19045 3825 1 5 . 1 1 165 165 HIS CB C 165 26.766 26.766 32.757 -5.990 19045 3826 1 5 . 1 1 165 165 HIS H H 165 7.789 7.789 8.017 -0.228 19045 3827 1 5 . 1 1 166 166 CYS N N 166 109.533 109.533 115.245 -5.712 19045 3828 1 5 . 1 1 166 166 CYS HA H 166 4.274 4.274 4.317 -0.043 19045 3829 1 5 . 1 1 166 166 CYS CA C 166 61.452 61.452 60.001 1.451 19045 3830 1 5 . 1 1 166 166 CYS CB C 166 25.215 25.215 28.878 -3.663 19045 3831 1 5 . 1 1 166 166 CYS H H 166 7.761 7.761 7.965 -0.204 19045 3832 1 5 . 1 1 167 167 ILE N N 167 119.980 119.980 122.683 -2.703 19045 3833 1 5 . 1 1 167 167 ILE HA H 167 3.563 3.563 3.378 0.185 19045 3834 1 5 . 1 1 167 167 ILE CA C 167 62.212 62.212 64.390 -2.178 19045 3835 1 5 . 1 1 167 167 ILE CB C 167 35.969 35.969 36.397 -0.428 19045 3836 1 5 . 1 1 167 167 ILE H H 167 7.574 7.574 8.333 -0.759 19045 3837 1 5 . 1 1 168 168 ALA N N 168 121.737 121.737 122.206 -0.469 19045 3838 1 5 . 1 1 168 168 ALA HA H 168 3.775 3.775 3.851 -0.076 19045 3839 1 5 . 1 1 168 168 ALA CA C 168 55.082 55.082 55.359 -0.277 19045 3840 1 5 . 1 1 168 168 ALA CB C 168 16.505 16.505 18.157 -1.652 19045 3841 1 5 . 1 1 168 168 ALA H H 168 7.935 7.935 7.476 0.459 19045 3842 1 5 . 1 1 169 169 ARG N N 169 118.369 118.369 118.498 -0.129 19045 3843 1 5 . 1 1 169 169 ARG HA H 169 3.550 3.550 3.947 -0.397 19045 3844 1 5 . 1 1 169 169 ARG CA C 169 59.581 59.581 58.254 1.327 19045 3845 1 5 . 1 1 169 169 ARG CB C 169 29.380 29.380 29.253 0.127 19045 3846 1 5 . 1 1 169 169 ARG H H 169 7.936 7.936 8.286 -0.350 19045 3847 1 5 . 1 1 170 170 TRP N N 170 121.173 121.173 122.262 -1.089 19045 3848 1 5 . 1 1 170 170 TRP HA H 170 3.763 3.763 4.162 -0.399 19045 3849 1 5 . 1 1 170 170 TRP CA C 170 62.080 62.080 61.278 0.802 19045 3850 1 5 . 1 1 170 170 TRP CB C 170 29.423 29.423 29.131 0.292 19045 3851 1 5 . 1 1 170 170 TRP H H 170 7.259 7.259 8.178 -0.919 19045 3852 1 5 . 1 1 171 171 ILE N N 171 117.994 117.994 118.605 -0.611 19045 3853 1 5 . 1 1 171 171 ILE HA H 171 2.864 2.864 2.956 -0.092 19045 3854 1 5 . 1 1 171 171 ILE CA C 171 65.347 65.347 64.801 0.546 19045 3855 1 5 . 1 1 171 171 ILE CB C 171 37.781 37.781 37.480 0.301 19045 3856 1 5 . 1 1 171 171 ILE H H 171 8.074 8.074 8.564 -0.490 19045 3857 1 5 . 1 1 172 172 ALA N N 172 123.588 123.588 120.673 2.915 19045 3858 1 5 . 1 1 172 172 ALA HA H 172 3.506 3.506 3.898 -0.392 19045 3859 1 5 . 1 1 172 172 ALA CA C 172 55.685 55.685 54.937 0.748 19045 3860 1 5 . 1 1 172 172 ALA CB C 172 17.050 17.050 18.157 -1.107 19045 3861 1 5 . 1 1 172 172 ALA H H 172 8.511 8.511 7.844 0.667 19045 3862 1 5 . 1 1 173 173 GLN N N 173 117.382 117.382 116.598 0.784 19045 3863 1 5 . 1 1 173 173 GLN HA H 173 3.854 3.854 4.002 -0.148 19045 3864 1 5 . 1 1 173 173 GLN CA C 173 57.904 57.904 57.796 0.108 19045 3865 1 5 . 1 1 173 173 GLN CB C 173 28.141 28.141 28.765 -0.623 19045 3866 1 5 . 1 1 173 173 GLN H H 173 7.898 7.898 7.585 0.313 19045 3867 1 5 . 1 1 174 174 ARG N N 174 116.800 116.800 116.681 0.119 19045 3868 1 5 . 1 1 174 174 ARG HA H 174 4.097 4.097 4.058 0.039 19045 3869 1 5 . 1 1 174 174 ARG CA C 174 55.395 55.395 55.659 -0.264 19045 3870 1 5 . 1 1 174 174 ARG CB C 174 29.652 29.652 30.094 -0.442 19045 3871 1 5 . 1 1 174 174 ARG H H 174 6.984 6.984 7.460 -0.476 19045 3872 1 5 . 1 1 175 175 GLY N N 175 104.194 104.194 105.354 -1.160 19045 3873 1 5 . 1 1 175 175 GLY CA C 175 44.340 44.340 44.518 -0.178 19045 3874 1 5 . 1 1 175 175 GLY H H 175 7.418 7.418 7.038 0.380 19045 3875 1 5 . 1 1 176 176 GLY N N 176 107.629 107.629 107.837 -0.208 19045 3876 1 5 . 1 1 176 176 GLY CA C 176 43.501 43.501 45.017 -1.516 19045 3877 1 5 . 1 1 176 176 GLY H H 176 8.072 8.072 7.664 0.408 19045 3878 1 5 . 1 1 177 177 TRP N N 177 117.887 117.887 121.540 -3.653 19045 3879 1 5 . 1 1 177 177 TRP HA H 177 4.476 4.476 4.813 -0.337 19045 3880 1 5 . 1 1 177 177 TRP CA C 177 61.083 61.083 59.375 1.708 19045 3881 1 5 . 1 1 177 177 TRP CB C 177 30.927 30.927 29.521 1.406 19045 3882 1 5 . 1 1 177 177 TRP H H 177 8.218 8.218 8.778 -0.560 19045 3883 1 5 . 1 1 178 178 VAL N N 178 112.929 112.929 119.601 -6.672 19045 3884 1 5 . 1 1 178 178 VAL HA H 178 3.688 3.688 3.799 -0.111 19045 3885 1 5 . 1 1 178 178 VAL CA C 178 64.680 64.680 64.921 -0.241 19045 3886 1 5 . 1 1 178 178 VAL CB C 178 31.057 31.057 30.622 0.435 19045 3887 1 5 . 1 1 178 178 VAL H H 178 8.284 8.284 7.758 0.526 19045 3888 1 5 . 1 1 179 179 ALA N N 179 125.101 125.101 121.517 3.584 19045 3889 1 5 . 1 1 179 179 ALA HA H 179 4.009 4.009 4.464 -0.455 19045 3890 1 5 . 1 1 179 179 ALA CA C 179 54.344 54.344 52.271 2.073 19045 3891 1 5 . 1 1 179 179 ALA CB C 179 18.555 18.555 18.930 -0.375 19045 3892 1 5 . 1 1 179 179 ALA H H 179 7.670 7.670 7.701 -0.031 19045 3893 1 5 . 1 1 180 180 ALA N N 180 119.081 119.081 121.720 -2.639 19045 3894 1 5 . 1 1 180 180 ALA HA H 180 3.293 3.293 3.674 -0.381 19045 3895 1 5 . 1 1 180 180 ALA CA C 180 52.783 52.783 53.990 -1.207 19045 3896 1 5 . 1 1 180 180 ALA CB C 180 18.113 18.113 19.719 -1.606 19045 3897 1 5 . 1 1 180 180 ALA H H 180 8.058 8.058 7.468 0.590 19045 3898 1 5 . 1 1 181 181 LEU N N 181 114.169 114.169 112.975 1.194 19045 3899 1 5 . 1 1 181 181 LEU HA H 181 3.911 3.911 4.323 -0.412 19045 3900 1 5 . 1 1 181 181 LEU CA C 181 56.128 56.128 55.065 1.063 19045 3901 1 5 . 1 1 181 181 LEU CB C 181 40.955 40.955 40.427 0.528 19045 3902 1 5 . 1 1 181 181 LEU H H 181 7.342 7.342 7.865 -0.523 19045 3903 1 5 . 1 1 182 182 ASN N N 182 115.061 115.061 116.825 -1.764 19045 3904 1 5 . 1 1 182 182 ASN HA H 182 4.743 4.743 4.756 -0.013 19045 3905 1 5 . 1 1 182 182 ASN CA C 182 52.508 52.508 52.692 -0.184 19045 3906 1 5 . 1 1 182 182 ASN CB C 182 39.091 39.091 38.719 0.372 19045 3907 1 5 . 1 1 182 182 ASN H H 182 7.289 7.289 7.302 -0.013 19045 3908 1 5 . 1 1 183 183 LEU N N 183 119.889 119.889 118.990 0.899 19045 3909 1 5 . 1 1 183 183 LEU HA H 183 4.125 4.125 4.571 -0.446 19045 3910 1 5 . 1 1 183 183 LEU CA C 183 55.201 55.201 54.256 0.945 19045 3911 1 5 . 1 1 183 183 LEU CB C 183 42.174 42.174 43.282 -1.108 19045 3912 1 5 . 1 1 183 183 LEU H H 183 7.148 7.148 7.191 -0.043 19045 3913 1 5 . 1 1 184 184 GLY N N 184 107.883 107.883 108.446 -0.563 19045 3914 1 5 . 1 1 184 184 GLY CA C 184 45.256 45.256 46.875 -1.619 19045 3915 1 5 . 1 1 184 184 GLY H H 184 8.486 8.486 8.445 0.041 19045 3916 1 5 . 1 1 185 185 ASN N N 185 118.093 118.093 123.423 -5.330 19045 3917 1 5 . 1 1 185 185 ASN HA H 185 4.755 4.755 4.705 0.050 19045 3918 1 5 . 1 1 185 185 ASN CA C 185 52.812 52.812 52.377 0.435 19045 3919 1 5 . 1 1 185 185 ASN CB C 185 39.297 39.297 38.572 0.726 19045 3920 1 5 . 1 1 185 185 ASN H H 185 8.074 8.074 8.526 -0.452 19045 3921 1 6 . 1 1 19 19 LEU N N 19 122.834 122.834 122.796 0.038 19045 3922 1 6 . 1 1 19 19 LEU HA H 19 4.523 4.523 4.838 -0.315 19045 3923 1 6 . 1 1 19 19 LEU CA C 19 52.690 52.690 53.618 -0.928 19045 3924 1 6 . 1 1 19 19 LEU CB C 19 41.808 41.808 41.222 0.586 19045 3925 1 6 . 1 1 19 19 LEU H H 19 8.080 8.080 7.798 0.281 19045 3926 1 6 . 1 1 20 20 PRO HA H 20 4.353 4.353 4.536 -0.183 19045 3927 1 6 . 1 1 20 20 PRO CA C 20 62.826 62.826 62.451 0.375 19045 3928 1 6 . 1 1 20 20 PRO CB C 20 31.969 31.969 32.309 -0.340 19045 3929 1 6 . 1 1 21 21 SER N N 21 116.268 116.268 114.645 1.623 19045 3930 1 6 . 1 1 21 21 SER HA H 21 4.249 4.249 4.068 0.181 19045 3931 1 6 . 1 1 21 21 SER CA C 21 58.338 58.338 59.311 -0.973 19045 3932 1 6 . 1 1 21 21 SER CB C 21 63.856 63.856 63.450 0.406 19045 3933 1 6 . 1 1 21 21 SER H H 21 8.246 8.246 8.453 -0.207 19045 3934 1 6 . 1 1 22 22 ALA N N 22 125.246 125.246 123.466 1.780 19045 3935 1 6 . 1 1 22 22 ALA HA H 22 4.405 4.405 4.541 -0.136 19045 3936 1 6 . 1 1 22 22 ALA CA C 22 52.086 52.086 51.736 0.350 19045 3937 1 6 . 1 1 22 22 ALA CB C 22 19.582 19.582 21.727 -2.145 19045 3938 1 6 . 1 1 22 22 ALA H H 22 8.192 8.192 8.313 -0.121 19045 3939 1 6 . 1 1 23 23 SER N N 23 114.236 114.236 117.120 -2.884 19045 3940 1 6 . 1 1 23 23 SER HA H 23 4.469 4.469 4.746 -0.277 19045 3941 1 6 . 1 1 23 23 SER CA C 23 57.386 57.386 56.613 0.773 19045 3942 1 6 . 1 1 23 23 SER CB C 23 64.582 64.582 66.030 -1.448 19045 3943 1 6 . 1 1 23 23 SER H H 23 8.081 8.081 8.460 -0.379 19045 3944 1 6 . 1 1 24 24 GLU N N 24 124.005 124.005 123.478 0.527 19045 3945 1 6 . 1 1 24 24 GLU HA H 24 3.534 3.534 3.882 -0.348 19045 3946 1 6 . 1 1 24 24 GLU CA C 24 59.772 59.772 60.668 -0.896 19045 3947 1 6 . 1 1 24 24 GLU CB C 24 29.798 29.798 29.407 0.391 19045 3948 1 6 . 1 1 24 24 GLU H H 24 8.702 8.702 9.032 -0.330 19045 3949 1 6 . 1 1 25 25 GLU N N 25 118.390 118.390 116.825 1.565 19045 3950 1 6 . 1 1 25 25 GLU HA H 25 3.796 3.796 3.926 -0.130 19045 3951 1 6 . 1 1 25 25 GLU CA C 25 59.939 59.939 59.308 0.631 19045 3952 1 6 . 1 1 25 25 GLU CB C 25 29.217 29.217 28.465 0.751 19045 3953 1 6 . 1 1 25 25 GLU H H 25 8.559 8.559 8.842 -0.283 19045 3954 1 6 . 1 1 26 26 GLN N N 26 120.776 120.776 119.569 1.207 19045 3955 1 6 . 1 1 26 26 GLN HA H 26 3.916 3.916 4.396 -0.480 19045 3956 1 6 . 1 1 26 26 GLN CA C 26 58.343 58.343 58.109 0.234 19045 3957 1 6 . 1 1 26 26 GLN CB C 26 28.119 28.119 28.211 -0.092 19045 3958 1 6 . 1 1 26 26 GLN H H 26 7.764 7.764 7.591 0.173 19045 3959 1 6 . 1 1 27 27 VAL N N 27 118.723 118.723 121.108 -2.385 19045 3960 1 6 . 1 1 27 27 VAL HA H 27 3.933 3.933 3.858 0.075 19045 3961 1 6 . 1 1 27 27 VAL CA C 27 66.285 66.285 65.903 0.382 19045 3962 1 6 . 1 1 27 27 VAL CB C 27 31.596 31.596 30.838 0.758 19045 3963 1 6 . 1 1 27 27 VAL H H 27 8.062 8.062 8.292 -0.230 19045 3964 1 6 . 1 1 28 28 ALA N N 28 122.902 122.902 122.430 0.472 19045 3965 1 6 . 1 1 28 28 ALA HA H 28 4.026 4.026 4.006 0.020 19045 3966 1 6 . 1 1 28 28 ALA CA C 28 56.178 56.178 55.444 0.734 19045 3967 1 6 . 1 1 28 28 ALA CB C 28 18.463 18.463 18.396 0.067 19045 3968 1 6 . 1 1 28 28 ALA H H 28 8.412 8.412 8.155 0.257 19045 3969 1 6 . 1 1 29 29 GLN N N 29 117.996 117.996 117.479 0.517 19045 3970 1 6 . 1 1 29 29 GLN HA H 29 4.084 4.084 4.238 -0.154 19045 3971 1 6 . 1 1 29 29 GLN CA C 29 59.063 59.063 58.159 0.904 19045 3972 1 6 . 1 1 29 29 GLN CB C 29 28.452 28.452 28.151 0.301 19045 3973 1 6 . 1 1 29 29 GLN H H 29 7.900 7.900 7.772 0.128 19045 3974 1 6 . 1 1 30 30 ASP N N 30 121.907 121.907 120.111 1.796 19045 3975 1 6 . 1 1 30 30 ASP HA H 30 4.521 4.521 4.343 0.178 19045 3976 1 6 . 1 1 30 30 ASP CA C 30 57.038 57.038 57.026 0.012 19045 3977 1 6 . 1 1 30 30 ASP CB C 30 41.939 41.939 40.159 1.780 19045 3978 1 6 . 1 1 30 30 ASP H H 30 8.888 8.888 8.231 0.657 19045 3979 1 6 . 1 1 31 31 THR N N 31 114.861 114.861 116.666 -1.805 19045 3980 1 6 . 1 1 31 31 THR HA H 31 3.493 3.493 3.321 0.172 19045 3981 1 6 . 1 1 31 31 THR CA C 31 66.946 66.946 67.027 -0.081 19045 3982 1 6 . 1 1 31 31 THR CB C 31 68.523 68.523 68.887 -0.364 19045 3983 1 6 . 1 1 31 31 THR H H 31 8.069 8.069 7.979 0.090 19045 3984 1 6 . 1 1 32 32 GLU N N 32 120.848 120.848 120.785 0.063 19045 3985 1 6 . 1 1 32 32 GLU HA H 32 3.597 3.597 3.892 -0.295 19045 3986 1 6 . 1 1 32 32 GLU CA C 32 60.899 60.899 59.309 1.590 19045 3987 1 6 . 1 1 32 32 GLU CB C 32 28.963 28.963 28.704 0.259 19045 3988 1 6 . 1 1 32 32 GLU H H 32 7.578 7.578 7.777 -0.199 19045 3989 1 6 . 1 1 33 33 GLU N N 33 117.741 117.741 120.034 -2.293 19045 3990 1 6 . 1 1 33 33 GLU HA H 33 3.938 3.938 4.035 -0.097 19045 3991 1 6 . 1 1 33 33 GLU CA C 33 58.768 58.768 59.262 -0.494 19045 3992 1 6 . 1 1 33 33 GLU CB C 33 29.708 29.708 29.583 0.125 19045 3993 1 6 . 1 1 33 33 GLU H H 33 7.446 7.446 7.864 -0.418 19045 3994 1 6 . 1 1 34 34 VAL N N 34 120.239 120.239 119.523 0.716 19045 3995 1 6 . 1 1 34 34 VAL HA H 34 3.108 3.108 3.613 -0.505 19045 3996 1 6 . 1 1 34 34 VAL CA C 34 66.979 66.979 66.251 0.728 19045 3997 1 6 . 1 1 34 34 VAL CB C 34 31.884 31.884 30.886 0.998 19045 3998 1 6 . 1 1 34 34 VAL H H 34 7.792 7.792 8.106 -0.314 19045 3999 1 6 . 1 1 35 35 PHE N N 35 117.559 117.559 121.213 -3.654 19045 4000 1 6 . 1 1 35 35 PHE HA H 35 4.209 4.209 4.014 0.195 19045 4001 1 6 . 1 1 35 35 PHE CA C 35 61.592 61.592 62.056 -0.464 19045 4002 1 6 . 1 1 35 35 PHE CB C 35 39.066 39.066 39.014 0.053 19045 4003 1 6 . 1 1 35 35 PHE H H 35 8.895 8.895 8.414 0.481 19045 4004 1 6 . 1 1 36 36 ARG N N 36 116.705 116.705 119.076 -2.371 19045 4005 1 6 . 1 1 36 36 ARG HA H 36 3.555 3.555 3.959 -0.404 19045 4006 1 6 . 1 1 36 36 ARG CA C 36 59.906 59.906 59.804 0.102 19045 4007 1 6 . 1 1 36 36 ARG CB C 36 29.654 29.654 30.001 -0.347 19045 4008 1 6 . 1 1 36 36 ARG H H 36 8.182 8.182 8.311 -0.129 19045 4009 1 6 . 1 1 37 37 SER N N 37 112.628 112.628 114.684 -2.056 19045 4010 1 6 . 1 1 37 37 SER HA H 37 4.122 4.122 4.245 -0.123 19045 4011 1 6 . 1 1 37 37 SER CA C 37 61.258 61.258 61.344 -0.086 19045 4012 1 6 . 1 1 37 37 SER CB C 37 63.089 63.089 63.117 -0.028 19045 4013 1 6 . 1 1 37 37 SER H H 37 7.845 7.845 8.140 -0.295 19045 4014 1 6 . 1 1 38 38 TYR N N 38 122.458 122.458 124.609 -2.151 19045 4015 1 6 . 1 1 38 38 TYR HA H 38 3.927 3.927 4.072 -0.145 19045 4016 1 6 . 1 1 38 38 TYR CA C 38 62.006 62.006 62.072 -0.066 19045 4017 1 6 . 1 1 38 38 TYR CB C 38 38.892 38.892 38.476 0.416 19045 4018 1 6 . 1 1 38 38 TYR H H 38 8.793 8.793 7.849 0.944 19045 4019 1 6 . 1 1 39 39 VAL N N 39 115.951 115.951 117.319 -1.368 19045 4020 1 6 . 1 1 39 39 VAL HA H 39 3.209 3.209 3.241 -0.032 19045 4021 1 6 . 1 1 39 39 VAL CA C 39 65.982 65.982 65.725 0.257 19045 4022 1 6 . 1 1 39 39 VAL CB C 39 30.884 30.884 30.830 0.054 19045 4023 1 6 . 1 1 39 39 VAL H H 39 8.348 8.348 8.094 0.254 19045 4024 1 6 . 1 1 40 40 PHE N N 40 119.608 119.608 121.470 -1.862 19045 4025 1 6 . 1 1 40 40 PHE HA H 40 3.915 3.915 4.173 -0.258 19045 4026 1 6 . 1 1 40 40 PHE CA C 40 61.651 61.651 61.486 0.165 19045 4027 1 6 . 1 1 40 40 PHE CB C 40 39.411 39.411 39.291 0.120 19045 4028 1 6 . 1 1 40 40 PHE H H 40 7.596 7.596 8.066 -0.470 19045 4029 1 6 . 1 1 41 41 TYR N N 41 117.686 117.686 118.842 -1.156 19045 4030 1 6 . 1 1 41 41 TYR HA H 41 3.818 3.818 3.840 -0.022 19045 4031 1 6 . 1 1 41 41 TYR CA C 41 63.446 63.446 60.131 3.315 19045 4032 1 6 . 1 1 41 41 TYR CB C 41 37.528 37.528 37.821 -0.293 19045 4033 1 6 . 1 1 41 41 TYR H H 41 8.578 8.578 8.111 0.467 19045 4034 1 6 . 1 1 42 42 ARG N N 42 121.382 121.382 119.451 1.931 19045 4035 1 6 . 1 1 42 42 ARG HA H 42 3.581 3.581 3.730 -0.149 19045 4036 1 6 . 1 1 42 42 ARG CA C 42 57.999 57.999 59.517 -1.518 19045 4037 1 6 . 1 1 42 42 ARG CB C 42 26.992 26.992 29.968 -2.976 19045 4038 1 6 . 1 1 42 42 ARG H H 42 8.784 8.784 7.980 0.804 19045 4039 1 6 . 1 1 43 43 HIS N N 43 118.684 118.684 118.717 -0.033 19045 4040 1 6 . 1 1 43 43 HIS HA H 43 4.291 4.291 4.298 -0.007 19045 4041 1 6 . 1 1 43 43 HIS CA C 43 60.041 60.041 59.355 0.686 19045 4042 1 6 . 1 1 43 43 HIS CB C 43 27.938 27.938 29.796 -1.858 19045 4043 1 6 . 1 1 43 43 HIS H H 43 8.268 8.268 7.832 0.436 19045 4044 1 6 . 1 1 44 44 GLN N N 44 117.841 117.841 118.641 -0.800 19045 4045 1 6 . 1 1 44 44 GLN HA H 44 3.638 3.638 3.732 -0.094 19045 4046 1 6 . 1 1 44 44 GLN CA C 44 58.681 58.681 59.141 -0.460 19045 4047 1 6 . 1 1 44 44 GLN CB C 44 28.977 28.977 27.952 1.025 19045 4048 1 6 . 1 1 44 44 GLN H H 44 7.722 7.722 7.812 -0.090 19045 4049 1 6 . 1 1 45 45 GLN N N 45 117.756 117.756 116.955 0.801 19045 4050 1 6 . 1 1 45 45 GLN HA H 45 3.932 3.932 4.001 -0.069 19045 4051 1 6 . 1 1 45 45 GLN CA C 45 57.923 57.923 58.480 -0.557 19045 4052 1 6 . 1 1 45 45 GLN CB C 45 28.039 28.039 28.883 -0.844 19045 4053 1 6 . 1 1 45 45 GLN H H 45 7.808 7.808 7.323 0.485 19045 4054 1 6 . 1 1 46 46 GLU N N 46 119.876 119.876 119.448 0.428 19045 4055 1 6 . 1 1 46 46 GLU HA H 46 3.951 3.951 3.873 0.078 19045 4056 1 6 . 1 1 46 46 GLU CA C 46 58.956 58.956 59.301 -0.345 19045 4057 1 6 . 1 1 46 46 GLU CB C 46 29.166 29.166 28.658 0.508 19045 4058 1 6 . 1 1 46 46 GLU H H 46 7.781 7.781 7.612 0.169 19045 4059 1 6 . 1 1 47 47 GLN N N 47 118.282 118.282 116.884 1.398 19045 4060 1 6 . 1 1 47 47 GLN HA H 47 3.800 3.800 4.175 -0.375 19045 4061 1 6 . 1 1 47 47 GLN CA C 47 57.892 57.892 57.804 0.088 19045 4062 1 6 . 1 1 47 47 GLN CB C 47 28.662 28.662 28.296 0.366 19045 4063 1 6 . 1 1 47 47 GLN H H 47 7.775 7.775 7.583 0.192 19045 4064 1 6 . 1 1 48 48 GLU N N 48 118.519 118.519 115.668 2.851 19045 4065 1 6 . 1 1 48 48 GLU HA H 48 4.009 4.009 4.086 -0.077 19045 4066 1 6 . 1 1 48 48 GLU CA C 48 57.586 57.586 57.949 -0.363 19045 4067 1 6 . 1 1 48 48 GLU CB C 48 28.922 28.922 29.584 -0.662 19045 4068 1 6 . 1 1 48 48 GLU H H 48 7.721 7.721 7.917 -0.196 19045 4069 1 6 . 1 1 49 49 ALA N N 49 121.657 121.657 122.334 -0.677 19045 4070 1 6 . 1 1 49 49 ALA HA H 49 4.140 4.140 4.255 -0.115 19045 4071 1 6 . 1 1 49 49 ALA CA C 49 53.389 53.389 53.256 0.133 19045 4072 1 6 . 1 1 49 49 ALA CB C 49 19.111 19.111 19.973 -0.862 19045 4073 1 6 . 1 1 49 49 ALA H H 49 7.675 7.675 7.805 -0.130 19045 4074 1 6 . 1 1 50 50 GLU N N 50 116.803 116.803 115.294 1.509 19045 4075 1 6 . 1 1 50 50 GLU HA H 50 4.182 4.182 4.534 -0.352 19045 4076 1 6 . 1 1 50 50 GLU CA C 50 56.420 56.420 55.008 1.412 19045 4077 1 6 . 1 1 50 50 GLU CB C 50 29.798 29.798 33.714 -3.916 19045 4078 1 6 . 1 1 50 50 GLU H H 50 8.106 8.106 7.824 0.282 19045 4079 1 6 . 1 1 51 51 GLY N N 51 109.812 109.812 107.554 2.258 19045 4080 1 6 . 1 1 51 51 GLY CA C 51 45.739 45.739 45.651 0.088 19045 4081 1 6 . 1 1 51 51 GLY H H 51 8.060 8.060 8.540 -0.480 19045 4082 1 6 . 1 1 52 52 VAL N N 52 118.668 118.668 117.015 1.653 19045 4083 1 6 . 1 1 52 52 VAL HA H 52 4.001 4.001 4.420 -0.419 19045 4084 1 6 . 1 1 52 52 VAL CA C 52 62.175 62.175 60.525 1.650 19045 4085 1 6 . 1 1 52 52 VAL CB C 52 32.294 32.294 34.551 -2.257 19045 4086 1 6 . 1 1 52 52 VAL H H 52 7.718 7.718 7.328 0.390 19045 4087 1 6 . 1 1 53 53 ALA N N 53 125.624 125.624 122.204 3.420 19045 4088 1 6 . 1 1 53 53 ALA HA H 53 4.220 4.220 4.074 0.146 19045 4089 1 6 . 1 1 53 53 ALA CA C 53 51.869 51.869 53.063 -1.194 19045 4090 1 6 . 1 1 53 53 ALA CB C 53 19.065 19.065 18.262 0.803 19045 4091 1 6 . 1 1 53 53 ALA H H 53 8.073 8.073 8.764 -0.691 19045 4092 1 6 . 1 1 54 54 ALA N N 54 123.638 123.638 121.542 2.096 19045 4093 1 6 . 1 1 54 54 ALA HA H 54 4.472 4.472 5.317 -0.845 19045 4094 1 6 . 1 1 54 54 ALA CA C 54 49.869 49.869 49.598 0.271 19045 4095 1 6 . 1 1 54 54 ALA CB C 54 18.488 18.488 20.979 -2.491 19045 4096 1 6 . 1 1 54 54 ALA H H 54 7.718 7.718 8.124 -0.406 19045 4097 1 6 . 1 1 55 55 PRO HA H 55 4.292 4.292 4.448 -0.156 19045 4098 1 6 . 1 1 55 55 PRO CA C 55 62.966 62.966 62.994 -0.028 19045 4099 1 6 . 1 1 55 55 PRO CB C 55 31.754 31.754 33.591 -1.837 19045 4100 1 6 . 1 1 56 56 ALA N N 56 124.218 124.218 124.788 -0.570 19045 4101 1 6 . 1 1 56 56 ALA HA H 56 4.220 4.220 4.302 -0.082 19045 4102 1 6 . 1 1 56 56 ALA CB C 56 19.119 19.119 19.247 -0.128 19045 4103 1 6 . 1 1 56 56 ALA H H 56 8.259 8.259 7.882 0.377 19045 4104 1 6 . 1 1 57 57 ASP N N 57 120.884 120.884 118.851 2.033 19045 4105 1 6 . 1 1 57 57 ASP HA H 57 4.572 4.572 4.467 0.105 19045 4106 1 6 . 1 1 57 57 ASP CA C 57 52.742 52.742 54.059 -1.317 19045 4107 1 6 . 1 1 57 57 ASP CB C 57 41.642 41.642 39.609 2.033 19045 4108 1 6 . 1 1 57 57 ASP H H 57 7.829 7.829 8.458 -0.629 19045 4109 1 6 . 1 1 58 58 PRO HA H 58 4.052 4.052 4.371 -0.319 19045 4110 1 6 . 1 1 58 58 PRO CA C 58 64.128 64.128 63.558 0.570 19045 4111 1 6 . 1 1 58 58 PRO CB C 58 31.989 31.989 31.619 0.370 19045 4112 1 6 . 1 1 59 59 GLU HA H 59 4.549 4.549 4.382 0.167 19045 4113 1 6 . 1 1 59 59 GLU CA C 59 54.266 54.266 56.631 -2.365 19045 4114 1 6 . 1 1 59 59 GLU CB C 59 29.285 29.285 32.520 -3.235 19045 4115 1 6 . 1 1 60 60 MET HA H 60 3.846 3.846 4.274 -0.428 19045 4116 1 6 . 1 1 60 60 MET CA C 60 57.219 57.219 58.101 -0.882 19045 4117 1 6 . 1 1 60 60 MET CB C 60 31.894 31.894 32.164 -0.270 19045 4118 1 6 . 1 1 60 60 MET H H 60 7.070 7.070 8.873 -1.803 19045 4119 1 6 . 1 1 61 61 VAL N N 61 113.014 113.014 116.186 -3.172 19045 4120 1 6 . 1 1 61 61 VAL HA H 61 4.051 4.051 3.952 0.099 19045 4121 1 6 . 1 1 61 61 VAL CA C 61 62.799 62.799 62.994 -0.195 19045 4122 1 6 . 1 1 61 61 VAL CB C 61 31.993 31.993 31.267 0.726 19045 4123 1 6 . 1 1 61 61 VAL H H 61 6.833 6.833 8.156 -1.323 19045 4124 1 6 . 1 1 62 62 THR N N 62 110.188 110.188 111.433 -1.245 19045 4125 1 6 . 1 1 62 62 THR HA H 62 4.230 4.230 3.847 0.383 19045 4126 1 6 . 1 1 62 62 THR CA C 62 60.947 60.947 63.107 -2.160 19045 4127 1 6 . 1 1 62 62 THR CB C 62 69.192 69.192 68.016 1.176 19045 4128 1 6 . 1 1 62 62 THR H H 62 7.101 7.101 7.733 -0.632 19045 4129 1 6 . 1 1 63 63 LEU N N 63 125.158 125.158 123.917 1.241 19045 4130 1 6 . 1 1 63 63 LEU HA H 63 4.205 4.205 4.179 0.026 19045 4131 1 6 . 1 1 63 63 LEU CA C 63 52.688 52.688 54.168 -1.480 19045 4132 1 6 . 1 1 63 63 LEU CB C 63 42.252 42.252 40.576 1.676 19045 4133 1 6 . 1 1 63 63 LEU H H 63 7.079 7.079 8.207 -1.128 19045 4134 1 6 . 1 1 64 64 PRO HA H 64 4.282 4.282 4.372 -0.090 19045 4135 1 6 . 1 1 64 64 PRO CA C 64 62.613 62.613 62.473 0.140 19045 4136 1 6 . 1 1 64 64 PRO CB C 64 30.705 30.705 29.921 0.784 19045 4137 1 6 . 1 1 65 65 LEU N N 65 122.384 122.384 117.434 4.950 19045 4138 1 6 . 1 1 65 65 LEU HA H 65 4.234 4.234 4.793 -0.559 19045 4139 1 6 . 1 1 65 65 LEU CA C 65 54.499 54.499 52.334 2.165 19045 4140 1 6 . 1 1 65 65 LEU CB C 65 43.438 43.438 43.183 0.255 19045 4141 1 6 . 1 1 65 65 LEU H H 65 7.653 7.653 8.039 -0.386 19045 4142 1 6 . 1 1 66 66 GLN N N 66 121.802 121.802 119.664 2.138 19045 4143 1 6 . 1 1 66 66 GLN HA H 66 4.209 4.209 4.732 -0.523 19045 4144 1 6 . 1 1 66 66 GLN CA C 66 52.783 52.783 52.627 0.156 19045 4145 1 6 . 1 1 66 66 GLN CB C 66 28.136 28.136 29.006 -0.870 19045 4146 1 6 . 1 1 66 66 GLN H H 66 8.634 8.634 8.589 0.045 19045 4147 1 6 . 1 1 67 67 PRO HA H 67 4.139 4.139 4.563 -0.424 19045 4148 1 6 . 1 1 67 67 PRO CA C 67 64.488 64.488 63.941 0.547 19045 4149 1 6 . 1 1 67 67 PRO CB C 67 32.003 32.003 32.011 -0.008 19045 4150 1 6 . 1 1 68 68 SER N N 68 111.024 111.024 113.547 -2.523 19045 4151 1 6 . 1 1 68 68 SER HA H 68 4.313 4.313 4.592 -0.279 19045 4152 1 6 . 1 1 68 68 SER CA C 68 57.991 57.991 58.007 -0.016 19045 4153 1 6 . 1 1 68 68 SER CB C 68 63.252 63.252 63.488 -0.236 19045 4154 1 6 . 1 1 68 68 SER H H 68 8.119 8.119 8.031 0.088 19045 4155 1 6 . 1 1 69 69 SER N N 69 117.598 117.598 115.562 2.036 19045 4156 1 6 . 1 1 69 69 SER HA H 69 4.440 4.440 4.710 -0.270 19045 4157 1 6 . 1 1 69 69 SER CA C 69 57.518 57.518 57.100 0.418 19045 4158 1 6 . 1 1 69 69 SER CB C 69 64.587 64.587 65.340 -0.753 19045 4159 1 6 . 1 1 69 69 SER H H 69 7.723 7.723 7.600 0.123 19045 4160 1 6 . 1 1 70 70 THR N N 70 121.887 121.887 118.880 3.007 19045 4161 1 6 . 1 1 70 70 THR HA H 70 3.873 3.873 4.067 -0.194 19045 4162 1 6 . 1 1 70 70 THR CA C 70 66.723 66.723 65.859 0.864 19045 4163 1 6 . 1 1 70 70 THR CB C 70 68.385 68.385 68.983 -0.597 19045 4164 1 6 . 1 1 70 70 THR H H 70 8.827 8.827 8.742 0.085 19045 4165 1 6 . 1 1 71 71 MET N N 71 117.344 117.344 120.097 -2.753 19045 4166 1 6 . 1 1 71 71 MET HA H 71 4.469 4.469 4.151 0.318 19045 4167 1 6 . 1 1 71 71 MET CA C 71 56.260 56.260 59.610 -3.350 19045 4168 1 6 . 1 1 71 71 MET CB C 71 31.696 31.696 32.050 -0.354 19045 4169 1 6 . 1 1 71 71 MET H H 71 8.454 8.454 8.162 0.292 19045 4170 1 6 . 1 1 72 72 GLY N N 72 108.884 108.884 103.340 5.544 19045 4171 1 6 . 1 1 72 72 GLY CA C 72 46.884 46.884 46.774 0.110 19045 4172 1 6 . 1 1 72 72 GLY H H 72 7.979 7.979 8.082 -0.103 19045 4173 1 6 . 1 1 73 73 GLN N N 73 121.522 121.522 120.327 1.195 19045 4174 1 6 . 1 1 73 73 GLN HA H 73 3.857 3.857 4.311 -0.454 19045 4175 1 6 . 1 1 73 73 GLN CA C 73 58.220 58.220 57.275 0.945 19045 4176 1 6 . 1 1 73 73 GLN CB C 73 28.309 28.309 28.375 -0.066 19045 4177 1 6 . 1 1 73 73 GLN H H 73 7.859 7.859 7.787 0.072 19045 4178 1 6 . 1 1 74 74 VAL N N 74 121.291 121.291 120.817 0.474 19045 4179 1 6 . 1 1 74 74 VAL HA H 74 3.359 3.359 3.667 -0.308 19045 4180 1 6 . 1 1 74 74 VAL CA C 74 67.150 67.150 66.959 0.191 19045 4181 1 6 . 1 1 74 74 VAL CB C 74 31.249 31.249 31.823 -0.574 19045 4182 1 6 . 1 1 74 74 VAL H H 74 8.155 8.155 7.880 0.275 19045 4183 1 6 . 1 1 75 75 GLY N N 75 105.037 105.037 105.817 -0.780 19045 4184 1 6 . 1 1 75 75 GLY CA C 75 48.385 48.385 47.181 1.204 19045 4185 1 6 . 1 1 75 75 GLY H H 75 8.154 8.154 7.773 0.381 19045 4186 1 6 . 1 1 76 76 ARG N N 76 119.292 119.292 120.678 -1.386 19045 4187 1 6 . 1 1 76 76 ARG HA H 76 3.320 3.320 4.169 -0.849 19045 4188 1 6 . 1 1 76 76 ARG CA C 76 59.540 59.540 60.023 -0.482 19045 4189 1 6 . 1 1 76 76 ARG CB C 76 30.130 30.130 30.390 -0.260 19045 4190 1 6 . 1 1 76 76 ARG H H 76 7.512 7.512 7.619 -0.107 19045 4191 1 6 . 1 1 77 77 GLN N N 77 118.008 118.008 118.695 -0.687 19045 4192 1 6 . 1 1 77 77 GLN HA H 77 3.951 3.951 4.125 -0.174 19045 4193 1 6 . 1 1 77 77 GLN CA C 77 58.337 58.337 58.764 -0.427 19045 4194 1 6 . 1 1 77 77 GLN CB C 77 27.512 27.512 27.826 -0.314 19045 4195 1 6 . 1 1 77 77 GLN H H 77 7.852 7.852 7.888 -0.036 19045 4196 1 6 . 1 1 78 78 LEU N N 78 116.018 116.018 119.628 -3.610 19045 4197 1 6 . 1 1 78 78 LEU HA H 78 4.078 4.078 3.984 0.094 19045 4198 1 6 . 1 1 78 78 LEU CA C 78 57.391 57.391 57.922 -0.531 19045 4199 1 6 . 1 1 78 78 LEU CB C 78 40.999 40.999 41.629 -0.630 19045 4200 1 6 . 1 1 78 78 LEU H H 78 8.412 8.412 8.377 0.035 19045 4201 1 6 . 1 1 79 79 ALA N N 79 120.914 120.914 119.717 1.197 19045 4202 1 6 . 1 1 79 79 ALA HA H 79 3.896 3.896 3.950 -0.054 19045 4203 1 6 . 1 1 79 79 ALA CA C 79 54.789 54.789 54.726 0.063 19045 4204 1 6 . 1 1 79 79 ALA CB C 79 17.880 17.880 18.244 -0.364 19045 4205 1 6 . 1 1 79 79 ALA H H 79 7.789 7.789 8.039 -0.250 19045 4206 1 6 . 1 1 80 80 ILE N N 80 117.984 117.984 118.568 -0.584 19045 4207 1 6 . 1 1 80 80 ILE HA H 80 3.895 3.895 3.767 0.128 19045 4208 1 6 . 1 1 80 80 ILE CA C 80 63.576 63.576 64.925 -1.349 19045 4209 1 6 . 1 1 80 80 ILE CB C 80 38.607 38.607 38.452 0.155 19045 4210 1 6 . 1 1 80 80 ILE H H 80 7.690 7.690 7.477 0.213 19045 4211 1 6 . 1 1 81 81 ILE HA H 81 3.984 3.984 3.913 0.071 19045 4212 1 6 . 1 1 81 81 ILE CA C 81 63.608 63.608 63.742 -0.134 19045 4213 1 6 . 1 1 81 81 ILE CB C 81 37.587 37.587 37.467 0.120 19045 4214 1 6 . 1 1 81 81 ILE H H 81 7.910 7.910 7.967 -0.057 19045 4215 1 6 . 1 1 82 82 GLY CA C 82 45.566 45.566 45.182 0.384 19045 4216 1 6 . 1 1 82 82 GLY H H 82 7.765 7.765 8.338 -0.573 19045 4217 1 6 . 1 1 83 83 ASP N N 83 119.914 119.914 122.712 -2.798 19045 4218 1 6 . 1 1 83 83 ASP HA H 83 4.332 4.332 4.340 -0.008 19045 4219 1 6 . 1 1 83 83 ASP CA C 83 58.161 58.161 57.814 0.347 19045 4220 1 6 . 1 1 83 83 ASP CB C 83 41.771 41.771 41.075 0.696 19045 4221 1 6 . 1 1 83 83 ASP H H 83 7.400 7.400 7.704 -0.304 19045 4222 1 6 . 1 1 84 84 ASP N N 84 116.566 116.566 119.481 -2.915 19045 4223 1 6 . 1 1 84 84 ASP HA H 84 4.200 4.200 4.399 -0.199 19045 4224 1 6 . 1 1 84 84 ASP CA C 84 57.270 57.270 57.278 -0.008 19045 4225 1 6 . 1 1 84 84 ASP CB C 84 40.593 40.593 40.517 0.076 19045 4226 1 6 . 1 1 84 84 ASP H H 84 8.523 8.523 7.954 0.569 19045 4227 1 6 . 1 1 85 85 ILE N N 85 120.454 120.454 118.963 1.491 19045 4228 1 6 . 1 1 85 85 ILE HA H 85 3.753 3.753 3.818 -0.066 19045 4229 1 6 . 1 1 85 85 ILE CA C 85 63.782 63.782 64.215 -0.433 19045 4230 1 6 . 1 1 85 85 ILE CB C 85 37.546 37.546 37.086 0.460 19045 4231 1 6 . 1 1 85 85 ILE H H 85 7.707 7.707 7.963 -0.256 19045 4232 1 6 . 1 1 86 86 ASN N N 86 118.583 118.583 119.405 -0.822 19045 4233 1 6 . 1 1 86 86 ASN HA H 86 4.472 4.472 4.478 -0.006 19045 4234 1 6 . 1 1 86 86 ASN CA C 86 56.087 56.087 56.676 -0.589 19045 4235 1 6 . 1 1 86 86 ASN CB C 86 37.614 37.614 38.621 -1.007 19045 4236 1 6 . 1 1 86 86 ASN H H 86 8.440 8.440 8.376 0.064 19045 4237 1 6 . 1 1 87 87 ARG N N 87 117.819 117.819 119.387 -1.568 19045 4238 1 6 . 1 1 87 87 ARG HA H 87 4.043 4.043 3.996 0.047 19045 4239 1 6 . 1 1 87 87 ARG CA C 87 59.035 59.035 58.694 0.341 19045 4240 1 6 . 1 1 87 87 ARG CB C 87 29.845 29.845 29.586 0.259 19045 4241 1 6 . 1 1 87 87 ARG H H 87 8.214 8.214 7.915 0.299 19045 4242 1 6 . 1 1 88 88 ARG N N 88 117.971 117.971 118.646 -0.675 19045 4243 1 6 . 1 1 88 88 ARG HA H 88 3.965 3.965 3.952 0.013 19045 4244 1 6 . 1 1 88 88 ARG CA C 88 58.161 58.161 58.941 -0.780 19045 4245 1 6 . 1 1 88 88 ARG CB C 88 30.376 30.376 30.526 -0.150 19045 4246 1 6 . 1 1 88 88 ARG H H 88 7.438 7.438 8.009 -0.571 19045 4247 1 6 . 1 1 89 89 TYR N N 89 114.591 114.591 114.722 -0.131 19045 4248 1 6 . 1 1 89 89 TYR HA H 89 4.753 4.753 4.627 0.126 19045 4249 1 6 . 1 1 89 89 TYR CA C 89 59.481 59.481 59.660 -0.179 19045 4250 1 6 . 1 1 89 89 TYR CB C 89 39.610 39.610 39.575 0.035 19045 4251 1 6 . 1 1 89 89 TYR H H 89 7.635 7.635 8.133 -0.498 19045 4252 1 6 . 1 1 90 90 ASP HA H 90 4.820 4.820 4.276 0.544 19045 4253 1 6 . 1 1 90 90 ASP CA C 90 58.200 58.200 57.018 1.182 19045 4254 1 6 . 1 1 90 90 ASP CB C 90 41.407 41.407 40.477 0.930 19045 4255 1 6 . 1 1 90 90 ASP H H 90 8.282 8.282 7.975 0.307 19045 4256 1 6 . 1 1 91 91 SER N N 91 115.266 115.266 115.309 -0.043 19045 4257 1 6 . 1 1 91 91 SER HA H 91 4.170 4.170 4.143 0.027 19045 4258 1 6 . 1 1 91 91 SER CA C 91 61.780 61.780 61.456 0.324 19045 4259 1 6 . 1 1 91 91 SER CB C 91 61.891 61.891 63.057 -1.166 19045 4260 1 6 . 1 1 91 91 SER H H 91 8.717 8.717 8.184 0.533 19045 4261 1 6 . 1 1 92 92 GLU N N 92 122.093 122.093 121.026 1.067 19045 4262 1 6 . 1 1 92 92 GLU HA H 92 4.056 4.056 4.171 -0.115 19045 4263 1 6 . 1 1 92 92 GLU CA C 92 58.928 58.928 58.491 0.437 19045 4264 1 6 . 1 1 92 92 GLU CB C 92 29.796 29.796 29.278 0.518 19045 4265 1 6 . 1 1 92 92 GLU H H 92 8.025 8.025 8.003 0.022 19045 4266 1 6 . 1 1 93 93 PHE HA H 93 4.171 4.171 4.039 0.132 19045 4267 1 6 . 1 1 93 93 PHE CA C 93 60.704 60.704 61.794 -1.090 19045 4268 1 6 . 1 1 93 93 PHE CB C 93 38.780 38.780 39.141 -0.361 19045 4269 1 6 . 1 1 93 93 PHE H H 93 7.801 7.801 7.741 0.060 19045 4270 1 6 . 1 1 94 94 GLN N N 94 118.578 118.578 117.738 0.840 19045 4271 1 6 . 1 1 94 94 GLN HA H 94 3.847 3.847 3.718 0.129 19045 4272 1 6 . 1 1 94 94 GLN CA C 94 59.981 59.981 59.406 0.575 19045 4273 1 6 . 1 1 94 94 GLN CB C 94 28.415 28.415 28.290 0.126 19045 4274 1 6 . 1 1 94 94 GLN H H 94 8.609 8.609 8.156 0.453 19045 4275 1 6 . 1 1 95 95 THR N N 95 116.128 116.128 116.637 -0.509 19045 4276 1 6 . 1 1 95 95 THR HA H 95 3.811 3.811 3.973 -0.162 19045 4277 1 6 . 1 1 95 95 THR CA C 95 66.391 66.391 66.446 -0.055 19045 4278 1 6 . 1 1 95 95 THR CB C 95 68.361 68.361 68.511 -0.150 19045 4279 1 6 . 1 1 95 95 THR H H 95 7.826 7.826 7.531 0.295 19045 4280 1 6 . 1 1 96 96 MET N N 96 120.474 120.474 118.617 1.857 19045 4281 1 6 . 1 1 96 96 MET HA H 96 3.933 3.933 3.263 0.670 19045 4282 1 6 . 1 1 96 96 MET CA C 96 59.949 59.949 57.364 2.585 19045 4283 1 6 . 1 1 96 96 MET CB C 96 33.087 33.087 31.543 1.544 19045 4284 1 6 . 1 1 96 96 MET H H 96 7.728 7.728 7.454 0.274 19045 4285 1 6 . 1 1 97 97 LEU N N 97 118.904 118.904 120.800 -1.896 19045 4286 1 6 . 1 1 97 97 LEU HA H 97 3.604 3.604 3.593 0.011 19045 4287 1 6 . 1 1 97 97 LEU CA C 97 57.771 57.771 57.403 0.368 19045 4288 1 6 . 1 1 97 97 LEU CB C 97 40.836 40.836 40.999 -0.163 19045 4289 1 6 . 1 1 97 97 LEU H H 97 8.112 8.112 7.897 0.215 19045 4290 1 6 . 1 1 98 98 GLN N N 98 116.798 116.798 116.948 -0.150 19045 4291 1 6 . 1 1 98 98 GLN HA H 98 4.003 4.003 4.116 -0.113 19045 4292 1 6 . 1 1 98 98 GLN CA C 98 58.337 58.337 58.357 -0.020 19045 4293 1 6 . 1 1 98 98 GLN CB C 98 27.659 27.659 28.750 -1.091 19045 4294 1 6 . 1 1 98 98 GLN H H 98 7.754 7.754 7.818 -0.064 19045 4295 1 6 . 1 1 99 99 HIS N N 99 115.943 115.943 117.640 -1.697 19045 4296 1 6 . 1 1 99 99 HIS HA H 99 4.442 4.442 4.265 0.177 19045 4297 1 6 . 1 1 99 99 HIS CA C 99 57.025 57.025 57.168 -0.143 19045 4298 1 6 . 1 1 99 99 HIS CB C 99 28.848 28.848 30.038 -1.190 19045 4299 1 6 . 1 1 99 99 HIS H H 99 7.504 7.504 7.475 0.029 19045 4300 1 6 . 1 1 100 100 LEU N N 100 121.347 121.347 119.696 1.651 19045 4301 1 6 . 1 1 100 100 LEU HA H 100 3.803 3.803 3.927 -0.124 19045 4302 1 6 . 1 1 100 100 LEU CA C 100 56.801 56.801 56.762 0.039 19045 4303 1 6 . 1 1 100 100 LEU CB C 100 42.563 42.563 42.678 -0.115 19045 4304 1 6 . 1 1 100 100 LEU H H 100 8.013 8.013 7.633 0.380 19045 4305 1 6 . 1 1 101 101 GLN N N 101 110.029 110.029 114.773 -4.744 19045 4306 1 6 . 1 1 101 101 GLN HA H 101 4.003 4.003 4.056 -0.053 19045 4307 1 6 . 1 1 101 101 GLN CA C 101 55.685 55.685 55.507 0.178 19045 4308 1 6 . 1 1 101 101 GLN CB C 101 27.301 27.301 26.534 0.767 19045 4309 1 6 . 1 1 101 101 GLN H H 101 7.763 7.763 7.747 0.016 19045 4310 1 6 . 1 1 102 102 PRO HA H 102 4.926 4.926 4.544 0.382 19045 4311 1 6 . 1 1 102 102 PRO CA C 102 62.372 62.372 63.221 -0.849 19045 4312 1 6 . 1 1 102 102 PRO CB C 102 31.963 31.963 32.473 -0.510 19045 4313 1 6 . 1 1 103 103 THR N N 103 114.119 114.119 107.647 6.472 19045 4314 1 6 . 1 1 103 103 THR HA H 103 4.420 4.420 4.502 -0.082 19045 4315 1 6 . 1 1 103 103 THR CA C 103 58.716 58.716 59.454 -0.738 19045 4316 1 6 . 1 1 103 103 THR CB C 103 72.929 72.929 72.353 0.576 19045 4317 1 6 . 1 1 103 103 THR H H 103 9.386 9.386 8.103 1.283 19045 4318 1 6 . 1 1 104 104 ALA N N 104 120.374 120.374 121.792 -1.418 19045 4319 1 6 . 1 1 104 104 ALA HA H 104 3.737 3.737 4.004 -0.267 19045 4320 1 6 . 1 1 104 104 ALA CA C 104 54.782 54.782 54.390 0.392 19045 4321 1 6 . 1 1 104 104 ALA CB C 104 18.050 18.050 17.871 0.179 19045 4322 1 6 . 1 1 104 104 ALA H H 104 8.723 8.723 8.390 0.333 19045 4323 1 6 . 1 1 105 105 GLU N N 105 113.834 113.834 115.856 -2.022 19045 4324 1 6 . 1 1 105 105 GLU HA H 105 4.122 4.122 4.270 -0.148 19045 4325 1 6 . 1 1 105 105 GLU CA C 105 58.707 58.707 58.790 -0.083 19045 4326 1 6 . 1 1 105 105 GLU CB C 105 29.445 29.445 29.262 0.183 19045 4327 1 6 . 1 1 105 105 GLU H H 105 7.969 7.969 8.483 -0.514 19045 4328 1 6 . 1 1 106 106 ASN N N 106 114.135 114.135 117.221 -3.086 19045 4329 1 6 . 1 1 106 106 ASN HA H 106 4.781 4.781 4.260 0.521 19045 4330 1 6 . 1 1 106 106 ASN CA C 106 52.222 52.222 52.555 -0.333 19045 4331 1 6 . 1 1 106 106 ASN CB C 106 38.983 38.983 38.505 0.478 19045 4332 1 6 . 1 1 106 106 ASN H H 106 7.151 7.151 7.682 -0.531 19045 4333 1 6 . 1 1 107 107 ALA N N 107 121.280 121.280 122.740 -1.460 19045 4334 1 6 . 1 1 107 107 ALA HA H 107 3.858 3.858 3.999 -0.141 19045 4335 1 6 . 1 1 107 107 ALA CA C 107 56.988 56.988 55.331 1.657 19045 4336 1 6 . 1 1 107 107 ALA CB C 107 18.278 18.278 18.575 -0.297 19045 4337 1 6 . 1 1 107 107 ALA H H 107 7.940 7.940 7.888 0.052 19045 4338 1 6 . 1 1 108 108 TYR N N 108 117.339 117.339 115.705 1.634 19045 4339 1 6 . 1 1 108 108 TYR HA H 108 3.048 3.048 4.066 -1.018 19045 4340 1 6 . 1 1 108 108 TYR CA C 108 60.578 60.578 60.008 0.570 19045 4341 1 6 . 1 1 108 108 TYR CB C 108 36.804 36.804 37.114 -0.310 19045 4342 1 6 . 1 1 108 108 TYR H H 108 8.783 8.783 7.786 0.997 19045 4343 1 6 . 1 1 109 109 GLU N N 109 123.316 123.316 121.426 1.890 19045 4344 1 6 . 1 1 109 109 GLU HA H 109 3.681 3.681 3.779 -0.098 19045 4345 1 6 . 1 1 109 109 GLU CA C 109 59.152 59.152 58.504 0.648 19045 4346 1 6 . 1 1 109 109 GLU CB C 109 28.782 28.782 28.375 0.407 19045 4347 1 6 . 1 1 109 109 GLU H H 109 8.084 8.084 7.508 0.576 19045 4348 1 6 . 1 1 110 110 TYR N N 110 117.254 117.254 116.690 0.564 19045 4349 1 6 . 1 1 110 110 TYR HA H 110 4.339 4.339 4.404 -0.065 19045 4350 1 6 . 1 1 110 110 TYR CA C 110 58.527 58.527 58.234 0.293 19045 4351 1 6 . 1 1 110 110 TYR CB C 110 36.323 36.323 38.305 -1.982 19045 4352 1 6 . 1 1 110 110 TYR H H 110 8.282 8.282 7.497 0.785 19045 4353 1 6 . 1 1 111 111 PHE N N 111 119.028 119.028 121.609 -2.581 19045 4354 1 6 . 1 1 111 111 PHE HA H 111 3.889 3.889 4.164 -0.275 19045 4355 1 6 . 1 1 111 111 PHE CA C 111 62.350 62.350 61.038 1.312 19045 4356 1 6 . 1 1 111 111 PHE CB C 111 39.369 39.369 39.011 0.358 19045 4357 1 6 . 1 1 111 111 PHE H H 111 9.197 9.197 8.836 0.361 19045 4358 1 6 . 1 1 112 112 THR N N 112 113.669 113.669 112.721 0.948 19045 4359 1 6 . 1 1 112 112 THR HA H 112 3.411 3.411 3.305 0.106 19045 4360 1 6 . 1 1 112 112 THR CA C 112 67.185 67.185 66.306 0.879 19045 4361 1 6 . 1 1 112 112 THR CB C 112 68.294 68.294 67.981 0.313 19045 4362 1 6 . 1 1 112 112 THR H H 112 8.315 8.315 8.435 -0.120 19045 4363 1 6 . 1 1 113 113 LYS N N 113 124.090 124.090 122.021 2.069 19045 4364 1 6 . 1 1 113 113 LYS HA H 113 3.854 3.854 4.084 -0.230 19045 4365 1 6 . 1 1 113 113 LYS CA C 113 60.416 60.416 58.811 1.605 19045 4366 1 6 . 1 1 113 113 LYS CB C 113 33.219 33.219 32.096 1.123 19045 4367 1 6 . 1 1 113 113 LYS H H 113 8.335 8.335 7.445 0.890 19045 4368 1 6 . 1 1 114 114 ILE N N 114 120.457 120.457 119.518 0.939 19045 4369 1 6 . 1 1 114 114 ILE HA H 114 3.145 3.145 3.642 -0.497 19045 4370 1 6 . 1 1 114 114 ILE CA C 114 65.550 65.550 63.375 2.175 19045 4371 1 6 . 1 1 114 114 ILE CB C 114 37.402 37.402 36.203 1.199 19045 4372 1 6 . 1 1 114 114 ILE H H 114 8.042 8.042 7.925 0.117 19045 4373 1 6 . 1 1 115 115 ALA N N 115 121.066 121.066 122.852 -1.786 19045 4374 1 6 . 1 1 115 115 ALA HA H 115 3.219 3.219 3.919 -0.700 19045 4375 1 6 . 1 1 115 115 ALA CA C 115 54.940 54.940 55.303 -0.363 19045 4376 1 6 . 1 1 115 115 ALA CB C 115 16.345 16.345 17.245 -0.900 19045 4377 1 6 . 1 1 115 115 ALA H H 115 8.208 8.208 8.089 0.119 19045 4378 1 6 . 1 1 116 116 THR N N 116 112.803 112.803 114.981 -2.178 19045 4379 1 6 . 1 1 116 116 THR HA H 116 3.808 3.808 4.248 -0.440 19045 4380 1 6 . 1 1 116 116 THR CA C 116 67.557 67.557 66.339 1.218 19045 4381 1 6 . 1 1 116 116 THR CB C 116 68.431 68.431 68.414 0.017 19045 4382 1 6 . 1 1 116 116 THR H H 116 7.893 7.893 7.783 0.110 19045 4383 1 6 . 1 1 117 117 SER N N 117 115.935 115.935 115.767 0.168 19045 4384 1 6 . 1 1 117 117 SER HA H 117 4.070 4.070 4.355 -0.285 19045 4385 1 6 . 1 1 117 117 SER CA C 117 61.879 61.879 61.382 0.497 19045 4386 1 6 . 1 1 117 117 SER CB C 117 62.907 62.907 63.113 -0.206 19045 4387 1 6 . 1 1 117 117 SER H H 117 7.139 7.139 7.789 -0.650 19045 4388 1 6 . 1 1 118 118 LEU N N 118 123.462 123.462 123.334 0.128 19045 4389 1 6 . 1 1 118 118 LEU HA H 118 3.596 3.596 3.920 -0.324 19045 4390 1 6 . 1 1 118 118 LEU CA C 118 58.014 58.014 57.716 0.298 19045 4391 1 6 . 1 1 118 118 LEU CB C 118 41.687 41.687 42.397 -0.710 19045 4392 1 6 . 1 1 118 118 LEU H H 118 7.844 7.844 7.770 0.074 19045 4393 1 6 . 1 1 119 119 PHE N N 119 110.270 110.270 112.486 -2.216 19045 4394 1 6 . 1 1 119 119 PHE HA H 119 4.721 4.721 4.562 0.159 19045 4395 1 6 . 1 1 119 119 PHE CA C 119 58.698 58.698 57.484 1.214 19045 4396 1 6 . 1 1 119 119 PHE CB C 119 38.838 38.838 37.720 1.118 19045 4397 1 6 . 1 1 119 119 PHE H H 119 6.878 6.878 8.527 -1.649 19045 4398 1 6 . 1 1 120 120 GLU N N 120 123.135 123.135 119.592 3.543 19045 4399 1 6 . 1 1 120 120 GLU HA H 120 4.016 4.016 4.278 -0.262 19045 4400 1 6 . 1 1 120 120 GLU CA C 120 59.532 59.532 58.401 1.131 19045 4401 1 6 . 1 1 120 120 GLU CB C 120 29.337 29.337 29.780 -0.443 19045 4402 1 6 . 1 1 120 120 GLU H H 120 7.551 7.551 7.834 -0.283 19045 4403 1 6 . 1 1 121 121 SER N N 121 107.983 107.983 114.691 -6.708 19045 4404 1 6 . 1 1 121 121 SER HA H 121 4.522 4.522 4.428 0.094 19045 4405 1 6 . 1 1 121 121 SER CA C 121 57.342 57.342 59.581 -2.239 19045 4406 1 6 . 1 1 121 121 SER CB C 121 63.353 63.353 64.123 -0.770 19045 4407 1 6 . 1 1 121 121 SER H H 121 7.712 7.712 8.207 -0.495 19045 4408 1 6 . 1 1 122 122 GLY N N 122 110.748 110.748 107.271 3.477 19045 4409 1 6 . 1 1 122 122 GLY CA C 122 44.419 44.419 44.820 -0.401 19045 4410 1 6 . 1 1 122 122 GLY H H 122 7.317 7.317 7.926 -0.609 19045 4411 1 6 . 1 1 123 123 ILE N N 123 117.061 117.061 118.643 -1.582 19045 4412 1 6 . 1 1 123 123 ILE HA H 123 3.724 3.724 4.184 -0.460 19045 4413 1 6 . 1 1 123 123 ILE CA C 123 61.383 61.383 60.446 0.937 19045 4414 1 6 . 1 1 123 123 ILE CB C 123 40.588 40.588 38.919 1.669 19045 4415 1 6 . 1 1 123 123 ILE H H 123 7.963 7.963 8.179 -0.216 19045 4416 1 6 . 1 1 124 124 ASN N N 124 117.915 117.915 122.366 -4.451 19045 4417 1 6 . 1 1 124 124 ASN HA H 124 4.204 4.204 4.902 -0.698 19045 4418 1 6 . 1 1 124 124 ASN CA C 124 51.886 51.886 52.464 -0.578 19045 4419 1 6 . 1 1 124 124 ASN CB C 124 39.033 39.033 41.208 -2.175 19045 4420 1 6 . 1 1 124 124 ASN H H 124 6.434 6.434 7.865 -1.431 19045 4421 1 6 . 1 1 125 125 TRP N N 125 119.673 119.673 123.405 -3.732 19045 4422 1 6 . 1 1 125 125 TRP HA H 125 4.470 4.470 4.549 -0.079 19045 4423 1 6 . 1 1 125 125 TRP CA C 125 61.257 61.257 61.079 0.178 19045 4424 1 6 . 1 1 125 125 TRP CB C 125 30.287 30.287 29.567 0.720 19045 4425 1 6 . 1 1 125 125 TRP H H 125 8.824 8.824 9.096 -0.272 19045 4426 1 6 . 1 1 126 126 GLY N N 126 107.516 107.516 105.869 1.647 19045 4427 1 6 . 1 1 126 126 GLY CA C 126 48.294 48.294 47.211 1.083 19045 4428 1 6 . 1 1 126 126 GLY H H 126 9.118 9.118 8.830 0.288 19045 4429 1 6 . 1 1 127 127 ARG N N 127 119.610 119.610 121.812 -2.202 19045 4430 1 6 . 1 1 127 127 ARG HA H 127 3.742 3.742 3.956 -0.214 19045 4431 1 6 . 1 1 127 127 ARG CA C 127 59.551 59.551 58.851 0.700 19045 4432 1 6 . 1 1 127 127 ARG CB C 127 31.163 31.163 29.736 1.427 19045 4433 1 6 . 1 1 127 127 ARG H H 127 8.616 8.616 7.364 1.252 19045 4434 1 6 . 1 1 128 128 VAL N N 128 120.289 120.289 120.283 0.006 19045 4435 1 6 . 1 1 128 128 VAL HA H 128 3.662 3.662 4.020 -0.358 19045 4436 1 6 . 1 1 128 128 VAL CA C 128 68.387 68.387 67.020 1.367 19045 4437 1 6 . 1 1 128 128 VAL CB C 128 31.127 31.127 31.573 -0.446 19045 4438 1 6 . 1 1 128 128 VAL H H 128 7.762 7.762 7.997 -0.235 19045 4439 1 6 . 1 1 129 129 VAL N N 129 119.577 119.577 117.072 2.505 19045 4440 1 6 . 1 1 129 129 VAL HA H 129 3.449 3.449 3.634 -0.185 19045 4441 1 6 . 1 1 129 129 VAL CA C 129 67.772 67.772 66.439 1.333 19045 4442 1 6 . 1 1 129 129 VAL CB C 129 30.918 30.918 30.385 0.533 19045 4443 1 6 . 1 1 129 129 VAL H H 129 8.433 8.433 8.245 0.188 19045 4444 1 6 . 1 1 130 130 ALA N N 130 123.330 123.330 123.688 -0.358 19045 4445 1 6 . 1 1 130 130 ALA HA H 130 4.069 4.069 4.090 -0.021 19045 4446 1 6 . 1 1 130 130 ALA CA C 130 54.978 54.978 55.262 -0.284 19045 4447 1 6 . 1 1 130 130 ALA CB C 130 17.446 17.446 18.317 -0.871 19045 4448 1 6 . 1 1 130 130 ALA H H 130 8.766 8.766 7.997 0.769 19045 4449 1 6 . 1 1 131 131 LEU N N 131 120.040 120.040 119.867 0.173 19045 4450 1 6 . 1 1 131 131 LEU HA H 131 3.961 3.961 4.498 -0.537 19045 4451 1 6 . 1 1 131 131 LEU CA C 131 58.353 58.353 58.211 0.142 19045 4452 1 6 . 1 1 131 131 LEU CB C 131 40.750 40.750 42.456 -1.706 19045 4453 1 6 . 1 1 131 131 LEU H H 131 8.178 8.178 7.945 0.233 19045 4454 1 6 . 1 1 132 132 LEU N N 132 119.150 119.150 117.135 2.015 19045 4455 1 6 . 1 1 132 132 LEU HA H 132 3.952 3.952 4.167 -0.215 19045 4456 1 6 . 1 1 132 132 LEU CA C 132 58.620 58.620 57.482 1.138 19045 4457 1 6 . 1 1 132 132 LEU CB C 132 38.835 38.835 40.790 -1.955 19045 4458 1 6 . 1 1 132 132 LEU H H 132 7.927 7.927 7.583 0.344 19045 4459 1 6 . 1 1 133 133 GLY N N 133 107.066 107.066 108.481 -1.415 19045 4460 1 6 . 1 1 133 133 GLY CA C 133 48.339 48.339 47.769 0.570 19045 4461 1 6 . 1 1 133 133 GLY H H 133 8.752 8.752 8.334 0.418 19045 4462 1 6 . 1 1 134 134 PHE N N 134 123.521 123.521 121.362 2.159 19045 4463 1 6 . 1 1 134 134 PHE HA H 134 4.601 4.601 4.593 0.008 19045 4464 1 6 . 1 1 134 134 PHE CA C 134 59.884 59.884 58.879 1.005 19045 4465 1 6 . 1 1 134 134 PHE CB C 134 38.622 38.622 38.252 0.370 19045 4466 1 6 . 1 1 134 134 PHE H H 134 8.606 8.606 8.444 0.162 19045 4467 1 6 . 1 1 135 135 GLY N N 135 106.412 106.412 108.913 -2.501 19045 4468 1 6 . 1 1 135 135 GLY CA C 135 47.731 47.731 47.038 0.693 19045 4469 1 6 . 1 1 135 135 GLY H H 135 8.715 8.715 7.647 1.068 19045 4470 1 6 . 1 1 136 136 TYR N N 136 121.461 121.461 122.822 -1.361 19045 4471 1 6 . 1 1 136 136 TYR HA H 136 4.116 4.116 4.160 -0.044 19045 4472 1 6 . 1 1 136 136 TYR CA C 136 61.564 61.564 61.006 0.558 19045 4473 1 6 . 1 1 136 136 TYR CB C 136 38.469 38.469 38.382 0.087 19045 4474 1 6 . 1 1 136 136 TYR H H 136 8.809 8.809 8.030 0.779 19045 4475 1 6 . 1 1 137 137 ARG N N 137 117.518 117.518 118.207 -0.689 19045 4476 1 6 . 1 1 137 137 ARG HA H 137 3.647 3.647 3.751 -0.104 19045 4477 1 6 . 1 1 137 137 ARG CA C 137 58.904 58.904 59.533 -0.630 19045 4478 1 6 . 1 1 137 137 ARG CB C 137 29.189 29.189 30.129 -0.940 19045 4479 1 6 . 1 1 137 137 ARG H H 137 8.646 8.646 7.752 0.894 19045 4480 1 6 . 1 1 138 138 LEU N N 138 121.658 121.658 119.333 2.325 19045 4481 1 6 . 1 1 138 138 LEU HA H 138 3.905 3.905 4.157 -0.252 19045 4482 1 6 . 1 1 138 138 LEU CA C 138 58.454 58.454 58.052 0.402 19045 4483 1 6 . 1 1 138 138 LEU CB C 138 41.801 41.801 42.110 -0.309 19045 4484 1 6 . 1 1 138 138 LEU H H 138 9.065 9.065 8.093 0.972 19045 4485 1 6 . 1 1 139 139 ALA N N 139 120.012 120.012 119.624 0.388 19045 4486 1 6 . 1 1 139 139 ALA HA H 139 4.004 4.004 4.441 -0.437 19045 4487 1 6 . 1 1 139 139 ALA CA C 139 55.174 55.174 54.503 0.671 19045 4488 1 6 . 1 1 139 139 ALA CB C 139 17.943 17.943 19.284 -1.341 19045 4489 1 6 . 1 1 139 139 ALA H H 139 8.237 8.237 7.790 0.447 19045 4490 1 6 . 1 1 140 140 LEU N N 140 119.522 119.522 118.485 1.037 19045 4491 1 6 . 1 1 140 140 LEU HA H 140 4.000 4.000 4.132 -0.132 19045 4492 1 6 . 1 1 140 140 LEU CA C 140 57.805 57.805 56.930 0.875 19045 4493 1 6 . 1 1 140 140 LEU CB C 140 42.324 42.324 42.067 0.257 19045 4494 1 6 . 1 1 140 140 LEU H H 140 8.191 8.191 7.935 0.256 19045 4495 1 6 . 1 1 141 141 HIS N N 141 117.834 117.834 116.250 1.584 19045 4496 1 6 . 1 1 141 141 HIS HA H 141 4.183 4.183 4.671 -0.488 19045 4497 1 6 . 1 1 141 141 HIS CA C 141 60.960 60.960 58.188 2.772 19045 4498 1 6 . 1 1 141 141 HIS CB C 141 31.708 31.708 30.603 1.105 19045 4499 1 6 . 1 1 141 141 HIS H H 141 8.253 8.253 8.147 0.106 19045 4500 1 6 . 1 1 142 142 VAL N N 142 113.700 113.700 113.864 -0.164 19045 4501 1 6 . 1 1 142 142 VAL HA H 142 3.887 3.887 4.418 -0.531 19045 4502 1 6 . 1 1 142 142 VAL CA C 142 65.948 65.948 62.801 3.147 19045 4503 1 6 . 1 1 142 142 VAL CB C 142 30.264 30.264 33.532 -3.268 19045 4504 1 6 . 1 1 142 142 VAL H H 142 8.455 8.455 7.343 1.112 19045 4505 1 6 . 1 1 143 143 TYR N N 143 123.307 123.307 120.891 2.416 19045 4506 1 6 . 1 1 143 143 TYR HA H 143 4.320 4.320 4.186 0.134 19045 4507 1 6 . 1 1 143 143 TYR CA C 143 61.934 61.934 60.812 1.122 19045 4508 1 6 . 1 1 143 143 TYR CB C 143 38.779 38.779 37.208 1.571 19045 4509 1 6 . 1 1 143 143 TYR H H 143 7.750 7.750 8.394 -0.644 19045 4510 1 6 . 1 1 144 144 GLN N N 144 118.560 118.560 117.124 1.436 19045 4511 1 6 . 1 1 144 144 GLN HA H 144 3.686 3.686 3.404 0.282 19045 4512 1 6 . 1 1 144 144 GLN CA C 144 58.055 58.055 57.579 0.476 19045 4513 1 6 . 1 1 144 144 GLN CB C 144 27.859 27.859 28.095 -0.236 19045 4514 1 6 . 1 1 144 144 GLN H H 144 8.486 8.486 8.135 0.351 19045 4515 1 6 . 1 1 145 145 HIS N N 145 114.312 114.312 117.616 -3.304 19045 4516 1 6 . 1 1 145 145 HIS HA H 145 4.330 4.330 4.389 -0.059 19045 4517 1 6 . 1 1 145 145 HIS CA C 145 56.178 56.178 56.662 -0.484 19045 4518 1 6 . 1 1 145 145 HIS CB C 145 27.751 27.751 30.960 -3.209 19045 4519 1 6 . 1 1 145 145 HIS H H 145 7.350 7.350 7.720 -0.370 19045 4520 1 6 . 1 1 146 146 GLY N N 146 106.537 106.537 107.359 -0.822 19045 4521 1 6 . 1 1 146 146 GLY CA C 146 45.715 45.715 44.747 0.968 19045 4522 1 6 . 1 1 146 146 GLY H H 146 7.471 7.471 7.412 0.059 19045 4523 1 6 . 1 1 147 147 LEU N N 147 123.302 123.302 119.679 3.623 19045 4524 1 6 . 1 1 147 147 LEU HA H 147 4.496 4.496 4.500 -0.004 19045 4525 1 6 . 1 1 147 147 LEU CA C 147 54.259 54.259 54.129 0.130 19045 4526 1 6 . 1 1 147 147 LEU CB C 147 41.033 41.033 42.652 -1.619 19045 4527 1 6 . 1 1 147 147 LEU H H 147 7.933 7.933 7.611 0.322 19045 4528 1 6 . 1 1 148 148 THR HA H 148 4.523 4.523 4.268 0.255 19045 4529 1 6 . 1 1 148 148 THR CA C 148 61.027 61.027 63.593 -2.566 19045 4530 1 6 . 1 1 148 148 THR CB C 148 70.359 70.359 68.751 1.608 19045 4531 1 6 . 1 1 149 149 GLY CA C 149 47.016 47.016 44.887 2.129 19045 4532 1 6 . 1 1 149 149 GLY H H 149 8.458 8.458 8.585 -0.127 19045 4533 1 6 . 1 1 150 150 PHE N N 150 123.408 123.408 120.231 3.177 19045 4534 1 6 . 1 1 150 150 PHE HA H 150 4.555 4.555 4.766 -0.211 19045 4535 1 6 . 1 1 150 150 PHE CA C 150 57.964 57.964 56.483 1.481 19045 4536 1 6 . 1 1 150 150 PHE CB C 150 42.911 42.911 40.038 2.873 19045 4537 1 6 . 1 1 150 150 PHE H H 150 9.331 9.331 8.050 1.281 19045 4538 1 6 . 1 1 151 151 LEU N N 151 123.032 123.032 120.965 2.067 19045 4539 1 6 . 1 1 151 151 LEU HA H 151 3.859 3.859 3.995 -0.136 19045 4540 1 6 . 1 1 151 151 LEU CA C 151 58.454 58.454 58.419 0.035 19045 4541 1 6 . 1 1 151 151 LEU CB C 151 40.948 40.948 40.264 0.684 19045 4542 1 6 . 1 1 151 151 LEU H H 151 8.470 8.470 7.953 0.517 19045 4543 1 6 . 1 1 152 152 GLY N N 152 108.386 108.386 104.599 3.787 19045 4544 1 6 . 1 1 152 152 GLY CA C 152 46.676 46.676 47.160 -0.484 19045 4545 1 6 . 1 1 152 152 GLY H H 152 8.577 8.577 8.452 0.125 19045 4546 1 6 . 1 1 153 153 GLN N N 153 122.055 122.055 120.570 1.485 19045 4547 1 6 . 1 1 153 153 GLN HA H 153 3.532 3.532 3.568 -0.036 19045 4548 1 6 . 1 1 153 153 GLN CA C 153 57.844 57.844 58.628 -0.784 19045 4549 1 6 . 1 1 153 153 GLN CB C 153 26.442 26.442 27.757 -1.315 19045 4550 1 6 . 1 1 153 153 GLN H H 153 7.106 7.106 7.638 -0.532 19045 4551 1 6 . 1 1 154 154 VAL N N 154 116.706 116.706 119.096 -2.390 19045 4552 1 6 . 1 1 154 154 VAL HA H 154 2.428 2.428 3.534 -1.106 19045 4553 1 6 . 1 1 154 154 VAL CA C 154 66.089 66.089 66.346 -0.257 19045 4554 1 6 . 1 1 154 154 VAL CB C 154 31.463 31.463 30.768 0.695 19045 4555 1 6 . 1 1 154 154 VAL H H 154 7.033 7.033 8.248 -1.215 19045 4556 1 6 . 1 1 155 155 THR N N 155 114.165 114.165 115.190 -1.025 19045 4557 1 6 . 1 1 155 155 THR HA H 155 3.317 3.317 3.108 0.209 19045 4558 1 6 . 1 1 155 155 THR CA C 155 67.050 67.050 66.467 0.583 19045 4559 1 6 . 1 1 155 155 THR CB C 155 68.307 68.307 68.133 0.174 19045 4560 1 6 . 1 1 155 155 THR H H 155 7.860 7.860 8.001 -0.141 19045 4561 1 6 . 1 1 156 156 ARG N N 156 119.890 119.890 121.018 -1.128 19045 4562 1 6 . 1 1 156 156 ARG HA H 156 3.769 3.769 3.900 -0.131 19045 4563 1 6 . 1 1 156 156 ARG CA C 156 58.769 58.769 58.421 0.348 19045 4564 1 6 . 1 1 156 156 ARG CB C 156 28.693 28.693 29.069 -0.376 19045 4565 1 6 . 1 1 156 156 ARG H H 156 7.019 7.019 7.742 -0.723 19045 4566 1 6 . 1 1 157 157 PHE N N 157 118.242 118.242 120.207 -1.965 19045 4567 1 6 . 1 1 157 157 PHE HA H 157 4.426 4.426 4.254 0.172 19045 4568 1 6 . 1 1 157 157 PHE CA C 157 56.928 56.928 61.517 -4.589 19045 4569 1 6 . 1 1 157 157 PHE CB C 157 35.794 35.794 38.146 -2.352 19045 4570 1 6 . 1 1 157 157 PHE H H 157 8.030 8.030 8.241 -0.211 19045 4571 1 6 . 1 1 158 158 VAL N N 158 118.961 118.961 119.009 -0.048 19045 4572 1 6 . 1 1 158 158 VAL HA H 158 3.425 3.425 3.982 -0.557 19045 4573 1 6 . 1 1 158 158 VAL CA C 158 67.288 67.288 66.733 0.555 19045 4574 1 6 . 1 1 158 158 VAL CB C 158 31.554 31.554 30.851 0.703 19045 4575 1 6 . 1 1 158 158 VAL H H 158 7.607 7.607 7.945 -0.338 19045 4576 1 6 . 1 1 159 159 VAL N N 159 119.773 119.773 120.361 -0.588 19045 4577 1 6 . 1 1 159 159 VAL HA H 159 3.358 3.358 3.668 -0.310 19045 4578 1 6 . 1 1 159 159 VAL CA C 159 67.570 67.570 66.315 1.255 19045 4579 1 6 . 1 1 159 159 VAL CB C 159 32.355 32.355 31.479 0.876 19045 4580 1 6 . 1 1 159 159 VAL H H 159 8.039 8.039 7.828 0.211 19045 4581 1 6 . 1 1 160 160 ASP N N 160 118.382 118.382 121.229 -2.847 19045 4582 1 6 . 1 1 160 160 ASP HA H 160 4.293 4.293 4.342 -0.049 19045 4583 1 6 . 1 1 160 160 ASP CA C 160 57.567 57.567 57.990 -0.423 19045 4584 1 6 . 1 1 160 160 ASP CB C 160 41.474 41.474 40.641 0.833 19045 4585 1 6 . 1 1 160 160 ASP H H 160 8.752 8.752 8.321 0.431 19045 4586 1 6 . 1 1 161 161 PHE N N 161 119.972 119.972 120.629 -0.657 19045 4587 1 6 . 1 1 161 161 PHE HA H 161 4.175 4.175 4.347 -0.172 19045 4588 1 6 . 1 1 161 161 PHE CA C 161 62.688 62.688 60.872 1.816 19045 4589 1 6 . 1 1 161 161 PHE CB C 161 39.789 39.789 39.464 0.326 19045 4590 1 6 . 1 1 161 161 PHE H H 161 8.558 8.558 8.327 0.231 19045 4591 1 6 . 1 1 162 162 MET N N 162 116.261 116.261 121.052 -4.791 19045 4592 1 6 . 1 1 162 162 MET HA H 162 3.702 3.702 3.833 -0.131 19045 4593 1 6 . 1 1 162 162 MET CA C 162 59.342 59.342 59.231 0.111 19045 4594 1 6 . 1 1 162 162 MET CB C 162 32.081 32.081 32.765 -0.684 19045 4595 1 6 . 1 1 162 162 MET H H 162 8.597 8.597 8.169 0.428 19045 4596 1 6 . 1 1 163 163 LEU N N 163 119.069 119.069 114.180 4.889 19045 4597 1 6 . 1 1 163 163 LEU HA H 163 3.952 3.952 4.093 -0.141 19045 4598 1 6 . 1 1 163 163 LEU CA C 163 57.856 57.856 55.518 2.338 19045 4599 1 6 . 1 1 163 163 LEU CB C 163 42.236 42.236 41.839 0.397 19045 4600 1 6 . 1 1 163 163 LEU H H 163 8.291 8.291 7.818 0.473 19045 4601 1 6 . 1 1 164 164 HIS N N 164 113.591 113.591 115.985 -2.394 19045 4602 1 6 . 1 1 164 164 HIS HA H 164 4.430 4.430 4.659 -0.229 19045 4603 1 6 . 1 1 164 164 HIS CA C 164 57.289 57.289 55.889 1.400 19045 4604 1 6 . 1 1 164 164 HIS CB C 164 28.766 28.766 30.003 -1.237 19045 4605 1 6 . 1 1 164 164 HIS H H 164 8.111 8.111 7.435 0.676 19045 4606 1 6 . 1 1 165 165 HIS N N 165 115.730 115.730 117.698 -1.968 19045 4607 1 6 . 1 1 165 165 HIS HA H 165 4.602 4.602 4.570 0.032 19045 4608 1 6 . 1 1 165 165 HIS CA C 165 54.752 54.752 55.783 -1.031 19045 4609 1 6 . 1 1 165 165 HIS CB C 165 26.766 26.766 29.709 -2.942 19045 4610 1 6 . 1 1 165 165 HIS H H 165 7.789 7.789 7.585 0.204 19045 4611 1 6 . 1 1 166 166 CYS N N 166 109.533 109.533 116.881 -7.348 19045 4612 1 6 . 1 1 166 166 CYS HA H 166 4.274 4.274 3.977 0.297 19045 4613 1 6 . 1 1 166 166 CYS CA C 166 61.452 61.452 60.456 0.996 19045 4614 1 6 . 1 1 166 166 CYS CB C 166 25.215 25.215 26.745 -1.530 19045 4615 1 6 . 1 1 166 166 CYS H H 166 7.761 7.761 8.449 -0.688 19045 4616 1 6 . 1 1 167 167 ILE N N 167 119.980 119.980 119.865 0.115 19045 4617 1 6 . 1 1 167 167 ILE HA H 167 3.563 3.563 3.879 -0.316 19045 4618 1 6 . 1 1 167 167 ILE CA C 167 62.212 62.212 62.619 -0.407 19045 4619 1 6 . 1 1 167 167 ILE CB C 167 35.969 35.969 36.343 -0.374 19045 4620 1 6 . 1 1 167 167 ILE H H 167 7.574 7.574 7.589 -0.015 19045 4621 1 6 . 1 1 168 168 ALA N N 168 121.737 121.737 123.735 -1.998 19045 4622 1 6 . 1 1 168 168 ALA HA H 168 3.775 3.775 3.946 -0.171 19045 4623 1 6 . 1 1 168 168 ALA CA C 168 55.082 55.082 55.471 -0.389 19045 4624 1 6 . 1 1 168 168 ALA CB C 168 16.505 16.505 17.883 -1.378 19045 4625 1 6 . 1 1 168 168 ALA H H 168 7.935 7.935 7.727 0.208 19045 4626 1 6 . 1 1 169 169 ARG N N 169 118.369 118.369 118.687 -0.318 19045 4627 1 6 . 1 1 169 169 ARG HA H 169 3.550 3.550 3.994 -0.444 19045 4628 1 6 . 1 1 169 169 ARG CA C 169 59.581 59.581 59.510 0.071 19045 4629 1 6 . 1 1 169 169 ARG CB C 169 29.380 29.380 29.785 -0.405 19045 4630 1 6 . 1 1 169 169 ARG H H 169 7.936 7.936 8.522 -0.586 19045 4631 1 6 . 1 1 170 170 TRP N N 170 121.173 121.173 121.054 0.119 19045 4632 1 6 . 1 1 170 170 TRP HA H 170 3.763 3.763 4.198 -0.435 19045 4633 1 6 . 1 1 170 170 TRP CA C 170 62.080 62.080 60.918 1.162 19045 4634 1 6 . 1 1 170 170 TRP CB C 170 29.423 29.423 29.258 0.165 19045 4635 1 6 . 1 1 170 170 TRP H H 170 7.259 7.259 7.391 -0.132 19045 4636 1 6 . 1 1 171 171 ILE N N 171 117.994 117.994 118.653 -0.659 19045 4637 1 6 . 1 1 171 171 ILE HA H 171 2.864 2.864 2.929 -0.065 19045 4638 1 6 . 1 1 171 171 ILE CA C 171 65.347 65.347 64.857 0.490 19045 4639 1 6 . 1 1 171 171 ILE CB C 171 37.781 37.781 37.482 0.299 19045 4640 1 6 . 1 1 171 171 ILE H H 171 8.074 8.074 8.170 -0.096 19045 4641 1 6 . 1 1 172 172 ALA N N 172 123.588 123.588 120.875 2.713 19045 4642 1 6 . 1 1 172 172 ALA HA H 172 3.506 3.506 3.892 -0.386 19045 4643 1 6 . 1 1 172 172 ALA CA C 172 55.685 55.685 54.919 0.766 19045 4644 1 6 . 1 1 172 172 ALA CB C 172 17.050 17.050 18.303 -1.253 19045 4645 1 6 . 1 1 172 172 ALA H H 172 8.511 8.511 7.889 0.622 19045 4646 1 6 . 1 1 173 173 GLN N N 173 117.382 117.382 115.985 1.397 19045 4647 1 6 . 1 1 173 173 GLN HA H 173 3.854 3.854 3.969 -0.115 19045 4648 1 6 . 1 1 173 173 GLN CA C 173 57.904 57.904 57.632 0.272 19045 4649 1 6 . 1 1 173 173 GLN CB C 173 28.141 28.141 28.671 -0.530 19045 4650 1 6 . 1 1 173 173 GLN H H 173 7.898 7.898 7.634 0.264 19045 4651 1 6 . 1 1 174 174 ARG N N 174 116.800 116.800 116.125 0.675 19045 4652 1 6 . 1 1 174 174 ARG HA H 174 4.097 4.097 4.071 0.026 19045 4653 1 6 . 1 1 174 174 ARG CA C 174 55.395 55.395 55.937 -0.542 19045 4654 1 6 . 1 1 174 174 ARG CB C 174 29.652 29.652 30.169 -0.517 19045 4655 1 6 . 1 1 174 174 ARG H H 174 6.984 6.984 7.413 -0.429 19045 4656 1 6 . 1 1 175 175 GLY N N 175 104.194 104.194 105.052 -0.858 19045 4657 1 6 . 1 1 175 175 GLY CA C 175 44.340 44.340 44.536 -0.196 19045 4658 1 6 . 1 1 175 175 GLY H H 175 7.418 7.418 7.088 0.330 19045 4659 1 6 . 1 1 176 176 GLY N N 176 107.629 107.629 107.744 -0.115 19045 4660 1 6 . 1 1 176 176 GLY CA C 176 43.501 43.501 44.715 -1.214 19045 4661 1 6 . 1 1 176 176 GLY H H 176 8.072 8.072 7.656 0.416 19045 4662 1 6 . 1 1 177 177 TRP N N 177 117.887 117.887 121.771 -3.884 19045 4663 1 6 . 1 1 177 177 TRP HA H 177 4.476 4.476 4.564 -0.088 19045 4664 1 6 . 1 1 177 177 TRP CA C 177 61.083 61.083 60.506 0.577 19045 4665 1 6 . 1 1 177 177 TRP CB C 177 30.927 30.927 29.339 1.588 19045 4666 1 6 . 1 1 177 177 TRP H H 177 8.218 8.218 8.884 -0.666 19045 4667 1 6 . 1 1 178 178 VAL N N 178 112.929 112.929 118.766 -5.837 19045 4668 1 6 . 1 1 178 178 VAL HA H 178 3.688 3.688 3.828 -0.140 19045 4669 1 6 . 1 1 178 178 VAL CA C 178 64.680 64.680 64.770 -0.090 19045 4670 1 6 . 1 1 178 178 VAL CB C 178 31.057 31.057 31.064 -0.007 19045 4671 1 6 . 1 1 178 178 VAL H H 178 8.284 8.284 7.961 0.323 19045 4672 1 6 . 1 1 179 179 ALA N N 179 125.101 125.101 121.770 3.331 19045 4673 1 6 . 1 1 179 179 ALA HA H 179 4.009 4.009 4.415 -0.406 19045 4674 1 6 . 1 1 179 179 ALA CA C 179 54.344 54.344 53.483 0.861 19045 4675 1 6 . 1 1 179 179 ALA CB C 179 18.555 18.555 18.553 0.002 19045 4676 1 6 . 1 1 179 179 ALA H H 179 7.670 7.670 8.277 -0.607 19045 4677 1 6 . 1 1 180 180 ALA N N 180 119.081 119.081 121.648 -2.567 19045 4678 1 6 . 1 1 180 180 ALA HA H 180 3.293 3.293 3.978 -0.685 19045 4679 1 6 . 1 1 180 180 ALA CA C 180 52.783 52.783 53.537 -0.754 19045 4680 1 6 . 1 1 180 180 ALA CB C 180 18.113 18.113 18.333 -0.220 19045 4681 1 6 . 1 1 180 180 ALA H H 180 8.058 8.058 7.589 0.469 19045 4682 1 6 . 1 1 181 181 LEU N N 181 114.169 114.169 114.047 0.122 19045 4683 1 6 . 1 1 181 181 LEU HA H 181 3.911 3.911 4.244 -0.333 19045 4684 1 6 . 1 1 181 181 LEU CA C 181 56.128 56.128 56.814 -0.686 19045 4685 1 6 . 1 1 181 181 LEU CB C 181 40.955 40.955 41.685 -0.730 19045 4686 1 6 . 1 1 181 181 LEU H H 181 7.342 7.342 7.533 -0.191 19045 4687 1 6 . 1 1 182 182 ASN N N 182 115.061 115.061 115.725 -0.664 19045 4688 1 6 . 1 1 182 182 ASN HA H 182 4.743 4.743 4.742 0.001 19045 4689 1 6 . 1 1 182 182 ASN CA C 182 52.508 52.508 52.747 -0.239 19045 4690 1 6 . 1 1 182 182 ASN CB C 182 39.091 39.091 40.166 -1.075 19045 4691 1 6 . 1 1 182 182 ASN H H 182 7.289 7.289 7.601 -0.312 19045 4692 1 6 . 1 1 183 183 LEU N N 183 119.889 119.889 120.432 -0.543 19045 4693 1 6 . 1 1 183 183 LEU HA H 183 4.125 4.125 4.054 0.071 19045 4694 1 6 . 1 1 183 183 LEU CA C 183 55.201 55.201 56.204 -1.003 19045 4695 1 6 . 1 1 183 183 LEU CB C 183 42.174 42.174 41.808 0.366 19045 4696 1 6 . 1 1 183 183 LEU H H 183 7.148 7.148 7.208 -0.060 19045 4697 1 6 . 1 1 184 184 GLY N N 184 107.883 107.883 107.161 0.722 19045 4698 1 6 . 1 1 184 184 GLY CA C 184 45.256 45.256 46.761 -1.504 19045 4699 1 6 . 1 1 184 184 GLY H H 184 8.486 8.486 8.481 0.005 19045 4700 1 6 . 1 1 185 185 ASN N N 185 118.093 118.093 122.706 -4.613 19045 4701 1 6 . 1 1 185 185 ASN HA H 185 4.755 4.755 4.889 -0.134 19045 4702 1 6 . 1 1 185 185 ASN CA C 185 52.812 52.812 52.372 0.440 19045 4703 1 6 . 1 1 185 185 ASN CB C 185 39.297 39.297 39.421 -0.124 19045 4704 1 6 . 1 1 185 185 ASN H H 185 8.074 8.074 8.463 -0.389 19045 4705 1 7 . 1 1 19 19 LEU N N 19 122.834 122.834 121.100 1.734 19045 4706 1 7 . 1 1 19 19 LEU HA H 19 4.523 4.523 4.558 -0.035 19045 4707 1 7 . 1 1 19 19 LEU CA C 19 52.690 52.690 54.065 -1.375 19045 4708 1 7 . 1 1 19 19 LEU CB C 19 41.808 41.808 40.384 1.424 19045 4709 1 7 . 1 1 19 19 LEU H H 19 8.080 8.080 8.134 -0.054 19045 4710 1 7 . 1 1 20 20 PRO HA H 20 4.353 4.353 4.559 -0.206 19045 4711 1 7 . 1 1 20 20 PRO CA C 20 62.826 62.826 62.383 0.443 19045 4712 1 7 . 1 1 20 20 PRO CB C 20 31.969 31.969 32.450 -0.481 19045 4713 1 7 . 1 1 21 21 SER N N 21 116.268 116.268 114.460 1.808 19045 4714 1 7 . 1 1 21 21 SER HA H 21 4.249 4.249 4.351 -0.102 19045 4715 1 7 . 1 1 21 21 SER CA C 21 58.338 58.338 58.002 0.336 19045 4716 1 7 . 1 1 21 21 SER CB C 21 63.856 63.856 63.467 0.389 19045 4717 1 7 . 1 1 21 21 SER H H 21 8.246 8.246 8.171 0.075 19045 4718 1 7 . 1 1 22 22 ALA N N 22 125.246 125.246 123.060 2.186 19045 4719 1 7 . 1 1 22 22 ALA HA H 22 4.405 4.405 4.435 -0.030 19045 4720 1 7 . 1 1 22 22 ALA CA C 22 52.086 52.086 51.883 0.203 19045 4721 1 7 . 1 1 22 22 ALA CB C 22 19.582 19.582 20.515 -0.933 19045 4722 1 7 . 1 1 22 22 ALA H H 22 8.192 8.192 8.230 -0.038 19045 4723 1 7 . 1 1 23 23 SER N N 23 114.236 114.236 114.257 -0.021 19045 4724 1 7 . 1 1 23 23 SER HA H 23 4.469 4.469 4.927 -0.458 19045 4725 1 7 . 1 1 23 23 SER CA C 23 57.386 57.386 56.888 0.498 19045 4726 1 7 . 1 1 23 23 SER CB C 23 64.582 64.582 65.791 -1.209 19045 4727 1 7 . 1 1 23 23 SER H H 23 8.081 8.081 8.284 -0.203 19045 4728 1 7 . 1 1 24 24 GLU N N 24 124.005 124.005 122.339 1.666 19045 4729 1 7 . 1 1 24 24 GLU HA H 24 3.534 3.534 3.928 -0.394 19045 4730 1 7 . 1 1 24 24 GLU CA C 24 59.772 59.772 59.978 -0.206 19045 4731 1 7 . 1 1 24 24 GLU CB C 24 29.798 29.798 29.056 0.742 19045 4732 1 7 . 1 1 24 24 GLU H H 24 8.702 8.702 8.985 -0.283 19045 4733 1 7 . 1 1 25 25 GLU N N 25 118.390 118.390 119.226 -0.836 19045 4734 1 7 . 1 1 25 25 GLU HA H 25 3.796 3.796 3.973 -0.177 19045 4735 1 7 . 1 1 25 25 GLU CA C 25 59.939 59.939 59.240 0.698 19045 4736 1 7 . 1 1 25 25 GLU CB C 25 29.217 29.217 28.376 0.841 19045 4737 1 7 . 1 1 25 25 GLU H H 25 8.559 8.559 8.868 -0.309 19045 4738 1 7 . 1 1 26 26 GLN N N 26 120.776 120.776 119.477 1.299 19045 4739 1 7 . 1 1 26 26 GLN HA H 26 3.916 3.916 4.217 -0.301 19045 4740 1 7 . 1 1 26 26 GLN CA C 26 58.343 58.343 58.218 0.125 19045 4741 1 7 . 1 1 26 26 GLN CB C 26 28.119 28.119 28.203 -0.084 19045 4742 1 7 . 1 1 26 26 GLN H H 26 7.764 7.764 7.723 0.041 19045 4743 1 7 . 1 1 27 27 VAL N N 27 118.723 118.723 121.478 -2.755 19045 4744 1 7 . 1 1 27 27 VAL HA H 27 3.933 3.933 3.766 0.167 19045 4745 1 7 . 1 1 27 27 VAL CA C 27 66.285 66.285 66.612 -0.327 19045 4746 1 7 . 1 1 27 27 VAL CB C 27 31.596 31.596 31.622 -0.026 19045 4747 1 7 . 1 1 27 27 VAL H H 27 8.062 8.062 8.149 -0.087 19045 4748 1 7 . 1 1 28 28 ALA N N 28 122.902 122.902 122.452 0.450 19045 4749 1 7 . 1 1 28 28 ALA HA H 28 4.026 4.026 3.960 0.066 19045 4750 1 7 . 1 1 28 28 ALA CA C 28 56.178 56.178 55.671 0.507 19045 4751 1 7 . 1 1 28 28 ALA CB C 28 18.463 18.463 18.016 0.447 19045 4752 1 7 . 1 1 28 28 ALA H H 28 8.412 8.412 8.306 0.106 19045 4753 1 7 . 1 1 29 29 GLN N N 29 117.996 117.996 118.363 -0.367 19045 4754 1 7 . 1 1 29 29 GLN HA H 29 4.084 4.084 3.917 0.167 19045 4755 1 7 . 1 1 29 29 GLN CA C 29 59.063 59.063 59.234 -0.171 19045 4756 1 7 . 1 1 29 29 GLN CB C 29 28.452 28.452 28.647 -0.195 19045 4757 1 7 . 1 1 29 29 GLN H H 29 7.900 7.900 7.845 0.055 19045 4758 1 7 . 1 1 30 30 ASP N N 30 121.907 121.907 119.985 1.922 19045 4759 1 7 . 1 1 30 30 ASP HA H 30 4.521 4.521 4.377 0.144 19045 4760 1 7 . 1 1 30 30 ASP CA C 30 57.038 57.038 57.168 -0.130 19045 4761 1 7 . 1 1 30 30 ASP CB C 30 41.939 41.939 40.392 1.547 19045 4762 1 7 . 1 1 30 30 ASP H H 30 8.888 8.888 8.269 0.619 19045 4763 1 7 . 1 1 31 31 THR N N 31 114.861 114.861 117.155 -2.294 19045 4764 1 7 . 1 1 31 31 THR HA H 31 3.493 3.493 3.356 0.137 19045 4765 1 7 . 1 1 31 31 THR CA C 31 66.946 66.946 67.421 -0.475 19045 4766 1 7 . 1 1 31 31 THR CB C 31 68.523 68.523 69.011 -0.488 19045 4767 1 7 . 1 1 31 31 THR H H 31 8.069 8.069 8.202 -0.133 19045 4768 1 7 . 1 1 32 32 GLU N N 32 120.848 120.848 120.665 0.183 19045 4769 1 7 . 1 1 32 32 GLU HA H 32 3.597 3.597 3.830 -0.233 19045 4770 1 7 . 1 1 32 32 GLU CA C 32 60.899 60.899 59.618 1.281 19045 4771 1 7 . 1 1 32 32 GLU CB C 32 28.963 28.963 28.669 0.294 19045 4772 1 7 . 1 1 32 32 GLU H H 32 7.578 7.578 8.179 -0.601 19045 4773 1 7 . 1 1 33 33 GLU N N 33 117.741 117.741 120.432 -2.691 19045 4774 1 7 . 1 1 33 33 GLU HA H 33 3.938 3.938 3.992 -0.054 19045 4775 1 7 . 1 1 33 33 GLU CA C 33 58.768 58.768 59.075 -0.307 19045 4776 1 7 . 1 1 33 33 GLU CB C 33 29.708 29.708 29.725 -0.017 19045 4777 1 7 . 1 1 33 33 GLU H H 33 7.446 7.446 7.834 -0.388 19045 4778 1 7 . 1 1 34 34 VAL N N 34 120.239 120.239 120.037 0.202 19045 4779 1 7 . 1 1 34 34 VAL HA H 34 3.108 3.108 3.530 -0.422 19045 4780 1 7 . 1 1 34 34 VAL CA C 34 66.979 66.979 66.080 0.899 19045 4781 1 7 . 1 1 34 34 VAL CB C 34 31.884 31.884 31.331 0.553 19045 4782 1 7 . 1 1 34 34 VAL H H 34 7.792 7.792 8.050 -0.258 19045 4783 1 7 . 1 1 35 35 PHE N N 35 117.559 117.559 120.645 -3.086 19045 4784 1 7 . 1 1 35 35 PHE HA H 35 4.209 4.209 4.086 0.123 19045 4785 1 7 . 1 1 35 35 PHE CA C 35 61.592 61.592 62.045 -0.454 19045 4786 1 7 . 1 1 35 35 PHE CB C 35 39.066 39.066 39.135 -0.069 19045 4787 1 7 . 1 1 35 35 PHE H H 35 8.895 8.895 8.338 0.557 19045 4788 1 7 . 1 1 36 36 ARG N N 36 116.705 116.705 118.644 -1.939 19045 4789 1 7 . 1 1 36 36 ARG HA H 36 3.555 3.555 3.847 -0.292 19045 4790 1 7 . 1 1 36 36 ARG CA C 36 59.906 59.906 60.053 -0.147 19045 4791 1 7 . 1 1 36 36 ARG CB C 36 29.654 29.654 30.018 -0.364 19045 4792 1 7 . 1 1 36 36 ARG H H 36 8.182 8.182 8.281 -0.099 19045 4793 1 7 . 1 1 37 37 SER N N 37 112.628 112.628 115.965 -3.337 19045 4794 1 7 . 1 1 37 37 SER HA H 37 4.122 4.122 4.258 -0.136 19045 4795 1 7 . 1 1 37 37 SER CA C 37 61.258 61.258 61.886 -0.628 19045 4796 1 7 . 1 1 37 37 SER CB C 37 63.089 63.089 62.882 0.207 19045 4797 1 7 . 1 1 37 37 SER H H 37 7.845 7.845 8.225 -0.380 19045 4798 1 7 . 1 1 38 38 TYR N N 38 122.458 122.458 124.067 -1.609 19045 4799 1 7 . 1 1 38 38 TYR HA H 38 3.927 3.927 4.111 -0.184 19045 4800 1 7 . 1 1 38 38 TYR CA C 38 62.006 62.006 61.303 0.703 19045 4801 1 7 . 1 1 38 38 TYR CB C 38 38.892 38.892 38.600 0.292 19045 4802 1 7 . 1 1 38 38 TYR H H 38 8.793 8.793 8.208 0.585 19045 4803 1 7 . 1 1 39 39 VAL N N 39 115.951 115.951 116.963 -1.012 19045 4804 1 7 . 1 1 39 39 VAL HA H 39 3.209 3.209 3.251 -0.042 19045 4805 1 7 . 1 1 39 39 VAL CA C 39 65.982 65.982 65.488 0.494 19045 4806 1 7 . 1 1 39 39 VAL CB C 39 30.884 30.884 30.213 0.671 19045 4807 1 7 . 1 1 39 39 VAL H H 39 8.348 8.348 7.953 0.395 19045 4808 1 7 . 1 1 40 40 PHE N N 40 119.608 119.608 122.339 -2.731 19045 4809 1 7 . 1 1 40 40 PHE HA H 40 3.915 3.915 4.111 -0.196 19045 4810 1 7 . 1 1 40 40 PHE CA C 40 61.651 61.651 61.347 0.304 19045 4811 1 7 . 1 1 40 40 PHE CB C 40 39.411 39.411 39.063 0.348 19045 4812 1 7 . 1 1 40 40 PHE H H 40 7.596 7.596 8.042 -0.446 19045 4813 1 7 . 1 1 41 41 TYR N N 41 117.686 117.686 119.043 -1.357 19045 4814 1 7 . 1 1 41 41 TYR HA H 41 3.818 3.818 3.783 0.035 19045 4815 1 7 . 1 1 41 41 TYR CA C 41 63.446 63.446 60.460 2.986 19045 4816 1 7 . 1 1 41 41 TYR CB C 41 37.528 37.528 37.839 -0.311 19045 4817 1 7 . 1 1 41 41 TYR H H 41 8.578 8.578 8.345 0.233 19045 4818 1 7 . 1 1 42 42 ARG N N 42 121.382 121.382 119.179 2.203 19045 4819 1 7 . 1 1 42 42 ARG HA H 42 3.581 3.581 3.730 -0.149 19045 4820 1 7 . 1 1 42 42 ARG CA C 42 57.999 57.999 59.705 -1.706 19045 4821 1 7 . 1 1 42 42 ARG CB C 42 26.992 26.992 30.169 -3.177 19045 4822 1 7 . 1 1 42 42 ARG H H 42 8.784 8.784 8.040 0.744 19045 4823 1 7 . 1 1 43 43 HIS N N 43 118.684 118.684 117.454 1.230 19045 4824 1 7 . 1 1 43 43 HIS HA H 43 4.291 4.291 4.272 0.019 19045 4825 1 7 . 1 1 43 43 HIS CA C 43 60.041 60.041 59.531 0.510 19045 4826 1 7 . 1 1 43 43 HIS CB C 43 27.938 27.938 29.562 -1.624 19045 4827 1 7 . 1 1 43 43 HIS H H 43 8.268 8.268 8.059 0.209 19045 4828 1 7 . 1 1 44 44 GLN N N 44 117.841 117.841 119.171 -1.330 19045 4829 1 7 . 1 1 44 44 GLN HA H 44 3.638 3.638 3.807 -0.169 19045 4830 1 7 . 1 1 44 44 GLN CA C 44 58.681 58.681 58.839 -0.158 19045 4831 1 7 . 1 1 44 44 GLN CB C 44 28.977 28.977 28.009 0.968 19045 4832 1 7 . 1 1 44 44 GLN H H 44 7.722 7.722 7.828 -0.106 19045 4833 1 7 . 1 1 45 45 GLN N N 45 117.756 117.756 118.409 -0.653 19045 4834 1 7 . 1 1 45 45 GLN HA H 45 3.932 3.932 3.906 0.026 19045 4835 1 7 . 1 1 45 45 GLN CA C 45 57.923 57.923 58.702 -0.779 19045 4836 1 7 . 1 1 45 45 GLN CB C 45 28.039 28.039 28.407 -0.368 19045 4837 1 7 . 1 1 45 45 GLN H H 45 7.808 7.808 7.530 0.278 19045 4838 1 7 . 1 1 46 46 GLU N N 46 119.876 119.876 118.863 1.013 19045 4839 1 7 . 1 1 46 46 GLU HA H 46 3.951 3.951 3.941 0.010 19045 4840 1 7 . 1 1 46 46 GLU CA C 46 58.956 58.956 59.405 -0.449 19045 4841 1 7 . 1 1 46 46 GLU CB C 46 29.166 29.166 29.311 -0.145 19045 4842 1 7 . 1 1 46 46 GLU H H 46 7.781 7.781 7.626 0.155 19045 4843 1 7 . 1 1 47 47 GLN N N 47 118.282 118.282 116.342 1.940 19045 4844 1 7 . 1 1 47 47 GLN HA H 47 3.800 3.800 4.173 -0.373 19045 4845 1 7 . 1 1 47 47 GLN CA C 47 57.892 57.892 58.089 -0.197 19045 4846 1 7 . 1 1 47 47 GLN CB C 47 28.662 28.662 29.042 -0.380 19045 4847 1 7 . 1 1 47 47 GLN H H 47 7.775 7.775 7.484 0.291 19045 4848 1 7 . 1 1 48 48 GLU N N 48 118.519 118.519 118.247 0.272 19045 4849 1 7 . 1 1 48 48 GLU HA H 48 4.009 4.009 4.121 -0.112 19045 4850 1 7 . 1 1 48 48 GLU CA C 48 57.586 57.586 58.238 -0.652 19045 4851 1 7 . 1 1 48 48 GLU CB C 48 28.922 28.922 29.821 -0.899 19045 4852 1 7 . 1 1 48 48 GLU H H 48 7.721 7.721 7.598 0.123 19045 4853 1 7 . 1 1 49 49 ALA N N 49 121.657 121.657 122.029 -0.372 19045 4854 1 7 . 1 1 49 49 ALA HA H 49 4.140 4.140 4.162 -0.022 19045 4855 1 7 . 1 1 49 49 ALA CA C 49 53.389 53.389 53.798 -0.409 19045 4856 1 7 . 1 1 49 49 ALA CB C 49 19.111 19.111 19.220 -0.109 19045 4857 1 7 . 1 1 49 49 ALA H H 49 7.675 7.675 7.803 -0.128 19045 4858 1 7 . 1 1 50 50 GLU N N 50 116.803 116.803 117.432 -0.629 19045 4859 1 7 . 1 1 50 50 GLU HA H 50 4.182 4.182 4.486 -0.304 19045 4860 1 7 . 1 1 50 50 GLU CA C 50 56.420 56.420 54.745 1.675 19045 4861 1 7 . 1 1 50 50 GLU CB C 50 29.798 29.798 32.038 -2.240 19045 4862 1 7 . 1 1 50 50 GLU H H 50 8.106 8.106 7.762 0.344 19045 4863 1 7 . 1 1 51 51 GLY N N 51 109.812 109.812 107.172 2.640 19045 4864 1 7 . 1 1 51 51 GLY CA C 51 45.739 45.739 44.799 0.940 19045 4865 1 7 . 1 1 51 51 GLY H H 51 8.060 8.060 8.448 -0.388 19045 4866 1 7 . 1 1 52 52 VAL N N 52 118.668 118.668 117.200 1.468 19045 4867 1 7 . 1 1 52 52 VAL HA H 52 4.001 4.001 4.515 -0.514 19045 4868 1 7 . 1 1 52 52 VAL CA C 52 62.175 62.175 60.453 1.722 19045 4869 1 7 . 1 1 52 52 VAL CB C 52 32.294 32.294 34.609 -2.315 19045 4870 1 7 . 1 1 52 52 VAL H H 52 7.718 7.718 7.515 0.203 19045 4871 1 7 . 1 1 53 53 ALA N N 53 125.624 125.624 123.992 1.632 19045 4872 1 7 . 1 1 53 53 ALA HA H 53 4.220 4.220 4.062 0.158 19045 4873 1 7 . 1 1 53 53 ALA CA C 53 51.869 51.869 52.779 -0.910 19045 4874 1 7 . 1 1 53 53 ALA CB C 53 19.065 19.065 17.697 1.368 19045 4875 1 7 . 1 1 53 53 ALA H H 53 8.073 8.073 8.576 -0.503 19045 4876 1 7 . 1 1 54 54 ALA N N 54 123.638 123.638 122.015 1.623 19045 4877 1 7 . 1 1 54 54 ALA HA H 54 4.472 4.472 4.814 -0.342 19045 4878 1 7 . 1 1 54 54 ALA CA C 54 49.869 49.869 49.915 -0.046 19045 4879 1 7 . 1 1 54 54 ALA CB C 54 18.488 18.488 19.521 -1.033 19045 4880 1 7 . 1 1 54 54 ALA H H 54 7.718 7.718 7.879 -0.161 19045 4881 1 7 . 1 1 55 55 PRO HA H 55 4.292 4.292 4.551 -0.259 19045 4882 1 7 . 1 1 55 55 PRO CA C 55 62.966 62.966 63.180 -0.214 19045 4883 1 7 . 1 1 55 55 PRO CB C 55 31.754 31.754 32.354 -0.600 19045 4884 1 7 . 1 1 56 56 ALA N N 56 124.218 124.218 124.106 0.112 19045 4885 1 7 . 1 1 56 56 ALA HA H 56 4.220 4.220 4.390 -0.170 19045 4886 1 7 . 1 1 56 56 ALA CB C 56 19.119 19.119 19.940 -0.821 19045 4887 1 7 . 1 1 56 56 ALA H H 56 8.259 8.259 8.127 0.132 19045 4888 1 7 . 1 1 57 57 ASP N N 57 120.884 120.884 119.976 0.908 19045 4889 1 7 . 1 1 57 57 ASP HA H 57 4.572 4.572 4.606 -0.034 19045 4890 1 7 . 1 1 57 57 ASP CA C 57 52.742 52.742 54.079 -1.337 19045 4891 1 7 . 1 1 57 57 ASP CB C 57 41.642 41.642 40.920 0.722 19045 4892 1 7 . 1 1 57 57 ASP H H 57 7.829 7.829 8.299 -0.470 19045 4893 1 7 . 1 1 58 58 PRO HA H 58 4.052 4.052 4.399 -0.347 19045 4894 1 7 . 1 1 58 58 PRO CA C 58 64.128 64.128 63.072 1.056 19045 4895 1 7 . 1 1 58 58 PRO CB C 58 31.989 31.989 32.040 -0.051 19045 4896 1 7 . 1 1 59 59 GLU HA H 59 4.549 4.549 4.366 0.183 19045 4897 1 7 . 1 1 59 59 GLU CA C 59 54.266 54.266 55.489 -1.223 19045 4898 1 7 . 1 1 59 59 GLU CB C 59 29.285 29.285 31.476 -2.191 19045 4899 1 7 . 1 1 60 60 MET HA H 60 3.846 3.846 4.200 -0.354 19045 4900 1 7 . 1 1 60 60 MET CA C 60 57.219 57.219 58.358 -1.139 19045 4901 1 7 . 1 1 60 60 MET CB C 60 31.894 31.894 32.339 -0.445 19045 4902 1 7 . 1 1 60 60 MET H H 60 7.070 7.070 8.589 -1.519 19045 4903 1 7 . 1 1 61 61 VAL N N 61 113.014 113.014 118.788 -5.774 19045 4904 1 7 . 1 1 61 61 VAL HA H 61 4.051 4.051 3.974 0.077 19045 4905 1 7 . 1 1 61 61 VAL CA C 61 62.799 62.799 63.670 -0.871 19045 4906 1 7 . 1 1 61 61 VAL CB C 61 31.993 31.993 31.467 0.526 19045 4907 1 7 . 1 1 61 61 VAL H H 61 6.833 6.833 8.242 -1.409 19045 4908 1 7 . 1 1 62 62 THR N N 62 110.188 110.188 111.837 -1.649 19045 4909 1 7 . 1 1 62 62 THR HA H 62 4.230 4.230 3.873 0.357 19045 4910 1 7 . 1 1 62 62 THR CA C 62 60.947 60.947 62.765 -1.818 19045 4911 1 7 . 1 1 62 62 THR CB C 62 69.192 69.192 68.441 0.751 19045 4912 1 7 . 1 1 62 62 THR H H 62 7.101 7.101 7.355 -0.254 19045 4913 1 7 . 1 1 63 63 LEU N N 63 125.158 125.158 123.591 1.567 19045 4914 1 7 . 1 1 63 63 LEU HA H 63 4.205 4.205 4.611 -0.406 19045 4915 1 7 . 1 1 63 63 LEU CA C 63 52.688 52.688 51.920 0.768 19045 4916 1 7 . 1 1 63 63 LEU CB C 63 42.252 42.252 41.931 0.321 19045 4917 1 7 . 1 1 63 63 LEU H H 63 7.079 7.079 8.174 -1.095 19045 4918 1 7 . 1 1 64 64 PRO HA H 64 4.282 4.282 4.429 -0.147 19045 4919 1 7 . 1 1 64 64 PRO CA C 64 62.613 62.613 62.460 0.153 19045 4920 1 7 . 1 1 64 64 PRO CB C 64 30.705 30.705 30.445 0.260 19045 4921 1 7 . 1 1 65 65 LEU N N 65 122.384 122.384 123.751 -1.367 19045 4922 1 7 . 1 1 65 65 LEU HA H 65 4.234 4.234 4.311 -0.077 19045 4923 1 7 . 1 1 65 65 LEU CA C 65 54.499 54.499 55.180 -0.681 19045 4924 1 7 . 1 1 65 65 LEU CB C 65 43.438 43.438 43.347 0.091 19045 4925 1 7 . 1 1 65 65 LEU H H 65 7.653 7.653 7.698 -0.045 19045 4926 1 7 . 1 1 66 66 GLN N N 66 121.802 121.802 122.993 -1.191 19045 4927 1 7 . 1 1 66 66 GLN HA H 66 4.209 4.209 4.787 -0.578 19045 4928 1 7 . 1 1 66 66 GLN CA C 66 52.783 52.783 52.773 0.010 19045 4929 1 7 . 1 1 66 66 GLN CB C 66 28.136 28.136 28.813 -0.677 19045 4930 1 7 . 1 1 66 66 GLN H H 66 8.634 8.634 8.782 -0.148 19045 4931 1 7 . 1 1 67 67 PRO HA H 67 4.139 4.139 4.485 -0.346 19045 4932 1 7 . 1 1 67 67 PRO CA C 67 64.488 64.488 64.014 0.474 19045 4933 1 7 . 1 1 67 67 PRO CB C 67 32.003 32.003 31.797 0.206 19045 4934 1 7 . 1 1 68 68 SER N N 68 111.024 111.024 113.290 -2.266 19045 4935 1 7 . 1 1 68 68 SER HA H 68 4.313 4.313 4.612 -0.299 19045 4936 1 7 . 1 1 68 68 SER CA C 68 57.991 57.991 58.816 -0.825 19045 4937 1 7 . 1 1 68 68 SER CB C 68 63.252 63.252 63.487 -0.235 19045 4938 1 7 . 1 1 68 68 SER H H 68 8.119 8.119 8.509 -0.390 19045 4939 1 7 . 1 1 69 69 SER N N 69 117.598 117.598 117.262 0.336 19045 4940 1 7 . 1 1 69 69 SER HA H 69 4.440 4.440 4.865 -0.425 19045 4941 1 7 . 1 1 69 69 SER CA C 69 57.518 57.518 57.572 -0.053 19045 4942 1 7 . 1 1 69 69 SER CB C 69 64.587 64.587 64.298 0.289 19045 4943 1 7 . 1 1 69 69 SER H H 69 7.723 7.723 7.472 0.251 19045 4944 1 7 . 1 1 70 70 THR N N 70 121.887 121.887 118.522 3.365 19045 4945 1 7 . 1 1 70 70 THR HA H 70 3.873 3.873 4.005 -0.132 19045 4946 1 7 . 1 1 70 70 THR CA C 70 66.723 66.723 66.259 0.464 19045 4947 1 7 . 1 1 70 70 THR CB C 70 68.385 68.385 68.799 -0.414 19045 4948 1 7 . 1 1 70 70 THR H H 70 8.827 8.827 8.795 0.032 19045 4949 1 7 . 1 1 71 71 MET N N 71 117.344 117.344 118.534 -1.190 19045 4950 1 7 . 1 1 71 71 MET HA H 71 4.469 4.469 4.223 0.246 19045 4951 1 7 . 1 1 71 71 MET CA C 71 56.260 56.260 56.628 -0.368 19045 4952 1 7 . 1 1 71 71 MET CB C 71 31.696 31.696 30.794 0.902 19045 4953 1 7 . 1 1 71 71 MET H H 71 8.454 8.454 8.283 0.171 19045 4954 1 7 . 1 1 72 72 GLY N N 72 108.884 108.884 106.254 2.630 19045 4955 1 7 . 1 1 72 72 GLY CA C 72 46.884 46.884 47.062 -0.178 19045 4956 1 7 . 1 1 72 72 GLY H H 72 7.979 7.979 8.000 -0.021 19045 4957 1 7 . 1 1 73 73 GLN N N 73 121.522 121.522 121.307 0.215 19045 4958 1 7 . 1 1 73 73 GLN HA H 73 3.857 3.857 4.184 -0.327 19045 4959 1 7 . 1 1 73 73 GLN CA C 73 58.220 58.220 58.145 0.075 19045 4960 1 7 . 1 1 73 73 GLN CB C 73 28.309 28.309 28.264 0.045 19045 4961 1 7 . 1 1 73 73 GLN H H 73 7.859 7.859 7.708 0.151 19045 4962 1 7 . 1 1 74 74 VAL N N 74 121.291 121.291 122.578 -1.287 19045 4963 1 7 . 1 1 74 74 VAL HA H 74 3.359 3.359 3.547 -0.188 19045 4964 1 7 . 1 1 74 74 VAL CA C 74 67.150 67.150 67.200 -0.050 19045 4965 1 7 . 1 1 74 74 VAL CB C 74 31.249 31.249 31.573 -0.324 19045 4966 1 7 . 1 1 74 74 VAL H H 74 8.155 8.155 7.601 0.554 19045 4967 1 7 . 1 1 75 75 GLY N N 75 105.037 105.037 105.514 -0.477 19045 4968 1 7 . 1 1 75 75 GLY CA C 75 48.385 48.385 47.103 1.282 19045 4969 1 7 . 1 1 75 75 GLY H H 75 8.154 8.154 7.779 0.375 19045 4970 1 7 . 1 1 76 76 ARG N N 76 119.292 119.292 121.445 -2.153 19045 4971 1 7 . 1 1 76 76 ARG HA H 76 3.320 3.320 4.072 -0.752 19045 4972 1 7 . 1 1 76 76 ARG CA C 76 59.540 59.540 59.530 0.010 19045 4973 1 7 . 1 1 76 76 ARG CB C 76 30.130 30.130 30.292 -0.162 19045 4974 1 7 . 1 1 76 76 ARG H H 76 7.512 7.512 7.320 0.192 19045 4975 1 7 . 1 1 77 77 GLN N N 77 118.008 118.008 119.025 -1.017 19045 4976 1 7 . 1 1 77 77 GLN HA H 77 3.951 3.951 4.099 -0.148 19045 4977 1 7 . 1 1 77 77 GLN CA C 77 58.337 58.337 58.758 -0.420 19045 4978 1 7 . 1 1 77 77 GLN CB C 77 27.512 27.512 28.191 -0.679 19045 4979 1 7 . 1 1 77 77 GLN H H 77 7.852 7.852 7.765 0.087 19045 4980 1 7 . 1 1 78 78 LEU N N 78 116.018 116.018 119.674 -3.656 19045 4981 1 7 . 1 1 78 78 LEU HA H 78 4.078 4.078 3.959 0.119 19045 4982 1 7 . 1 1 78 78 LEU CA C 78 57.391 57.391 58.190 -0.799 19045 4983 1 7 . 1 1 78 78 LEU CB C 78 40.999 40.999 41.666 -0.667 19045 4984 1 7 . 1 1 78 78 LEU H H 78 8.412 8.412 8.430 -0.018 19045 4985 1 7 . 1 1 79 79 ALA N N 79 120.914 120.914 120.618 0.296 19045 4986 1 7 . 1 1 79 79 ALA HA H 79 3.896 3.896 4.082 -0.186 19045 4987 1 7 . 1 1 79 79 ALA CA C 79 54.789 54.789 55.043 -0.254 19045 4988 1 7 . 1 1 79 79 ALA CB C 79 17.880 17.880 18.149 -0.269 19045 4989 1 7 . 1 1 79 79 ALA H H 79 7.789 7.789 8.193 -0.404 19045 4990 1 7 . 1 1 80 80 ILE N N 80 117.984 117.984 117.780 0.204 19045 4991 1 7 . 1 1 80 80 ILE HA H 80 3.895 3.895 3.812 0.083 19045 4992 1 7 . 1 1 80 80 ILE CA C 80 63.576 63.576 64.566 -0.990 19045 4993 1 7 . 1 1 80 80 ILE CB C 80 38.607 38.607 38.423 0.184 19045 4994 1 7 . 1 1 80 80 ILE H H 80 7.690 7.690 7.522 0.168 19045 4995 1 7 . 1 1 81 81 ILE HA H 81 3.984 3.984 3.931 0.053 19045 4996 1 7 . 1 1 81 81 ILE CA C 81 63.608 63.608 64.257 -0.649 19045 4997 1 7 . 1 1 81 81 ILE CB C 81 37.587 37.587 37.375 0.212 19045 4998 1 7 . 1 1 81 81 ILE H H 81 7.910 7.910 8.239 -0.329 19045 4999 1 7 . 1 1 82 82 GLY CA C 82 45.566 45.566 44.438 1.128 19045 5000 1 7 . 1 1 82 82 GLY H H 82 7.765 7.765 8.248 -0.483 19045 5001 1 7 . 1 1 83 83 ASP N N 83 119.914 119.914 122.744 -2.830 19045 5002 1 7 . 1 1 83 83 ASP HA H 83 4.332 4.332 4.376 -0.044 19045 5003 1 7 . 1 1 83 83 ASP CA C 83 58.161 58.161 57.635 0.526 19045 5004 1 7 . 1 1 83 83 ASP CB C 83 41.771 41.771 41.284 0.487 19045 5005 1 7 . 1 1 83 83 ASP H H 83 7.400 7.400 7.854 -0.454 19045 5006 1 7 . 1 1 84 84 ASP N N 84 116.566 116.566 119.680 -3.114 19045 5007 1 7 . 1 1 84 84 ASP HA H 84 4.200 4.200 4.442 -0.242 19045 5008 1 7 . 1 1 84 84 ASP CA C 84 57.270 57.270 57.306 -0.035 19045 5009 1 7 . 1 1 84 84 ASP CB C 84 40.593 40.593 40.427 0.166 19045 5010 1 7 . 1 1 84 84 ASP H H 84 8.523 8.523 8.438 0.085 19045 5011 1 7 . 1 1 85 85 ILE N N 85 120.454 120.454 119.064 1.390 19045 5012 1 7 . 1 1 85 85 ILE HA H 85 3.753 3.753 3.855 -0.102 19045 5013 1 7 . 1 1 85 85 ILE CA C 85 63.782 63.782 64.592 -0.810 19045 5014 1 7 . 1 1 85 85 ILE CB C 85 37.546 37.546 37.243 0.303 19045 5015 1 7 . 1 1 85 85 ILE H H 85 7.707 7.707 8.040 -0.333 19045 5016 1 7 . 1 1 86 86 ASN N N 86 118.583 118.583 119.023 -0.440 19045 5017 1 7 . 1 1 86 86 ASN HA H 86 4.472 4.472 4.481 -0.009 19045 5018 1 7 . 1 1 86 86 ASN CA C 86 56.087 56.087 56.562 -0.475 19045 5019 1 7 . 1 1 86 86 ASN CB C 86 37.614 37.614 38.772 -1.158 19045 5020 1 7 . 1 1 86 86 ASN H H 86 8.440 8.440 8.097 0.343 19045 5021 1 7 . 1 1 87 87 ARG N N 87 117.819 117.819 117.613 0.206 19045 5022 1 7 . 1 1 87 87 ARG HA H 87 4.043 4.043 3.974 0.069 19045 5023 1 7 . 1 1 87 87 ARG CA C 87 59.035 59.035 58.958 0.077 19045 5024 1 7 . 1 1 87 87 ARG CB C 87 29.845 29.845 29.958 -0.113 19045 5025 1 7 . 1 1 87 87 ARG H H 87 8.214 8.214 7.868 0.346 19045 5026 1 7 . 1 1 88 88 ARG N N 88 117.971 117.971 119.857 -1.886 19045 5027 1 7 . 1 1 88 88 ARG HA H 88 3.965 3.965 4.018 -0.053 19045 5028 1 7 . 1 1 88 88 ARG CA C 88 58.161 58.161 59.379 -1.218 19045 5029 1 7 . 1 1 88 88 ARG CB C 88 30.376 30.376 30.653 -0.277 19045 5030 1 7 . 1 1 88 88 ARG H H 88 7.438 7.438 8.025 -0.587 19045 5031 1 7 . 1 1 89 89 TYR N N 89 114.591 114.591 113.135 1.456 19045 5032 1 7 . 1 1 89 89 TYR HA H 89 4.753 4.753 5.025 -0.272 19045 5033 1 7 . 1 1 89 89 TYR CA C 89 59.481 59.481 57.110 2.371 19045 5034 1 7 . 1 1 89 89 TYR CB C 89 39.610 39.610 37.322 2.288 19045 5035 1 7 . 1 1 89 89 TYR H H 89 7.635 7.635 8.154 -0.519 19045 5036 1 7 . 1 1 90 90 ASP HA H 90 4.820 4.820 4.603 0.217 19045 5037 1 7 . 1 1 90 90 ASP CA C 90 58.200 58.200 56.822 1.377 19045 5038 1 7 . 1 1 90 90 ASP CB C 90 41.407 41.407 41.146 0.261 19045 5039 1 7 . 1 1 90 90 ASP H H 90 8.282 8.282 7.541 0.741 19045 5040 1 7 . 1 1 91 91 SER N N 91 115.266 115.266 115.557 -0.291 19045 5041 1 7 . 1 1 91 91 SER HA H 91 4.170 4.170 4.197 -0.027 19045 5042 1 7 . 1 1 91 91 SER CA C 91 61.780 61.780 62.181 -0.401 19045 5043 1 7 . 1 1 91 91 SER CB C 91 61.891 61.891 62.959 -1.067 19045 5044 1 7 . 1 1 91 91 SER H H 91 8.717 8.717 8.071 0.646 19045 5045 1 7 . 1 1 92 92 GLU N N 92 122.093 122.093 120.783 1.310 19045 5046 1 7 . 1 1 92 92 GLU HA H 92 4.056 4.056 4.203 -0.147 19045 5047 1 7 . 1 1 92 92 GLU CA C 92 58.928 58.928 58.720 0.208 19045 5048 1 7 . 1 1 92 92 GLU CB C 92 29.796 29.796 29.460 0.336 19045 5049 1 7 . 1 1 92 92 GLU H H 92 8.025 8.025 8.632 -0.607 19045 5050 1 7 . 1 1 93 93 PHE HA H 93 4.171 4.171 4.496 -0.325 19045 5051 1 7 . 1 1 93 93 PHE CA C 93 60.704 60.704 59.417 1.287 19045 5052 1 7 . 1 1 93 93 PHE CB C 93 38.780 38.780 40.087 -1.307 19045 5053 1 7 . 1 1 93 93 PHE H H 93 7.801 7.801 7.916 -0.115 19045 5054 1 7 . 1 1 94 94 GLN N N 94 118.578 118.578 119.449 -0.871 19045 5055 1 7 . 1 1 94 94 GLN HA H 94 3.847 3.847 3.904 -0.057 19045 5056 1 7 . 1 1 94 94 GLN CA C 94 59.981 59.981 58.863 1.118 19045 5057 1 7 . 1 1 94 94 GLN CB C 94 28.415 28.415 27.625 0.790 19045 5058 1 7 . 1 1 94 94 GLN H H 94 8.609 8.609 8.837 -0.228 19045 5059 1 7 . 1 1 95 95 THR N N 95 116.128 116.128 117.268 -1.140 19045 5060 1 7 . 1 1 95 95 THR HA H 95 3.811 3.811 3.925 -0.114 19045 5061 1 7 . 1 1 95 95 THR CA C 95 66.391 66.391 66.844 -0.453 19045 5062 1 7 . 1 1 95 95 THR CB C 95 68.361 68.361 68.625 -0.264 19045 5063 1 7 . 1 1 95 95 THR H H 95 7.826 7.826 7.565 0.261 19045 5064 1 7 . 1 1 96 96 MET N N 96 120.474 120.474 118.084 2.390 19045 5065 1 7 . 1 1 96 96 MET HA H 96 3.933 3.933 3.580 0.353 19045 5066 1 7 . 1 1 96 96 MET CA C 96 59.949 59.949 57.940 2.009 19045 5067 1 7 . 1 1 96 96 MET CB C 96 33.087 33.087 31.967 1.120 19045 5068 1 7 . 1 1 96 96 MET H H 96 7.728 7.728 7.367 0.361 19045 5069 1 7 . 1 1 97 97 LEU N N 97 118.904 118.904 121.427 -2.523 19045 5070 1 7 . 1 1 97 97 LEU HA H 97 3.604 3.604 3.665 -0.061 19045 5071 1 7 . 1 1 97 97 LEU CA C 97 57.771 57.771 57.688 0.083 19045 5072 1 7 . 1 1 97 97 LEU CB C 97 40.836 40.836 40.040 0.796 19045 5073 1 7 . 1 1 97 97 LEU H H 97 8.112 8.112 7.860 0.252 19045 5074 1 7 . 1 1 98 98 GLN N N 98 116.798 116.798 115.536 1.262 19045 5075 1 7 . 1 1 98 98 GLN HA H 98 4.003 4.003 3.942 0.061 19045 5076 1 7 . 1 1 98 98 GLN CA C 98 58.337 58.337 58.181 0.156 19045 5077 1 7 . 1 1 98 98 GLN CB C 98 27.659 27.659 28.799 -1.140 19045 5078 1 7 . 1 1 98 98 GLN H H 98 7.754 7.754 7.741 0.013 19045 5079 1 7 . 1 1 99 99 HIS N N 99 115.943 115.943 115.960 -0.017 19045 5080 1 7 . 1 1 99 99 HIS HA H 99 4.442 4.442 4.400 0.042 19045 5081 1 7 . 1 1 99 99 HIS CA C 99 57.025 57.025 57.047 -0.021 19045 5082 1 7 . 1 1 99 99 HIS CB C 99 28.848 28.848 29.974 -1.126 19045 5083 1 7 . 1 1 99 99 HIS H H 99 7.504 7.504 7.799 -0.295 19045 5084 1 7 . 1 1 100 100 LEU N N 100 121.347 121.347 119.828 1.519 19045 5085 1 7 . 1 1 100 100 LEU HA H 100 3.803 3.803 3.996 -0.193 19045 5086 1 7 . 1 1 100 100 LEU CA C 100 56.801 56.801 56.658 0.143 19045 5087 1 7 . 1 1 100 100 LEU CB C 100 42.563 42.563 42.523 0.041 19045 5088 1 7 . 1 1 100 100 LEU H H 100 8.013 8.013 7.407 0.606 19045 5089 1 7 . 1 1 101 101 GLN N N 101 110.029 110.029 113.960 -3.931 19045 5090 1 7 . 1 1 101 101 GLN HA H 101 4.003 4.003 4.089 -0.086 19045 5091 1 7 . 1 1 101 101 GLN CA C 101 55.685 55.685 55.437 0.248 19045 5092 1 7 . 1 1 101 101 GLN CB C 101 27.301 27.301 26.420 0.881 19045 5093 1 7 . 1 1 101 101 GLN H H 101 7.763 7.763 7.813 -0.050 19045 5094 1 7 . 1 1 102 102 PRO HA H 102 4.926 4.926 4.156 0.770 19045 5095 1 7 . 1 1 102 102 PRO CA C 102 62.372 62.372 62.842 -0.469 19045 5096 1 7 . 1 1 102 102 PRO CB C 102 31.963 31.963 32.259 -0.296 19045 5097 1 7 . 1 1 103 103 THR N N 103 114.119 114.119 105.511 8.608 19045 5098 1 7 . 1 1 103 103 THR HA H 103 4.420 4.420 4.639 -0.219 19045 5099 1 7 . 1 1 103 103 THR CA C 103 58.716 58.716 59.074 -0.358 19045 5100 1 7 . 1 1 103 103 THR CB C 103 72.929 72.929 72.389 0.540 19045 5101 1 7 . 1 1 103 103 THR H H 103 9.386 9.386 8.068 1.318 19045 5102 1 7 . 1 1 104 104 ALA N N 104 120.374 120.374 122.038 -1.664 19045 5103 1 7 . 1 1 104 104 ALA HA H 104 3.737 3.737 4.592 -0.855 19045 5104 1 7 . 1 1 104 104 ALA CA C 104 54.782 54.782 54.752 0.030 19045 5105 1 7 . 1 1 104 104 ALA CB C 104 18.050 18.050 18.670 -0.620 19045 5106 1 7 . 1 1 104 104 ALA H H 104 8.723 8.723 8.582 0.140 19045 5107 1 7 . 1 1 105 105 GLU N N 105 113.834 113.834 115.426 -1.592 19045 5108 1 7 . 1 1 105 105 GLU HA H 105 4.122 4.122 4.323 -0.201 19045 5109 1 7 . 1 1 105 105 GLU CA C 105 58.707 58.707 58.913 -0.206 19045 5110 1 7 . 1 1 105 105 GLU CB C 105 29.445 29.445 29.213 0.232 19045 5111 1 7 . 1 1 105 105 GLU H H 105 7.969 7.969 8.751 -0.782 19045 5112 1 7 . 1 1 106 106 ASN N N 106 114.135 114.135 116.111 -1.976 19045 5113 1 7 . 1 1 106 106 ASN HA H 106 4.781 4.781 4.488 0.293 19045 5114 1 7 . 1 1 106 106 ASN CA C 106 52.222 52.222 52.210 0.012 19045 5115 1 7 . 1 1 106 106 ASN CB C 106 38.983 38.983 39.491 -0.508 19045 5116 1 7 . 1 1 106 106 ASN H H 106 7.151 7.151 7.729 -0.578 19045 5117 1 7 . 1 1 107 107 ALA N N 107 121.280 121.280 124.518 -3.238 19045 5118 1 7 . 1 1 107 107 ALA HA H 107 3.858 3.858 4.194 -0.336 19045 5119 1 7 . 1 1 107 107 ALA CA C 107 56.988 56.988 55.517 1.470 19045 5120 1 7 . 1 1 107 107 ALA CB C 107 18.278 18.278 18.938 -0.660 19045 5121 1 7 . 1 1 107 107 ALA H H 107 7.940 7.940 7.186 0.754 19045 5122 1 7 . 1 1 108 108 TYR N N 108 117.339 117.339 116.077 1.262 19045 5123 1 7 . 1 1 108 108 TYR HA H 108 3.048 3.048 3.828 -0.780 19045 5124 1 7 . 1 1 108 108 TYR CA C 108 60.578 60.578 60.266 0.312 19045 5125 1 7 . 1 1 108 108 TYR CB C 108 36.804 36.804 36.457 0.347 19045 5126 1 7 . 1 1 108 108 TYR H H 108 8.783 8.783 8.004 0.779 19045 5127 1 7 . 1 1 109 109 GLU N N 109 123.316 123.316 120.985 2.331 19045 5128 1 7 . 1 1 109 109 GLU HA H 109 3.681 3.681 3.705 -0.024 19045 5129 1 7 . 1 1 109 109 GLU CA C 109 59.152 59.152 58.824 0.328 19045 5130 1 7 . 1 1 109 109 GLU CB C 109 28.782 28.782 28.589 0.193 19045 5131 1 7 . 1 1 109 109 GLU H H 109 8.084 8.084 7.335 0.749 19045 5132 1 7 . 1 1 110 110 TYR N N 110 117.254 117.254 118.104 -0.850 19045 5133 1 7 . 1 1 110 110 TYR HA H 110 4.339 4.339 4.271 0.068 19045 5134 1 7 . 1 1 110 110 TYR CA C 110 58.527 58.527 60.832 -2.305 19045 5135 1 7 . 1 1 110 110 TYR CB C 110 36.323 36.323 38.435 -2.112 19045 5136 1 7 . 1 1 110 110 TYR H H 110 8.282 8.282 7.785 0.497 19045 5137 1 7 . 1 1 111 111 PHE N N 111 119.028 119.028 120.961 -1.933 19045 5138 1 7 . 1 1 111 111 PHE HA H 111 3.889 3.889 4.166 -0.277 19045 5139 1 7 . 1 1 111 111 PHE CA C 111 62.350 62.350 60.967 1.383 19045 5140 1 7 . 1 1 111 111 PHE CB C 111 39.369 39.369 38.986 0.383 19045 5141 1 7 . 1 1 111 111 PHE H H 111 9.197 9.197 8.950 0.247 19045 5142 1 7 . 1 1 112 112 THR N N 112 113.669 113.669 112.771 0.898 19045 5143 1 7 . 1 1 112 112 THR HA H 112 3.411 3.411 3.232 0.179 19045 5144 1 7 . 1 1 112 112 THR CA C 112 67.185 67.185 66.238 0.947 19045 5145 1 7 . 1 1 112 112 THR CB C 112 68.294 68.294 67.888 0.406 19045 5146 1 7 . 1 1 112 112 THR H H 112 8.315 8.315 8.516 -0.201 19045 5147 1 7 . 1 1 113 113 LYS N N 113 124.090 124.090 122.162 1.928 19045 5148 1 7 . 1 1 113 113 LYS HA H 113 3.854 3.854 4.069 -0.215 19045 5149 1 7 . 1 1 113 113 LYS CA C 113 60.416 60.416 59.059 1.357 19045 5150 1 7 . 1 1 113 113 LYS CB C 113 33.219 33.219 32.251 0.968 19045 5151 1 7 . 1 1 113 113 LYS H H 113 8.335 8.335 7.402 0.933 19045 5152 1 7 . 1 1 114 114 ILE N N 114 120.457 120.457 119.718 0.739 19045 5153 1 7 . 1 1 114 114 ILE HA H 114 3.145 3.145 3.654 -0.509 19045 5154 1 7 . 1 1 114 114 ILE CA C 114 65.550 65.550 63.180 2.370 19045 5155 1 7 . 1 1 114 114 ILE CB C 114 37.402 37.402 36.247 1.155 19045 5156 1 7 . 1 1 114 114 ILE H H 114 8.042 8.042 7.865 0.177 19045 5157 1 7 . 1 1 115 115 ALA N N 115 121.066 121.066 121.661 -0.595 19045 5158 1 7 . 1 1 115 115 ALA HA H 115 3.219 3.219 3.965 -0.746 19045 5159 1 7 . 1 1 115 115 ALA CA C 115 54.940 54.940 55.424 -0.484 19045 5160 1 7 . 1 1 115 115 ALA CB C 115 16.345 16.345 17.303 -0.958 19045 5161 1 7 . 1 1 115 115 ALA H H 115 8.208 8.208 8.129 0.079 19045 5162 1 7 . 1 1 116 116 THR N N 116 112.803 112.803 114.993 -2.190 19045 5163 1 7 . 1 1 116 116 THR HA H 116 3.808 3.808 4.234 -0.426 19045 5164 1 7 . 1 1 116 116 THR CA C 116 67.557 67.557 66.450 1.107 19045 5165 1 7 . 1 1 116 116 THR CB C 116 68.431 68.431 68.826 -0.395 19045 5166 1 7 . 1 1 116 116 THR H H 116 7.893 7.893 7.821 0.072 19045 5167 1 7 . 1 1 117 117 SER N N 117 115.935 115.935 115.086 0.849 19045 5168 1 7 . 1 1 117 117 SER HA H 117 4.070 4.070 4.360 -0.290 19045 5169 1 7 . 1 1 117 117 SER CA C 117 61.879 61.879 61.387 0.492 19045 5170 1 7 . 1 1 117 117 SER CB C 117 62.907 62.907 63.394 -0.486 19045 5171 1 7 . 1 1 117 117 SER H H 117 7.139 7.139 7.770 -0.631 19045 5172 1 7 . 1 1 118 118 LEU N N 118 123.462 123.462 124.378 -0.916 19045 5173 1 7 . 1 1 118 118 LEU HA H 118 3.596 3.596 3.950 -0.354 19045 5174 1 7 . 1 1 118 118 LEU CA C 118 58.014 58.014 57.421 0.593 19045 5175 1 7 . 1 1 118 118 LEU CB C 118 41.687 41.687 42.170 -0.483 19045 5176 1 7 . 1 1 118 118 LEU H H 118 7.844 7.844 7.723 0.121 19045 5177 1 7 . 1 1 119 119 PHE N N 119 110.270 110.270 113.725 -3.455 19045 5178 1 7 . 1 1 119 119 PHE HA H 119 4.721 4.721 4.630 0.092 19045 5179 1 7 . 1 1 119 119 PHE CA C 119 58.698 58.698 57.393 1.305 19045 5180 1 7 . 1 1 119 119 PHE CB C 119 38.838 38.838 37.891 0.947 19045 5181 1 7 . 1 1 119 119 PHE H H 119 6.878 6.878 8.394 -1.516 19045 5182 1 7 . 1 1 120 120 GLU N N 120 123.135 123.135 119.516 3.619 19045 5183 1 7 . 1 1 120 120 GLU HA H 120 4.016 4.016 4.296 -0.280 19045 5184 1 7 . 1 1 120 120 GLU CA C 120 59.532 59.532 58.257 1.275 19045 5185 1 7 . 1 1 120 120 GLU CB C 120 29.337 29.337 30.142 -0.805 19045 5186 1 7 . 1 1 120 120 GLU H H 120 7.551 7.551 7.724 -0.173 19045 5187 1 7 . 1 1 121 121 SER N N 121 107.983 107.983 114.348 -6.365 19045 5188 1 7 . 1 1 121 121 SER HA H 121 4.522 4.522 4.531 -0.009 19045 5189 1 7 . 1 1 121 121 SER CA C 121 57.342 57.342 58.897 -1.555 19045 5190 1 7 . 1 1 121 121 SER CB C 121 63.353 63.353 64.500 -1.147 19045 5191 1 7 . 1 1 121 121 SER H H 121 7.712 7.712 8.158 -0.446 19045 5192 1 7 . 1 1 122 122 GLY N N 122 110.748 110.748 108.305 2.443 19045 5193 1 7 . 1 1 122 122 GLY CA C 122 44.419 44.419 44.797 -0.378 19045 5194 1 7 . 1 1 122 122 GLY H H 122 7.317 7.317 7.952 -0.635 19045 5195 1 7 . 1 1 123 123 ILE N N 123 117.061 117.061 119.603 -2.542 19045 5196 1 7 . 1 1 123 123 ILE HA H 123 3.724 3.724 4.226 -0.502 19045 5197 1 7 . 1 1 123 123 ILE CA C 123 61.383 61.383 60.623 0.760 19045 5198 1 7 . 1 1 123 123 ILE CB C 123 40.588 40.588 38.759 1.829 19045 5199 1 7 . 1 1 123 123 ILE H H 123 7.963 7.963 8.309 -0.346 19045 5200 1 7 . 1 1 124 124 ASN N N 124 117.915 117.915 122.659 -4.744 19045 5201 1 7 . 1 1 124 124 ASN HA H 124 4.204 4.204 4.988 -0.784 19045 5202 1 7 . 1 1 124 124 ASN CA C 124 51.886 51.886 52.327 -0.440 19045 5203 1 7 . 1 1 124 124 ASN CB C 124 39.033 39.033 40.929 -1.896 19045 5204 1 7 . 1 1 124 124 ASN H H 124 6.434 6.434 7.984 -1.550 19045 5205 1 7 . 1 1 125 125 TRP N N 125 119.673 119.673 123.234 -3.561 19045 5206 1 7 . 1 1 125 125 TRP HA H 125 4.470 4.470 4.585 -0.115 19045 5207 1 7 . 1 1 125 125 TRP CA C 125 61.257 61.257 60.987 0.270 19045 5208 1 7 . 1 1 125 125 TRP CB C 125 30.287 30.287 29.550 0.737 19045 5209 1 7 . 1 1 125 125 TRP H H 125 8.824 8.824 9.051 -0.227 19045 5210 1 7 . 1 1 126 126 GLY N N 126 107.516 107.516 106.772 0.744 19045 5211 1 7 . 1 1 126 126 GLY CA C 126 48.294 48.294 47.292 1.002 19045 5212 1 7 . 1 1 126 126 GLY H H 126 9.118 9.118 8.711 0.407 19045 5213 1 7 . 1 1 127 127 ARG N N 127 119.610 119.610 122.088 -2.478 19045 5214 1 7 . 1 1 127 127 ARG HA H 127 3.742 3.742 3.991 -0.249 19045 5215 1 7 . 1 1 127 127 ARG CA C 127 59.551 59.551 58.984 0.567 19045 5216 1 7 . 1 1 127 127 ARG CB C 127 31.163 31.163 29.890 1.273 19045 5217 1 7 . 1 1 127 127 ARG H H 127 8.616 8.616 8.214 0.402 19045 5218 1 7 . 1 1 128 128 VAL N N 128 120.289 120.289 119.993 0.296 19045 5219 1 7 . 1 1 128 128 VAL HA H 128 3.662 3.662 3.921 -0.259 19045 5220 1 7 . 1 1 128 128 VAL CA C 128 68.387 68.387 66.618 1.769 19045 5221 1 7 . 1 1 128 128 VAL CB C 128 31.127 31.127 31.534 -0.407 19045 5222 1 7 . 1 1 128 128 VAL H H 128 7.762 7.762 8.159 -0.397 19045 5223 1 7 . 1 1 129 129 VAL N N 129 119.577 119.577 119.329 0.248 19045 5224 1 7 . 1 1 129 129 VAL HA H 129 3.449 3.449 3.666 -0.217 19045 5225 1 7 . 1 1 129 129 VAL CA C 129 67.772 67.772 66.597 1.175 19045 5226 1 7 . 1 1 129 129 VAL CB C 129 30.918 30.918 31.326 -0.408 19045 5227 1 7 . 1 1 129 129 VAL H H 129 8.433 8.433 7.630 0.803 19045 5228 1 7 . 1 1 130 130 ALA N N 130 123.330 123.330 123.616 -0.286 19045 5229 1 7 . 1 1 130 130 ALA HA H 130 4.069 4.069 4.095 -0.026 19045 5230 1 7 . 1 1 130 130 ALA CA C 130 54.978 54.978 55.265 -0.287 19045 5231 1 7 . 1 1 130 130 ALA CB C 130 17.446 17.446 18.403 -0.957 19045 5232 1 7 . 1 1 130 130 ALA H H 130 8.766 8.766 8.105 0.661 19045 5233 1 7 . 1 1 131 131 LEU N N 131 120.040 120.040 119.472 0.568 19045 5234 1 7 . 1 1 131 131 LEU HA H 131 3.961 3.961 4.562 -0.601 19045 5235 1 7 . 1 1 131 131 LEU CA C 131 58.353 58.353 58.724 -0.371 19045 5236 1 7 . 1 1 131 131 LEU CB C 131 40.750 40.750 42.293 -1.543 19045 5237 1 7 . 1 1 131 131 LEU H H 131 8.178 8.178 8.411 -0.233 19045 5238 1 7 . 1 1 132 132 LEU N N 132 119.150 119.150 117.394 1.756 19045 5239 1 7 . 1 1 132 132 LEU HA H 132 3.952 3.952 4.362 -0.410 19045 5240 1 7 . 1 1 132 132 LEU CA C 132 58.620 58.620 57.591 1.029 19045 5241 1 7 . 1 1 132 132 LEU CB C 132 38.835 38.835 40.881 -2.046 19045 5242 1 7 . 1 1 132 132 LEU H H 132 7.927 7.927 7.520 0.407 19045 5243 1 7 . 1 1 133 133 GLY N N 133 107.066 107.066 108.417 -1.351 19045 5244 1 7 . 1 1 133 133 GLY CA C 133 48.339 48.339 47.704 0.635 19045 5245 1 7 . 1 1 133 133 GLY H H 133 8.752 8.752 8.325 0.427 19045 5246 1 7 . 1 1 134 134 PHE N N 134 123.521 123.521 121.353 2.168 19045 5247 1 7 . 1 1 134 134 PHE HA H 134 4.601 4.601 4.614 -0.013 19045 5248 1 7 . 1 1 134 134 PHE CA C 134 59.884 59.884 58.535 1.349 19045 5249 1 7 . 1 1 134 134 PHE CB C 134 38.622 38.622 38.514 0.108 19045 5250 1 7 . 1 1 134 134 PHE H H 134 8.606 8.606 8.522 0.084 19045 5251 1 7 . 1 1 135 135 GLY N N 135 106.412 106.412 109.114 -2.702 19045 5252 1 7 . 1 1 135 135 GLY CA C 135 47.731 47.731 47.097 0.634 19045 5253 1 7 . 1 1 135 135 GLY H H 135 8.715 8.715 7.699 1.016 19045 5254 1 7 . 1 1 136 136 TYR N N 136 121.461 121.461 123.382 -1.921 19045 5255 1 7 . 1 1 136 136 TYR HA H 136 4.116 4.116 4.235 -0.119 19045 5256 1 7 . 1 1 136 136 TYR CA C 136 61.564 61.564 61.749 -0.185 19045 5257 1 7 . 1 1 136 136 TYR CB C 136 38.469 38.469 38.717 -0.248 19045 5258 1 7 . 1 1 136 136 TYR H H 136 8.809 8.809 8.221 0.588 19045 5259 1 7 . 1 1 137 137 ARG N N 137 117.518 117.518 119.610 -2.092 19045 5260 1 7 . 1 1 137 137 ARG HA H 137 3.647 3.647 4.163 -0.516 19045 5261 1 7 . 1 1 137 137 ARG CA C 137 58.904 58.904 59.081 -0.177 19045 5262 1 7 . 1 1 137 137 ARG CB C 137 29.189 29.189 29.981 -0.792 19045 5263 1 7 . 1 1 137 137 ARG H H 137 8.646 8.646 7.874 0.772 19045 5264 1 7 . 1 1 138 138 LEU N N 138 121.658 121.658 119.069 2.589 19045 5265 1 7 . 1 1 138 138 LEU HA H 138 3.905 3.905 4.124 -0.219 19045 5266 1 7 . 1 1 138 138 LEU CA C 138 58.454 58.454 58.316 0.137 19045 5267 1 7 . 1 1 138 138 LEU CB C 138 41.801 41.801 42.208 -0.407 19045 5268 1 7 . 1 1 138 138 LEU H H 138 9.065 9.065 8.206 0.859 19045 5269 1 7 . 1 1 139 139 ALA N N 139 120.012 120.012 119.600 0.412 19045 5270 1 7 . 1 1 139 139 ALA HA H 139 4.004 4.004 4.604 -0.600 19045 5271 1 7 . 1 1 139 139 ALA CA C 139 55.174 55.174 54.557 0.617 19045 5272 1 7 . 1 1 139 139 ALA CB C 139 17.943 17.943 19.362 -1.419 19045 5273 1 7 . 1 1 139 139 ALA H H 139 8.237 8.237 7.909 0.328 19045 5274 1 7 . 1 1 140 140 LEU N N 140 119.522 119.522 117.804 1.718 19045 5275 1 7 . 1 1 140 140 LEU HA H 140 4.000 4.000 4.442 -0.442 19045 5276 1 7 . 1 1 140 140 LEU CA C 140 57.805 57.805 56.926 0.879 19045 5277 1 7 . 1 1 140 140 LEU CB C 140 42.324 42.324 42.341 -0.017 19045 5278 1 7 . 1 1 140 140 LEU H H 140 8.191 8.191 7.898 0.293 19045 5279 1 7 . 1 1 141 141 HIS N N 141 117.834 117.834 116.465 1.369 19045 5280 1 7 . 1 1 141 141 HIS HA H 141 4.183 4.183 4.681 -0.498 19045 5281 1 7 . 1 1 141 141 HIS CA C 141 60.960 60.960 57.480 3.480 19045 5282 1 7 . 1 1 141 141 HIS CB C 141 31.708 31.708 31.507 0.201 19045 5283 1 7 . 1 1 141 141 HIS H H 141 8.253 8.253 7.920 0.333 19045 5284 1 7 . 1 1 142 142 VAL N N 142 113.700 113.700 119.221 -5.521 19045 5285 1 7 . 1 1 142 142 VAL HA H 142 3.887 3.887 4.151 -0.264 19045 5286 1 7 . 1 1 142 142 VAL CA C 142 65.948 65.948 62.385 3.563 19045 5287 1 7 . 1 1 142 142 VAL CB C 142 30.264 30.264 32.848 -2.584 19045 5288 1 7 . 1 1 142 142 VAL H H 142 8.455 8.455 7.268 1.187 19045 5289 1 7 . 1 1 143 143 TYR N N 143 123.307 123.307 121.228 2.079 19045 5290 1 7 . 1 1 143 143 TYR HA H 143 4.320 4.320 4.067 0.253 19045 5291 1 7 . 1 1 143 143 TYR CA C 143 61.934 61.934 60.877 1.057 19045 5292 1 7 . 1 1 143 143 TYR CB C 143 38.779 38.779 37.603 1.176 19045 5293 1 7 . 1 1 143 143 TYR H H 143 7.750 7.750 7.883 -0.133 19045 5294 1 7 . 1 1 144 144 GLN N N 144 118.560 118.560 117.313 1.247 19045 5295 1 7 . 1 1 144 144 GLN HA H 144 3.686 3.686 3.377 0.309 19045 5296 1 7 . 1 1 144 144 GLN CA C 144 58.055 58.055 58.001 0.054 19045 5297 1 7 . 1 1 144 144 GLN CB C 144 27.859 27.859 27.497 0.362 19045 5298 1 7 . 1 1 144 144 GLN H H 144 8.486 8.486 7.852 0.634 19045 5299 1 7 . 1 1 145 145 HIS N N 145 114.312 114.312 116.471 -2.159 19045 5300 1 7 . 1 1 145 145 HIS HA H 145 4.330 4.330 4.255 0.075 19045 5301 1 7 . 1 1 145 145 HIS CA C 145 56.178 56.178 58.042 -1.864 19045 5302 1 7 . 1 1 145 145 HIS CB C 145 27.751 27.751 30.533 -2.782 19045 5303 1 7 . 1 1 145 145 HIS H H 145 7.350 7.350 7.386 -0.036 19045 5304 1 7 . 1 1 146 146 GLY N N 146 106.537 106.537 105.081 1.456 19045 5305 1 7 . 1 1 146 146 GLY CA C 146 45.715 45.715 44.891 0.824 19045 5306 1 7 . 1 1 146 146 GLY H H 146 7.471 7.471 7.723 -0.252 19045 5307 1 7 . 1 1 147 147 LEU N N 147 123.302 123.302 121.540 1.762 19045 5308 1 7 . 1 1 147 147 LEU HA H 147 4.496 4.496 4.160 0.336 19045 5309 1 7 . 1 1 147 147 LEU CA C 147 54.259 54.259 55.630 -1.371 19045 5310 1 7 . 1 1 147 147 LEU CB C 147 41.033 41.033 42.222 -1.190 19045 5311 1 7 . 1 1 147 147 LEU H H 147 7.933 7.933 8.231 -0.298 19045 5312 1 7 . 1 1 148 148 THR HA H 148 4.523 4.523 4.534 -0.011 19045 5313 1 7 . 1 1 148 148 THR CA C 148 61.027 61.027 62.484 -1.457 19045 5314 1 7 . 1 1 148 148 THR CB C 148 70.359 70.359 69.656 0.703 19045 5315 1 7 . 1 1 149 149 GLY CA C 149 47.016 47.016 44.843 2.173 19045 5316 1 7 . 1 1 149 149 GLY H H 149 8.458 8.458 8.278 0.180 19045 5317 1 7 . 1 1 150 150 PHE N N 150 123.408 123.408 126.908 -3.500 19045 5318 1 7 . 1 1 150 150 PHE HA H 150 4.555 4.555 4.709 -0.154 19045 5319 1 7 . 1 1 150 150 PHE CA C 150 57.964 57.964 57.125 0.839 19045 5320 1 7 . 1 1 150 150 PHE CB C 150 42.911 42.911 40.750 2.161 19045 5321 1 7 . 1 1 150 150 PHE H H 150 9.331 9.331 7.919 1.412 19045 5322 1 7 . 1 1 151 151 LEU N N 151 123.032 123.032 120.155 2.877 19045 5323 1 7 . 1 1 151 151 LEU HA H 151 3.859 3.859 3.849 0.010 19045 5324 1 7 . 1 1 151 151 LEU CA C 151 58.454 58.454 58.924 -0.470 19045 5325 1 7 . 1 1 151 151 LEU CB C 151 40.948 40.948 40.171 0.777 19045 5326 1 7 . 1 1 151 151 LEU H H 151 8.470 8.470 8.051 0.419 19045 5327 1 7 . 1 1 152 152 GLY N N 152 108.386 108.386 105.360 3.026 19045 5328 1 7 . 1 1 152 152 GLY CA C 152 46.676 46.676 47.242 -0.566 19045 5329 1 7 . 1 1 152 152 GLY H H 152 8.577 8.577 8.543 0.034 19045 5330 1 7 . 1 1 153 153 GLN N N 153 122.055 122.055 120.914 1.141 19045 5331 1 7 . 1 1 153 153 GLN HA H 153 3.532 3.532 3.528 0.004 19045 5332 1 7 . 1 1 153 153 GLN CA C 153 57.844 57.844 57.533 0.311 19045 5333 1 7 . 1 1 153 153 GLN CB C 153 26.442 26.442 27.392 -0.950 19045 5334 1 7 . 1 1 153 153 GLN H H 153 7.106 7.106 7.094 0.012 19045 5335 1 7 . 1 1 154 154 VAL N N 154 116.706 116.706 119.831 -3.125 19045 5336 1 7 . 1 1 154 154 VAL HA H 154 2.428 2.428 3.437 -1.009 19045 5337 1 7 . 1 1 154 154 VAL CA C 154 66.089 66.089 65.890 0.199 19045 5338 1 7 . 1 1 154 154 VAL CB C 154 31.463 31.463 30.486 0.977 19045 5339 1 7 . 1 1 154 154 VAL H H 154 7.033 7.033 8.071 -1.038 19045 5340 1 7 . 1 1 155 155 THR N N 155 114.165 114.165 115.378 -1.213 19045 5341 1 7 . 1 1 155 155 THR HA H 155 3.317 3.317 3.487 -0.170 19045 5342 1 7 . 1 1 155 155 THR CA C 155 67.050 67.050 66.671 0.379 19045 5343 1 7 . 1 1 155 155 THR CB C 155 68.307 68.307 68.063 0.244 19045 5344 1 7 . 1 1 155 155 THR H H 155 7.860 7.860 8.078 -0.218 19045 5345 1 7 . 1 1 156 156 ARG N N 156 119.890 119.890 121.599 -1.709 19045 5346 1 7 . 1 1 156 156 ARG HA H 156 3.769 3.769 3.928 -0.159 19045 5347 1 7 . 1 1 156 156 ARG CA C 156 58.769 58.769 58.513 0.256 19045 5348 1 7 . 1 1 156 156 ARG CB C 156 28.693 28.693 29.244 -0.551 19045 5349 1 7 . 1 1 156 156 ARG H H 156 7.019 7.019 7.637 -0.618 19045 5350 1 7 . 1 1 157 157 PHE N N 157 118.242 118.242 119.147 -0.905 19045 5351 1 7 . 1 1 157 157 PHE HA H 157 4.426 4.426 4.295 0.131 19045 5352 1 7 . 1 1 157 157 PHE CA C 157 56.928 56.928 60.941 -4.013 19045 5353 1 7 . 1 1 157 157 PHE CB C 157 35.794 35.794 37.964 -2.170 19045 5354 1 7 . 1 1 157 157 PHE H H 157 8.030 8.030 8.122 -0.092 19045 5355 1 7 . 1 1 158 158 VAL N N 158 118.961 118.961 119.341 -0.380 19045 5356 1 7 . 1 1 158 158 VAL HA H 158 3.425 3.425 3.876 -0.451 19045 5357 1 7 . 1 1 158 158 VAL CA C 158 67.288 67.288 67.344 -0.056 19045 5358 1 7 . 1 1 158 158 VAL CB C 158 31.554 31.554 31.341 0.213 19045 5359 1 7 . 1 1 158 158 VAL H H 158 7.607 7.607 8.087 -0.480 19045 5360 1 7 . 1 1 159 159 VAL N N 159 119.773 119.773 120.181 -0.408 19045 5361 1 7 . 1 1 159 159 VAL HA H 159 3.358 3.358 3.526 -0.168 19045 5362 1 7 . 1 1 159 159 VAL CA C 159 67.570 67.570 66.838 0.732 19045 5363 1 7 . 1 1 159 159 VAL CB C 159 32.355 32.355 31.247 1.108 19045 5364 1 7 . 1 1 159 159 VAL H H 159 8.039 8.039 8.052 -0.013 19045 5365 1 7 . 1 1 160 160 ASP N N 160 118.382 118.382 120.653 -2.271 19045 5366 1 7 . 1 1 160 160 ASP HA H 160 4.293 4.293 4.242 0.051 19045 5367 1 7 . 1 1 160 160 ASP CA C 160 57.567 57.567 57.327 0.240 19045 5368 1 7 . 1 1 160 160 ASP CB C 160 41.474 41.474 40.441 1.033 19045 5369 1 7 . 1 1 160 160 ASP H H 160 8.752 8.752 8.214 0.538 19045 5370 1 7 . 1 1 161 161 PHE N N 161 119.972 119.972 120.693 -0.721 19045 5371 1 7 . 1 1 161 161 PHE HA H 161 4.175 4.175 4.062 0.113 19045 5372 1 7 . 1 1 161 161 PHE CA C 161 62.688 62.688 61.099 1.589 19045 5373 1 7 . 1 1 161 161 PHE CB C 161 39.789 39.789 39.321 0.468 19045 5374 1 7 . 1 1 161 161 PHE H H 161 8.558 8.558 8.426 0.132 19045 5375 1 7 . 1 1 162 162 MET N N 162 116.261 116.261 119.550 -3.289 19045 5376 1 7 . 1 1 162 162 MET HA H 162 3.702 3.702 3.929 -0.227 19045 5377 1 7 . 1 1 162 162 MET CA C 162 59.342 59.342 59.900 -0.558 19045 5378 1 7 . 1 1 162 162 MET CB C 162 32.081 32.081 32.886 -0.805 19045 5379 1 7 . 1 1 162 162 MET H H 162 8.597 8.597 8.667 -0.070 19045 5380 1 7 . 1 1 163 163 LEU N N 163 119.069 119.069 115.112 3.957 19045 5381 1 7 . 1 1 163 163 LEU HA H 163 3.952 3.952 4.149 -0.197 19045 5382 1 7 . 1 1 163 163 LEU CA C 163 57.856 57.856 56.275 1.581 19045 5383 1 7 . 1 1 163 163 LEU CB C 163 42.236 42.236 41.947 0.289 19045 5384 1 7 . 1 1 163 163 LEU H H 163 8.291 8.291 7.851 0.440 19045 5385 1 7 . 1 1 164 164 HIS N N 164 113.591 113.591 115.543 -1.952 19045 5386 1 7 . 1 1 164 164 HIS HA H 164 4.430 4.430 4.603 -0.173 19045 5387 1 7 . 1 1 164 164 HIS CA C 164 57.289 57.289 57.016 0.273 19045 5388 1 7 . 1 1 164 164 HIS CB C 164 28.766 28.766 30.410 -1.644 19045 5389 1 7 . 1 1 164 164 HIS H H 164 8.111 8.111 7.233 0.878 19045 5390 1 7 . 1 1 165 165 HIS N N 165 115.730 115.730 117.199 -1.469 19045 5391 1 7 . 1 1 165 165 HIS HA H 165 4.602 4.602 4.511 0.091 19045 5392 1 7 . 1 1 165 165 HIS CA C 165 54.752 54.752 55.469 -0.718 19045 5393 1 7 . 1 1 165 165 HIS CB C 165 26.766 26.766 29.545 -2.779 19045 5394 1 7 . 1 1 165 165 HIS H H 165 7.789 7.789 7.778 0.011 19045 5395 1 7 . 1 1 166 166 CYS N N 166 109.533 109.533 115.354 -5.821 19045 5396 1 7 . 1 1 166 166 CYS HA H 166 4.274 4.274 3.971 0.303 19045 5397 1 7 . 1 1 166 166 CYS CA C 166 61.452 61.452 60.300 1.152 19045 5398 1 7 . 1 1 166 166 CYS CB C 166 25.215 25.215 26.734 -1.519 19045 5399 1 7 . 1 1 166 166 CYS H H 166 7.761 7.761 8.202 -0.441 19045 5400 1 7 . 1 1 167 167 ILE N N 167 119.980 119.980 119.955 0.025 19045 5401 1 7 . 1 1 167 167 ILE HA H 167 3.563 3.563 3.712 -0.149 19045 5402 1 7 . 1 1 167 167 ILE CA C 167 62.212 62.212 63.504 -1.292 19045 5403 1 7 . 1 1 167 167 ILE CB C 167 35.969 35.969 36.341 -0.372 19045 5404 1 7 . 1 1 167 167 ILE H H 167 7.574 7.574 8.265 -0.691 19045 5405 1 7 . 1 1 168 168 ALA N N 168 121.737 121.737 122.475 -0.738 19045 5406 1 7 . 1 1 168 168 ALA HA H 168 3.775 3.775 3.940 -0.165 19045 5407 1 7 . 1 1 168 168 ALA CA C 168 55.082 55.082 55.723 -0.641 19045 5408 1 7 . 1 1 168 168 ALA CB C 168 16.505 16.505 18.224 -1.719 19045 5409 1 7 . 1 1 168 168 ALA H H 168 7.935 7.935 7.690 0.245 19045 5410 1 7 . 1 1 169 169 ARG N N 169 118.369 118.369 118.955 -0.586 19045 5411 1 7 . 1 1 169 169 ARG HA H 169 3.550 3.550 4.000 -0.450 19045 5412 1 7 . 1 1 169 169 ARG CA C 169 59.581 59.581 58.708 0.873 19045 5413 1 7 . 1 1 169 169 ARG CB C 169 29.380 29.380 29.482 -0.102 19045 5414 1 7 . 1 1 169 169 ARG H H 169 7.936 7.936 8.450 -0.514 19045 5415 1 7 . 1 1 170 170 TRP N N 170 121.173 121.173 121.778 -0.605 19045 5416 1 7 . 1 1 170 170 TRP HA H 170 3.763 3.763 4.204 -0.441 19045 5417 1 7 . 1 1 170 170 TRP CA C 170 62.080 62.080 61.067 1.013 19045 5418 1 7 . 1 1 170 170 TRP CB C 170 29.423 29.423 29.122 0.301 19045 5419 1 7 . 1 1 170 170 TRP H H 170 7.259 7.259 7.471 -0.212 19045 5420 1 7 . 1 1 171 171 ILE N N 171 117.994 117.994 118.707 -0.713 19045 5421 1 7 . 1 1 171 171 ILE HA H 171 2.864 2.864 2.962 -0.098 19045 5422 1 7 . 1 1 171 171 ILE CA C 171 65.347 65.347 64.817 0.531 19045 5423 1 7 . 1 1 171 171 ILE CB C 171 37.781 37.781 37.534 0.247 19045 5424 1 7 . 1 1 171 171 ILE H H 171 8.074 8.074 8.221 -0.147 19045 5425 1 7 . 1 1 172 172 ALA N N 172 123.588 123.588 120.728 2.860 19045 5426 1 7 . 1 1 172 172 ALA HA H 172 3.506 3.506 3.891 -0.385 19045 5427 1 7 . 1 1 172 172 ALA CA C 172 55.685 55.685 54.887 0.798 19045 5428 1 7 . 1 1 172 172 ALA CB C 172 17.050 17.050 18.310 -1.260 19045 5429 1 7 . 1 1 172 172 ALA H H 172 8.511 8.511 7.901 0.610 19045 5430 1 7 . 1 1 173 173 GLN N N 173 117.382 117.382 116.006 1.376 19045 5431 1 7 . 1 1 173 173 GLN HA H 173 3.854 3.854 3.978 -0.124 19045 5432 1 7 . 1 1 173 173 GLN CA C 173 57.904 57.904 57.586 0.319 19045 5433 1 7 . 1 1 173 173 GLN CB C 173 28.141 28.141 28.706 -0.565 19045 5434 1 7 . 1 1 173 173 GLN H H 173 7.898 7.898 7.607 0.291 19045 5435 1 7 . 1 1 174 174 ARG N N 174 116.800 116.800 116.255 0.545 19045 5436 1 7 . 1 1 174 174 ARG HA H 174 4.097 4.097 4.036 0.061 19045 5437 1 7 . 1 1 174 174 ARG CA C 174 55.395 55.395 55.969 -0.574 19045 5438 1 7 . 1 1 174 174 ARG CB C 174 29.652 29.652 30.299 -0.647 19045 5439 1 7 . 1 1 174 174 ARG H H 174 6.984 6.984 7.568 -0.584 19045 5440 1 7 . 1 1 175 175 GLY N N 175 104.194 104.194 105.458 -1.264 19045 5441 1 7 . 1 1 175 175 GLY CA C 175 44.340 44.340 44.618 -0.278 19045 5442 1 7 . 1 1 175 175 GLY H H 175 7.418 7.418 7.391 0.027 19045 5443 1 7 . 1 1 176 176 GLY N N 176 107.629 107.629 108.019 -0.390 19045 5444 1 7 . 1 1 176 176 GLY CA C 176 43.501 43.501 45.031 -1.530 19045 5445 1 7 . 1 1 176 176 GLY H H 176 8.072 8.072 7.645 0.427 19045 5446 1 7 . 1 1 177 177 TRP N N 177 117.887 117.887 121.047 -3.160 19045 5447 1 7 . 1 1 177 177 TRP HA H 177 4.476 4.476 4.834 -0.358 19045 5448 1 7 . 1 1 177 177 TRP CA C 177 61.083 61.083 59.327 1.756 19045 5449 1 7 . 1 1 177 177 TRP CB C 177 30.927 30.927 29.442 1.485 19045 5450 1 7 . 1 1 177 177 TRP H H 177 8.218 8.218 8.861 -0.643 19045 5451 1 7 . 1 1 178 178 VAL N N 178 112.929 112.929 119.590 -6.661 19045 5452 1 7 . 1 1 178 178 VAL HA H 178 3.688 3.688 3.899 -0.211 19045 5453 1 7 . 1 1 178 178 VAL CA C 178 64.680 64.680 63.591 1.089 19045 5454 1 7 . 1 1 178 178 VAL CB C 178 31.057 31.057 29.959 1.098 19045 5455 1 7 . 1 1 178 178 VAL H H 178 8.284 8.284 7.758 0.526 19045 5456 1 7 . 1 1 179 179 ALA N N 179 125.101 125.101 121.742 3.359 19045 5457 1 7 . 1 1 179 179 ALA HA H 179 4.009 4.009 4.435 -0.426 19045 5458 1 7 . 1 1 179 179 ALA CA C 179 54.344 54.344 52.264 2.079 19045 5459 1 7 . 1 1 179 179 ALA CB C 179 18.555 18.555 18.703 -0.148 19045 5460 1 7 . 1 1 179 179 ALA H H 179 7.670 7.670 7.717 -0.047 19045 5461 1 7 . 1 1 180 180 ALA N N 180 119.081 119.081 122.758 -3.677 19045 5462 1 7 . 1 1 180 180 ALA HA H 180 3.293 3.293 3.770 -0.477 19045 5463 1 7 . 1 1 180 180 ALA CA C 180 52.783 52.783 54.552 -1.769 19045 5464 1 7 . 1 1 180 180 ALA CB C 180 18.113 18.113 18.643 -0.530 19045 5465 1 7 . 1 1 180 180 ALA H H 180 8.058 8.058 7.461 0.597 19045 5466 1 7 . 1 1 181 181 LEU N N 181 114.169 114.169 113.325 0.844 19045 5467 1 7 . 1 1 181 181 LEU HA H 181 3.911 3.911 4.318 -0.407 19045 5468 1 7 . 1 1 181 181 LEU CA C 181 56.128 56.128 55.593 0.535 19045 5469 1 7 . 1 1 181 181 LEU CB C 181 40.955 40.955 40.087 0.868 19045 5470 1 7 . 1 1 181 181 LEU H H 181 7.342 7.342 7.977 -0.635 19045 5471 1 7 . 1 1 182 182 ASN N N 182 115.061 115.061 117.968 -2.907 19045 5472 1 7 . 1 1 182 182 ASN HA H 182 4.743 4.743 4.745 -0.002 19045 5473 1 7 . 1 1 182 182 ASN CA C 182 52.508 52.508 53.438 -0.930 19045 5474 1 7 . 1 1 182 182 ASN CB C 182 39.091 39.091 39.923 -0.832 19045 5475 1 7 . 1 1 182 182 ASN H H 182 7.289 7.289 7.445 -0.156 19045 5476 1 7 . 1 1 183 183 LEU N N 183 119.889 119.889 118.844 1.045 19045 5477 1 7 . 1 1 183 183 LEU HA H 183 4.125 4.125 4.590 -0.465 19045 5478 1 7 . 1 1 183 183 LEU CA C 183 55.201 55.201 54.055 1.146 19045 5479 1 7 . 1 1 183 183 LEU CB C 183 42.174 42.174 42.933 -0.759 19045 5480 1 7 . 1 1 183 183 LEU H H 183 7.148 7.148 7.227 -0.079 19045 5481 1 7 . 1 1 184 184 GLY N N 184 107.883 107.883 108.419 -0.536 19045 5482 1 7 . 1 1 184 184 GLY CA C 184 45.256 45.256 46.729 -1.473 19045 5483 1 7 . 1 1 184 184 GLY H H 184 8.486 8.486 8.488 -0.002 19045 5484 1 7 . 1 1 185 185 ASN N N 185 118.093 118.093 123.284 -5.191 19045 5485 1 7 . 1 1 185 185 ASN HA H 185 4.755 4.755 4.835 -0.080 19045 5486 1 7 . 1 1 185 185 ASN CA C 185 52.812 52.812 52.537 0.275 19045 5487 1 7 . 1 1 185 185 ASN CB C 185 39.297 39.297 39.242 0.055 19045 5488 1 7 . 1 1 185 185 ASN H H 185 8.074 8.074 8.498 -0.424 19045 5489 1 8 . 1 1 19 19 LEU N N 19 122.834 122.834 122.724 0.110 19045 5490 1 8 . 1 1 19 19 LEU HA H 19 4.523 4.523 4.744 -0.221 19045 5491 1 8 . 1 1 19 19 LEU CA C 19 52.690 52.690 52.777 -0.087 19045 5492 1 8 . 1 1 19 19 LEU CB C 19 41.808 41.808 41.611 0.197 19045 5493 1 8 . 1 1 19 19 LEU H H 19 8.080 8.080 7.944 0.136 19045 5494 1 8 . 1 1 20 20 PRO HA H 20 4.353 4.353 4.547 -0.194 19045 5495 1 8 . 1 1 20 20 PRO CA C 20 62.826 62.826 62.362 0.464 19045 5496 1 8 . 1 1 20 20 PRO CB C 20 31.969 31.969 32.325 -0.356 19045 5497 1 8 . 1 1 21 21 SER N N 21 116.268 116.268 114.129 2.139 19045 5498 1 8 . 1 1 21 21 SER HA H 21 4.249 4.249 4.442 -0.193 19045 5499 1 8 . 1 1 21 21 SER CA C 21 58.338 58.338 57.933 0.405 19045 5500 1 8 . 1 1 21 21 SER CB C 21 63.856 63.856 64.194 -0.337 19045 5501 1 8 . 1 1 21 21 SER H H 21 8.246 8.246 8.223 0.023 19045 5502 1 8 . 1 1 22 22 ALA N N 22 125.246 125.246 122.056 3.190 19045 5503 1 8 . 1 1 22 22 ALA HA H 22 4.405 4.405 4.448 -0.043 19045 5504 1 8 . 1 1 22 22 ALA CA C 22 52.086 52.086 51.743 0.343 19045 5505 1 8 . 1 1 22 22 ALA CB C 22 19.582 19.582 20.178 -0.596 19045 5506 1 8 . 1 1 22 22 ALA H H 22 8.192 8.192 8.254 -0.062 19045 5507 1 8 . 1 1 23 23 SER N N 23 114.236 114.236 113.857 0.379 19045 5508 1 8 . 1 1 23 23 SER HA H 23 4.469 4.469 4.958 -0.489 19045 5509 1 8 . 1 1 23 23 SER CA C 23 57.386 57.386 56.887 0.499 19045 5510 1 8 . 1 1 23 23 SER CB C 23 64.582 64.582 65.763 -1.181 19045 5511 1 8 . 1 1 23 23 SER H H 23 8.081 8.081 8.326 -0.245 19045 5512 1 8 . 1 1 24 24 GLU N N 24 124.005 124.005 122.776 1.229 19045 5513 1 8 . 1 1 24 24 GLU HA H 24 3.534 3.534 3.917 -0.383 19045 5514 1 8 . 1 1 24 24 GLU CA C 24 59.772 59.772 59.884 -0.112 19045 5515 1 8 . 1 1 24 24 GLU CB C 24 29.798 29.798 29.049 0.749 19045 5516 1 8 . 1 1 24 24 GLU H H 24 8.702 8.702 8.985 -0.283 19045 5517 1 8 . 1 1 25 25 GLU N N 25 118.390 118.390 119.196 -0.806 19045 5518 1 8 . 1 1 25 25 GLU HA H 25 3.796 3.796 3.943 -0.147 19045 5519 1 8 . 1 1 25 25 GLU CA C 25 59.939 59.939 59.217 0.722 19045 5520 1 8 . 1 1 25 25 GLU CB C 25 29.217 29.217 28.361 0.856 19045 5521 1 8 . 1 1 25 25 GLU H H 25 8.559 8.559 8.845 -0.286 19045 5522 1 8 . 1 1 26 26 GLN N N 26 120.776 120.776 119.266 1.510 19045 5523 1 8 . 1 1 26 26 GLN HA H 26 3.916 3.916 4.210 -0.294 19045 5524 1 8 . 1 1 26 26 GLN CA C 26 58.343 58.343 58.278 0.065 19045 5525 1 8 . 1 1 26 26 GLN CB C 26 28.119 28.119 28.233 -0.114 19045 5526 1 8 . 1 1 26 26 GLN H H 26 7.764 7.764 7.677 0.087 19045 5527 1 8 . 1 1 27 27 VAL N N 27 118.723 118.723 121.202 -2.479 19045 5528 1 8 . 1 1 27 27 VAL HA H 27 3.933 3.933 3.800 0.133 19045 5529 1 8 . 1 1 27 27 VAL CA C 27 66.285 66.285 66.532 -0.247 19045 5530 1 8 . 1 1 27 27 VAL CB C 27 31.596 31.596 31.033 0.563 19045 5531 1 8 . 1 1 27 27 VAL H H 27 8.062 8.062 8.118 -0.056 19045 5532 1 8 . 1 1 28 28 ALA N N 28 122.902 122.902 122.419 0.483 19045 5533 1 8 . 1 1 28 28 ALA HA H 28 4.026 4.026 3.938 0.088 19045 5534 1 8 . 1 1 28 28 ALA CA C 28 56.178 56.178 55.601 0.577 19045 5535 1 8 . 1 1 28 28 ALA CB C 28 18.463 18.463 18.084 0.379 19045 5536 1 8 . 1 1 28 28 ALA H H 28 8.412 8.412 8.337 0.075 19045 5537 1 8 . 1 1 29 29 GLN N N 29 117.996 117.996 118.418 -0.422 19045 5538 1 8 . 1 1 29 29 GLN HA H 29 4.084 4.084 3.908 0.176 19045 5539 1 8 . 1 1 29 29 GLN CA C 29 59.063 59.063 59.153 -0.090 19045 5540 1 8 . 1 1 29 29 GLN CB C 29 28.452 28.452 28.649 -0.197 19045 5541 1 8 . 1 1 29 29 GLN H H 29 7.900 7.900 7.845 0.055 19045 5542 1 8 . 1 1 30 30 ASP N N 30 121.907 121.907 119.379 2.528 19045 5543 1 8 . 1 1 30 30 ASP HA H 30 4.521 4.521 4.356 0.165 19045 5544 1 8 . 1 1 30 30 ASP CA C 30 57.038 57.038 57.220 -0.182 19045 5545 1 8 . 1 1 30 30 ASP CB C 30 41.939 41.939 40.335 1.604 19045 5546 1 8 . 1 1 30 30 ASP H H 30 8.888 8.888 8.242 0.646 19045 5547 1 8 . 1 1 31 31 THR N N 31 114.861 114.861 116.718 -1.857 19045 5548 1 8 . 1 1 31 31 THR HA H 31 3.493 3.493 3.323 0.170 19045 5549 1 8 . 1 1 31 31 THR CA C 31 66.946 66.946 67.040 -0.094 19045 5550 1 8 . 1 1 31 31 THR CB C 31 68.523 68.523 68.923 -0.400 19045 5551 1 8 . 1 1 31 31 THR H H 31 8.069 8.069 8.192 -0.123 19045 5552 1 8 . 1 1 32 32 GLU N N 32 120.848 120.848 120.768 0.080 19045 5553 1 8 . 1 1 32 32 GLU HA H 32 3.597 3.597 3.945 -0.348 19045 5554 1 8 . 1 1 32 32 GLU CA C 32 60.899 60.899 59.515 1.384 19045 5555 1 8 . 1 1 32 32 GLU CB C 32 28.963 28.963 28.762 0.201 19045 5556 1 8 . 1 1 32 32 GLU H H 32 7.578 7.578 8.113 -0.535 19045 5557 1 8 . 1 1 33 33 GLU N N 33 117.741 117.741 119.971 -2.230 19045 5558 1 8 . 1 1 33 33 GLU HA H 33 3.938 3.938 4.008 -0.070 19045 5559 1 8 . 1 1 33 33 GLU CA C 33 58.768 58.768 59.337 -0.569 19045 5560 1 8 . 1 1 33 33 GLU CB C 33 29.708 29.708 29.570 0.138 19045 5561 1 8 . 1 1 33 33 GLU H H 33 7.446 7.446 7.851 -0.405 19045 5562 1 8 . 1 1 34 34 VAL N N 34 120.239 120.239 119.491 0.748 19045 5563 1 8 . 1 1 34 34 VAL HA H 34 3.108 3.108 3.629 -0.521 19045 5564 1 8 . 1 1 34 34 VAL CA C 34 66.979 66.979 66.128 0.851 19045 5565 1 8 . 1 1 34 34 VAL CB C 34 31.884 31.884 30.813 1.071 19045 5566 1 8 . 1 1 34 34 VAL H H 34 7.792 7.792 8.116 -0.324 19045 5567 1 8 . 1 1 35 35 PHE N N 35 117.559 117.559 120.901 -3.342 19045 5568 1 8 . 1 1 35 35 PHE HA H 35 4.209 4.209 4.130 0.079 19045 5569 1 8 . 1 1 35 35 PHE CA C 35 61.592 61.592 61.817 -0.225 19045 5570 1 8 . 1 1 35 35 PHE CB C 35 39.066 39.066 38.972 0.094 19045 5571 1 8 . 1 1 35 35 PHE H H 35 8.895 8.895 8.538 0.357 19045 5572 1 8 . 1 1 36 36 ARG N N 36 116.705 116.705 119.004 -2.299 19045 5573 1 8 . 1 1 36 36 ARG HA H 36 3.555 3.555 3.749 -0.194 19045 5574 1 8 . 1 1 36 36 ARG CA C 36 59.906 59.906 59.276 0.630 19045 5575 1 8 . 1 1 36 36 ARG CB C 36 29.654 29.654 29.803 -0.149 19045 5576 1 8 . 1 1 36 36 ARG H H 36 8.182 8.182 8.169 0.013 19045 5577 1 8 . 1 1 37 37 SER N N 37 112.628 112.628 115.396 -2.768 19045 5578 1 8 . 1 1 37 37 SER HA H 37 4.122 4.122 4.149 -0.027 19045 5579 1 8 . 1 1 37 37 SER CA C 37 61.258 61.258 61.520 -0.262 19045 5580 1 8 . 1 1 37 37 SER CB C 37 63.089 63.089 62.932 0.157 19045 5581 1 8 . 1 1 37 37 SER H H 37 7.845 7.845 8.120 -0.275 19045 5582 1 8 . 1 1 38 38 TYR N N 38 122.458 122.458 124.347 -1.889 19045 5583 1 8 . 1 1 38 38 TYR HA H 38 3.927 3.927 4.041 -0.114 19045 5584 1 8 . 1 1 38 38 TYR CA C 38 62.006 62.006 62.014 -0.008 19045 5585 1 8 . 1 1 38 38 TYR CB C 38 38.892 38.892 38.406 0.486 19045 5586 1 8 . 1 1 38 38 TYR H H 38 8.793 8.793 8.160 0.633 19045 5587 1 8 . 1 1 39 39 VAL N N 39 115.951 115.951 117.451 -1.500 19045 5588 1 8 . 1 1 39 39 VAL HA H 39 3.209 3.209 3.305 -0.096 19045 5589 1 8 . 1 1 39 39 VAL CA C 39 65.982 65.982 65.432 0.550 19045 5590 1 8 . 1 1 39 39 VAL CB C 39 30.884 30.884 30.574 0.310 19045 5591 1 8 . 1 1 39 39 VAL H H 39 8.348 8.348 7.968 0.380 19045 5592 1 8 . 1 1 40 40 PHE N N 40 119.608 119.608 121.683 -2.075 19045 5593 1 8 . 1 1 40 40 PHE HA H 40 3.915 3.915 4.101 -0.186 19045 5594 1 8 . 1 1 40 40 PHE CA C 40 61.651 61.651 61.493 0.158 19045 5595 1 8 . 1 1 40 40 PHE CB C 40 39.411 39.411 39.259 0.152 19045 5596 1 8 . 1 1 40 40 PHE H H 40 7.596 7.596 7.940 -0.344 19045 5597 1 8 . 1 1 41 41 TYR N N 41 117.686 117.686 119.265 -1.579 19045 5598 1 8 . 1 1 41 41 TYR HA H 41 3.818 3.818 3.798 0.020 19045 5599 1 8 . 1 1 41 41 TYR CA C 41 63.446 63.446 60.167 3.279 19045 5600 1 8 . 1 1 41 41 TYR CB C 41 37.528 37.528 37.791 -0.263 19045 5601 1 8 . 1 1 41 41 TYR H H 41 8.578 8.578 8.262 0.316 19045 5602 1 8 . 1 1 42 42 ARG N N 42 121.382 121.382 119.550 1.832 19045 5603 1 8 . 1 1 42 42 ARG HA H 42 3.581 3.581 3.622 -0.041 19045 5604 1 8 . 1 1 42 42 ARG CA C 42 57.999 57.999 60.013 -2.014 19045 5605 1 8 . 1 1 42 42 ARG CB C 42 26.992 26.992 29.858 -2.866 19045 5606 1 8 . 1 1 42 42 ARG H H 42 8.784 8.784 8.493 0.291 19045 5607 1 8 . 1 1 43 43 HIS N N 43 118.684 118.684 118.218 0.466 19045 5608 1 8 . 1 1 43 43 HIS HA H 43 4.291 4.291 4.156 0.135 19045 5609 1 8 . 1 1 43 43 HIS CA C 43 60.041 60.041 60.080 -0.039 19045 5610 1 8 . 1 1 43 43 HIS CB C 43 27.938 27.938 29.613 -1.675 19045 5611 1 8 . 1 1 43 43 HIS H H 43 8.268 8.268 7.962 0.306 19045 5612 1 8 . 1 1 44 44 GLN N N 44 117.841 117.841 119.077 -1.236 19045 5613 1 8 . 1 1 44 44 GLN HA H 44 3.638 3.638 3.735 -0.097 19045 5614 1 8 . 1 1 44 44 GLN CA C 44 58.681 58.681 59.072 -0.391 19045 5615 1 8 . 1 1 44 44 GLN CB C 44 28.977 28.977 28.230 0.747 19045 5616 1 8 . 1 1 44 44 GLN H H 44 7.722 7.722 7.770 -0.048 19045 5617 1 8 . 1 1 45 45 GLN N N 45 117.756 117.756 117.428 0.328 19045 5618 1 8 . 1 1 45 45 GLN HA H 45 3.932 3.932 4.048 -0.116 19045 5619 1 8 . 1 1 45 45 GLN CA C 45 57.923 57.923 58.298 -0.375 19045 5620 1 8 . 1 1 45 45 GLN CB C 45 28.039 28.039 28.807 -0.768 19045 5621 1 8 . 1 1 45 45 GLN H H 45 7.808 7.808 7.588 0.220 19045 5622 1 8 . 1 1 46 46 GLU N N 46 119.876 119.876 119.668 0.208 19045 5623 1 8 . 1 1 46 46 GLU HA H 46 3.951 3.951 3.934 0.017 19045 5624 1 8 . 1 1 46 46 GLU CA C 46 58.956 58.956 59.389 -0.433 19045 5625 1 8 . 1 1 46 46 GLU CB C 46 29.166 29.166 28.834 0.332 19045 5626 1 8 . 1 1 46 46 GLU H H 46 7.781 7.781 8.404 -0.623 19045 5627 1 8 . 1 1 47 47 GLN N N 47 118.282 118.282 117.669 0.613 19045 5628 1 8 . 1 1 47 47 GLN HA H 47 3.800 3.800 4.120 -0.320 19045 5629 1 8 . 1 1 47 47 GLN CA C 47 57.892 57.892 58.603 -0.711 19045 5630 1 8 . 1 1 47 47 GLN CB C 47 28.662 28.662 28.499 0.163 19045 5631 1 8 . 1 1 47 47 GLN H H 47 7.775 7.775 7.868 -0.093 19045 5632 1 8 . 1 1 48 48 GLU N N 48 118.519 118.519 117.824 0.695 19045 5633 1 8 . 1 1 48 48 GLU HA H 48 4.009 4.009 4.074 -0.065 19045 5634 1 8 . 1 1 48 48 GLU CA C 48 57.586 57.586 58.519 -0.933 19045 5635 1 8 . 1 1 48 48 GLU CB C 48 28.922 28.922 29.229 -0.307 19045 5636 1 8 . 1 1 48 48 GLU H H 48 7.721 7.721 8.048 -0.327 19045 5637 1 8 . 1 1 49 49 ALA N N 49 121.657 121.657 121.848 -0.191 19045 5638 1 8 . 1 1 49 49 ALA HA H 49 4.140 4.140 4.326 -0.186 19045 5639 1 8 . 1 1 49 49 ALA CA C 49 53.389 53.389 53.119 0.270 19045 5640 1 8 . 1 1 49 49 ALA CB C 49 19.111 19.111 20.050 -0.939 19045 5641 1 8 . 1 1 49 49 ALA H H 49 7.675 7.675 7.820 -0.145 19045 5642 1 8 . 1 1 50 50 GLU N N 50 116.803 116.803 113.554 3.249 19045 5643 1 8 . 1 1 50 50 GLU HA H 50 4.182 4.182 4.461 -0.279 19045 5644 1 8 . 1 1 50 50 GLU CA C 50 56.420 56.420 55.445 0.975 19045 5645 1 8 . 1 1 50 50 GLU CB C 50 29.798 29.798 31.433 -1.635 19045 5646 1 8 . 1 1 50 50 GLU H H 50 8.106 8.106 8.366 -0.260 19045 5647 1 8 . 1 1 51 51 GLY N N 51 109.812 109.812 106.829 2.983 19045 5648 1 8 . 1 1 51 51 GLY CA C 51 45.739 45.739 44.735 1.004 19045 5649 1 8 . 1 1 51 51 GLY H H 51 8.060 8.060 8.253 -0.193 19045 5650 1 8 . 1 1 52 52 VAL N N 52 118.668 118.668 118.449 0.219 19045 5651 1 8 . 1 1 52 52 VAL HA H 52 4.001 4.001 3.842 0.159 19045 5652 1 8 . 1 1 52 52 VAL CA C 52 62.175 62.175 64.072 -1.897 19045 5653 1 8 . 1 1 52 52 VAL CB C 52 32.294 32.294 31.433 0.861 19045 5654 1 8 . 1 1 52 52 VAL H H 52 7.718 7.718 8.044 -0.326 19045 5655 1 8 . 1 1 53 53 ALA N N 53 125.624 125.624 126.116 -0.492 19045 5656 1 8 . 1 1 53 53 ALA HA H 53 4.220 4.220 4.101 0.119 19045 5657 1 8 . 1 1 53 53 ALA CA C 53 51.869 51.869 52.496 -0.627 19045 5658 1 8 . 1 1 53 53 ALA CB C 53 19.065 19.065 17.466 1.599 19045 5659 1 8 . 1 1 53 53 ALA H H 53 8.073 8.073 8.731 -0.658 19045 5660 1 8 . 1 1 54 54 ALA N N 54 123.638 123.638 122.079 1.559 19045 5661 1 8 . 1 1 54 54 ALA HA H 54 4.472 4.472 4.424 0.048 19045 5662 1 8 . 1 1 54 54 ALA CA C 54 49.869 49.869 50.894 -1.025 19045 5663 1 8 . 1 1 54 54 ALA CB C 54 18.488 18.488 19.206 -0.718 19045 5664 1 8 . 1 1 54 54 ALA H H 54 7.718 7.718 7.700 0.018 19045 5665 1 8 . 1 1 55 55 PRO HA H 55 4.292 4.292 4.457 -0.165 19045 5666 1 8 . 1 1 55 55 PRO CA C 55 62.966 62.966 63.277 -0.311 19045 5667 1 8 . 1 1 55 55 PRO CB C 55 31.754 31.754 32.213 -0.459 19045 5668 1 8 . 1 1 56 56 ALA N N 56 124.218 124.218 126.377 -2.159 19045 5669 1 8 . 1 1 56 56 ALA HA H 56 4.220 4.220 4.468 -0.248 19045 5670 1 8 . 1 1 56 56 ALA CB C 56 19.119 19.119 19.561 -0.442 19045 5671 1 8 . 1 1 56 56 ALA H H 56 8.259 8.259 8.503 -0.244 19045 5672 1 8 . 1 1 57 57 ASP N N 57 120.884 120.884 120.126 0.758 19045 5673 1 8 . 1 1 57 57 ASP HA H 57 4.572 4.572 5.165 -0.593 19045 5674 1 8 . 1 1 57 57 ASP CA C 57 52.742 52.742 51.200 1.542 19045 5675 1 8 . 1 1 57 57 ASP CB C 57 41.642 41.642 41.465 0.177 19045 5676 1 8 . 1 1 57 57 ASP H H 57 7.829 7.829 8.461 -0.632 19045 5677 1 8 . 1 1 58 58 PRO HA H 58 4.052 4.052 4.467 -0.415 19045 5678 1 8 . 1 1 58 58 PRO CA C 58 64.128 64.128 63.633 0.495 19045 5679 1 8 . 1 1 58 58 PRO CB C 58 31.989 31.989 32.612 -0.623 19045 5680 1 8 . 1 1 59 59 GLU HA H 59 4.549 4.549 4.385 0.164 19045 5681 1 8 . 1 1 59 59 GLU CA C 59 54.266 54.266 56.021 -1.755 19045 5682 1 8 . 1 1 59 59 GLU CB C 59 29.285 29.285 31.116 -1.831 19045 5683 1 8 . 1 1 60 60 MET HA H 60 3.846 3.846 4.171 -0.325 19045 5684 1 8 . 1 1 60 60 MET CA C 60 57.219 57.219 58.327 -1.108 19045 5685 1 8 . 1 1 60 60 MET CB C 60 31.894 31.894 32.694 -0.800 19045 5686 1 8 . 1 1 60 60 MET H H 60 7.070 7.070 8.755 -1.685 19045 5687 1 8 . 1 1 61 61 VAL N N 61 113.014 113.014 114.741 -1.727 19045 5688 1 8 . 1 1 61 61 VAL HA H 61 4.051 4.051 3.879 0.172 19045 5689 1 8 . 1 1 61 61 VAL CA C 61 62.799 62.799 63.204 -0.405 19045 5690 1 8 . 1 1 61 61 VAL CB C 61 31.993 31.993 31.877 0.116 19045 5691 1 8 . 1 1 61 61 VAL H H 61 6.833 6.833 7.697 -0.864 19045 5692 1 8 . 1 1 62 62 THR N N 62 110.188 110.188 111.626 -1.438 19045 5693 1 8 . 1 1 62 62 THR HA H 62 4.230 4.230 3.753 0.477 19045 5694 1 8 . 1 1 62 62 THR CA C 62 60.947 60.947 63.368 -2.421 19045 5695 1 8 . 1 1 62 62 THR CB C 62 69.192 69.192 68.203 0.990 19045 5696 1 8 . 1 1 62 62 THR H H 62 7.101 7.101 7.595 -0.494 19045 5697 1 8 . 1 1 63 63 LEU N N 63 125.158 125.158 123.715 1.443 19045 5698 1 8 . 1 1 63 63 LEU HA H 63 4.205 4.205 4.740 -0.535 19045 5699 1 8 . 1 1 63 63 LEU CA C 63 52.688 52.688 51.201 1.487 19045 5700 1 8 . 1 1 63 63 LEU CB C 63 42.252 42.252 41.838 0.414 19045 5701 1 8 . 1 1 63 63 LEU H H 63 7.079 7.079 8.520 -1.441 19045 5702 1 8 . 1 1 64 64 PRO HA H 64 4.282 4.282 4.413 -0.131 19045 5703 1 8 . 1 1 64 64 PRO CA C 64 62.613 62.613 62.563 0.050 19045 5704 1 8 . 1 1 64 64 PRO CB C 64 30.705 30.705 29.592 1.113 19045 5705 1 8 . 1 1 65 65 LEU N N 65 122.384 122.384 119.361 3.023 19045 5706 1 8 . 1 1 65 65 LEU HA H 65 4.234 4.234 4.577 -0.343 19045 5707 1 8 . 1 1 65 65 LEU CA C 65 54.499 54.499 54.021 0.478 19045 5708 1 8 . 1 1 65 65 LEU CB C 65 43.438 43.438 43.056 0.382 19045 5709 1 8 . 1 1 65 65 LEU H H 65 7.653 7.653 7.578 0.075 19045 5710 1 8 . 1 1 66 66 GLN N N 66 121.802 121.802 120.038 1.764 19045 5711 1 8 . 1 1 66 66 GLN HA H 66 4.209 4.209 4.832 -0.623 19045 5712 1 8 . 1 1 66 66 GLN CA C 66 52.783 52.783 52.546 0.237 19045 5713 1 8 . 1 1 66 66 GLN CB C 66 28.136 28.136 29.378 -1.242 19045 5714 1 8 . 1 1 66 66 GLN H H 66 8.634 8.634 8.769 -0.135 19045 5715 1 8 . 1 1 67 67 PRO HA H 67 4.139 4.139 4.477 -0.338 19045 5716 1 8 . 1 1 67 67 PRO CA C 67 64.488 64.488 64.114 0.374 19045 5717 1 8 . 1 1 67 67 PRO CB C 67 32.003 32.003 32.033 -0.030 19045 5718 1 8 . 1 1 68 68 SER N N 68 111.024 111.024 112.916 -1.892 19045 5719 1 8 . 1 1 68 68 SER HA H 68 4.313 4.313 4.441 -0.128 19045 5720 1 8 . 1 1 68 68 SER CA C 68 57.991 57.991 58.803 -0.812 19045 5721 1 8 . 1 1 68 68 SER CB C 68 63.252 63.252 63.459 -0.207 19045 5722 1 8 . 1 1 68 68 SER H H 68 8.119 8.119 8.250 -0.131 19045 5723 1 8 . 1 1 69 69 SER N N 69 117.598 117.598 116.853 0.745 19045 5724 1 8 . 1 1 69 69 SER HA H 69 4.440 4.440 4.631 -0.191 19045 5725 1 8 . 1 1 69 69 SER CA C 69 57.518 57.518 57.378 0.140 19045 5726 1 8 . 1 1 69 69 SER CB C 69 64.587 64.587 64.761 -0.174 19045 5727 1 8 . 1 1 69 69 SER H H 69 7.723 7.723 7.494 0.229 19045 5728 1 8 . 1 1 70 70 THR N N 70 121.887 121.887 120.795 1.092 19045 5729 1 8 . 1 1 70 70 THR HA H 70 3.873 3.873 4.020 -0.147 19045 5730 1 8 . 1 1 70 70 THR CA C 70 66.723 66.723 66.559 0.164 19045 5731 1 8 . 1 1 70 70 THR CB C 70 68.385 68.385 68.906 -0.521 19045 5732 1 8 . 1 1 70 70 THR H H 70 8.827 8.827 8.757 0.070 19045 5733 1 8 . 1 1 71 71 MET N N 71 117.344 117.344 117.574 -0.230 19045 5734 1 8 . 1 1 71 71 MET HA H 71 4.469 4.469 4.249 0.220 19045 5735 1 8 . 1 1 71 71 MET CA C 71 56.260 56.260 57.352 -1.092 19045 5736 1 8 . 1 1 71 71 MET CB C 71 31.696 31.696 31.017 0.679 19045 5737 1 8 . 1 1 71 71 MET H H 71 8.454 8.454 8.321 0.133 19045 5738 1 8 . 1 1 72 72 GLY N N 72 108.884 108.884 105.524 3.360 19045 5739 1 8 . 1 1 72 72 GLY CA C 72 46.884 46.884 46.593 0.291 19045 5740 1 8 . 1 1 72 72 GLY H H 72 7.979 7.979 8.236 -0.257 19045 5741 1 8 . 1 1 73 73 GLN N N 73 121.522 121.522 120.928 0.594 19045 5742 1 8 . 1 1 73 73 GLN HA H 73 3.857 3.857 4.238 -0.381 19045 5743 1 8 . 1 1 73 73 GLN CA C 73 58.220 58.220 58.135 0.085 19045 5744 1 8 . 1 1 73 73 GLN CB C 73 28.309 28.309 28.359 -0.050 19045 5745 1 8 . 1 1 73 73 GLN H H 73 7.859 7.859 7.655 0.204 19045 5746 1 8 . 1 1 74 74 VAL N N 74 121.291 121.291 122.117 -0.826 19045 5747 1 8 . 1 1 74 74 VAL HA H 74 3.359 3.359 3.702 -0.343 19045 5748 1 8 . 1 1 74 74 VAL CA C 74 67.150 67.150 66.338 0.812 19045 5749 1 8 . 1 1 74 74 VAL CB C 74 31.249 31.249 31.312 -0.063 19045 5750 1 8 . 1 1 74 74 VAL H H 74 8.155 8.155 7.371 0.784 19045 5751 1 8 . 1 1 75 75 GLY N N 75 105.037 105.037 105.556 -0.519 19045 5752 1 8 . 1 1 75 75 GLY CA C 75 48.385 48.385 47.221 1.164 19045 5753 1 8 . 1 1 75 75 GLY H H 75 8.154 8.154 7.742 0.412 19045 5754 1 8 . 1 1 76 76 ARG N N 76 119.292 119.292 120.785 -1.493 19045 5755 1 8 . 1 1 76 76 ARG HA H 76 3.320 3.320 4.189 -0.869 19045 5756 1 8 . 1 1 76 76 ARG CA C 76 59.540 59.540 59.825 -0.285 19045 5757 1 8 . 1 1 76 76 ARG CB C 76 30.130 30.130 30.327 -0.197 19045 5758 1 8 . 1 1 76 76 ARG H H 76 7.512 7.512 7.664 -0.152 19045 5759 1 8 . 1 1 77 77 GLN N N 77 118.008 118.008 119.133 -1.125 19045 5760 1 8 . 1 1 77 77 GLN HA H 77 3.951 3.951 4.130 -0.179 19045 5761 1 8 . 1 1 77 77 GLN CA C 77 58.337 58.337 58.722 -0.385 19045 5762 1 8 . 1 1 77 77 GLN CB C 77 27.512 27.512 27.956 -0.444 19045 5763 1 8 . 1 1 77 77 GLN H H 77 7.852 7.852 7.772 0.080 19045 5764 1 8 . 1 1 78 78 LEU N N 78 116.018 116.018 119.807 -3.789 19045 5765 1 8 . 1 1 78 78 LEU HA H 78 4.078 4.078 3.957 0.121 19045 5766 1 8 . 1 1 78 78 LEU CA C 78 57.391 57.391 58.018 -0.627 19045 5767 1 8 . 1 1 78 78 LEU CB C 78 40.999 40.999 41.629 -0.630 19045 5768 1 8 . 1 1 78 78 LEU H H 78 8.412 8.412 8.295 0.117 19045 5769 1 8 . 1 1 79 79 ALA N N 79 120.914 120.914 119.574 1.340 19045 5770 1 8 . 1 1 79 79 ALA HA H 79 3.896 3.896 4.074 -0.178 19045 5771 1 8 . 1 1 79 79 ALA CA C 79 54.789 54.789 54.762 0.027 19045 5772 1 8 . 1 1 79 79 ALA CB C 79 17.880 17.880 18.354 -0.474 19045 5773 1 8 . 1 1 79 79 ALA H H 79 7.789 7.789 8.066 -0.277 19045 5774 1 8 . 1 1 80 80 ILE N N 80 117.984 117.984 118.050 -0.066 19045 5775 1 8 . 1 1 80 80 ILE HA H 80 3.895 3.895 3.811 0.084 19045 5776 1 8 . 1 1 80 80 ILE CA C 80 63.576 63.576 64.829 -1.253 19045 5777 1 8 . 1 1 80 80 ILE CB C 80 38.607 38.607 38.578 0.029 19045 5778 1 8 . 1 1 80 80 ILE H H 80 7.690 7.690 7.452 0.238 19045 5779 1 8 . 1 1 81 81 ILE HA H 81 3.984 3.984 4.005 -0.021 19045 5780 1 8 . 1 1 81 81 ILE CA C 81 63.608 63.608 63.809 -0.201 19045 5781 1 8 . 1 1 81 81 ILE CB C 81 37.587 37.587 37.541 0.046 19045 5782 1 8 . 1 1 81 81 ILE H H 81 7.910 7.910 7.955 -0.045 19045 5783 1 8 . 1 1 82 82 GLY CA C 82 45.566 45.566 44.871 0.695 19045 5784 1 8 . 1 1 82 82 GLY H H 82 7.765 7.765 8.156 -0.391 19045 5785 1 8 . 1 1 83 83 ASP N N 83 119.914 119.914 122.875 -2.961 19045 5786 1 8 . 1 1 83 83 ASP HA H 83 4.332 4.332 4.358 -0.026 19045 5787 1 8 . 1 1 83 83 ASP CA C 83 58.161 58.161 57.653 0.508 19045 5788 1 8 . 1 1 83 83 ASP CB C 83 41.771 41.771 41.089 0.682 19045 5789 1 8 . 1 1 83 83 ASP H H 83 7.400 7.400 7.667 -0.267 19045 5790 1 8 . 1 1 84 84 ASP N N 84 116.566 116.566 119.167 -2.601 19045 5791 1 8 . 1 1 84 84 ASP HA H 84 4.200 4.200 4.371 -0.171 19045 5792 1 8 . 1 1 84 84 ASP CA C 84 57.270 57.270 57.814 -0.544 19045 5793 1 8 . 1 1 84 84 ASP CB C 84 40.593 40.593 40.771 -0.178 19045 5794 1 8 . 1 1 84 84 ASP H H 84 8.523 8.523 8.112 0.411 19045 5795 1 8 . 1 1 85 85 ILE N N 85 120.454 120.454 119.082 1.372 19045 5796 1 8 . 1 1 85 85 ILE HA H 85 3.753 3.753 3.857 -0.104 19045 5797 1 8 . 1 1 85 85 ILE CA C 85 63.782 63.782 64.803 -1.021 19045 5798 1 8 . 1 1 85 85 ILE CB C 85 37.546 37.546 37.190 0.356 19045 5799 1 8 . 1 1 85 85 ILE H H 85 7.707 7.707 8.192 -0.485 19045 5800 1 8 . 1 1 86 86 ASN N N 86 118.583 118.583 118.808 -0.225 19045 5801 1 8 . 1 1 86 86 ASN HA H 86 4.472 4.472 4.581 -0.109 19045 5802 1 8 . 1 1 86 86 ASN CA C 86 56.087 56.087 56.272 -0.185 19045 5803 1 8 . 1 1 86 86 ASN CB C 86 37.614 37.614 38.265 -0.651 19045 5804 1 8 . 1 1 86 86 ASN H H 86 8.440 8.440 8.152 0.288 19045 5805 1 8 . 1 1 87 87 ARG N N 87 117.819 117.819 119.011 -1.192 19045 5806 1 8 . 1 1 87 87 ARG HA H 87 4.043 4.043 3.982 0.061 19045 5807 1 8 . 1 1 87 87 ARG CA C 87 59.035 59.035 58.780 0.255 19045 5808 1 8 . 1 1 87 87 ARG CB C 87 29.845 29.845 29.644 0.201 19045 5809 1 8 . 1 1 87 87 ARG H H 87 8.214 8.214 8.030 0.184 19045 5810 1 8 . 1 1 88 88 ARG N N 88 117.971 117.971 117.889 0.082 19045 5811 1 8 . 1 1 88 88 ARG HA H 88 3.965 3.965 3.991 -0.026 19045 5812 1 8 . 1 1 88 88 ARG CA C 88 58.161 58.161 58.901 -0.741 19045 5813 1 8 . 1 1 88 88 ARG CB C 88 30.376 30.376 30.762 -0.386 19045 5814 1 8 . 1 1 88 88 ARG H H 88 7.438 7.438 7.967 -0.529 19045 5815 1 8 . 1 1 89 89 TYR N N 89 114.591 114.591 114.786 -0.195 19045 5816 1 8 . 1 1 89 89 TYR HA H 89 4.753 4.753 4.600 0.153 19045 5817 1 8 . 1 1 89 89 TYR CA C 89 59.481 59.481 59.810 -0.329 19045 5818 1 8 . 1 1 89 89 TYR CB C 89 39.610 39.610 39.659 -0.049 19045 5819 1 8 . 1 1 89 89 TYR H H 89 7.635 7.635 8.250 -0.615 19045 5820 1 8 . 1 1 90 90 ASP HA H 90 4.820 4.820 4.407 0.413 19045 5821 1 8 . 1 1 90 90 ASP CA C 90 58.200 58.200 57.575 0.625 19045 5822 1 8 . 1 1 90 90 ASP CB C 90 41.407 41.407 40.788 0.620 19045 5823 1 8 . 1 1 90 90 ASP H H 90 8.282 8.282 8.104 0.178 19045 5824 1 8 . 1 1 91 91 SER N N 91 115.266 115.266 115.334 -0.068 19045 5825 1 8 . 1 1 91 91 SER HA H 91 4.170 4.170 4.277 -0.107 19045 5826 1 8 . 1 1 91 91 SER CA C 91 61.780 61.780 61.779 0.000 19045 5827 1 8 . 1 1 91 91 SER CB C 91 61.891 61.891 63.063 -1.172 19045 5828 1 8 . 1 1 91 91 SER H H 91 8.717 8.717 8.259 0.458 19045 5829 1 8 . 1 1 92 92 GLU N N 92 122.093 122.093 122.011 0.082 19045 5830 1 8 . 1 1 92 92 GLU HA H 92 4.056 4.056 4.163 -0.107 19045 5831 1 8 . 1 1 92 92 GLU CA C 92 58.928 58.928 58.536 0.392 19045 5832 1 8 . 1 1 92 92 GLU CB C 92 29.796 29.796 29.324 0.472 19045 5833 1 8 . 1 1 92 92 GLU H H 92 8.025 8.025 7.918 0.107 19045 5834 1 8 . 1 1 93 93 PHE HA H 93 4.171 4.171 4.080 0.091 19045 5835 1 8 . 1 1 93 93 PHE CA C 93 60.704 60.704 60.505 0.199 19045 5836 1 8 . 1 1 93 93 PHE CB C 93 38.780 38.780 39.169 -0.389 19045 5837 1 8 . 1 1 93 93 PHE H H 93 7.801 7.801 8.400 -0.599 19045 5838 1 8 . 1 1 94 94 GLN N N 94 118.578 118.578 116.397 2.181 19045 5839 1 8 . 1 1 94 94 GLN HA H 94 3.847 3.847 3.666 0.181 19045 5840 1 8 . 1 1 94 94 GLN CA C 94 59.981 59.981 58.807 1.174 19045 5841 1 8 . 1 1 94 94 GLN CB C 94 28.415 28.415 27.893 0.522 19045 5842 1 8 . 1 1 94 94 GLN H H 94 8.609 8.609 7.945 0.664 19045 5843 1 8 . 1 1 95 95 THR N N 95 116.128 116.128 117.635 -1.507 19045 5844 1 8 . 1 1 95 95 THR HA H 95 3.811 3.811 3.995 -0.184 19045 5845 1 8 . 1 1 95 95 THR CA C 95 66.391 66.391 66.368 0.023 19045 5846 1 8 . 1 1 95 95 THR CB C 95 68.361 68.361 68.468 -0.107 19045 5847 1 8 . 1 1 95 95 THR H H 95 7.826 7.826 7.931 -0.105 19045 5848 1 8 . 1 1 96 96 MET N N 96 120.474 120.474 118.566 1.908 19045 5849 1 8 . 1 1 96 96 MET HA H 96 3.933 3.933 3.365 0.568 19045 5850 1 8 . 1 1 96 96 MET CA C 96 59.949 59.949 57.903 2.046 19045 5851 1 8 . 1 1 96 96 MET CB C 96 33.087 33.087 31.968 1.119 19045 5852 1 8 . 1 1 96 96 MET H H 96 7.728 7.728 7.278 0.450 19045 5853 1 8 . 1 1 97 97 LEU N N 97 118.904 118.904 120.988 -2.084 19045 5854 1 8 . 1 1 97 97 LEU HA H 97 3.604 3.604 3.600 0.004 19045 5855 1 8 . 1 1 97 97 LEU CA C 97 57.771 57.771 57.368 0.403 19045 5856 1 8 . 1 1 97 97 LEU CB C 97 40.836 40.836 41.020 -0.185 19045 5857 1 8 . 1 1 97 97 LEU H H 97 8.112 8.112 7.723 0.389 19045 5858 1 8 . 1 1 98 98 GLN N N 98 116.798 116.798 116.221 0.577 19045 5859 1 8 . 1 1 98 98 GLN HA H 98 4.003 4.003 4.060 -0.057 19045 5860 1 8 . 1 1 98 98 GLN CA C 98 58.337 58.337 58.295 0.042 19045 5861 1 8 . 1 1 98 98 GLN CB C 98 27.659 27.659 28.792 -1.133 19045 5862 1 8 . 1 1 98 98 GLN H H 98 7.754 7.754 7.684 0.070 19045 5863 1 8 . 1 1 99 99 HIS N N 99 115.943 115.943 117.188 -1.245 19045 5864 1 8 . 1 1 99 99 HIS HA H 99 4.442 4.442 4.295 0.147 19045 5865 1 8 . 1 1 99 99 HIS CA C 99 57.025 57.025 57.657 -0.632 19045 5866 1 8 . 1 1 99 99 HIS CB C 99 28.848 28.848 29.772 -0.924 19045 5867 1 8 . 1 1 99 99 HIS H H 99 7.504 7.504 7.477 0.027 19045 5868 1 8 . 1 1 100 100 LEU N N 100 121.347 121.347 119.445 1.902 19045 5869 1 8 . 1 1 100 100 LEU HA H 100 3.803 3.803 4.004 -0.201 19045 5870 1 8 . 1 1 100 100 LEU CA C 100 56.801 56.801 56.533 0.268 19045 5871 1 8 . 1 1 100 100 LEU CB C 100 42.563 42.563 42.415 0.148 19045 5872 1 8 . 1 1 100 100 LEU H H 100 8.013 8.013 7.596 0.417 19045 5873 1 8 . 1 1 101 101 GLN N N 101 110.029 110.029 115.463 -5.434 19045 5874 1 8 . 1 1 101 101 GLN HA H 101 4.003 4.003 4.168 -0.165 19045 5875 1 8 . 1 1 101 101 GLN CA C 101 55.685 55.685 55.645 0.040 19045 5876 1 8 . 1 1 101 101 GLN CB C 101 27.301 27.301 26.726 0.575 19045 5877 1 8 . 1 1 101 101 GLN H H 101 7.763 7.763 7.734 0.029 19045 5878 1 8 . 1 1 102 102 PRO HA H 102 4.926 4.926 4.661 0.265 19045 5879 1 8 . 1 1 102 102 PRO CA C 102 62.372 62.372 63.016 -0.644 19045 5880 1 8 . 1 1 102 102 PRO CB C 102 31.963 31.963 32.933 -0.970 19045 5881 1 8 . 1 1 103 103 THR N N 103 114.119 114.119 108.020 6.099 19045 5882 1 8 . 1 1 103 103 THR HA H 103 4.420 4.420 4.480 -0.060 19045 5883 1 8 . 1 1 103 103 THR CA C 103 58.716 58.716 59.547 -0.831 19045 5884 1 8 . 1 1 103 103 THR CB C 103 72.929 72.929 72.160 0.769 19045 5885 1 8 . 1 1 103 103 THR H H 103 9.386 9.386 8.105 1.281 19045 5886 1 8 . 1 1 104 104 ALA N N 104 120.374 120.374 121.616 -1.242 19045 5887 1 8 . 1 1 104 104 ALA HA H 104 3.737 3.737 3.984 -0.247 19045 5888 1 8 . 1 1 104 104 ALA CA C 104 54.782 54.782 54.019 0.763 19045 5889 1 8 . 1 1 104 104 ALA CB C 104 18.050 18.050 18.006 0.044 19045 5890 1 8 . 1 1 104 104 ALA H H 104 8.723 8.723 8.362 0.361 19045 5891 1 8 . 1 1 105 105 GLU N N 105 113.834 113.834 115.303 -1.469 19045 5892 1 8 . 1 1 105 105 GLU HA H 105 4.122 4.122 4.325 -0.203 19045 5893 1 8 . 1 1 105 105 GLU CA C 105 58.707 58.707 58.570 0.137 19045 5894 1 8 . 1 1 105 105 GLU CB C 105 29.445 29.445 29.425 0.020 19045 5895 1 8 . 1 1 105 105 GLU H H 105 7.969 7.969 8.372 -0.403 19045 5896 1 8 . 1 1 106 106 ASN N N 106 114.135 114.135 117.148 -3.013 19045 5897 1 8 . 1 1 106 106 ASN HA H 106 4.781 4.781 4.272 0.509 19045 5898 1 8 . 1 1 106 106 ASN CA C 106 52.222 52.222 52.274 -0.052 19045 5899 1 8 . 1 1 106 106 ASN CB C 106 38.983 38.983 38.435 0.548 19045 5900 1 8 . 1 1 106 106 ASN H H 106 7.151 7.151 7.681 -0.530 19045 5901 1 8 . 1 1 107 107 ALA N N 107 121.280 121.280 123.612 -2.332 19045 5902 1 8 . 1 1 107 107 ALA HA H 107 3.858 3.858 3.970 -0.112 19045 5903 1 8 . 1 1 107 107 ALA CA C 107 56.988 56.988 55.827 1.161 19045 5904 1 8 . 1 1 107 107 ALA CB C 107 18.278 18.278 18.743 -0.465 19045 5905 1 8 . 1 1 107 107 ALA H H 107 7.940 7.940 7.302 0.638 19045 5906 1 8 . 1 1 108 108 TYR N N 108 117.339 117.339 115.553 1.786 19045 5907 1 8 . 1 1 108 108 TYR HA H 108 3.048 3.048 3.903 -0.855 19045 5908 1 8 . 1 1 108 108 TYR CA C 108 60.578 60.578 59.891 0.687 19045 5909 1 8 . 1 1 108 108 TYR CB C 108 36.804 36.804 36.683 0.121 19045 5910 1 8 . 1 1 108 108 TYR H H 108 8.783 8.783 7.667 1.116 19045 5911 1 8 . 1 1 109 109 GLU N N 109 123.316 123.316 121.206 2.110 19045 5912 1 8 . 1 1 109 109 GLU HA H 109 3.681 3.681 3.710 -0.029 19045 5913 1 8 . 1 1 109 109 GLU CA C 109 59.152 59.152 58.984 0.168 19045 5914 1 8 . 1 1 109 109 GLU CB C 109 28.782 28.782 28.965 -0.183 19045 5915 1 8 . 1 1 109 109 GLU H H 109 8.084 8.084 7.184 0.900 19045 5916 1 8 . 1 1 110 110 TYR N N 110 117.254 117.254 117.477 -0.223 19045 5917 1 8 . 1 1 110 110 TYR HA H 110 4.339 4.339 4.308 0.031 19045 5918 1 8 . 1 1 110 110 TYR CA C 110 58.527 58.527 58.692 -0.165 19045 5919 1 8 . 1 1 110 110 TYR CB C 110 36.323 36.323 38.032 -1.709 19045 5920 1 8 . 1 1 110 110 TYR H H 110 8.282 8.282 7.693 0.589 19045 5921 1 8 . 1 1 111 111 PHE N N 111 119.028 119.028 120.920 -1.892 19045 5922 1 8 . 1 1 111 111 PHE HA H 111 3.889 3.889 4.180 -0.291 19045 5923 1 8 . 1 1 111 111 PHE CA C 111 62.350 62.350 60.858 1.492 19045 5924 1 8 . 1 1 111 111 PHE CB C 111 39.369 39.369 39.127 0.242 19045 5925 1 8 . 1 1 111 111 PHE H H 111 9.197 9.197 8.779 0.418 19045 5926 1 8 . 1 1 112 112 THR N N 112 113.669 113.669 112.245 1.424 19045 5927 1 8 . 1 1 112 112 THR HA H 112 3.411 3.411 3.377 0.034 19045 5928 1 8 . 1 1 112 112 THR CA C 112 67.185 67.185 66.577 0.608 19045 5929 1 8 . 1 1 112 112 THR CB C 112 68.294 68.294 68.228 0.066 19045 5930 1 8 . 1 1 112 112 THR H H 112 8.315 8.315 8.675 -0.360 19045 5931 1 8 . 1 1 113 113 LYS N N 113 124.090 124.090 122.721 1.369 19045 5932 1 8 . 1 1 113 113 LYS HA H 113 3.854 3.854 4.175 -0.321 19045 5933 1 8 . 1 1 113 113 LYS CA C 113 60.416 60.416 58.935 1.481 19045 5934 1 8 . 1 1 113 113 LYS CB C 113 33.219 33.219 32.201 1.018 19045 5935 1 8 . 1 1 113 113 LYS H H 113 8.335 8.335 7.503 0.832 19045 5936 1 8 . 1 1 114 114 ILE N N 114 120.457 120.457 119.753 0.704 19045 5937 1 8 . 1 1 114 114 ILE HA H 114 3.145 3.145 3.661 -0.516 19045 5938 1 8 . 1 1 114 114 ILE CA C 114 65.550 65.550 63.442 2.108 19045 5939 1 8 . 1 1 114 114 ILE CB C 114 37.402 37.402 36.282 1.120 19045 5940 1 8 . 1 1 114 114 ILE H H 114 8.042 8.042 7.833 0.209 19045 5941 1 8 . 1 1 115 115 ALA N N 115 121.066 121.066 122.771 -1.705 19045 5942 1 8 . 1 1 115 115 ALA HA H 115 3.219 3.219 3.984 -0.765 19045 5943 1 8 . 1 1 115 115 ALA CA C 115 54.940 54.940 55.316 -0.376 19045 5944 1 8 . 1 1 115 115 ALA CB C 115 16.345 16.345 17.468 -1.123 19045 5945 1 8 . 1 1 115 115 ALA H H 115 8.208 8.208 8.100 0.108 19045 5946 1 8 . 1 1 116 116 THR N N 116 112.803 112.803 116.003 -3.200 19045 5947 1 8 . 1 1 116 116 THR HA H 116 3.808 3.808 4.297 -0.489 19045 5948 1 8 . 1 1 116 116 THR CA C 116 67.557 67.557 67.147 0.410 19045 5949 1 8 . 1 1 116 116 THR CB C 116 68.431 68.431 68.577 -0.146 19045 5950 1 8 . 1 1 116 116 THR H H 116 7.893 7.893 8.072 -0.179 19045 5951 1 8 . 1 1 117 117 SER N N 117 115.935 115.935 115.697 0.238 19045 5952 1 8 . 1 1 117 117 SER HA H 117 4.070 4.070 4.280 -0.210 19045 5953 1 8 . 1 1 117 117 SER CA C 117 61.879 61.879 61.212 0.667 19045 5954 1 8 . 1 1 117 117 SER CB C 117 62.907 62.907 63.405 -0.498 19045 5955 1 8 . 1 1 117 117 SER H H 117 7.139 7.139 8.023 -0.884 19045 5956 1 8 . 1 1 118 118 LEU N N 118 123.462 123.462 122.535 0.927 19045 5957 1 8 . 1 1 118 118 LEU HA H 118 3.596 3.596 3.957 -0.361 19045 5958 1 8 . 1 1 118 118 LEU CA C 118 58.014 58.014 57.490 0.524 19045 5959 1 8 . 1 1 118 118 LEU CB C 118 41.687 41.687 42.254 -0.567 19045 5960 1 8 . 1 1 118 118 LEU H H 118 7.844 7.844 7.674 0.170 19045 5961 1 8 . 1 1 119 119 PHE N N 119 110.270 110.270 114.781 -4.511 19045 5962 1 8 . 1 1 119 119 PHE HA H 119 4.721 4.721 4.687 0.034 19045 5963 1 8 . 1 1 119 119 PHE CA C 119 58.698 58.698 58.517 0.180 19045 5964 1 8 . 1 1 119 119 PHE CB C 119 38.838 38.838 38.264 0.574 19045 5965 1 8 . 1 1 119 119 PHE H H 119 6.878 6.878 8.670 -1.792 19045 5966 1 8 . 1 1 120 120 GLU N N 120 123.135 123.135 119.202 3.933 19045 5967 1 8 . 1 1 120 120 GLU HA H 120 4.016 4.016 4.042 -0.026 19045 5968 1 8 . 1 1 120 120 GLU CA C 120 59.532 59.532 59.086 0.446 19045 5969 1 8 . 1 1 120 120 GLU CB C 120 29.337 29.337 29.262 0.075 19045 5970 1 8 . 1 1 120 120 GLU H H 120 7.551 7.551 8.266 -0.715 19045 5971 1 8 . 1 1 121 121 SER N N 121 107.983 107.983 114.197 -6.214 19045 5972 1 8 . 1 1 121 121 SER HA H 121 4.522 4.522 4.360 0.162 19045 5973 1 8 . 1 1 121 121 SER CA C 121 57.342 57.342 59.599 -2.257 19045 5974 1 8 . 1 1 121 121 SER CB C 121 63.353 63.353 63.978 -0.625 19045 5975 1 8 . 1 1 121 121 SER H H 121 7.712 7.712 8.193 -0.481 19045 5976 1 8 . 1 1 122 122 GLY N N 122 110.748 110.748 106.310 4.438 19045 5977 1 8 . 1 1 122 122 GLY CA C 122 44.419 44.419 44.738 -0.319 19045 5978 1 8 . 1 1 122 122 GLY H H 122 7.317 7.317 7.831 -0.514 19045 5979 1 8 . 1 1 123 123 ILE N N 123 117.061 117.061 119.014 -1.953 19045 5980 1 8 . 1 1 123 123 ILE HA H 123 3.724 3.724 4.215 -0.491 19045 5981 1 8 . 1 1 123 123 ILE CA C 123 61.383 61.383 60.417 0.966 19045 5982 1 8 . 1 1 123 123 ILE CB C 123 40.588 40.588 38.660 1.928 19045 5983 1 8 . 1 1 123 123 ILE H H 123 7.963 7.963 8.282 -0.319 19045 5984 1 8 . 1 1 124 124 ASN N N 124 117.915 117.915 122.763 -4.848 19045 5985 1 8 . 1 1 124 124 ASN HA H 124 4.204 4.204 4.875 -0.671 19045 5986 1 8 . 1 1 124 124 ASN CA C 124 51.886 51.886 52.408 -0.522 19045 5987 1 8 . 1 1 124 124 ASN CB C 124 39.033 39.033 41.201 -2.168 19045 5988 1 8 . 1 1 124 124 ASN H H 124 6.434 6.434 7.883 -1.449 19045 5989 1 8 . 1 1 125 125 TRP N N 125 119.673 119.673 123.390 -3.717 19045 5990 1 8 . 1 1 125 125 TRP HA H 125 4.470 4.470 4.529 -0.059 19045 5991 1 8 . 1 1 125 125 TRP CA C 125 61.257 61.257 61.141 0.116 19045 5992 1 8 . 1 1 125 125 TRP CB C 125 30.287 30.287 29.528 0.759 19045 5993 1 8 . 1 1 125 125 TRP H H 125 8.824 8.824 9.090 -0.266 19045 5994 1 8 . 1 1 126 126 GLY N N 126 107.516 107.516 105.931 1.585 19045 5995 1 8 . 1 1 126 126 GLY CA C 126 48.294 48.294 47.231 1.063 19045 5996 1 8 . 1 1 126 126 GLY H H 126 9.118 9.118 8.799 0.319 19045 5997 1 8 . 1 1 127 127 ARG N N 127 119.610 119.610 121.780 -2.170 19045 5998 1 8 . 1 1 127 127 ARG HA H 127 3.742 3.742 3.942 -0.200 19045 5999 1 8 . 1 1 127 127 ARG CA C 127 59.551 59.551 58.728 0.823 19045 6000 1 8 . 1 1 127 127 ARG CB C 127 31.163 31.163 29.657 1.506 19045 6001 1 8 . 1 1 127 127 ARG H H 127 8.616 8.616 7.367 1.249 19045 6002 1 8 . 1 1 128 128 VAL N N 128 120.289 120.289 119.972 0.317 19045 6003 1 8 . 1 1 128 128 VAL HA H 128 3.662 3.662 4.010 -0.348 19045 6004 1 8 . 1 1 128 128 VAL CA C 128 68.387 68.387 66.209 2.178 19045 6005 1 8 . 1 1 128 128 VAL CB C 128 31.127 31.127 31.376 -0.249 19045 6006 1 8 . 1 1 128 128 VAL H H 128 7.762 7.762 7.904 -0.142 19045 6007 1 8 . 1 1 129 129 VAL N N 129 119.577 119.577 116.917 2.660 19045 6008 1 8 . 1 1 129 129 VAL HA H 129 3.449 3.449 3.565 -0.116 19045 6009 1 8 . 1 1 129 129 VAL CA C 129 67.772 67.772 66.663 1.109 19045 6010 1 8 . 1 1 129 129 VAL CB C 129 30.918 30.918 30.983 -0.065 19045 6011 1 8 . 1 1 129 129 VAL H H 129 8.433 8.433 8.060 0.373 19045 6012 1 8 . 1 1 130 130 ALA N N 130 123.330 123.330 123.274 0.056 19045 6013 1 8 . 1 1 130 130 ALA HA H 130 4.069 4.069 4.166 -0.097 19045 6014 1 8 . 1 1 130 130 ALA CA C 130 54.978 54.978 55.130 -0.152 19045 6015 1 8 . 1 1 130 130 ALA CB C 130 17.446 17.446 18.451 -1.005 19045 6016 1 8 . 1 1 130 130 ALA H H 130 8.766 8.766 7.961 0.805 19045 6017 1 8 . 1 1 131 131 LEU N N 131 120.040 120.040 120.021 0.019 19045 6018 1 8 . 1 1 131 131 LEU HA H 131 3.961 3.961 4.490 -0.529 19045 6019 1 8 . 1 1 131 131 LEU CA C 131 58.353 58.353 58.193 0.160 19045 6020 1 8 . 1 1 131 131 LEU CB C 131 40.750 40.750 42.395 -1.645 19045 6021 1 8 . 1 1 131 131 LEU H H 131 8.178 8.178 7.943 0.235 19045 6022 1 8 . 1 1 132 132 LEU N N 132 119.150 119.150 117.384 1.766 19045 6023 1 8 . 1 1 132 132 LEU HA H 132 3.952 3.952 4.321 -0.369 19045 6024 1 8 . 1 1 132 132 LEU CA C 132 58.620 58.620 57.856 0.764 19045 6025 1 8 . 1 1 132 132 LEU CB C 132 38.835 38.835 41.192 -2.357 19045 6026 1 8 . 1 1 132 132 LEU H H 132 7.927 7.927 7.677 0.250 19045 6027 1 8 . 1 1 133 133 GLY N N 133 107.066 107.066 108.273 -1.207 19045 6028 1 8 . 1 1 133 133 GLY CA C 133 48.339 48.339 47.783 0.556 19045 6029 1 8 . 1 1 133 133 GLY H H 133 8.752 8.752 8.437 0.315 19045 6030 1 8 . 1 1 134 134 PHE N N 134 123.521 123.521 120.888 2.633 19045 6031 1 8 . 1 1 134 134 PHE HA H 134 4.601 4.601 4.930 -0.329 19045 6032 1 8 . 1 1 134 134 PHE CA C 134 59.884 59.884 57.621 2.263 19045 6033 1 8 . 1 1 134 134 PHE CB C 134 38.622 38.622 38.862 -0.240 19045 6034 1 8 . 1 1 134 134 PHE H H 134 8.606 8.606 8.471 0.135 19045 6035 1 8 . 1 1 135 135 GLY N N 135 106.412 106.412 109.769 -3.357 19045 6036 1 8 . 1 1 135 135 GLY CA C 135 47.731 47.731 47.202 0.529 19045 6037 1 8 . 1 1 135 135 GLY H H 135 8.715 8.715 7.993 0.722 19045 6038 1 8 . 1 1 136 136 TYR N N 136 121.461 121.461 123.023 -1.562 19045 6039 1 8 . 1 1 136 136 TYR HA H 136 4.116 4.116 4.346 -0.230 19045 6040 1 8 . 1 1 136 136 TYR CA C 136 61.564 61.564 61.988 -0.424 19045 6041 1 8 . 1 1 136 136 TYR CB C 136 38.469 38.469 38.907 -0.438 19045 6042 1 8 . 1 1 136 136 TYR H H 136 8.809 8.809 8.273 0.536 19045 6043 1 8 . 1 1 137 137 ARG N N 137 117.518 117.518 119.271 -1.753 19045 6044 1 8 . 1 1 137 137 ARG HA H 137 3.647 3.647 4.214 -0.567 19045 6045 1 8 . 1 1 137 137 ARG CA C 137 58.904 58.904 59.354 -0.450 19045 6046 1 8 . 1 1 137 137 ARG CB C 137 29.189 29.189 29.874 -0.685 19045 6047 1 8 . 1 1 137 137 ARG H H 137 8.646 8.646 7.922 0.724 19045 6048 1 8 . 1 1 138 138 LEU N N 138 121.658 121.658 120.229 1.429 19045 6049 1 8 . 1 1 138 138 LEU HA H 138 3.905 3.905 4.154 -0.249 19045 6050 1 8 . 1 1 138 138 LEU CA C 138 58.454 58.454 57.914 0.540 19045 6051 1 8 . 1 1 138 138 LEU CB C 138 41.801 41.801 41.879 -0.078 19045 6052 1 8 . 1 1 138 138 LEU H H 138 9.065 9.065 8.525 0.540 19045 6053 1 8 . 1 1 139 139 ALA N N 139 120.012 120.012 120.522 -0.510 19045 6054 1 8 . 1 1 139 139 ALA HA H 139 4.004 4.004 4.187 -0.183 19045 6055 1 8 . 1 1 139 139 ALA CA C 139 55.174 55.174 54.927 0.247 19045 6056 1 8 . 1 1 139 139 ALA CB C 139 17.943 17.943 18.646 -0.703 19045 6057 1 8 . 1 1 139 139 ALA H H 139 8.237 8.237 8.080 0.157 19045 6058 1 8 . 1 1 140 140 LEU N N 140 119.522 119.522 120.321 -0.799 19045 6059 1 8 . 1 1 140 140 LEU HA H 140 4.000 4.000 4.115 -0.115 19045 6060 1 8 . 1 1 140 140 LEU CA C 140 57.805 57.805 57.701 0.104 19045 6061 1 8 . 1 1 140 140 LEU CB C 140 42.324 42.324 42.013 0.311 19045 6062 1 8 . 1 1 140 140 LEU H H 140 8.191 8.191 8.034 0.157 19045 6063 1 8 . 1 1 141 141 HIS N N 141 117.834 117.834 116.927 0.907 19045 6064 1 8 . 1 1 141 141 HIS HA H 141 4.183 4.183 4.358 -0.175 19045 6065 1 8 . 1 1 141 141 HIS CA C 141 60.960 60.960 60.001 0.959 19045 6066 1 8 . 1 1 141 141 HIS CB C 141 31.708 31.708 30.343 1.365 19045 6067 1 8 . 1 1 141 141 HIS H H 141 8.253 8.253 8.389 -0.136 19045 6068 1 8 . 1 1 142 142 VAL N N 142 113.700 113.700 112.763 0.937 19045 6069 1 8 . 1 1 142 142 VAL HA H 142 3.887 3.887 4.221 -0.334 19045 6070 1 8 . 1 1 142 142 VAL CA C 142 65.948 65.948 63.233 2.715 19045 6071 1 8 . 1 1 142 142 VAL CB C 142 30.264 30.264 32.360 -2.096 19045 6072 1 8 . 1 1 142 142 VAL H H 142 8.455 8.455 7.252 1.203 19045 6073 1 8 . 1 1 143 143 TYR N N 143 123.307 123.307 121.109 2.198 19045 6074 1 8 . 1 1 143 143 TYR HA H 143 4.320 4.320 4.175 0.145 19045 6075 1 8 . 1 1 143 143 TYR CA C 143 61.934 61.934 61.382 0.552 19045 6076 1 8 . 1 1 143 143 TYR CB C 143 38.779 38.779 39.190 -0.411 19045 6077 1 8 . 1 1 143 143 TYR H H 143 7.750 7.750 7.996 -0.246 19045 6078 1 8 . 1 1 144 144 GLN N N 144 118.560 118.560 117.406 1.154 19045 6079 1 8 . 1 1 144 144 GLN HA H 144 3.686 3.686 4.003 -0.317 19045 6080 1 8 . 1 1 144 144 GLN CA C 144 58.055 58.055 58.293 -0.238 19045 6081 1 8 . 1 1 144 144 GLN CB C 144 27.859 27.859 28.256 -0.397 19045 6082 1 8 . 1 1 144 144 GLN H H 144 8.486 8.486 8.185 0.301 19045 6083 1 8 . 1 1 145 145 HIS N N 145 114.312 114.312 116.511 -2.199 19045 6084 1 8 . 1 1 145 145 HIS HA H 145 4.330 4.330 4.333 -0.003 19045 6085 1 8 . 1 1 145 145 HIS CA C 145 56.178 56.178 57.487 -1.309 19045 6086 1 8 . 1 1 145 145 HIS CB C 145 27.751 27.751 30.224 -2.473 19045 6087 1 8 . 1 1 145 145 HIS H H 145 7.350 7.350 7.391 -0.041 19045 6088 1 8 . 1 1 146 146 GLY N N 146 106.537 106.537 105.821 0.716 19045 6089 1 8 . 1 1 146 146 GLY CA C 146 45.715 45.715 44.784 0.931 19045 6090 1 8 . 1 1 146 146 GLY H H 146 7.471 7.471 7.476 -0.005 19045 6091 1 8 . 1 1 147 147 LEU N N 147 123.302 123.302 121.606 1.696 19045 6092 1 8 . 1 1 147 147 LEU HA H 147 4.496 4.496 4.610 -0.114 19045 6093 1 8 . 1 1 147 147 LEU CA C 147 54.259 54.259 54.677 -0.418 19045 6094 1 8 . 1 1 147 147 LEU CB C 147 41.033 41.033 43.255 -2.222 19045 6095 1 8 . 1 1 147 147 LEU H H 147 7.933 7.933 7.403 0.530 19045 6096 1 8 . 1 1 148 148 THR HA H 148 4.523 4.523 4.025 0.498 19045 6097 1 8 . 1 1 148 148 THR CA C 148 61.027 61.027 63.166 -2.139 19045 6098 1 8 . 1 1 148 148 THR CB C 148 70.359 70.359 67.531 2.828 19045 6099 1 8 . 1 1 149 149 GLY CA C 149 47.016 47.016 45.290 1.726 19045 6100 1 8 . 1 1 149 149 GLY H H 149 8.458 8.458 8.449 0.009 19045 6101 1 8 . 1 1 150 150 PHE N N 150 123.408 123.408 120.405 3.003 19045 6102 1 8 . 1 1 150 150 PHE HA H 150 4.555 4.555 4.966 -0.411 19045 6103 1 8 . 1 1 150 150 PHE CA C 150 57.964 57.964 56.898 1.066 19045 6104 1 8 . 1 1 150 150 PHE CB C 150 42.911 42.911 40.116 2.795 19045 6105 1 8 . 1 1 150 150 PHE H H 150 9.331 9.331 8.267 1.064 19045 6106 1 8 . 1 1 151 151 LEU N N 151 123.032 123.032 120.731 2.301 19045 6107 1 8 . 1 1 151 151 LEU HA H 151 3.859 3.859 3.976 -0.117 19045 6108 1 8 . 1 1 151 151 LEU CA C 151 58.454 58.454 58.368 0.086 19045 6109 1 8 . 1 1 151 151 LEU CB C 151 40.948 40.948 39.834 1.114 19045 6110 1 8 . 1 1 151 151 LEU H H 151 8.470 8.470 8.043 0.427 19045 6111 1 8 . 1 1 152 152 GLY N N 152 108.386 108.386 105.596 2.790 19045 6112 1 8 . 1 1 152 152 GLY CA C 152 46.676 46.676 47.282 -0.606 19045 6113 1 8 . 1 1 152 152 GLY H H 152 8.577 8.577 8.507 0.070 19045 6114 1 8 . 1 1 153 153 GLN N N 153 122.055 122.055 120.972 1.083 19045 6115 1 8 . 1 1 153 153 GLN HA H 153 3.532 3.532 3.403 0.129 19045 6116 1 8 . 1 1 153 153 GLN CA C 153 57.844 57.844 57.626 0.218 19045 6117 1 8 . 1 1 153 153 GLN CB C 153 26.442 26.442 27.074 -0.632 19045 6118 1 8 . 1 1 153 153 GLN H H 153 7.106 7.106 7.887 -0.781 19045 6119 1 8 . 1 1 154 154 VAL N N 154 116.706 116.706 119.559 -2.853 19045 6120 1 8 . 1 1 154 154 VAL HA H 154 2.428 2.428 3.486 -1.058 19045 6121 1 8 . 1 1 154 154 VAL CA C 154 66.089 66.089 66.424 -0.335 19045 6122 1 8 . 1 1 154 154 VAL CB C 154 31.463 31.463 30.950 0.513 19045 6123 1 8 . 1 1 154 154 VAL H H 154 7.033 7.033 7.874 -0.841 19045 6124 1 8 . 1 1 155 155 THR N N 155 114.165 114.165 115.386 -1.221 19045 6125 1 8 . 1 1 155 155 THR HA H 155 3.317 3.317 3.658 -0.341 19045 6126 1 8 . 1 1 155 155 THR CA C 155 67.050 67.050 66.559 0.491 19045 6127 1 8 . 1 1 155 155 THR CB C 155 68.307 68.307 68.439 -0.132 19045 6128 1 8 . 1 1 155 155 THR H H 155 7.860 7.860 8.122 -0.262 19045 6129 1 8 . 1 1 156 156 ARG N N 156 119.890 119.890 122.381 -2.491 19045 6130 1 8 . 1 1 156 156 ARG HA H 156 3.769 3.769 3.999 -0.230 19045 6131 1 8 . 1 1 156 156 ARG CA C 156 58.769 58.769 58.391 0.378 19045 6132 1 8 . 1 1 156 156 ARG CB C 156 28.693 28.693 28.967 -0.274 19045 6133 1 8 . 1 1 156 156 ARG H H 156 7.019 7.019 7.791 -0.772 19045 6134 1 8 . 1 1 157 157 PHE N N 157 118.242 118.242 118.941 -0.699 19045 6135 1 8 . 1 1 157 157 PHE HA H 157 4.426 4.426 4.314 0.112 19045 6136 1 8 . 1 1 157 157 PHE CA C 157 56.928 56.928 60.973 -4.045 19045 6137 1 8 . 1 1 157 157 PHE CB C 157 35.794 35.794 37.852 -2.058 19045 6138 1 8 . 1 1 157 157 PHE H H 157 8.030 8.030 8.109 -0.079 19045 6139 1 8 . 1 1 158 158 VAL N N 158 118.961 118.961 118.879 0.082 19045 6140 1 8 . 1 1 158 158 VAL HA H 158 3.425 3.425 3.961 -0.536 19045 6141 1 8 . 1 1 158 158 VAL CA C 158 67.288 67.288 66.233 1.055 19045 6142 1 8 . 1 1 158 158 VAL CB C 158 31.554 31.554 30.658 0.896 19045 6143 1 8 . 1 1 158 158 VAL H H 158 7.607 7.607 8.073 -0.466 19045 6144 1 8 . 1 1 159 159 VAL N N 159 119.773 119.773 121.460 -1.687 19045 6145 1 8 . 1 1 159 159 VAL HA H 159 3.358 3.358 3.592 -0.234 19045 6146 1 8 . 1 1 159 159 VAL CA C 159 67.570 67.570 67.379 0.191 19045 6147 1 8 . 1 1 159 159 VAL CB C 159 32.355 32.355 30.858 1.497 19045 6148 1 8 . 1 1 159 159 VAL H H 159 8.039 8.039 7.954 0.085 19045 6149 1 8 . 1 1 160 160 ASP N N 160 118.382 118.382 119.881 -1.499 19045 6150 1 8 . 1 1 160 160 ASP HA H 160 4.293 4.293 4.440 -0.147 19045 6151 1 8 . 1 1 160 160 ASP CA C 160 57.567 57.567 57.456 0.111 19045 6152 1 8 . 1 1 160 160 ASP CB C 160 41.474 41.474 40.975 0.499 19045 6153 1 8 . 1 1 160 160 ASP H H 160 8.752 8.752 8.468 0.284 19045 6154 1 8 . 1 1 161 161 PHE N N 161 119.972 119.972 119.803 0.169 19045 6155 1 8 . 1 1 161 161 PHE HA H 161 4.175 4.175 4.219 -0.044 19045 6156 1 8 . 1 1 161 161 PHE CA C 161 62.688 62.688 61.378 1.310 19045 6157 1 8 . 1 1 161 161 PHE CB C 161 39.789 39.789 39.292 0.497 19045 6158 1 8 . 1 1 161 161 PHE H H 161 8.558 8.558 8.023 0.535 19045 6159 1 8 . 1 1 162 162 MET N N 162 116.261 116.261 120.076 -3.815 19045 6160 1 8 . 1 1 162 162 MET HA H 162 3.702 3.702 4.051 -0.349 19045 6161 1 8 . 1 1 162 162 MET CA C 162 59.342 59.342 59.701 -0.359 19045 6162 1 8 . 1 1 162 162 MET CB C 162 32.081 32.081 32.894 -0.812 19045 6163 1 8 . 1 1 162 162 MET H H 162 8.597 8.597 8.818 -0.221 19045 6164 1 8 . 1 1 163 163 LEU N N 163 119.069 119.069 113.993 5.076 19045 6165 1 8 . 1 1 163 163 LEU HA H 163 3.952 3.952 4.088 -0.136 19045 6166 1 8 . 1 1 163 163 LEU CA C 163 57.856 57.856 55.673 2.183 19045 6167 1 8 . 1 1 163 163 LEU CB C 163 42.236 42.236 41.841 0.395 19045 6168 1 8 . 1 1 163 163 LEU H H 163 8.291 8.291 7.760 0.531 19045 6169 1 8 . 1 1 164 164 HIS N N 164 113.591 113.591 115.537 -1.946 19045 6170 1 8 . 1 1 164 164 HIS HA H 164 4.430 4.430 4.704 -0.274 19045 6171 1 8 . 1 1 164 164 HIS CA C 164 57.289 57.289 55.797 1.492 19045 6172 1 8 . 1 1 164 164 HIS CB C 164 28.766 28.766 30.263 -1.497 19045 6173 1 8 . 1 1 164 164 HIS H H 164 8.111 8.111 7.638 0.473 19045 6174 1 8 . 1 1 165 165 HIS N N 165 115.730 115.730 117.939 -2.209 19045 6175 1 8 . 1 1 165 165 HIS HA H 165 4.602 4.602 4.498 0.104 19045 6176 1 8 . 1 1 165 165 HIS CA C 165 54.752 54.752 55.758 -1.006 19045 6177 1 8 . 1 1 165 165 HIS CB C 165 26.766 26.766 30.604 -3.838 19045 6178 1 8 . 1 1 165 165 HIS H H 165 7.789 7.789 7.578 0.211 19045 6179 1 8 . 1 1 166 166 CYS N N 166 109.533 109.533 116.319 -6.786 19045 6180 1 8 . 1 1 166 166 CYS HA H 166 4.274 4.274 4.085 0.189 19045 6181 1 8 . 1 1 166 166 CYS CA C 166 61.452 61.452 60.316 1.136 19045 6182 1 8 . 1 1 166 166 CYS CB C 166 25.215 25.215 26.147 -0.932 19045 6183 1 8 . 1 1 166 166 CYS H H 166 7.761 7.761 8.449 -0.688 19045 6184 1 8 . 1 1 167 167 ILE N N 167 119.980 119.980 120.241 -0.261 19045 6185 1 8 . 1 1 167 167 ILE HA H 167 3.563 3.563 3.790 -0.227 19045 6186 1 8 . 1 1 167 167 ILE CA C 167 62.212 62.212 63.176 -0.964 19045 6187 1 8 . 1 1 167 167 ILE CB C 167 35.969 35.969 36.490 -0.521 19045 6188 1 8 . 1 1 167 167 ILE H H 167 7.574 7.574 7.879 -0.305 19045 6189 1 8 . 1 1 168 168 ALA N N 168 121.737 121.737 122.577 -0.840 19045 6190 1 8 . 1 1 168 168 ALA HA H 168 3.775 3.775 3.920 -0.145 19045 6191 1 8 . 1 1 168 168 ALA CA C 168 55.082 55.082 55.851 -0.769 19045 6192 1 8 . 1 1 168 168 ALA CB C 168 16.505 16.505 18.239 -1.734 19045 6193 1 8 . 1 1 168 168 ALA H H 168 7.935 7.935 7.762 0.173 19045 6194 1 8 . 1 1 169 169 ARG N N 169 118.369 118.369 118.590 -0.221 19045 6195 1 8 . 1 1 169 169 ARG HA H 169 3.550 3.550 3.992 -0.442 19045 6196 1 8 . 1 1 169 169 ARG CA C 169 59.581 59.581 58.757 0.824 19045 6197 1 8 . 1 1 169 169 ARG CB C 169 29.380 29.380 29.497 -0.117 19045 6198 1 8 . 1 1 169 169 ARG H H 169 7.936 7.936 8.474 -0.538 19045 6199 1 8 . 1 1 170 170 TRP N N 170 121.173 121.173 121.733 -0.560 19045 6200 1 8 . 1 1 170 170 TRP HA H 170 3.763 3.763 4.223 -0.460 19045 6201 1 8 . 1 1 170 170 TRP CA C 170 62.080 62.080 60.914 1.166 19045 6202 1 8 . 1 1 170 170 TRP CB C 170 29.423 29.423 29.137 0.285 19045 6203 1 8 . 1 1 170 170 TRP H H 170 7.259 7.259 7.348 -0.089 19045 6204 1 8 . 1 1 171 171 ILE N N 171 117.994 117.994 118.697 -0.703 19045 6205 1 8 . 1 1 171 171 ILE HA H 171 2.864 2.864 2.973 -0.109 19045 6206 1 8 . 1 1 171 171 ILE CA C 171 65.347 65.347 64.802 0.545 19045 6207 1 8 . 1 1 171 171 ILE CB C 171 37.781 37.781 37.527 0.254 19045 6208 1 8 . 1 1 171 171 ILE H H 171 8.074 8.074 8.191 -0.117 19045 6209 1 8 . 1 1 172 172 ALA N N 172 123.588 123.588 120.981 2.607 19045 6210 1 8 . 1 1 172 172 ALA HA H 172 3.506 3.506 3.889 -0.383 19045 6211 1 8 . 1 1 172 172 ALA CA C 172 55.685 55.685 54.812 0.873 19045 6212 1 8 . 1 1 172 172 ALA CB C 172 17.050 17.050 18.276 -1.226 19045 6213 1 8 . 1 1 172 172 ALA H H 172 8.511 8.511 7.942 0.569 19045 6214 1 8 . 1 1 173 173 GLN N N 173 117.382 117.382 116.622 0.760 19045 6215 1 8 . 1 1 173 173 GLN HA H 173 3.854 3.854 3.958 -0.104 19045 6216 1 8 . 1 1 173 173 GLN CA C 173 57.904 57.904 57.806 0.098 19045 6217 1 8 . 1 1 173 173 GLN CB C 173 28.141 28.141 28.621 -0.480 19045 6218 1 8 . 1 1 173 173 GLN H H 173 7.898 7.898 7.574 0.324 19045 6219 1 8 . 1 1 174 174 ARG N N 174 116.800 116.800 116.063 0.737 19045 6220 1 8 . 1 1 174 174 ARG HA H 174 4.097 4.097 4.060 0.037 19045 6221 1 8 . 1 1 174 174 ARG CA C 174 55.395 55.395 55.807 -0.412 19045 6222 1 8 . 1 1 174 174 ARG CB C 174 29.652 29.652 30.146 -0.494 19045 6223 1 8 . 1 1 174 174 ARG H H 174 6.984 6.984 7.439 -0.455 19045 6224 1 8 . 1 1 175 175 GLY N N 175 104.194 104.194 105.485 -1.291 19045 6225 1 8 . 1 1 175 175 GLY CA C 175 44.340 44.340 44.569 -0.229 19045 6226 1 8 . 1 1 175 175 GLY H H 175 7.418 7.418 7.078 0.340 19045 6227 1 8 . 1 1 176 176 GLY N N 176 107.629 107.629 107.677 -0.048 19045 6228 1 8 . 1 1 176 176 GLY CA C 176 43.501 43.501 44.952 -1.451 19045 6229 1 8 . 1 1 176 176 GLY H H 176 8.072 8.072 7.585 0.487 19045 6230 1 8 . 1 1 177 177 TRP N N 177 117.887 117.887 121.489 -3.602 19045 6231 1 8 . 1 1 177 177 TRP HA H 177 4.476 4.476 4.786 -0.310 19045 6232 1 8 . 1 1 177 177 TRP CA C 177 61.083 61.083 59.540 1.543 19045 6233 1 8 . 1 1 177 177 TRP CB C 177 30.927 30.927 29.500 1.427 19045 6234 1 8 . 1 1 177 177 TRP H H 177 8.218 8.218 8.840 -0.622 19045 6235 1 8 . 1 1 178 178 VAL N N 178 112.929 112.929 116.658 -3.729 19045 6236 1 8 . 1 1 178 178 VAL HA H 178 3.688 3.688 3.951 -0.263 19045 6237 1 8 . 1 1 178 178 VAL CA C 178 64.680 64.680 64.247 0.433 19045 6238 1 8 . 1 1 178 178 VAL CB C 178 31.057 31.057 31.146 -0.089 19045 6239 1 8 . 1 1 178 178 VAL H H 178 8.284 8.284 7.851 0.433 19045 6240 1 8 . 1 1 179 179 ALA N N 179 125.101 125.101 120.566 4.535 19045 6241 1 8 . 1 1 179 179 ALA HA H 179 4.009 4.009 4.515 -0.506 19045 6242 1 8 . 1 1 179 179 ALA CA C 179 54.344 54.344 52.268 2.076 19045 6243 1 8 . 1 1 179 179 ALA CB C 179 18.555 18.555 19.261 -0.706 19045 6244 1 8 . 1 1 179 179 ALA H H 179 7.670 7.670 7.655 0.015 19045 6245 1 8 . 1 1 180 180 ALA N N 180 119.081 119.081 122.840 -3.759 19045 6246 1 8 . 1 1 180 180 ALA HA H 180 3.293 3.293 3.747 -0.454 19045 6247 1 8 . 1 1 180 180 ALA CA C 180 52.783 52.783 54.286 -1.504 19045 6248 1 8 . 1 1 180 180 ALA CB C 180 18.113 18.113 19.110 -0.997 19045 6249 1 8 . 1 1 180 180 ALA H H 180 8.058 8.058 7.487 0.571 19045 6250 1 8 . 1 1 181 181 LEU N N 181 114.169 114.169 114.160 0.009 19045 6251 1 8 . 1 1 181 181 LEU HA H 181 3.911 3.911 4.271 -0.360 19045 6252 1 8 . 1 1 181 181 LEU CA C 181 56.128 56.128 55.806 0.322 19045 6253 1 8 . 1 1 181 181 LEU CB C 181 40.955 40.955 40.107 0.848 19045 6254 1 8 . 1 1 181 181 LEU H H 181 7.342 7.342 8.302 -0.960 19045 6255 1 8 . 1 1 182 182 ASN N N 182 115.061 115.061 116.268 -1.207 19045 6256 1 8 . 1 1 182 182 ASN HA H 182 4.743 4.743 4.731 0.012 19045 6257 1 8 . 1 1 182 182 ASN CA C 182 52.508 52.508 52.814 -0.306 19045 6258 1 8 . 1 1 182 182 ASN CB C 182 39.091 39.091 39.996 -0.905 19045 6259 1 8 . 1 1 182 182 ASN H H 182 7.289 7.289 7.414 -0.125 19045 6260 1 8 . 1 1 183 183 LEU N N 183 119.889 119.889 120.412 -0.523 19045 6261 1 8 . 1 1 183 183 LEU HA H 183 4.125 4.125 4.384 -0.259 19045 6262 1 8 . 1 1 183 183 LEU CA C 183 55.201 55.201 55.011 0.190 19045 6263 1 8 . 1 1 183 183 LEU CB C 183 42.174 42.174 42.089 0.085 19045 6264 1 8 . 1 1 183 183 LEU H H 183 7.148 7.148 7.335 -0.187 19045 6265 1 8 . 1 1 184 184 GLY N N 184 107.883 107.883 108.449 -0.566 19045 6266 1 8 . 1 1 184 184 GLY CA C 184 45.256 45.256 46.664 -1.408 19045 6267 1 8 . 1 1 184 184 GLY H H 184 8.486 8.486 8.539 -0.053 19045 6268 1 8 . 1 1 185 185 ASN N N 185 118.093 118.093 123.155 -5.062 19045 6269 1 8 . 1 1 185 185 ASN HA H 185 4.755 4.755 4.668 0.087 19045 6270 1 8 . 1 1 185 185 ASN CA C 185 52.812 52.812 52.786 0.026 19045 6271 1 8 . 1 1 185 185 ASN CB C 185 39.297 39.297 38.741 0.556 19045 6272 1 8 . 1 1 185 185 ASN H H 185 8.074 8.074 8.862 -0.788 19045 6273 1 9 . 1 1 19 19 LEU N N 19 122.834 122.834 122.562 0.272 19045 6274 1 9 . 1 1 19 19 LEU HA H 19 4.523 4.523 4.884 -0.361 19045 6275 1 9 . 1 1 19 19 LEU CA C 19 52.690 52.690 53.881 -1.191 19045 6276 1 9 . 1 1 19 19 LEU CB C 19 41.808 41.808 42.153 -0.345 19045 6277 1 9 . 1 1 19 19 LEU H H 19 8.080 8.080 8.606 -0.526 19045 6278 1 9 . 1 1 20 20 PRO HA H 20 4.353 4.353 4.645 -0.292 19045 6279 1 9 . 1 1 20 20 PRO CA C 20 62.826 62.826 62.490 0.336 19045 6280 1 9 . 1 1 20 20 PRO CB C 20 31.969 31.969 32.716 -0.747 19045 6281 1 9 . 1 1 21 21 SER N N 21 116.268 116.268 113.537 2.731 19045 6282 1 9 . 1 1 21 21 SER HA H 21 4.249 4.249 4.612 -0.363 19045 6283 1 9 . 1 1 21 21 SER CA C 21 58.338 58.338 57.774 0.564 19045 6284 1 9 . 1 1 21 21 SER CB C 21 63.856 63.856 64.832 -0.976 19045 6285 1 9 . 1 1 21 21 SER H H 21 8.246 8.246 8.328 -0.082 19045 6286 1 9 . 1 1 22 22 ALA N N 22 125.246 125.246 126.606 -1.360 19045 6287 1 9 . 1 1 22 22 ALA HA H 22 4.405 4.405 4.601 -0.196 19045 6288 1 9 . 1 1 22 22 ALA CA C 22 52.086 52.086 51.677 0.409 19045 6289 1 9 . 1 1 22 22 ALA CB C 22 19.582 19.582 20.898 -1.316 19045 6290 1 9 . 1 1 22 22 ALA H H 22 8.192 8.192 8.463 -0.271 19045 6291 1 9 . 1 1 23 23 SER N N 23 114.236 114.236 114.550 -0.314 19045 6292 1 9 . 1 1 23 23 SER HA H 23 4.469 4.469 4.847 -0.378 19045 6293 1 9 . 1 1 23 23 SER CA C 23 57.386 57.386 57.319 0.067 19045 6294 1 9 . 1 1 23 23 SER CB C 23 64.582 64.582 65.784 -1.202 19045 6295 1 9 . 1 1 23 23 SER H H 23 8.081 8.081 8.311 -0.230 19045 6296 1 9 . 1 1 24 24 GLU N N 24 124.005 124.005 123.475 0.530 19045 6297 1 9 . 1 1 24 24 GLU HA H 24 3.534 3.534 3.884 -0.350 19045 6298 1 9 . 1 1 24 24 GLU CA C 24 59.772 59.772 60.330 -0.558 19045 6299 1 9 . 1 1 24 24 GLU CB C 24 29.798 29.798 29.479 0.319 19045 6300 1 9 . 1 1 24 24 GLU H H 24 8.702 8.702 9.091 -0.389 19045 6301 1 9 . 1 1 25 25 GLU N N 25 118.390 118.390 116.914 1.476 19045 6302 1 9 . 1 1 25 25 GLU HA H 25 3.796 3.796 3.981 -0.185 19045 6303 1 9 . 1 1 25 25 GLU CA C 25 59.939 59.939 59.648 0.291 19045 6304 1 9 . 1 1 25 25 GLU CB C 25 29.217 29.217 29.037 0.180 19045 6305 1 9 . 1 1 25 25 GLU H H 25 8.559 8.559 8.855 -0.296 19045 6306 1 9 . 1 1 26 26 GLN N N 26 120.776 120.776 119.018 1.758 19045 6307 1 9 . 1 1 26 26 GLN HA H 26 3.916 3.916 4.203 -0.287 19045 6308 1 9 . 1 1 26 26 GLN CA C 26 58.343 58.343 58.330 0.013 19045 6309 1 9 . 1 1 26 26 GLN CB C 26 28.119 28.119 27.898 0.221 19045 6310 1 9 . 1 1 26 26 GLN H H 26 7.764 7.764 7.747 0.017 19045 6311 1 9 . 1 1 27 27 VAL N N 27 118.723 118.723 121.921 -3.198 19045 6312 1 9 . 1 1 27 27 VAL HA H 27 3.933 3.933 3.725 0.208 19045 6313 1 9 . 1 1 27 27 VAL CA C 27 66.285 66.285 66.691 -0.406 19045 6314 1 9 . 1 1 27 27 VAL CB C 27 31.596 31.596 31.436 0.160 19045 6315 1 9 . 1 1 27 27 VAL H H 27 8.062 8.062 8.313 -0.251 19045 6316 1 9 . 1 1 28 28 ALA N N 28 122.902 122.902 121.872 1.030 19045 6317 1 9 . 1 1 28 28 ALA HA H 28 4.026 4.026 3.904 0.122 19045 6318 1 9 . 1 1 28 28 ALA CA C 28 56.178 56.178 55.379 0.799 19045 6319 1 9 . 1 1 28 28 ALA CB C 28 18.463 18.463 18.136 0.327 19045 6320 1 9 . 1 1 28 28 ALA H H 28 8.412 8.412 8.145 0.267 19045 6321 1 9 . 1 1 29 29 GLN N N 29 117.996 117.996 118.210 -0.214 19045 6322 1 9 . 1 1 29 29 GLN HA H 29 4.084 4.084 4.038 0.046 19045 6323 1 9 . 1 1 29 29 GLN CA C 29 59.063 59.063 59.187 -0.124 19045 6324 1 9 . 1 1 29 29 GLN CB C 29 28.452 28.452 28.606 -0.154 19045 6325 1 9 . 1 1 29 29 GLN H H 29 7.900 7.900 7.800 0.100 19045 6326 1 9 . 1 1 30 30 ASP N N 30 121.907 121.907 118.905 3.002 19045 6327 1 9 . 1 1 30 30 ASP HA H 30 4.521 4.521 4.343 0.178 19045 6328 1 9 . 1 1 30 30 ASP CA C 30 57.038 57.038 57.165 -0.127 19045 6329 1 9 . 1 1 30 30 ASP CB C 30 41.939 41.939 40.233 1.706 19045 6330 1 9 . 1 1 30 30 ASP H H 30 8.888 8.888 8.213 0.675 19045 6331 1 9 . 1 1 31 31 THR N N 31 114.861 114.861 116.496 -1.635 19045 6332 1 9 . 1 1 31 31 THR HA H 31 3.493 3.493 3.485 0.008 19045 6333 1 9 . 1 1 31 31 THR CA C 31 66.946 66.946 66.434 0.512 19045 6334 1 9 . 1 1 31 31 THR CB C 31 68.523 68.523 68.607 -0.084 19045 6335 1 9 . 1 1 31 31 THR H H 31 8.069 8.069 8.271 -0.202 19045 6336 1 9 . 1 1 32 32 GLU N N 32 120.848 120.848 121.086 -0.238 19045 6337 1 9 . 1 1 32 32 GLU HA H 32 3.597 3.597 3.946 -0.349 19045 6338 1 9 . 1 1 32 32 GLU CA C 32 60.899 60.899 59.548 1.351 19045 6339 1 9 . 1 1 32 32 GLU CB C 32 28.963 28.963 28.766 0.197 19045 6340 1 9 . 1 1 32 32 GLU H H 32 7.578 7.578 8.057 -0.479 19045 6341 1 9 . 1 1 33 33 GLU N N 33 117.741 117.741 120.664 -2.923 19045 6342 1 9 . 1 1 33 33 GLU HA H 33 3.938 3.938 3.977 -0.039 19045 6343 1 9 . 1 1 33 33 GLU CA C 33 58.768 58.768 59.268 -0.500 19045 6344 1 9 . 1 1 33 33 GLU CB C 33 29.708 29.708 29.693 0.015 19045 6345 1 9 . 1 1 33 33 GLU H H 33 7.446 7.446 7.823 -0.377 19045 6346 1 9 . 1 1 34 34 VAL N N 34 120.239 120.239 119.577 0.662 19045 6347 1 9 . 1 1 34 34 VAL HA H 34 3.108 3.108 3.646 -0.538 19045 6348 1 9 . 1 1 34 34 VAL CA C 34 66.979 66.979 65.803 1.176 19045 6349 1 9 . 1 1 34 34 VAL CB C 34 31.884 31.884 30.712 1.172 19045 6350 1 9 . 1 1 34 34 VAL H H 34 7.792 7.792 8.104 -0.312 19045 6351 1 9 . 1 1 35 35 PHE N N 35 117.559 117.559 121.417 -3.858 19045 6352 1 9 . 1 1 35 35 PHE HA H 35 4.209 4.209 4.042 0.167 19045 6353 1 9 . 1 1 35 35 PHE CA C 35 61.592 61.592 62.001 -0.409 19045 6354 1 9 . 1 1 35 35 PHE CB C 35 39.066 39.066 38.791 0.275 19045 6355 1 9 . 1 1 35 35 PHE H H 35 8.895 8.895 8.392 0.503 19045 6356 1 9 . 1 1 36 36 ARG N N 36 116.705 116.705 118.822 -2.117 19045 6357 1 9 . 1 1 36 36 ARG HA H 36 3.555 3.555 3.652 -0.097 19045 6358 1 9 . 1 1 36 36 ARG CA C 36 59.906 59.906 60.030 -0.124 19045 6359 1 9 . 1 1 36 36 ARG CB C 36 29.654 29.654 30.131 -0.477 19045 6360 1 9 . 1 1 36 36 ARG H H 36 8.182 8.182 8.150 0.032 19045 6361 1 9 . 1 1 37 37 SER N N 37 112.628 112.628 115.421 -2.793 19045 6362 1 9 . 1 1 37 37 SER HA H 37 4.122 4.122 4.256 -0.134 19045 6363 1 9 . 1 1 37 37 SER CA C 37 61.258 61.258 61.658 -0.400 19045 6364 1 9 . 1 1 37 37 SER CB C 37 63.089 63.089 62.930 0.159 19045 6365 1 9 . 1 1 37 37 SER H H 37 7.845 7.845 8.084 -0.239 19045 6366 1 9 . 1 1 38 38 TYR N N 38 122.458 122.458 124.047 -1.589 19045 6367 1 9 . 1 1 38 38 TYR HA H 38 3.927 3.927 4.050 -0.123 19045 6368 1 9 . 1 1 38 38 TYR CA C 38 62.006 62.006 61.932 0.074 19045 6369 1 9 . 1 1 38 38 TYR CB C 38 38.892 38.892 38.622 0.270 19045 6370 1 9 . 1 1 38 38 TYR H H 38 8.793 8.793 7.935 0.858 19045 6371 1 9 . 1 1 39 39 VAL N N 39 115.951 115.951 116.522 -0.571 19045 6372 1 9 . 1 1 39 39 VAL HA H 39 3.209 3.209 3.254 -0.045 19045 6373 1 9 . 1 1 39 39 VAL CA C 39 65.982 65.982 65.660 0.322 19045 6374 1 9 . 1 1 39 39 VAL CB C 39 30.884 30.884 31.031 -0.147 19045 6375 1 9 . 1 1 39 39 VAL H H 39 8.348 8.348 7.993 0.355 19045 6376 1 9 . 1 1 40 40 PHE N N 40 119.608 119.608 121.348 -1.740 19045 6377 1 9 . 1 1 40 40 PHE HA H 40 3.915 3.915 4.067 -0.152 19045 6378 1 9 . 1 1 40 40 PHE CA C 40 61.651 61.651 60.995 0.656 19045 6379 1 9 . 1 1 40 40 PHE CB C 40 39.411 39.411 39.327 0.084 19045 6380 1 9 . 1 1 40 40 PHE H H 40 7.596 7.596 7.952 -0.356 19045 6381 1 9 . 1 1 41 41 TYR N N 41 117.686 117.686 120.170 -2.484 19045 6382 1 9 . 1 1 41 41 TYR HA H 41 3.818 3.818 3.906 -0.088 19045 6383 1 9 . 1 1 41 41 TYR CA C 41 63.446 63.446 60.421 3.025 19045 6384 1 9 . 1 1 41 41 TYR CB C 41 37.528 37.528 38.171 -0.643 19045 6385 1 9 . 1 1 41 41 TYR H H 41 8.578 8.578 8.051 0.527 19045 6386 1 9 . 1 1 42 42 ARG N N 42 121.382 121.382 118.735 2.647 19045 6387 1 9 . 1 1 42 42 ARG HA H 42 3.581 3.581 3.904 -0.323 19045 6388 1 9 . 1 1 42 42 ARG CA C 42 57.999 57.999 58.977 -0.978 19045 6389 1 9 . 1 1 42 42 ARG CB C 42 26.992 26.992 29.640 -2.648 19045 6390 1 9 . 1 1 42 42 ARG H H 42 8.784 8.784 7.925 0.859 19045 6391 1 9 . 1 1 43 43 HIS N N 43 118.684 118.684 119.202 -0.518 19045 6392 1 9 . 1 1 43 43 HIS HA H 43 4.291 4.291 4.321 -0.030 19045 6393 1 9 . 1 1 43 43 HIS CA C 43 60.041 60.041 58.807 1.234 19045 6394 1 9 . 1 1 43 43 HIS CB C 43 27.938 27.938 29.432 -1.494 19045 6395 1 9 . 1 1 43 43 HIS H H 43 8.268 8.268 7.987 0.281 19045 6396 1 9 . 1 1 44 44 GLN N N 44 117.841 117.841 118.841 -1.000 19045 6397 1 9 . 1 1 44 44 GLN HA H 44 3.638 3.638 3.721 -0.083 19045 6398 1 9 . 1 1 44 44 GLN CA C 44 58.681 58.681 59.239 -0.558 19045 6399 1 9 . 1 1 44 44 GLN CB C 44 28.977 28.977 28.244 0.733 19045 6400 1 9 . 1 1 44 44 GLN H H 44 7.722 7.722 7.837 -0.115 19045 6401 1 9 . 1 1 45 45 GLN N N 45 117.756 117.756 116.509 1.247 19045 6402 1 9 . 1 1 45 45 GLN HA H 45 3.932 3.932 4.002 -0.070 19045 6403 1 9 . 1 1 45 45 GLN CA C 45 57.923 57.923 58.365 -0.442 19045 6404 1 9 . 1 1 45 45 GLN CB C 45 28.039 28.039 28.446 -0.407 19045 6405 1 9 . 1 1 45 45 GLN H H 45 7.808 7.808 7.467 0.341 19045 6406 1 9 . 1 1 46 46 GLU N N 46 119.876 119.876 119.378 0.498 19045 6407 1 9 . 1 1 46 46 GLU HA H 46 3.951 3.951 4.014 -0.063 19045 6408 1 9 . 1 1 46 46 GLU CA C 46 58.956 58.956 59.071 -0.115 19045 6409 1 9 . 1 1 46 46 GLU CB C 46 29.166 29.166 29.075 0.091 19045 6410 1 9 . 1 1 46 46 GLU H H 46 7.781 7.781 7.363 0.418 19045 6411 1 9 . 1 1 47 47 GLN N N 47 118.282 118.282 119.025 -0.743 19045 6412 1 9 . 1 1 47 47 GLN HA H 47 3.800 3.800 4.214 -0.414 19045 6413 1 9 . 1 1 47 47 GLN CA C 47 57.892 57.892 58.369 -0.477 19045 6414 1 9 . 1 1 47 47 GLN CB C 47 28.662 28.662 28.435 0.227 19045 6415 1 9 . 1 1 47 47 GLN H H 47 7.775 7.775 7.875 -0.100 19045 6416 1 9 . 1 1 48 48 GLU N N 48 118.519 118.519 118.121 0.398 19045 6417 1 9 . 1 1 48 48 GLU HA H 48 4.009 4.009 4.107 -0.098 19045 6418 1 9 . 1 1 48 48 GLU CA C 48 57.586 57.586 57.603 -0.017 19045 6419 1 9 . 1 1 48 48 GLU CB C 48 28.922 28.922 29.243 -0.321 19045 6420 1 9 . 1 1 48 48 GLU H H 48 7.721 7.721 8.278 -0.557 19045 6421 1 9 . 1 1 49 49 ALA N N 49 121.657 121.657 122.049 -0.392 19045 6422 1 9 . 1 1 49 49 ALA HA H 49 4.140 4.140 4.254 -0.114 19045 6423 1 9 . 1 1 49 49 ALA CA C 49 53.389 53.389 53.179 0.210 19045 6424 1 9 . 1 1 49 49 ALA CB C 49 19.111 19.111 19.832 -0.721 19045 6425 1 9 . 1 1 49 49 ALA H H 49 7.675 7.675 7.406 0.269 19045 6426 1 9 . 1 1 50 50 GLU N N 50 116.803 116.803 115.200 1.603 19045 6427 1 9 . 1 1 50 50 GLU HA H 50 4.182 4.182 4.594 -0.412 19045 6428 1 9 . 1 1 50 50 GLU CA C 50 56.420 56.420 54.294 2.126 19045 6429 1 9 . 1 1 50 50 GLU CB C 50 29.798 29.798 31.861 -2.063 19045 6430 1 9 . 1 1 50 50 GLU H H 50 8.106 8.106 8.569 -0.463 19045 6431 1 9 . 1 1 51 51 GLY N N 51 109.812 109.812 107.335 2.477 19045 6432 1 9 . 1 1 51 51 GLY CA C 51 45.739 45.739 45.128 0.611 19045 6433 1 9 . 1 1 51 51 GLY H H 51 8.060 8.060 8.528 -0.468 19045 6434 1 9 . 1 1 52 52 VAL N N 52 118.668 118.668 115.668 3.000 19045 6435 1 9 . 1 1 52 52 VAL HA H 52 4.001 4.001 4.342 -0.341 19045 6436 1 9 . 1 1 52 52 VAL CA C 52 62.175 62.175 60.596 1.579 19045 6437 1 9 . 1 1 52 52 VAL CB C 52 32.294 32.294 33.351 -1.057 19045 6438 1 9 . 1 1 52 52 VAL H H 52 7.718 7.718 7.338 0.380 19045 6439 1 9 . 1 1 53 53 ALA N N 53 125.624 125.624 125.235 0.389 19045 6440 1 9 . 1 1 53 53 ALA HA H 53 4.220 4.220 4.249 -0.029 19045 6441 1 9 . 1 1 53 53 ALA CA C 53 51.869 51.869 52.448 -0.579 19045 6442 1 9 . 1 1 53 53 ALA CB C 53 19.065 19.065 17.766 1.299 19045 6443 1 9 . 1 1 53 53 ALA H H 53 8.073 8.073 8.608 -0.535 19045 6444 1 9 . 1 1 54 54 ALA N N 54 123.638 123.638 122.469 1.169 19045 6445 1 9 . 1 1 54 54 ALA HA H 54 4.472 4.472 4.641 -0.169 19045 6446 1 9 . 1 1 54 54 ALA CA C 54 49.869 49.869 50.227 -0.359 19045 6447 1 9 . 1 1 54 54 ALA CB C 54 18.488 18.488 19.271 -0.783 19045 6448 1 9 . 1 1 54 54 ALA H H 54 7.718 7.718 8.073 -0.355 19045 6449 1 9 . 1 1 55 55 PRO HA H 55 4.292 4.292 4.682 -0.390 19045 6450 1 9 . 1 1 55 55 PRO CA C 55 62.966 62.966 63.150 -0.184 19045 6451 1 9 . 1 1 55 55 PRO CB C 55 31.754 31.754 32.426 -0.672 19045 6452 1 9 . 1 1 56 56 ALA N N 56 124.218 124.218 122.936 1.282 19045 6453 1 9 . 1 1 56 56 ALA HA H 56 4.220 4.220 4.511 -0.291 19045 6454 1 9 . 1 1 56 56 ALA CB C 56 19.119 19.119 20.652 -1.534 19045 6455 1 9 . 1 1 56 56 ALA H H 56 8.259 8.259 8.167 0.092 19045 6456 1 9 . 1 1 57 57 ASP N N 57 120.884 120.884 118.539 2.345 19045 6457 1 9 . 1 1 57 57 ASP HA H 57 4.572 4.572 4.600 -0.028 19045 6458 1 9 . 1 1 57 57 ASP CA C 57 52.742 52.742 54.222 -1.480 19045 6459 1 9 . 1 1 57 57 ASP CB C 57 41.642 41.642 40.320 1.322 19045 6460 1 9 . 1 1 57 57 ASP H H 57 7.829 7.829 8.390 -0.561 19045 6461 1 9 . 1 1 58 58 PRO HA H 58 4.052 4.052 4.449 -0.397 19045 6462 1 9 . 1 1 58 58 PRO CA C 58 64.128 64.128 63.505 0.623 19045 6463 1 9 . 1 1 58 58 PRO CB C 58 31.989 31.989 31.465 0.523 19045 6464 1 9 . 1 1 59 59 GLU HA H 59 4.549 4.549 4.464 0.085 19045 6465 1 9 . 1 1 59 59 GLU CA C 59 54.266 54.266 56.036 -1.770 19045 6466 1 9 . 1 1 59 59 GLU CB C 59 29.285 29.285 33.280 -3.995 19045 6467 1 9 . 1 1 60 60 MET HA H 60 3.846 3.846 4.329 -0.483 19045 6468 1 9 . 1 1 60 60 MET CA C 60 57.219 57.219 57.452 -0.233 19045 6469 1 9 . 1 1 60 60 MET CB C 60 31.894 31.894 32.829 -0.935 19045 6470 1 9 . 1 1 60 60 MET H H 60 7.070 7.070 8.832 -1.762 19045 6471 1 9 . 1 1 61 61 VAL N N 61 113.014 113.014 116.948 -3.934 19045 6472 1 9 . 1 1 61 61 VAL HA H 61 4.051 4.051 3.977 0.074 19045 6473 1 9 . 1 1 61 61 VAL CA C 61 62.799 62.799 64.033 -1.234 19045 6474 1 9 . 1 1 61 61 VAL CB C 61 31.993 31.993 31.594 0.399 19045 6475 1 9 . 1 1 61 61 VAL H H 61 6.833 6.833 7.730 -0.897 19045 6476 1 9 . 1 1 62 62 THR N N 62 110.188 110.188 114.372 -4.184 19045 6477 1 9 . 1 1 62 62 THR HA H 62 4.230 4.230 4.081 0.149 19045 6478 1 9 . 1 1 62 62 THR CA C 62 60.947 60.947 64.515 -3.568 19045 6479 1 9 . 1 1 62 62 THR CB C 62 69.192 69.192 68.918 0.274 19045 6480 1 9 . 1 1 62 62 THR H H 62 7.101 7.101 7.655 -0.554 19045 6481 1 9 . 1 1 63 63 LEU N N 63 125.158 125.158 122.034 3.124 19045 6482 1 9 . 1 1 63 63 LEU HA H 63 4.205 4.205 4.814 -0.609 19045 6483 1 9 . 1 1 63 63 LEU CA C 63 52.688 52.688 51.593 1.095 19045 6484 1 9 . 1 1 63 63 LEU CB C 63 42.252 42.252 44.037 -1.785 19045 6485 1 9 . 1 1 63 63 LEU H H 63 7.079 7.079 7.646 -0.567 19045 6486 1 9 . 1 1 64 64 PRO HA H 64 4.282 4.282 4.464 -0.182 19045 6487 1 9 . 1 1 64 64 PRO CA C 64 62.613 62.613 62.569 0.044 19045 6488 1 9 . 1 1 64 64 PRO CB C 64 30.705 30.705 30.185 0.520 19045 6489 1 9 . 1 1 65 65 LEU N N 65 122.384 122.384 123.714 -1.330 19045 6490 1 9 . 1 1 65 65 LEU HA H 65 4.234 4.234 4.386 -0.152 19045 6491 1 9 . 1 1 65 65 LEU CA C 65 54.499 54.499 54.782 -0.283 19045 6492 1 9 . 1 1 65 65 LEU CB C 65 43.438 43.438 43.498 -0.060 19045 6493 1 9 . 1 1 65 65 LEU H H 65 7.653 7.653 7.643 0.010 19045 6494 1 9 . 1 1 66 66 GLN N N 66 121.802 121.802 121.329 0.473 19045 6495 1 9 . 1 1 66 66 GLN HA H 66 4.209 4.209 4.714 -0.505 19045 6496 1 9 . 1 1 66 66 GLN CA C 66 52.783 52.783 52.834 -0.051 19045 6497 1 9 . 1 1 66 66 GLN CB C 66 28.136 28.136 28.724 -0.588 19045 6498 1 9 . 1 1 66 66 GLN H H 66 8.634 8.634 8.597 0.037 19045 6499 1 9 . 1 1 67 67 PRO HA H 67 4.139 4.139 4.440 -0.301 19045 6500 1 9 . 1 1 67 67 PRO CA C 67 64.488 64.488 63.910 0.577 19045 6501 1 9 . 1 1 67 67 PRO CB C 67 32.003 32.003 31.758 0.245 19045 6502 1 9 . 1 1 68 68 SER N N 68 111.024 111.024 113.823 -2.799 19045 6503 1 9 . 1 1 68 68 SER HA H 68 4.313 4.313 4.640 -0.327 19045 6504 1 9 . 1 1 68 68 SER CA C 68 57.991 57.991 58.120 -0.129 19045 6505 1 9 . 1 1 68 68 SER CB C 68 63.252 63.252 63.379 -0.127 19045 6506 1 9 . 1 1 68 68 SER H H 68 8.119 8.119 8.308 -0.189 19045 6507 1 9 . 1 1 69 69 SER N N 69 117.598 117.598 115.685 1.913 19045 6508 1 9 . 1 1 69 69 SER HA H 69 4.440 4.440 4.754 -0.314 19045 6509 1 9 . 1 1 69 69 SER CA C 69 57.518 57.518 57.447 0.071 19045 6510 1 9 . 1 1 69 69 SER CB C 69 64.587 64.587 65.449 -0.862 19045 6511 1 9 . 1 1 69 69 SER H H 69 7.723 7.723 7.563 0.160 19045 6512 1 9 . 1 1 70 70 THR N N 70 121.887 121.887 119.681 2.206 19045 6513 1 9 . 1 1 70 70 THR HA H 70 3.873 3.873 4.107 -0.234 19045 6514 1 9 . 1 1 70 70 THR CA C 70 66.723 66.723 65.118 1.605 19045 6515 1 9 . 1 1 70 70 THR CB C 70 68.385 68.385 68.704 -0.319 19045 6516 1 9 . 1 1 70 70 THR H H 70 8.827 8.827 8.692 0.135 19045 6517 1 9 . 1 1 71 71 MET N N 71 117.344 117.344 120.085 -2.741 19045 6518 1 9 . 1 1 71 71 MET HA H 71 4.469 4.469 4.104 0.365 19045 6519 1 9 . 1 1 71 71 MET CA C 71 56.260 56.260 59.699 -3.438 19045 6520 1 9 . 1 1 71 71 MET CB C 71 31.696 31.696 31.899 -0.203 19045 6521 1 9 . 1 1 71 71 MET H H 71 8.454 8.454 7.965 0.489 19045 6522 1 9 . 1 1 72 72 GLY N N 72 108.884 108.884 103.645 5.239 19045 6523 1 9 . 1 1 72 72 GLY CA C 72 46.884 46.884 46.711 0.173 19045 6524 1 9 . 1 1 72 72 GLY H H 72 7.979 7.979 7.868 0.111 19045 6525 1 9 . 1 1 73 73 GLN N N 73 121.522 121.522 120.126 1.396 19045 6526 1 9 . 1 1 73 73 GLN HA H 73 3.857 3.857 4.238 -0.381 19045 6527 1 9 . 1 1 73 73 GLN CA C 73 58.220 58.220 57.623 0.597 19045 6528 1 9 . 1 1 73 73 GLN CB C 73 28.309 28.309 28.357 -0.048 19045 6529 1 9 . 1 1 73 73 GLN H H 73 7.859 7.859 7.696 0.163 19045 6530 1 9 . 1 1 74 74 VAL N N 74 121.291 121.291 120.778 0.513 19045 6531 1 9 . 1 1 74 74 VAL HA H 74 3.359 3.359 3.781 -0.422 19045 6532 1 9 . 1 1 74 74 VAL CA C 74 67.150 67.150 65.369 1.781 19045 6533 1 9 . 1 1 74 74 VAL CB C 74 31.249 31.249 31.539 -0.290 19045 6534 1 9 . 1 1 74 74 VAL H H 74 8.155 8.155 7.675 0.480 19045 6535 1 9 . 1 1 75 75 GLY N N 75 105.037 105.037 106.417 -1.380 19045 6536 1 9 . 1 1 75 75 GLY CA C 75 48.385 48.385 47.325 1.060 19045 6537 1 9 . 1 1 75 75 GLY H H 75 8.154 8.154 7.771 0.383 19045 6538 1 9 . 1 1 76 76 ARG N N 76 119.292 119.292 120.926 -1.634 19045 6539 1 9 . 1 1 76 76 ARG HA H 76 3.320 3.320 4.175 -0.855 19045 6540 1 9 . 1 1 76 76 ARG CA C 76 59.540 59.540 59.745 -0.205 19045 6541 1 9 . 1 1 76 76 ARG CB C 76 30.130 30.130 30.221 -0.091 19045 6542 1 9 . 1 1 76 76 ARG H H 76 7.512 7.512 7.415 0.097 19045 6543 1 9 . 1 1 77 77 GLN N N 77 118.008 118.008 119.069 -1.061 19045 6544 1 9 . 1 1 77 77 GLN HA H 77 3.951 3.951 4.163 -0.212 19045 6545 1 9 . 1 1 77 77 GLN CA C 77 58.337 58.337 58.447 -0.110 19045 6546 1 9 . 1 1 77 77 GLN CB C 77 27.512 27.512 28.020 -0.508 19045 6547 1 9 . 1 1 77 77 GLN H H 77 7.852 7.852 7.646 0.206 19045 6548 1 9 . 1 1 78 78 LEU N N 78 116.018 116.018 119.628 -3.610 19045 6549 1 9 . 1 1 78 78 LEU HA H 78 4.078 4.078 4.032 0.046 19045 6550 1 9 . 1 1 78 78 LEU CA C 78 57.391 57.391 57.858 -0.467 19045 6551 1 9 . 1 1 78 78 LEU CB C 78 40.999 40.999 41.574 -0.575 19045 6552 1 9 . 1 1 78 78 LEU H H 78 8.412 8.412 8.479 -0.067 19045 6553 1 9 . 1 1 79 79 ALA N N 79 120.914 120.914 119.981 0.933 19045 6554 1 9 . 1 1 79 79 ALA HA H 79 3.896 3.896 4.114 -0.218 19045 6555 1 9 . 1 1 79 79 ALA CA C 79 54.789 54.789 54.649 0.140 19045 6556 1 9 . 1 1 79 79 ALA CB C 79 17.880 17.880 18.234 -0.354 19045 6557 1 9 . 1 1 79 79 ALA H H 79 7.789 7.789 7.943 -0.154 19045 6558 1 9 . 1 1 80 80 ILE N N 80 117.984 117.984 118.131 -0.147 19045 6559 1 9 . 1 1 80 80 ILE HA H 80 3.895 3.895 4.042 -0.147 19045 6560 1 9 . 1 1 80 80 ILE CA C 80 63.576 63.576 64.493 -0.917 19045 6561 1 9 . 1 1 80 80 ILE CB C 80 38.607 38.607 38.922 -0.315 19045 6562 1 9 . 1 1 80 80 ILE H H 80 7.690 7.690 7.493 0.197 19045 6563 1 9 . 1 1 81 81 ILE HA H 81 3.984 3.984 3.988 -0.004 19045 6564 1 9 . 1 1 81 81 ILE CA C 81 63.608 63.608 63.935 -0.327 19045 6565 1 9 . 1 1 81 81 ILE CB C 81 37.587 37.587 37.315 0.272 19045 6566 1 9 . 1 1 81 81 ILE H H 81 7.910 7.910 8.225 -0.315 19045 6567 1 9 . 1 1 82 82 GLY CA C 82 45.566 45.566 44.791 0.775 19045 6568 1 9 . 1 1 82 82 GLY H H 82 7.765 7.765 8.153 -0.388 19045 6569 1 9 . 1 1 83 83 ASP N N 83 119.914 119.914 123.249 -3.335 19045 6570 1 9 . 1 1 83 83 ASP HA H 83 4.332 4.332 4.421 -0.089 19045 6571 1 9 . 1 1 83 83 ASP CA C 83 58.161 58.161 58.358 -0.197 19045 6572 1 9 . 1 1 83 83 ASP CB C 83 41.771 41.771 41.020 0.751 19045 6573 1 9 . 1 1 83 83 ASP H H 83 7.400 7.400 7.717 -0.317 19045 6574 1 9 . 1 1 84 84 ASP N N 84 116.566 116.566 119.345 -2.779 19045 6575 1 9 . 1 1 84 84 ASP HA H 84 4.200 4.200 4.454 -0.254 19045 6576 1 9 . 1 1 84 84 ASP CA C 84 57.270 57.270 57.329 -0.059 19045 6577 1 9 . 1 1 84 84 ASP CB C 84 40.593 40.593 40.577 0.016 19045 6578 1 9 . 1 1 84 84 ASP H H 84 8.523 8.523 8.174 0.349 19045 6579 1 9 . 1 1 85 85 ILE N N 85 120.454 120.454 118.916 1.538 19045 6580 1 9 . 1 1 85 85 ILE HA H 85 3.753 3.753 3.831 -0.078 19045 6581 1 9 . 1 1 85 85 ILE CA C 85 63.782 63.782 64.967 -1.185 19045 6582 1 9 . 1 1 85 85 ILE CB C 85 37.546 37.546 37.269 0.277 19045 6583 1 9 . 1 1 85 85 ILE H H 85 7.707 7.707 8.245 -0.538 19045 6584 1 9 . 1 1 86 86 ASN N N 86 118.583 118.583 118.453 0.130 19045 6585 1 9 . 1 1 86 86 ASN HA H 86 4.472 4.472 4.528 -0.056 19045 6586 1 9 . 1 1 86 86 ASN CA C 86 56.087 56.087 55.950 0.137 19045 6587 1 9 . 1 1 86 86 ASN CB C 86 37.614 37.614 38.381 -0.767 19045 6588 1 9 . 1 1 86 86 ASN H H 86 8.440 8.440 8.136 0.304 19045 6589 1 9 . 1 1 87 87 ARG N N 87 117.819 117.819 118.511 -0.692 19045 6590 1 9 . 1 1 87 87 ARG HA H 87 4.043 4.043 4.073 -0.030 19045 6591 1 9 . 1 1 87 87 ARG CA C 87 59.035 59.035 58.620 0.415 19045 6592 1 9 . 1 1 87 87 ARG CB C 87 29.845 29.845 29.714 0.131 19045 6593 1 9 . 1 1 87 87 ARG H H 87 8.214 8.214 8.197 0.017 19045 6594 1 9 . 1 1 88 88 ARG N N 88 117.971 117.971 118.560 -0.589 19045 6595 1 9 . 1 1 88 88 ARG HA H 88 3.965 3.965 4.093 -0.128 19045 6596 1 9 . 1 1 88 88 ARG CA C 88 58.161 58.161 59.319 -1.158 19045 6597 1 9 . 1 1 88 88 ARG CB C 88 30.376 30.376 30.727 -0.351 19045 6598 1 9 . 1 1 88 88 ARG H H 88 7.438 7.438 8.039 -0.601 19045 6599 1 9 . 1 1 89 89 TYR N N 89 114.591 114.591 117.099 -2.508 19045 6600 1 9 . 1 1 89 89 TYR HA H 89 4.753 4.753 4.489 0.264 19045 6601 1 9 . 1 1 89 89 TYR CA C 89 59.481 59.481 58.919 0.562 19045 6602 1 9 . 1 1 89 89 TYR CB C 89 39.610 39.610 37.437 2.173 19045 6603 1 9 . 1 1 89 89 TYR H H 89 7.635 7.635 8.476 -0.841 19045 6604 1 9 . 1 1 90 90 ASP HA H 90 4.820 4.820 4.802 0.018 19045 6605 1 9 . 1 1 90 90 ASP CA C 90 58.200 58.200 55.990 2.210 19045 6606 1 9 . 1 1 90 90 ASP CB C 90 41.407 41.407 40.415 0.992 19045 6607 1 9 . 1 1 90 90 ASP H H 90 8.282 8.282 8.201 0.081 19045 6608 1 9 . 1 1 91 91 SER N N 91 115.266 115.266 115.313 -0.047 19045 6609 1 9 . 1 1 91 91 SER HA H 91 4.170 4.170 4.350 -0.180 19045 6610 1 9 . 1 1 91 91 SER CA C 91 61.780 61.780 62.068 -0.288 19045 6611 1 9 . 1 1 91 91 SER CB C 91 61.891 61.891 63.843 -1.952 19045 6612 1 9 . 1 1 91 91 SER H H 91 8.717 8.717 7.624 1.093 19045 6613 1 9 . 1 1 92 92 GLU N N 92 122.093 122.093 122.181 -0.088 19045 6614 1 9 . 1 1 92 92 GLU HA H 92 4.056 4.056 4.166 -0.110 19045 6615 1 9 . 1 1 92 92 GLU CA C 92 58.928 58.928 59.101 -0.173 19045 6616 1 9 . 1 1 92 92 GLU CB C 92 29.796 29.796 29.567 0.229 19045 6617 1 9 . 1 1 92 92 GLU H H 92 8.025 8.025 8.416 -0.391 19045 6618 1 9 . 1 1 93 93 PHE HA H 93 4.171 4.171 4.170 0.001 19045 6619 1 9 . 1 1 93 93 PHE CA C 93 60.704 60.704 61.468 -0.764 19045 6620 1 9 . 1 1 93 93 PHE CB C 93 38.780 38.780 39.227 -0.447 19045 6621 1 9 . 1 1 93 93 PHE H H 93 7.801 7.801 7.965 -0.164 19045 6622 1 9 . 1 1 94 94 GLN N N 94 118.578 118.578 117.299 1.279 19045 6623 1 9 . 1 1 94 94 GLN HA H 94 3.847 3.847 3.881 -0.034 19045 6624 1 9 . 1 1 94 94 GLN CA C 94 59.981 59.981 59.237 0.744 19045 6625 1 9 . 1 1 94 94 GLN CB C 94 28.415 28.415 28.712 -0.297 19045 6626 1 9 . 1 1 94 94 GLN H H 94 8.609 8.609 8.143 0.466 19045 6627 1 9 . 1 1 95 95 THR N N 95 116.128 116.128 117.407 -1.279 19045 6628 1 9 . 1 1 95 95 THR HA H 95 3.811 3.811 3.960 -0.149 19045 6629 1 9 . 1 1 95 95 THR CA C 95 66.391 66.391 66.762 -0.371 19045 6630 1 9 . 1 1 95 95 THR CB C 95 68.361 68.361 68.709 -0.348 19045 6631 1 9 . 1 1 95 95 THR H H 95 7.826 7.826 7.640 0.186 19045 6632 1 9 . 1 1 96 96 MET N N 96 120.474 120.474 118.015 2.459 19045 6633 1 9 . 1 1 96 96 MET HA H 96 3.933 3.933 3.573 0.360 19045 6634 1 9 . 1 1 96 96 MET CA C 96 59.949 59.949 57.926 2.023 19045 6635 1 9 . 1 1 96 96 MET CB C 96 33.087 33.087 31.964 1.123 19045 6636 1 9 . 1 1 96 96 MET H H 96 7.728 7.728 8.049 -0.321 19045 6637 1 9 . 1 1 97 97 LEU N N 97 118.904 118.904 121.621 -2.717 19045 6638 1 9 . 1 1 97 97 LEU HA H 97 3.604 3.604 3.660 -0.056 19045 6639 1 9 . 1 1 97 97 LEU CA C 97 57.771 57.771 57.762 0.009 19045 6640 1 9 . 1 1 97 97 LEU CB C 97 40.836 40.836 41.097 -0.262 19045 6641 1 9 . 1 1 97 97 LEU H H 97 8.112 8.112 7.582 0.530 19045 6642 1 9 . 1 1 98 98 GLN N N 98 116.798 116.798 117.735 -0.937 19045 6643 1 9 . 1 1 98 98 GLN HA H 98 4.003 4.003 4.096 -0.093 19045 6644 1 9 . 1 1 98 98 GLN CA C 98 58.337 58.337 58.485 -0.148 19045 6645 1 9 . 1 1 98 98 GLN CB C 98 27.659 27.659 28.829 -1.170 19045 6646 1 9 . 1 1 98 98 GLN H H 98 7.754 7.754 8.179 -0.425 19045 6647 1 9 . 1 1 99 99 HIS N N 99 115.943 115.943 116.376 -0.433 19045 6648 1 9 . 1 1 99 99 HIS HA H 99 4.442 4.442 4.343 0.099 19045 6649 1 9 . 1 1 99 99 HIS CA C 99 57.025 57.025 57.076 -0.051 19045 6650 1 9 . 1 1 99 99 HIS CB C 99 28.848 28.848 30.360 -1.512 19045 6651 1 9 . 1 1 99 99 HIS H H 99 7.504 7.504 7.773 -0.269 19045 6652 1 9 . 1 1 100 100 LEU N N 100 121.347 121.347 119.512 1.835 19045 6653 1 9 . 1 1 100 100 LEU HA H 100 3.803 3.803 4.148 -0.345 19045 6654 1 9 . 1 1 100 100 LEU CA C 100 56.801 56.801 55.934 0.867 19045 6655 1 9 . 1 1 100 100 LEU CB C 100 42.563 42.563 42.977 -0.414 19045 6656 1 9 . 1 1 100 100 LEU H H 100 8.013 8.013 7.796 0.217 19045 6657 1 9 . 1 1 101 101 GLN N N 101 110.029 110.029 115.161 -5.132 19045 6658 1 9 . 1 1 101 101 GLN HA H 101 4.003 4.003 4.102 -0.099 19045 6659 1 9 . 1 1 101 101 GLN CA C 101 55.685 55.685 55.476 0.209 19045 6660 1 9 . 1 1 101 101 GLN CB C 101 27.301 27.301 26.571 0.730 19045 6661 1 9 . 1 1 101 101 GLN H H 101 7.763 7.763 7.862 -0.099 19045 6662 1 9 . 1 1 102 102 PRO HA H 102 4.926 4.926 4.218 0.708 19045 6663 1 9 . 1 1 102 102 PRO CA C 102 62.372 62.372 62.682 -0.310 19045 6664 1 9 . 1 1 102 102 PRO CB C 102 31.963 31.963 32.471 -0.508 19045 6665 1 9 . 1 1 103 103 THR N N 103 114.119 114.119 106.016 8.103 19045 6666 1 9 . 1 1 103 103 THR HA H 103 4.420 4.420 4.510 -0.090 19045 6667 1 9 . 1 1 103 103 THR CA C 103 58.716 58.716 59.975 -1.259 19045 6668 1 9 . 1 1 103 103 THR CB C 103 72.929 72.929 71.482 1.447 19045 6669 1 9 . 1 1 103 103 THR H H 103 9.386 9.386 7.801 1.585 19045 6670 1 9 . 1 1 104 104 ALA N N 104 120.374 120.374 121.300 -0.926 19045 6671 1 9 . 1 1 104 104 ALA HA H 104 3.737 3.737 4.677 -0.940 19045 6672 1 9 . 1 1 104 104 ALA CA C 104 54.782 54.782 54.370 0.412 19045 6673 1 9 . 1 1 104 104 ALA CB C 104 18.050 18.050 18.616 -0.566 19045 6674 1 9 . 1 1 104 104 ALA H H 104 8.723 8.723 8.465 0.258 19045 6675 1 9 . 1 1 105 105 GLU N N 105 113.834 113.834 115.746 -1.912 19045 6676 1 9 . 1 1 105 105 GLU HA H 105 4.122 4.122 4.316 -0.194 19045 6677 1 9 . 1 1 105 105 GLU CA C 105 58.707 58.707 58.760 -0.053 19045 6678 1 9 . 1 1 105 105 GLU CB C 105 29.445 29.445 29.346 0.099 19045 6679 1 9 . 1 1 105 105 GLU H H 105 7.969 7.969 8.561 -0.592 19045 6680 1 9 . 1 1 106 106 ASN N N 106 114.135 114.135 117.730 -3.595 19045 6681 1 9 . 1 1 106 106 ASN HA H 106 4.781 4.781 4.388 0.393 19045 6682 1 9 . 1 1 106 106 ASN CA C 106 52.222 52.222 52.336 -0.114 19045 6683 1 9 . 1 1 106 106 ASN CB C 106 38.983 38.983 38.983 -0.000 19045 6684 1 9 . 1 1 106 106 ASN H H 106 7.151 7.151 7.957 -0.806 19045 6685 1 9 . 1 1 107 107 ALA N N 107 121.280 121.280 124.046 -2.766 19045 6686 1 9 . 1 1 107 107 ALA HA H 107 3.858 3.858 4.191 -0.333 19045 6687 1 9 . 1 1 107 107 ALA CA C 107 56.988 56.988 55.533 1.454 19045 6688 1 9 . 1 1 107 107 ALA CB C 107 18.278 18.278 18.917 -0.639 19045 6689 1 9 . 1 1 107 107 ALA H H 107 7.940 7.940 8.077 -0.137 19045 6690 1 9 . 1 1 108 108 TYR N N 108 117.339 117.339 115.724 1.615 19045 6691 1 9 . 1 1 108 108 TYR HA H 108 3.048 3.048 3.942 -0.894 19045 6692 1 9 . 1 1 108 108 TYR CA C 108 60.578 60.578 59.867 0.711 19045 6693 1 9 . 1 1 108 108 TYR CB C 108 36.804 36.804 36.213 0.591 19045 6694 1 9 . 1 1 108 108 TYR H H 108 8.783 8.783 8.022 0.761 19045 6695 1 9 . 1 1 109 109 GLU N N 109 123.316 123.316 121.312 2.004 19045 6696 1 9 . 1 1 109 109 GLU HA H 109 3.681 3.681 3.718 -0.037 19045 6697 1 9 . 1 1 109 109 GLU CA C 109 59.152 59.152 58.998 0.154 19045 6698 1 9 . 1 1 109 109 GLU CB C 109 28.782 28.782 28.638 0.144 19045 6699 1 9 . 1 1 109 109 GLU H H 109 8.084 8.084 7.386 0.698 19045 6700 1 9 . 1 1 110 110 TYR N N 110 117.254 117.254 118.031 -0.777 19045 6701 1 9 . 1 1 110 110 TYR HA H 110 4.339 4.339 4.231 0.108 19045 6702 1 9 . 1 1 110 110 TYR CA C 110 58.527 58.527 61.148 -2.620 19045 6703 1 9 . 1 1 110 110 TYR CB C 110 36.323 36.323 38.411 -2.088 19045 6704 1 9 . 1 1 110 110 TYR H H 110 8.282 8.282 7.778 0.504 19045 6705 1 9 . 1 1 111 111 PHE N N 111 119.028 119.028 120.391 -1.363 19045 6706 1 9 . 1 1 111 111 PHE HA H 111 3.889 3.889 4.156 -0.267 19045 6707 1 9 . 1 1 111 111 PHE CA C 111 62.350 62.350 61.443 0.907 19045 6708 1 9 . 1 1 111 111 PHE CB C 111 39.369 39.369 39.346 0.022 19045 6709 1 9 . 1 1 111 111 PHE H H 111 9.197 9.197 8.761 0.436 19045 6710 1 9 . 1 1 112 112 THR N N 112 113.669 113.669 112.300 1.369 19045 6711 1 9 . 1 1 112 112 THR HA H 112 3.411 3.411 3.095 0.316 19045 6712 1 9 . 1 1 112 112 THR CA C 112 67.185 67.185 66.566 0.619 19045 6713 1 9 . 1 1 112 112 THR CB C 112 68.294 68.294 68.085 0.209 19045 6714 1 9 . 1 1 112 112 THR H H 112 8.315 8.315 8.628 -0.313 19045 6715 1 9 . 1 1 113 113 LYS N N 113 124.090 124.090 122.647 1.443 19045 6716 1 9 . 1 1 113 113 LYS HA H 113 3.854 3.854 4.070 -0.216 19045 6717 1 9 . 1 1 113 113 LYS CA C 113 60.416 60.416 59.097 1.319 19045 6718 1 9 . 1 1 113 113 LYS CB C 113 33.219 33.219 32.115 1.104 19045 6719 1 9 . 1 1 113 113 LYS H H 113 8.335 8.335 7.151 1.184 19045 6720 1 9 . 1 1 114 114 ILE N N 114 120.457 120.457 119.311 1.146 19045 6721 1 9 . 1 1 114 114 ILE HA H 114 3.145 3.145 3.635 -0.490 19045 6722 1 9 . 1 1 114 114 ILE CA C 114 65.550 65.550 63.203 2.347 19045 6723 1 9 . 1 1 114 114 ILE CB C 114 37.402 37.402 36.124 1.278 19045 6724 1 9 . 1 1 114 114 ILE H H 114 8.042 8.042 7.734 0.308 19045 6725 1 9 . 1 1 115 115 ALA N N 115 121.066 121.066 122.041 -0.975 19045 6726 1 9 . 1 1 115 115 ALA HA H 115 3.219 3.219 3.910 -0.691 19045 6727 1 9 . 1 1 115 115 ALA CA C 115 54.940 54.940 55.499 -0.559 19045 6728 1 9 . 1 1 115 115 ALA CB C 115 16.345 16.345 17.630 -1.285 19045 6729 1 9 . 1 1 115 115 ALA H H 115 8.208 8.208 7.982 0.226 19045 6730 1 9 . 1 1 116 116 THR N N 116 112.803 112.803 115.560 -2.757 19045 6731 1 9 . 1 1 116 116 THR HA H 116 3.808 3.808 4.206 -0.398 19045 6732 1 9 . 1 1 116 116 THR CA C 116 67.557 67.557 65.907 1.650 19045 6733 1 9 . 1 1 116 116 THR CB C 116 68.431 68.431 68.640 -0.209 19045 6734 1 9 . 1 1 116 116 THR H H 116 7.893 7.893 7.818 0.075 19045 6735 1 9 . 1 1 117 117 SER N N 117 115.935 115.935 117.628 -1.693 19045 6736 1 9 . 1 1 117 117 SER HA H 117 4.070 4.070 4.417 -0.347 19045 6737 1 9 . 1 1 117 117 SER CA C 117 61.879 61.879 61.547 0.333 19045 6738 1 9 . 1 1 117 117 SER CB C 117 62.907 62.907 63.248 -0.341 19045 6739 1 9 . 1 1 117 117 SER H H 117 7.139 7.139 8.061 -0.922 19045 6740 1 9 . 1 1 118 118 LEU N N 118 123.462 123.462 123.906 -0.444 19045 6741 1 9 . 1 1 118 118 LEU HA H 118 3.596 3.596 3.806 -0.210 19045 6742 1 9 . 1 1 118 118 LEU CA C 118 58.014 58.014 57.564 0.450 19045 6743 1 9 . 1 1 118 118 LEU CB C 118 41.687 41.687 42.096 -0.409 19045 6744 1 9 . 1 1 118 118 LEU H H 118 7.844 7.844 7.754 0.090 19045 6745 1 9 . 1 1 119 119 PHE N N 119 110.270 110.270 111.624 -1.354 19045 6746 1 9 . 1 1 119 119 PHE HA H 119 4.721 4.721 4.539 0.182 19045 6747 1 9 . 1 1 119 119 PHE CA C 119 58.698 58.698 57.235 1.463 19045 6748 1 9 . 1 1 119 119 PHE CB C 119 38.838 38.838 37.800 1.038 19045 6749 1 9 . 1 1 119 119 PHE H H 119 6.878 6.878 8.201 -1.323 19045 6750 1 9 . 1 1 120 120 GLU N N 120 123.135 123.135 119.181 3.954 19045 6751 1 9 . 1 1 120 120 GLU HA H 120 4.016 4.016 4.218 -0.202 19045 6752 1 9 . 1 1 120 120 GLU CA C 120 59.532 59.532 58.195 1.337 19045 6753 1 9 . 1 1 120 120 GLU CB C 120 29.337 29.337 29.988 -0.651 19045 6754 1 9 . 1 1 120 120 GLU H H 120 7.551 7.551 7.637 -0.086 19045 6755 1 9 . 1 1 121 121 SER N N 121 107.983 107.983 113.631 -5.648 19045 6756 1 9 . 1 1 121 121 SER HA H 121 4.522 4.522 4.559 -0.037 19045 6757 1 9 . 1 1 121 121 SER CA C 121 57.342 57.342 59.249 -1.907 19045 6758 1 9 . 1 1 121 121 SER CB C 121 63.353 63.353 64.982 -1.629 19045 6759 1 9 . 1 1 121 121 SER H H 121 7.712 7.712 8.070 -0.358 19045 6760 1 9 . 1 1 122 122 GLY N N 122 110.748 110.748 108.669 2.079 19045 6761 1 9 . 1 1 122 122 GLY CA C 122 44.419 44.419 45.173 -0.754 19045 6762 1 9 . 1 1 122 122 GLY H H 122 7.317 7.317 7.866 -0.549 19045 6763 1 9 . 1 1 123 123 ILE N N 123 117.061 117.061 118.699 -1.638 19045 6764 1 9 . 1 1 123 123 ILE HA H 123 3.724 3.724 4.159 -0.435 19045 6765 1 9 . 1 1 123 123 ILE CA C 123 61.383 61.383 60.337 1.046 19045 6766 1 9 . 1 1 123 123 ILE CB C 123 40.588 40.588 39.050 1.538 19045 6767 1 9 . 1 1 123 123 ILE H H 123 7.963 7.963 8.207 -0.244 19045 6768 1 9 . 1 1 124 124 ASN N N 124 117.915 117.915 122.584 -4.669 19045 6769 1 9 . 1 1 124 124 ASN HA H 124 4.204 4.204 4.879 -0.675 19045 6770 1 9 . 1 1 124 124 ASN CA C 124 51.886 51.886 52.462 -0.576 19045 6771 1 9 . 1 1 124 124 ASN CB C 124 39.033 39.033 41.213 -2.180 19045 6772 1 9 . 1 1 124 124 ASN H H 124 6.434 6.434 7.866 -1.432 19045 6773 1 9 . 1 1 125 125 TRP N N 125 119.673 119.673 123.435 -3.762 19045 6774 1 9 . 1 1 125 125 TRP HA H 125 4.470 4.470 4.518 -0.048 19045 6775 1 9 . 1 1 125 125 TRP CA C 125 61.257 61.257 60.883 0.374 19045 6776 1 9 . 1 1 125 125 TRP CB C 125 30.287 30.287 29.611 0.676 19045 6777 1 9 . 1 1 125 125 TRP H H 125 8.824 8.824 9.100 -0.276 19045 6778 1 9 . 1 1 126 126 GLY N N 126 107.516 107.516 106.185 1.331 19045 6779 1 9 . 1 1 126 126 GLY CA C 126 48.294 48.294 47.148 1.146 19045 6780 1 9 . 1 1 126 126 GLY H H 126 9.118 9.118 8.736 0.382 19045 6781 1 9 . 1 1 127 127 ARG N N 127 119.610 119.610 122.254 -2.644 19045 6782 1 9 . 1 1 127 127 ARG HA H 127 3.742 3.742 3.983 -0.241 19045 6783 1 9 . 1 1 127 127 ARG CA C 127 59.551 59.551 59.053 0.498 19045 6784 1 9 . 1 1 127 127 ARG CB C 127 31.163 31.163 29.871 1.292 19045 6785 1 9 . 1 1 127 127 ARG H H 127 8.616 8.616 7.363 1.253 19045 6786 1 9 . 1 1 128 128 VAL N N 128 120.289 120.289 119.204 1.085 19045 6787 1 9 . 1 1 128 128 VAL HA H 128 3.662 3.662 3.966 -0.304 19045 6788 1 9 . 1 1 128 128 VAL CA C 128 68.387 68.387 66.064 2.323 19045 6789 1 9 . 1 1 128 128 VAL CB C 128 31.127 31.127 31.069 0.058 19045 6790 1 9 . 1 1 128 128 VAL H H 128 7.762 7.762 7.982 -0.220 19045 6791 1 9 . 1 1 129 129 VAL N N 129 119.577 119.577 119.775 -0.198 19045 6792 1 9 . 1 1 129 129 VAL HA H 129 3.449 3.449 3.614 -0.165 19045 6793 1 9 . 1 1 129 129 VAL CA C 129 67.772 67.772 67.335 0.437 19045 6794 1 9 . 1 1 129 129 VAL CB C 129 30.918 30.918 31.544 -0.627 19045 6795 1 9 . 1 1 129 129 VAL H H 129 8.433 8.433 7.677 0.756 19045 6796 1 9 . 1 1 130 130 ALA N N 130 123.330 123.330 123.221 0.109 19045 6797 1 9 . 1 1 130 130 ALA HA H 130 4.069 4.069 4.148 -0.079 19045 6798 1 9 . 1 1 130 130 ALA CA C 130 54.978 54.978 55.063 -0.085 19045 6799 1 9 . 1 1 130 130 ALA CB C 130 17.446 17.446 18.352 -0.906 19045 6800 1 9 . 1 1 130 130 ALA H H 130 8.766 8.766 7.944 0.822 19045 6801 1 9 . 1 1 131 131 LEU N N 131 120.040 120.040 119.425 0.615 19045 6802 1 9 . 1 1 131 131 LEU HA H 131 3.961 3.961 4.446 -0.485 19045 6803 1 9 . 1 1 131 131 LEU CA C 131 58.353 58.353 58.552 -0.199 19045 6804 1 9 . 1 1 131 131 LEU CB C 131 40.750 40.750 42.273 -1.524 19045 6805 1 9 . 1 1 131 131 LEU H H 131 8.178 8.178 8.296 -0.118 19045 6806 1 9 . 1 1 132 132 LEU N N 132 119.150 119.150 117.250 1.900 19045 6807 1 9 . 1 1 132 132 LEU HA H 132 3.952 3.952 4.333 -0.381 19045 6808 1 9 . 1 1 132 132 LEU CA C 132 58.620 58.620 57.498 1.123 19045 6809 1 9 . 1 1 132 132 LEU CB C 132 38.835 38.835 41.002 -2.167 19045 6810 1 9 . 1 1 132 132 LEU H H 132 7.927 7.927 7.555 0.372 19045 6811 1 9 . 1 1 133 133 GLY N N 133 107.066 107.066 108.330 -1.264 19045 6812 1 9 . 1 1 133 133 GLY CA C 133 48.339 48.339 47.779 0.560 19045 6813 1 9 . 1 1 133 133 GLY H H 133 8.752 8.752 8.334 0.418 19045 6814 1 9 . 1 1 134 134 PHE N N 134 123.521 123.521 121.291 2.230 19045 6815 1 9 . 1 1 134 134 PHE HA H 134 4.601 4.601 4.717 -0.116 19045 6816 1 9 . 1 1 134 134 PHE CA C 134 59.884 59.884 58.377 1.507 19045 6817 1 9 . 1 1 134 134 PHE CB C 134 38.622 38.622 38.658 -0.036 19045 6818 1 9 . 1 1 134 134 PHE H H 134 8.606 8.606 8.623 -0.017 19045 6819 1 9 . 1 1 135 135 GLY N N 135 106.412 106.412 109.555 -3.143 19045 6820 1 9 . 1 1 135 135 GLY CA C 135 47.731 47.731 47.262 0.469 19045 6821 1 9 . 1 1 135 135 GLY H H 135 8.715 8.715 7.913 0.802 19045 6822 1 9 . 1 1 136 136 TYR N N 136 121.461 121.461 122.914 -1.453 19045 6823 1 9 . 1 1 136 136 TYR HA H 136 4.116 4.116 4.296 -0.180 19045 6824 1 9 . 1 1 136 136 TYR CA C 136 61.564 61.564 61.857 -0.293 19045 6825 1 9 . 1 1 136 136 TYR CB C 136 38.469 38.469 38.713 -0.244 19045 6826 1 9 . 1 1 136 136 TYR H H 136 8.809 8.809 8.087 0.722 19045 6827 1 9 . 1 1 137 137 ARG N N 137 117.518 117.518 119.220 -1.702 19045 6828 1 9 . 1 1 137 137 ARG HA H 137 3.647 3.647 4.169 -0.522 19045 6829 1 9 . 1 1 137 137 ARG CA C 137 58.904 58.904 60.041 -1.137 19045 6830 1 9 . 1 1 137 137 ARG CB C 137 29.189 29.189 30.314 -1.125 19045 6831 1 9 . 1 1 137 137 ARG H H 137 8.646 8.646 7.867 0.779 19045 6832 1 9 . 1 1 138 138 LEU N N 138 121.658 121.658 120.097 1.561 19045 6833 1 9 . 1 1 138 138 LEU HA H 138 3.905 3.905 4.170 -0.265 19045 6834 1 9 . 1 1 138 138 LEU CA C 138 58.454 58.454 58.242 0.212 19045 6835 1 9 . 1 1 138 138 LEU CB C 138 41.801 41.801 42.184 -0.383 19045 6836 1 9 . 1 1 138 138 LEU H H 138 9.065 9.065 8.633 0.432 19045 6837 1 9 . 1 1 139 139 ALA N N 139 120.012 120.012 121.407 -1.395 19045 6838 1 9 . 1 1 139 139 ALA HA H 139 4.004 4.004 4.420 -0.416 19045 6839 1 9 . 1 1 139 139 ALA CA C 139 55.174 55.174 55.091 0.083 19045 6840 1 9 . 1 1 139 139 ALA CB C 139 17.943 17.943 18.431 -0.488 19045 6841 1 9 . 1 1 139 139 ALA H H 139 8.237 8.237 8.038 0.199 19045 6842 1 9 . 1 1 140 140 LEU N N 140 119.522 119.522 119.914 -0.392 19045 6843 1 9 . 1 1 140 140 LEU HA H 140 4.000 4.000 4.193 -0.193 19045 6844 1 9 . 1 1 140 140 LEU CA C 140 57.805 57.805 57.797 0.008 19045 6845 1 9 . 1 1 140 140 LEU CB C 140 42.324 42.324 42.191 0.133 19045 6846 1 9 . 1 1 140 140 LEU H H 140 8.191 8.191 8.348 -0.157 19045 6847 1 9 . 1 1 141 141 HIS N N 141 117.834 117.834 116.487 1.347 19045 6848 1 9 . 1 1 141 141 HIS HA H 141 4.183 4.183 4.409 -0.226 19045 6849 1 9 . 1 1 141 141 HIS CA C 141 60.960 60.960 59.820 1.140 19045 6850 1 9 . 1 1 141 141 HIS CB C 141 31.708 31.708 30.733 0.976 19045 6851 1 9 . 1 1 141 141 HIS H H 141 8.253 8.253 8.325 -0.072 19045 6852 1 9 . 1 1 142 142 VAL N N 142 113.700 113.700 114.310 -0.610 19045 6853 1 9 . 1 1 142 142 VAL HA H 142 3.887 3.887 4.186 -0.299 19045 6854 1 9 . 1 1 142 142 VAL CA C 142 65.948 65.948 63.599 2.349 19045 6855 1 9 . 1 1 142 142 VAL CB C 142 30.264 30.264 32.341 -2.077 19045 6856 1 9 . 1 1 142 142 VAL H H 142 8.455 8.455 7.392 1.063 19045 6857 1 9 . 1 1 143 143 TYR N N 143 123.307 123.307 121.107 2.200 19045 6858 1 9 . 1 1 143 143 TYR HA H 143 4.320 4.320 3.953 0.367 19045 6859 1 9 . 1 1 143 143 TYR CA C 143 61.934 61.934 61.403 0.531 19045 6860 1 9 . 1 1 143 143 TYR CB C 143 38.779 38.779 38.856 -0.077 19045 6861 1 9 . 1 1 143 143 TYR H H 143 7.750 7.750 8.022 -0.272 19045 6862 1 9 . 1 1 144 144 GLN N N 144 118.560 118.560 116.735 1.825 19045 6863 1 9 . 1 1 144 144 GLN HA H 144 3.686 3.686 3.934 -0.248 19045 6864 1 9 . 1 1 144 144 GLN CA C 144 58.055 58.055 58.543 -0.488 19045 6865 1 9 . 1 1 144 144 GLN CB C 144 27.859 27.859 28.585 -0.727 19045 6866 1 9 . 1 1 144 144 GLN H H 144 8.486 8.486 8.090 0.396 19045 6867 1 9 . 1 1 145 145 HIS N N 145 114.312 114.312 116.930 -2.618 19045 6868 1 9 . 1 1 145 145 HIS HA H 145 4.330 4.330 4.400 -0.070 19045 6869 1 9 . 1 1 145 145 HIS CA C 145 56.178 56.178 57.374 -1.196 19045 6870 1 9 . 1 1 145 145 HIS CB C 145 27.751 27.751 30.472 -2.721 19045 6871 1 9 . 1 1 145 145 HIS H H 145 7.350 7.350 7.475 -0.125 19045 6872 1 9 . 1 1 146 146 GLY N N 146 106.537 106.537 107.120 -0.583 19045 6873 1 9 . 1 1 146 146 GLY CA C 146 45.715 45.715 44.739 0.976 19045 6874 1 9 . 1 1 146 146 GLY H H 146 7.471 7.471 7.212 0.259 19045 6875 1 9 . 1 1 147 147 LEU N N 147 123.302 123.302 123.461 -0.159 19045 6876 1 9 . 1 1 147 147 LEU HA H 147 4.496 4.496 4.595 -0.099 19045 6877 1 9 . 1 1 147 147 LEU CA C 147 54.259 54.259 53.591 0.668 19045 6878 1 9 . 1 1 147 147 LEU CB C 147 41.033 41.033 46.353 -5.320 19045 6879 1 9 . 1 1 147 147 LEU H H 147 7.933 7.933 8.068 -0.135 19045 6880 1 9 . 1 1 148 148 THR HA H 148 4.523 4.523 4.585 -0.062 19045 6881 1 9 . 1 1 148 148 THR CA C 148 61.027 61.027 62.105 -1.079 19045 6882 1 9 . 1 1 148 148 THR CB C 148 70.359 70.359 69.029 1.329 19045 6883 1 9 . 1 1 149 149 GLY CA C 149 47.016 47.016 45.499 1.516 19045 6884 1 9 . 1 1 149 149 GLY H H 149 8.458 8.458 8.788 -0.330 19045 6885 1 9 . 1 1 150 150 PHE N N 150 123.408 123.408 122.396 1.012 19045 6886 1 9 . 1 1 150 150 PHE HA H 150 4.555 4.555 4.461 0.094 19045 6887 1 9 . 1 1 150 150 PHE CA C 150 57.964 57.964 58.422 -0.458 19045 6888 1 9 . 1 1 150 150 PHE CB C 150 42.911 42.911 40.257 2.654 19045 6889 1 9 . 1 1 150 150 PHE H H 150 9.331 9.331 8.373 0.958 19045 6890 1 9 . 1 1 151 151 LEU N N 151 123.032 123.032 120.195 2.837 19045 6891 1 9 . 1 1 151 151 LEU HA H 151 3.859 3.859 3.779 0.080 19045 6892 1 9 . 1 1 151 151 LEU CA C 151 58.454 58.454 58.825 -0.371 19045 6893 1 9 . 1 1 151 151 LEU CB C 151 40.948 40.948 40.226 0.722 19045 6894 1 9 . 1 1 151 151 LEU H H 151 8.470 8.470 8.081 0.389 19045 6895 1 9 . 1 1 152 152 GLY N N 152 108.386 108.386 105.180 3.206 19045 6896 1 9 . 1 1 152 152 GLY CA C 152 46.676 46.676 47.403 -0.727 19045 6897 1 9 . 1 1 152 152 GLY H H 152 8.577 8.577 8.439 0.138 19045 6898 1 9 . 1 1 153 153 GLN N N 153 122.055 122.055 121.095 0.960 19045 6899 1 9 . 1 1 153 153 GLN HA H 153 3.532 3.532 3.566 -0.034 19045 6900 1 9 . 1 1 153 153 GLN CA C 153 57.844 57.844 57.698 0.146 19045 6901 1 9 . 1 1 153 153 GLN CB C 153 26.442 26.442 27.635 -1.193 19045 6902 1 9 . 1 1 153 153 GLN H H 153 7.106 7.106 7.950 -0.844 19045 6903 1 9 . 1 1 154 154 VAL N N 154 116.706 116.706 119.754 -3.048 19045 6904 1 9 . 1 1 154 154 VAL HA H 154 2.428 2.428 3.341 -0.913 19045 6905 1 9 . 1 1 154 154 VAL CA C 154 66.089 66.089 66.371 -0.282 19045 6906 1 9 . 1 1 154 154 VAL CB C 154 31.463 31.463 30.725 0.738 19045 6907 1 9 . 1 1 154 154 VAL H H 154 7.033 7.033 8.040 -1.007 19045 6908 1 9 . 1 1 155 155 THR N N 155 114.165 114.165 115.655 -1.490 19045 6909 1 9 . 1 1 155 155 THR HA H 155 3.317 3.317 3.438 -0.121 19045 6910 1 9 . 1 1 155 155 THR CA C 155 67.050 67.050 66.843 0.207 19045 6911 1 9 . 1 1 155 155 THR CB C 155 68.307 68.307 68.420 -0.113 19045 6912 1 9 . 1 1 155 155 THR H H 155 7.860 7.860 8.005 -0.145 19045 6913 1 9 . 1 1 156 156 ARG N N 156 119.890 119.890 120.499 -0.609 19045 6914 1 9 . 1 1 156 156 ARG HA H 156 3.769 3.769 3.903 -0.134 19045 6915 1 9 . 1 1 156 156 ARG CA C 156 58.769 58.769 58.636 0.133 19045 6916 1 9 . 1 1 156 156 ARG CB C 156 28.693 28.693 29.247 -0.554 19045 6917 1 9 . 1 1 156 156 ARG H H 156 7.019 7.019 7.724 -0.705 19045 6918 1 9 . 1 1 157 157 PHE N N 157 118.242 118.242 118.866 -0.624 19045 6919 1 9 . 1 1 157 157 PHE HA H 157 4.426 4.426 4.333 0.093 19045 6920 1 9 . 1 1 157 157 PHE CA C 157 56.928 56.928 60.339 -3.411 19045 6921 1 9 . 1 1 157 157 PHE CB C 157 35.794 35.794 37.731 -1.937 19045 6922 1 9 . 1 1 157 157 PHE H H 157 8.030 8.030 7.685 0.345 19045 6923 1 9 . 1 1 158 158 VAL N N 158 118.961 118.961 119.578 -0.617 19045 6924 1 9 . 1 1 158 158 VAL HA H 158 3.425 3.425 4.444 -1.019 19045 6925 1 9 . 1 1 158 158 VAL CA C 158 67.288 67.288 66.948 0.340 19045 6926 1 9 . 1 1 158 158 VAL CB C 158 31.554 31.554 30.726 0.828 19045 6927 1 9 . 1 1 158 158 VAL H H 158 7.607 7.607 8.094 -0.487 19045 6928 1 9 . 1 1 159 159 VAL N N 159 119.773 119.773 118.930 0.843 19045 6929 1 9 . 1 1 159 159 VAL HA H 159 3.358 3.358 3.604 -0.246 19045 6930 1 9 . 1 1 159 159 VAL CA C 159 67.570 67.570 65.523 2.046 19045 6931 1 9 . 1 1 159 159 VAL CB C 159 32.355 32.355 30.251 2.104 19045 6932 1 9 . 1 1 159 159 VAL H H 159 8.039 8.039 8.040 -0.001 19045 6933 1 9 . 1 1 160 160 ASP N N 160 118.382 118.382 121.916 -3.534 19045 6934 1 9 . 1 1 160 160 ASP HA H 160 4.293 4.293 4.334 -0.041 19045 6935 1 9 . 1 1 160 160 ASP CA C 160 57.567 57.567 57.493 0.074 19045 6936 1 9 . 1 1 160 160 ASP CB C 160 41.474 41.474 40.756 0.718 19045 6937 1 9 . 1 1 160 160 ASP H H 160 8.752 8.752 8.088 0.664 19045 6938 1 9 . 1 1 161 161 PHE N N 161 119.972 119.972 118.578 1.394 19045 6939 1 9 . 1 1 161 161 PHE HA H 161 4.175 4.175 4.189 -0.014 19045 6940 1 9 . 1 1 161 161 PHE CA C 161 62.688 62.688 59.638 3.050 19045 6941 1 9 . 1 1 161 161 PHE CB C 161 39.789 39.789 38.912 0.877 19045 6942 1 9 . 1 1 161 161 PHE H H 161 8.558 8.558 8.350 0.208 19045 6943 1 9 . 1 1 162 162 MET N N 162 116.261 116.261 119.860 -3.599 19045 6944 1 9 . 1 1 162 162 MET HA H 162 3.702 3.702 3.178 0.524 19045 6945 1 9 . 1 1 162 162 MET CA C 162 59.342 59.342 57.936 1.406 19045 6946 1 9 . 1 1 162 162 MET CB C 162 32.081 32.081 32.139 -0.057 19045 6947 1 9 . 1 1 162 162 MET H H 162 8.597 8.597 7.413 1.184 19045 6948 1 9 . 1 1 163 163 LEU N N 163 119.069 119.069 115.323 3.746 19045 6949 1 9 . 1 1 163 163 LEU HA H 163 3.952 3.952 3.944 0.008 19045 6950 1 9 . 1 1 163 163 LEU CA C 163 57.856 57.856 56.763 1.093 19045 6951 1 9 . 1 1 163 163 LEU CB C 163 42.236 42.236 41.628 0.608 19045 6952 1 9 . 1 1 163 163 LEU H H 163 8.291 8.291 7.223 1.068 19045 6953 1 9 . 1 1 164 164 HIS N N 164 113.591 113.591 111.814 1.777 19045 6954 1 9 . 1 1 164 164 HIS HA H 164 4.430 4.430 4.783 -0.353 19045 6955 1 9 . 1 1 164 164 HIS CA C 164 57.289 57.289 54.535 2.754 19045 6956 1 9 . 1 1 164 164 HIS CB C 164 28.766 28.766 29.294 -0.528 19045 6957 1 9 . 1 1 164 164 HIS H H 164 8.111 8.111 6.988 1.123 19045 6958 1 9 . 1 1 165 165 HIS N N 165 115.730 115.730 120.645 -4.915 19045 6959 1 9 . 1 1 165 165 HIS HA H 165 4.602 4.602 4.726 -0.124 19045 6960 1 9 . 1 1 165 165 HIS CA C 165 54.752 54.752 56.395 -1.643 19045 6961 1 9 . 1 1 165 165 HIS CB C 165 26.766 26.766 30.974 -4.208 19045 6962 1 9 . 1 1 165 165 HIS H H 165 7.789 7.789 7.988 -0.199 19045 6963 1 9 . 1 1 166 166 CYS N N 166 109.533 109.533 116.386 -6.853 19045 6964 1 9 . 1 1 166 166 CYS HA H 166 4.274 4.274 4.051 0.223 19045 6965 1 9 . 1 1 166 166 CYS CA C 166 61.452 61.452 60.011 1.441 19045 6966 1 9 . 1 1 166 166 CYS CB C 166 25.215 25.215 26.566 -1.351 19045 6967 1 9 . 1 1 166 166 CYS H H 166 7.761 7.761 8.551 -0.790 19045 6968 1 9 . 1 1 167 167 ILE N N 167 119.980 119.980 120.216 -0.236 19045 6969 1 9 . 1 1 167 167 ILE HA H 167 3.563 3.563 3.707 -0.144 19045 6970 1 9 . 1 1 167 167 ILE CA C 167 62.212 62.212 63.247 -1.035 19045 6971 1 9 . 1 1 167 167 ILE CB C 167 35.969 35.969 36.870 -0.901 19045 6972 1 9 . 1 1 167 167 ILE H H 167 7.574 7.574 7.743 -0.169 19045 6973 1 9 . 1 1 168 168 ALA N N 168 121.737 121.737 122.653 -0.916 19045 6974 1 9 . 1 1 168 168 ALA HA H 168 3.775 3.775 3.881 -0.106 19045 6975 1 9 . 1 1 168 168 ALA CA C 168 55.082 55.082 55.504 -0.422 19045 6976 1 9 . 1 1 168 168 ALA CB C 168 16.505 16.505 18.093 -1.587 19045 6977 1 9 . 1 1 168 168 ALA H H 168 7.935 7.935 7.735 0.200 19045 6978 1 9 . 1 1 169 169 ARG N N 169 118.369 118.369 117.645 0.724 19045 6979 1 9 . 1 1 169 169 ARG HA H 169 3.550 3.550 3.999 -0.449 19045 6980 1 9 . 1 1 169 169 ARG CA C 169 59.581 59.581 58.547 1.034 19045 6981 1 9 . 1 1 169 169 ARG CB C 169 29.380 29.380 29.407 -0.028 19045 6982 1 9 . 1 1 169 169 ARG H H 169 7.936 7.936 8.540 -0.604 19045 6983 1 9 . 1 1 170 170 TRP N N 170 121.173 121.173 122.154 -0.981 19045 6984 1 9 . 1 1 170 170 TRP HA H 170 3.763 3.763 4.201 -0.438 19045 6985 1 9 . 1 1 170 170 TRP CA C 170 62.080 62.080 61.706 0.374 19045 6986 1 9 . 1 1 170 170 TRP CB C 170 29.423 29.423 29.029 0.394 19045 6987 1 9 . 1 1 170 170 TRP H H 170 7.259 7.259 7.321 -0.062 19045 6988 1 9 . 1 1 171 171 ILE N N 171 117.994 117.994 118.474 -0.480 19045 6989 1 9 . 1 1 171 171 ILE HA H 171 2.864 2.864 3.007 -0.143 19045 6990 1 9 . 1 1 171 171 ILE CA C 171 65.347 65.347 64.704 0.643 19045 6991 1 9 . 1 1 171 171 ILE CB C 171 37.781 37.781 37.511 0.270 19045 6992 1 9 . 1 1 171 171 ILE H H 171 8.074 8.074 8.286 -0.212 19045 6993 1 9 . 1 1 172 172 ALA N N 172 123.588 123.588 120.966 2.622 19045 6994 1 9 . 1 1 172 172 ALA HA H 172 3.506 3.506 3.888 -0.382 19045 6995 1 9 . 1 1 172 172 ALA CA C 172 55.685 55.685 54.883 0.802 19045 6996 1 9 . 1 1 172 172 ALA CB C 172 17.050 17.050 18.314 -1.264 19045 6997 1 9 . 1 1 172 172 ALA H H 172 8.511 8.511 7.937 0.574 19045 6998 1 9 . 1 1 173 173 GLN N N 173 117.382 117.382 116.457 0.925 19045 6999 1 9 . 1 1 173 173 GLN HA H 173 3.854 3.854 3.975 -0.121 19045 7000 1 9 . 1 1 173 173 GLN CA C 173 57.904 57.904 57.788 0.117 19045 7001 1 9 . 1 1 173 173 GLN CB C 173 28.141 28.141 28.624 -0.483 19045 7002 1 9 . 1 1 173 173 GLN H H 173 7.898 7.898 7.532 0.366 19045 7003 1 9 . 1 1 174 174 ARG N N 174 116.800 116.800 115.883 0.917 19045 7004 1 9 . 1 1 174 174 ARG HA H 174 4.097 4.097 4.101 -0.004 19045 7005 1 9 . 1 1 174 174 ARG CA C 174 55.395 55.395 55.497 -0.102 19045 7006 1 9 . 1 1 174 174 ARG CB C 174 29.652 29.652 30.079 -0.427 19045 7007 1 9 . 1 1 174 174 ARG H H 174 6.984 6.984 7.381 -0.397 19045 7008 1 9 . 1 1 175 175 GLY N N 175 104.194 104.194 106.579 -2.385 19045 7009 1 9 . 1 1 175 175 GLY CA C 175 44.340 44.340 44.668 -0.328 19045 7010 1 9 . 1 1 175 175 GLY H H 175 7.418 7.418 7.276 0.142 19045 7011 1 9 . 1 1 176 176 GLY N N 176 107.629 107.629 107.465 0.164 19045 7012 1 9 . 1 1 176 176 GLY CA C 176 43.501 43.501 44.920 -1.419 19045 7013 1 9 . 1 1 176 176 GLY H H 176 8.072 8.072 7.599 0.473 19045 7014 1 9 . 1 1 177 177 TRP N N 177 117.887 117.887 121.325 -3.438 19045 7015 1 9 . 1 1 177 177 TRP HA H 177 4.476 4.476 4.792 -0.316 19045 7016 1 9 . 1 1 177 177 TRP CA C 177 61.083 61.083 59.950 1.133 19045 7017 1 9 . 1 1 177 177 TRP CB C 177 30.927 30.927 29.441 1.486 19045 7018 1 9 . 1 1 177 177 TRP H H 177 8.218 8.218 8.839 -0.621 19045 7019 1 9 . 1 1 178 178 VAL N N 178 112.929 112.929 119.174 -6.245 19045 7020 1 9 . 1 1 178 178 VAL HA H 178 3.688 3.688 3.865 -0.176 19045 7021 1 9 . 1 1 178 178 VAL CA C 178 64.680 64.680 64.218 0.462 19045 7022 1 9 . 1 1 178 178 VAL CB C 178 31.057 31.057 30.305 0.751 19045 7023 1 9 . 1 1 178 178 VAL H H 178 8.284 8.284 7.859 0.425 19045 7024 1 9 . 1 1 179 179 ALA N N 179 125.101 125.101 122.039 3.062 19045 7025 1 9 . 1 1 179 179 ALA HA H 179 4.009 4.009 4.261 -0.252 19045 7026 1 9 . 1 1 179 179 ALA CA C 179 54.344 54.344 53.633 0.711 19045 7027 1 9 . 1 1 179 179 ALA CB C 179 18.555 18.555 18.444 0.111 19045 7028 1 9 . 1 1 179 179 ALA H H 179 7.670 7.670 7.784 -0.114 19045 7029 1 9 . 1 1 180 180 ALA N N 180 119.081 119.081 123.185 -4.104 19045 7030 1 9 . 1 1 180 180 ALA HA H 180 3.293 3.293 3.559 -0.266 19045 7031 1 9 . 1 1 180 180 ALA CA C 180 52.783 52.783 54.898 -2.115 19045 7032 1 9 . 1 1 180 180 ALA CB C 180 18.113 18.113 18.529 -0.416 19045 7033 1 9 . 1 1 180 180 ALA H H 180 8.058 8.058 7.460 0.598 19045 7034 1 9 . 1 1 181 181 LEU N N 181 114.169 114.169 113.561 0.608 19045 7035 1 9 . 1 1 181 181 LEU HA H 181 3.911 3.911 3.909 0.002 19045 7036 1 9 . 1 1 181 181 LEU CA C 181 56.128 56.128 56.510 -0.382 19045 7037 1 9 . 1 1 181 181 LEU CB C 181 40.955 40.955 40.896 0.059 19045 7038 1 9 . 1 1 181 181 LEU H H 181 7.342 7.342 7.788 -0.446 19045 7039 1 9 . 1 1 182 182 ASN N N 182 115.061 115.061 116.171 -1.110 19045 7040 1 9 . 1 1 182 182 ASN HA H 182 4.743 4.743 4.701 0.042 19045 7041 1 9 . 1 1 182 182 ASN CA C 182 52.508 52.508 53.245 -0.737 19045 7042 1 9 . 1 1 182 182 ASN CB C 182 39.091 39.091 38.814 0.277 19045 7043 1 9 . 1 1 182 182 ASN H H 182 7.289 7.289 7.840 -0.551 19045 7044 1 9 . 1 1 183 183 LEU N N 183 119.889 119.889 119.277 0.612 19045 7045 1 9 . 1 1 183 183 LEU HA H 183 4.125 4.125 4.613 -0.488 19045 7046 1 9 . 1 1 183 183 LEU CA C 183 55.201 55.201 53.729 1.472 19045 7047 1 9 . 1 1 183 183 LEU CB C 183 42.174 42.174 42.846 -0.672 19045 7048 1 9 . 1 1 183 183 LEU H H 183 7.148 7.148 7.539 -0.391 19045 7049 1 9 . 1 1 184 184 GLY N N 184 107.883 107.883 107.509 0.374 19045 7050 1 9 . 1 1 184 184 GLY CA C 184 45.256 45.256 46.893 -1.637 19045 7051 1 9 . 1 1 184 184 GLY H H 184 8.486 8.486 8.598 -0.112 19045 7052 1 9 . 1 1 185 185 ASN N N 185 118.093 118.093 120.739 -2.646 19045 7053 1 9 . 1 1 185 185 ASN HA H 185 4.755 4.755 4.677 0.078 19045 7054 1 9 . 1 1 185 185 ASN CA C 185 52.812 52.812 52.479 0.333 19045 7055 1 9 . 1 1 185 185 ASN CB C 185 39.297 39.297 39.105 0.192 19045 7056 1 9 . 1 1 185 185 ASN H H 185 8.074 8.074 8.252 -0.178 19045 7057 1 10 . 1 1 19 19 LEU N N 19 122.834 122.834 122.009 0.825 19045 7058 1 10 . 1 1 19 19 LEU HA H 19 4.523 4.523 4.701 -0.178 19045 7059 1 10 . 1 1 19 19 LEU CA C 19 52.690 52.690 53.795 -1.105 19045 7060 1 10 . 1 1 19 19 LEU CB C 19 41.808 41.808 41.985 -0.177 19045 7061 1 10 . 1 1 19 19 LEU H H 19 8.080 8.080 8.372 -0.292 19045 7062 1 10 . 1 1 20 20 PRO HA H 20 4.353 4.353 4.581 -0.228 19045 7063 1 10 . 1 1 20 20 PRO CA C 20 62.826 62.826 62.404 0.422 19045 7064 1 10 . 1 1 20 20 PRO CB C 20 31.969 31.969 32.341 -0.372 19045 7065 1 10 . 1 1 21 21 SER N N 21 116.268 116.268 113.241 3.027 19045 7066 1 10 . 1 1 21 21 SER HA H 21 4.249 4.249 4.662 -0.413 19045 7067 1 10 . 1 1 21 21 SER CA C 21 58.338 58.338 57.401 0.937 19045 7068 1 10 . 1 1 21 21 SER CB C 21 63.856 63.856 65.115 -1.259 19045 7069 1 10 . 1 1 21 21 SER H H 21 8.246 8.246 8.193 0.053 19045 7070 1 10 . 1 1 22 22 ALA N N 22 125.246 125.246 124.098 1.148 19045 7071 1 10 . 1 1 22 22 ALA HA H 22 4.405 4.405 4.456 -0.051 19045 7072 1 10 . 1 1 22 22 ALA CA C 22 52.086 52.086 52.081 0.005 19045 7073 1 10 . 1 1 22 22 ALA CB C 22 19.582 19.582 20.312 -0.730 19045 7074 1 10 . 1 1 22 22 ALA H H 22 8.192 8.192 8.254 -0.062 19045 7075 1 10 . 1 1 23 23 SER N N 23 114.236 114.236 114.469 -0.233 19045 7076 1 10 . 1 1 23 23 SER HA H 23 4.469 4.469 4.803 -0.334 19045 7077 1 10 . 1 1 23 23 SER CA C 23 57.386 57.386 56.714 0.672 19045 7078 1 10 . 1 1 23 23 SER CB C 23 64.582 64.582 65.494 -0.912 19045 7079 1 10 . 1 1 23 23 SER H H 23 8.081 8.081 8.332 -0.251 19045 7080 1 10 . 1 1 24 24 GLU N N 24 124.005 124.005 123.151 0.854 19045 7081 1 10 . 1 1 24 24 GLU HA H 24 3.534 3.534 3.863 -0.329 19045 7082 1 10 . 1 1 24 24 GLU CA C 24 59.772 59.772 60.387 -0.615 19045 7083 1 10 . 1 1 24 24 GLU CB C 24 29.798 29.798 29.424 0.374 19045 7084 1 10 . 1 1 24 24 GLU H H 24 8.702 8.702 9.021 -0.319 19045 7085 1 10 . 1 1 25 25 GLU N N 25 118.390 118.390 117.115 1.275 19045 7086 1 10 . 1 1 25 25 GLU HA H 25 3.796 3.796 3.955 -0.159 19045 7087 1 10 . 1 1 25 25 GLU CA C 25 59.939 59.939 59.436 0.503 19045 7088 1 10 . 1 1 25 25 GLU CB C 25 29.217 29.217 29.093 0.124 19045 7089 1 10 . 1 1 25 25 GLU H H 25 8.559 8.559 8.816 -0.257 19045 7090 1 10 . 1 1 26 26 GLN N N 26 120.776 120.776 118.644 2.132 19045 7091 1 10 . 1 1 26 26 GLN HA H 26 3.916 3.916 4.214 -0.298 19045 7092 1 10 . 1 1 26 26 GLN CA C 26 58.343 58.343 58.416 -0.073 19045 7093 1 10 . 1 1 26 26 GLN CB C 26 28.119 28.119 27.921 0.198 19045 7094 1 10 . 1 1 26 26 GLN H H 26 7.764 7.764 7.745 0.019 19045 7095 1 10 . 1 1 27 27 VAL N N 27 118.723 118.723 121.935 -3.212 19045 7096 1 10 . 1 1 27 27 VAL HA H 27 3.933 3.933 3.809 0.124 19045 7097 1 10 . 1 1 27 27 VAL CA C 27 66.285 66.285 66.193 0.092 19045 7098 1 10 . 1 1 27 27 VAL CB C 27 31.596 31.596 30.999 0.597 19045 7099 1 10 . 1 1 27 27 VAL H H 27 8.062 8.062 8.180 -0.118 19045 7100 1 10 . 1 1 28 28 ALA N N 28 122.902 122.902 122.159 0.743 19045 7101 1 10 . 1 1 28 28 ALA HA H 28 4.026 4.026 3.968 0.058 19045 7102 1 10 . 1 1 28 28 ALA CA C 28 56.178 56.178 55.571 0.607 19045 7103 1 10 . 1 1 28 28 ALA CB C 28 18.463 18.463 18.154 0.309 19045 7104 1 10 . 1 1 28 28 ALA H H 28 8.412 8.412 8.215 0.197 19045 7105 1 10 . 1 1 29 29 GLN N N 29 117.996 117.996 118.578 -0.582 19045 7106 1 10 . 1 1 29 29 GLN HA H 29 4.084 4.084 4.108 -0.024 19045 7107 1 10 . 1 1 29 29 GLN CA C 29 59.063 59.063 58.956 0.107 19045 7108 1 10 . 1 1 29 29 GLN CB C 29 28.452 28.452 28.681 -0.229 19045 7109 1 10 . 1 1 29 29 GLN H H 29 7.900 7.900 7.896 0.004 19045 7110 1 10 . 1 1 30 30 ASP N N 30 121.907 121.907 118.831 3.076 19045 7111 1 10 . 1 1 30 30 ASP HA H 30 4.521 4.521 4.356 0.165 19045 7112 1 10 . 1 1 30 30 ASP CA C 30 57.038 57.038 57.015 0.023 19045 7113 1 10 . 1 1 30 30 ASP CB C 30 41.939 41.939 40.244 1.695 19045 7114 1 10 . 1 1 30 30 ASP H H 30 8.888 8.888 8.364 0.524 19045 7115 1 10 . 1 1 31 31 THR N N 31 114.861 114.861 116.664 -1.803 19045 7116 1 10 . 1 1 31 31 THR HA H 31 3.493 3.493 3.259 0.234 19045 7117 1 10 . 1 1 31 31 THR CA C 31 66.946 66.946 66.993 -0.047 19045 7118 1 10 . 1 1 31 31 THR CB C 31 68.523 68.523 68.772 -0.249 19045 7119 1 10 . 1 1 31 31 THR H H 31 8.069 8.069 8.183 -0.114 19045 7120 1 10 . 1 1 32 32 GLU N N 32 120.848 120.848 120.539 0.309 19045 7121 1 10 . 1 1 32 32 GLU HA H 32 3.597 3.597 3.804 -0.207 19045 7122 1 10 . 1 1 32 32 GLU CA C 32 60.899 60.899 59.544 1.355 19045 7123 1 10 . 1 1 32 32 GLU CB C 32 28.963 28.963 28.654 0.309 19045 7124 1 10 . 1 1 32 32 GLU H H 32 7.578 7.578 7.995 -0.417 19045 7125 1 10 . 1 1 33 33 GLU N N 33 117.741 117.741 120.039 -2.298 19045 7126 1 10 . 1 1 33 33 GLU HA H 33 3.938 3.938 4.068 -0.130 19045 7127 1 10 . 1 1 33 33 GLU CA C 33 58.768 58.768 58.739 0.030 19045 7128 1 10 . 1 1 33 33 GLU CB C 33 29.708 29.708 29.356 0.352 19045 7129 1 10 . 1 1 33 33 GLU H H 33 7.446 7.446 7.868 -0.422 19045 7130 1 10 . 1 1 34 34 VAL N N 34 120.239 120.239 119.657 0.582 19045 7131 1 10 . 1 1 34 34 VAL HA H 34 3.108 3.108 3.695 -0.587 19045 7132 1 10 . 1 1 34 34 VAL CA C 34 66.979 66.979 66.394 0.585 19045 7133 1 10 . 1 1 34 34 VAL CB C 34 31.884 31.884 30.903 0.981 19045 7134 1 10 . 1 1 34 34 VAL H H 34 7.792 7.792 8.158 -0.366 19045 7135 1 10 . 1 1 35 35 PHE N N 35 117.559 117.559 121.248 -3.689 19045 7136 1 10 . 1 1 35 35 PHE HA H 35 4.209 4.209 4.075 0.134 19045 7137 1 10 . 1 1 35 35 PHE CA C 35 61.592 61.592 62.335 -0.743 19045 7138 1 10 . 1 1 35 35 PHE CB C 35 39.066 39.066 38.965 0.102 19045 7139 1 10 . 1 1 35 35 PHE H H 35 8.895 8.895 8.512 0.383 19045 7140 1 10 . 1 1 36 36 ARG N N 36 116.705 116.705 119.268 -2.563 19045 7141 1 10 . 1 1 36 36 ARG HA H 36 3.555 3.555 3.863 -0.308 19045 7142 1 10 . 1 1 36 36 ARG CA C 36 59.906 59.906 59.746 0.160 19045 7143 1 10 . 1 1 36 36 ARG CB C 36 29.654 29.654 30.029 -0.375 19045 7144 1 10 . 1 1 36 36 ARG H H 36 8.182 8.182 8.189 -0.007 19045 7145 1 10 . 1 1 37 37 SER N N 37 112.628 112.628 116.199 -3.571 19045 7146 1 10 . 1 1 37 37 SER HA H 37 4.122 4.122 4.218 -0.096 19045 7147 1 10 . 1 1 37 37 SER CA C 37 61.258 61.258 61.684 -0.426 19045 7148 1 10 . 1 1 37 37 SER CB C 37 63.089 63.089 62.864 0.225 19045 7149 1 10 . 1 1 37 37 SER H H 37 7.845 7.845 8.109 -0.264 19045 7150 1 10 . 1 1 38 38 TYR N N 38 122.458 122.458 124.021 -1.563 19045 7151 1 10 . 1 1 38 38 TYR HA H 38 3.927 3.927 4.415 -0.488 19045 7152 1 10 . 1 1 38 38 TYR CA C 38 62.006 62.006 61.813 0.193 19045 7153 1 10 . 1 1 38 38 TYR CB C 38 38.892 38.892 38.312 0.580 19045 7154 1 10 . 1 1 38 38 TYR H H 38 8.793 8.793 8.320 0.473 19045 7155 1 10 . 1 1 39 39 VAL N N 39 115.951 115.951 117.012 -1.061 19045 7156 1 10 . 1 1 39 39 VAL HA H 39 3.209 3.209 3.195 0.014 19045 7157 1 10 . 1 1 39 39 VAL CA C 39 65.982 65.982 64.959 1.023 19045 7158 1 10 . 1 1 39 39 VAL CB C 39 30.884 30.884 30.254 0.630 19045 7159 1 10 . 1 1 39 39 VAL H H 39 8.348 8.348 7.986 0.362 19045 7160 1 10 . 1 1 40 40 PHE N N 40 119.608 119.608 121.838 -2.230 19045 7161 1 10 . 1 1 40 40 PHE HA H 40 3.915 3.915 3.956 -0.041 19045 7162 1 10 . 1 1 40 40 PHE CA C 40 61.651 61.651 61.468 0.183 19045 7163 1 10 . 1 1 40 40 PHE CB C 40 39.411 39.411 38.874 0.537 19045 7164 1 10 . 1 1 40 40 PHE H H 40 7.596 7.596 7.722 -0.126 19045 7165 1 10 . 1 1 41 41 TYR N N 41 117.686 117.686 119.306 -1.620 19045 7166 1 10 . 1 1 41 41 TYR HA H 41 3.818 3.818 3.792 0.026 19045 7167 1 10 . 1 1 41 41 TYR CA C 41 63.446 63.446 60.782 2.664 19045 7168 1 10 . 1 1 41 41 TYR CB C 41 37.528 37.528 38.058 -0.530 19045 7169 1 10 . 1 1 41 41 TYR H H 41 8.578 8.578 8.242 0.337 19045 7170 1 10 . 1 1 42 42 ARG N N 42 121.382 121.382 120.081 1.301 19045 7171 1 10 . 1 1 42 42 ARG HA H 42 3.581 3.581 3.809 -0.228 19045 7172 1 10 . 1 1 42 42 ARG CA C 42 57.999 57.999 59.387 -1.388 19045 7173 1 10 . 1 1 42 42 ARG CB C 42 26.992 26.992 29.828 -2.836 19045 7174 1 10 . 1 1 42 42 ARG H H 42 8.784 8.784 8.129 0.655 19045 7175 1 10 . 1 1 43 43 HIS N N 43 118.684 118.684 118.473 0.211 19045 7176 1 10 . 1 1 43 43 HIS HA H 43 4.291 4.291 4.415 -0.124 19045 7177 1 10 . 1 1 43 43 HIS CA C 43 60.041 60.041 59.142 0.900 19045 7178 1 10 . 1 1 43 43 HIS CB C 43 27.938 27.938 30.020 -2.083 19045 7179 1 10 . 1 1 43 43 HIS H H 43 8.268 8.268 7.908 0.360 19045 7180 1 10 . 1 1 44 44 GLN N N 44 117.841 117.841 118.661 -0.820 19045 7181 1 10 . 1 1 44 44 GLN HA H 44 3.638 3.638 3.774 -0.136 19045 7182 1 10 . 1 1 44 44 GLN CA C 44 58.681 58.681 58.964 -0.283 19045 7183 1 10 . 1 1 44 44 GLN CB C 44 28.977 28.977 28.056 0.921 19045 7184 1 10 . 1 1 44 44 GLN H H 44 7.722 7.722 7.714 0.008 19045 7185 1 10 . 1 1 45 45 GLN N N 45 117.756 117.756 117.197 0.559 19045 7186 1 10 . 1 1 45 45 GLN HA H 45 3.932 3.932 4.129 -0.197 19045 7187 1 10 . 1 1 45 45 GLN CA C 45 57.923 57.923 58.379 -0.456 19045 7188 1 10 . 1 1 45 45 GLN CB C 45 28.039 28.039 28.675 -0.637 19045 7189 1 10 . 1 1 45 45 GLN H H 45 7.808 7.808 7.524 0.284 19045 7190 1 10 . 1 1 46 46 GLU N N 46 119.876 119.876 120.720 -0.844 19045 7191 1 10 . 1 1 46 46 GLU HA H 46 3.951 3.951 3.892 0.059 19045 7192 1 10 . 1 1 46 46 GLU CA C 46 58.956 58.956 59.439 -0.483 19045 7193 1 10 . 1 1 46 46 GLU CB C 46 29.166 29.166 28.722 0.444 19045 7194 1 10 . 1 1 46 46 GLU H H 46 7.781 7.781 7.512 0.269 19045 7195 1 10 . 1 1 47 47 GLN N N 47 118.282 118.282 116.616 1.666 19045 7196 1 10 . 1 1 47 47 GLN HA H 47 3.800 3.800 4.168 -0.368 19045 7197 1 10 . 1 1 47 47 GLN CA C 47 57.892 57.892 57.545 0.347 19045 7198 1 10 . 1 1 47 47 GLN CB C 47 28.662 28.662 28.028 0.634 19045 7199 1 10 . 1 1 47 47 GLN H H 47 7.775 7.775 7.535 0.240 19045 7200 1 10 . 1 1 48 48 GLU N N 48 118.519 118.519 118.328 0.191 19045 7201 1 10 . 1 1 48 48 GLU HA H 48 4.009 4.009 4.078 -0.069 19045 7202 1 10 . 1 1 48 48 GLU CA C 48 57.586 57.586 58.461 -0.875 19045 7203 1 10 . 1 1 48 48 GLU CB C 48 28.922 28.922 29.672 -0.750 19045 7204 1 10 . 1 1 48 48 GLU H H 48 7.721 7.721 7.753 -0.032 19045 7205 1 10 . 1 1 49 49 ALA N N 49 121.657 121.657 121.489 0.168 19045 7206 1 10 . 1 1 49 49 ALA HA H 49 4.140 4.140 4.132 0.008 19045 7207 1 10 . 1 1 49 49 ALA CA C 49 53.389 53.389 53.842 -0.453 19045 7208 1 10 . 1 1 49 49 ALA CB C 49 19.111 19.111 19.354 -0.243 19045 7209 1 10 . 1 1 49 49 ALA H H 49 7.675 7.675 7.969 -0.294 19045 7210 1 10 . 1 1 50 50 GLU N N 50 116.803 116.803 113.595 3.208 19045 7211 1 10 . 1 1 50 50 GLU HA H 50 4.182 4.182 4.558 -0.376 19045 7212 1 10 . 1 1 50 50 GLU CA C 50 56.420 56.420 54.561 1.859 19045 7213 1 10 . 1 1 50 50 GLU CB C 50 29.798 29.798 32.018 -2.220 19045 7214 1 10 . 1 1 50 50 GLU H H 50 8.106 8.106 8.015 0.091 19045 7215 1 10 . 1 1 51 51 GLY N N 51 109.812 109.812 107.468 2.344 19045 7216 1 10 . 1 1 51 51 GLY CA C 51 45.739 45.739 45.046 0.693 19045 7217 1 10 . 1 1 51 51 GLY H H 51 8.060 8.060 8.525 -0.465 19045 7218 1 10 . 1 1 52 52 VAL N N 52 118.668 118.668 116.938 1.730 19045 7219 1 10 . 1 1 52 52 VAL HA H 52 4.001 4.001 4.427 -0.426 19045 7220 1 10 . 1 1 52 52 VAL CA C 52 62.175 62.175 60.481 1.694 19045 7221 1 10 . 1 1 52 52 VAL CB C 52 32.294 32.294 33.558 -1.264 19045 7222 1 10 . 1 1 52 52 VAL H H 52 7.718 7.718 7.494 0.224 19045 7223 1 10 . 1 1 53 53 ALA N N 53 125.624 125.624 122.991 2.633 19045 7224 1 10 . 1 1 53 53 ALA HA H 53 4.220 4.220 4.218 0.002 19045 7225 1 10 . 1 1 53 53 ALA CA C 53 51.869 51.869 52.705 -0.836 19045 7226 1 10 . 1 1 53 53 ALA CB C 53 19.065 19.065 17.841 1.224 19045 7227 1 10 . 1 1 53 53 ALA H H 53 8.073 8.073 8.712 -0.639 19045 7228 1 10 . 1 1 54 54 ALA N N 54 123.638 123.638 121.960 1.678 19045 7229 1 10 . 1 1 54 54 ALA HA H 54 4.472 4.472 5.278 -0.806 19045 7230 1 10 . 1 1 54 54 ALA CA C 54 49.869 49.869 49.914 -0.046 19045 7231 1 10 . 1 1 54 54 ALA CB C 54 18.488 18.488 19.727 -1.239 19045 7232 1 10 . 1 1 54 54 ALA H H 54 7.718 7.718 7.884 -0.166 19045 7233 1 10 . 1 1 55 55 PRO HA H 55 4.292 4.292 4.597 -0.305 19045 7234 1 10 . 1 1 55 55 PRO CA C 55 62.966 62.966 62.351 0.615 19045 7235 1 10 . 1 1 55 55 PRO CB C 55 31.754 31.754 32.291 -0.537 19045 7236 1 10 . 1 1 56 56 ALA N N 56 124.218 124.218 122.268 1.950 19045 7237 1 10 . 1 1 56 56 ALA HA H 56 4.220 4.220 4.262 -0.042 19045 7238 1 10 . 1 1 56 56 ALA CB C 56 19.119 19.119 19.458 -0.339 19045 7239 1 10 . 1 1 56 56 ALA H H 56 8.259 8.259 8.146 0.113 19045 7240 1 10 . 1 1 57 57 ASP N N 57 120.884 120.884 121.490 -0.606 19045 7241 1 10 . 1 1 57 57 ASP HA H 57 4.572 4.572 4.589 -0.017 19045 7242 1 10 . 1 1 57 57 ASP CA C 57 52.742 52.742 54.412 -1.670 19045 7243 1 10 . 1 1 57 57 ASP CB C 57 41.642 41.642 41.374 0.268 19045 7244 1 10 . 1 1 57 57 ASP H H 57 7.829 7.829 8.434 -0.605 19045 7245 1 10 . 1 1 58 58 PRO HA H 58 4.052 4.052 4.357 -0.305 19045 7246 1 10 . 1 1 58 58 PRO CA C 58 64.128 64.128 63.225 0.903 19045 7247 1 10 . 1 1 58 58 PRO CB C 58 31.989 31.989 30.991 0.997 19045 7248 1 10 . 1 1 59 59 GLU HA H 59 4.549 4.549 4.350 0.199 19045 7249 1 10 . 1 1 59 59 GLU CA C 59 54.266 54.266 55.491 -1.225 19045 7250 1 10 . 1 1 59 59 GLU CB C 59 29.285 29.285 30.759 -1.474 19045 7251 1 10 . 1 1 60 60 MET HA H 60 3.846 3.846 4.220 -0.373 19045 7252 1 10 . 1 1 60 60 MET CA C 60 57.219 57.219 58.214 -0.995 19045 7253 1 10 . 1 1 60 60 MET CB C 60 31.894 31.894 32.220 -0.326 19045 7254 1 10 . 1 1 60 60 MET H H 60 7.070 7.070 8.589 -1.519 19045 7255 1 10 . 1 1 61 61 VAL N N 61 113.014 113.014 117.571 -4.557 19045 7256 1 10 . 1 1 61 61 VAL HA H 61 4.051 4.051 3.918 0.133 19045 7257 1 10 . 1 1 61 61 VAL CA C 61 62.799 62.799 62.429 0.370 19045 7258 1 10 . 1 1 61 61 VAL CB C 61 31.993 31.993 31.294 0.699 19045 7259 1 10 . 1 1 61 61 VAL H H 61 6.833 6.833 8.185 -1.352 19045 7260 1 10 . 1 1 62 62 THR N N 62 110.188 110.188 109.796 0.392 19045 7261 1 10 . 1 1 62 62 THR HA H 62 4.230 4.230 3.834 0.396 19045 7262 1 10 . 1 1 62 62 THR CA C 62 60.947 60.947 62.441 -1.494 19045 7263 1 10 . 1 1 62 62 THR CB C 62 69.192 69.192 68.648 0.544 19045 7264 1 10 . 1 1 62 62 THR H H 62 7.101 7.101 7.800 -0.699 19045 7265 1 10 . 1 1 63 63 LEU N N 63 125.158 125.158 122.601 2.557 19045 7266 1 10 . 1 1 63 63 LEU HA H 63 4.205 4.205 4.354 -0.149 19045 7267 1 10 . 1 1 63 63 LEU CA C 63 52.688 52.688 53.350 -0.662 19045 7268 1 10 . 1 1 63 63 LEU CB C 63 42.252 42.252 42.678 -0.426 19045 7269 1 10 . 1 1 63 63 LEU H H 63 7.079 7.079 8.107 -1.028 19045 7270 1 10 . 1 1 64 64 PRO HA H 64 4.282 4.282 4.324 -0.042 19045 7271 1 10 . 1 1 64 64 PRO CA C 64 62.613 62.613 62.591 0.022 19045 7272 1 10 . 1 1 64 64 PRO CB C 64 30.705 30.705 30.279 0.426 19045 7273 1 10 . 1 1 65 65 LEU N N 65 122.384 122.384 123.901 -1.517 19045 7274 1 10 . 1 1 65 65 LEU HA H 65 4.234 4.234 4.311 -0.077 19045 7275 1 10 . 1 1 65 65 LEU CA C 65 54.499 54.499 54.569 -0.070 19045 7276 1 10 . 1 1 65 65 LEU CB C 65 43.438 43.438 43.468 -0.030 19045 7277 1 10 . 1 1 65 65 LEU H H 65 7.653 7.653 7.615 0.038 19045 7278 1 10 . 1 1 66 66 GLN N N 66 121.802 121.802 124.655 -2.853 19045 7279 1 10 . 1 1 66 66 GLN HA H 66 4.209 4.209 4.782 -0.573 19045 7280 1 10 . 1 1 66 66 GLN CA C 66 52.783 52.783 52.659 0.124 19045 7281 1 10 . 1 1 66 66 GLN CB C 66 28.136 28.136 28.922 -0.786 19045 7282 1 10 . 1 1 66 66 GLN H H 66 8.634 8.634 8.822 -0.188 19045 7283 1 10 . 1 1 67 67 PRO HA H 67 4.139 4.139 4.485 -0.346 19045 7284 1 10 . 1 1 67 67 PRO CA C 67 64.488 64.488 63.784 0.704 19045 7285 1 10 . 1 1 67 67 PRO CB C 67 32.003 32.003 31.733 0.270 19045 7286 1 10 . 1 1 68 68 SER N N 68 111.024 111.024 113.858 -2.834 19045 7287 1 10 . 1 1 68 68 SER HA H 68 4.313 4.313 4.622 -0.309 19045 7288 1 10 . 1 1 68 68 SER CA C 68 57.991 57.991 58.464 -0.473 19045 7289 1 10 . 1 1 68 68 SER CB C 68 63.252 63.252 63.182 0.070 19045 7290 1 10 . 1 1 68 68 SER H H 68 8.119 8.119 8.357 -0.237 19045 7291 1 10 . 1 1 69 69 SER N N 69 117.598 117.598 115.572 2.026 19045 7292 1 10 . 1 1 69 69 SER HA H 69 4.440 4.440 4.835 -0.395 19045 7293 1 10 . 1 1 69 69 SER CA C 69 57.518 57.518 57.441 0.077 19045 7294 1 10 . 1 1 69 69 SER CB C 69 64.587 64.587 64.734 -0.147 19045 7295 1 10 . 1 1 69 69 SER H H 69 7.723 7.723 7.535 0.188 19045 7296 1 10 . 1 1 70 70 THR N N 70 121.887 121.887 117.803 4.084 19045 7297 1 10 . 1 1 70 70 THR HA H 70 3.873 3.873 4.130 -0.257 19045 7298 1 10 . 1 1 70 70 THR CA C 70 66.723 66.723 66.131 0.592 19045 7299 1 10 . 1 1 70 70 THR CB C 70 68.385 68.385 68.924 -0.539 19045 7300 1 10 . 1 1 70 70 THR H H 70 8.827 8.827 8.678 0.149 19045 7301 1 10 . 1 1 71 71 MET N N 71 117.344 117.344 119.958 -2.614 19045 7302 1 10 . 1 1 71 71 MET HA H 71 4.469 4.469 4.177 0.292 19045 7303 1 10 . 1 1 71 71 MET CA C 71 56.260 56.260 60.019 -3.759 19045 7304 1 10 . 1 1 71 71 MET CB C 71 31.696 31.696 32.077 -0.381 19045 7305 1 10 . 1 1 71 71 MET H H 71 8.454 8.454 8.340 0.114 19045 7306 1 10 . 1 1 72 72 GLY N N 72 108.884 108.884 102.919 5.965 19045 7307 1 10 . 1 1 72 72 GLY CA C 72 46.884 46.884 46.651 0.233 19045 7308 1 10 . 1 1 72 72 GLY H H 72 7.979 7.979 8.237 -0.258 19045 7309 1 10 . 1 1 73 73 GLN N N 73 121.522 121.522 120.433 1.089 19045 7310 1 10 . 1 1 73 73 GLN HA H 73 3.857 3.857 4.372 -0.515 19045 7311 1 10 . 1 1 73 73 GLN CA C 73 58.220 58.220 57.883 0.337 19045 7312 1 10 . 1 1 73 73 GLN CB C 73 28.309 28.309 28.901 -0.592 19045 7313 1 10 . 1 1 73 73 GLN H H 73 7.859 7.859 7.725 0.134 19045 7314 1 10 . 1 1 74 74 VAL N N 74 121.291 121.291 120.529 0.762 19045 7315 1 10 . 1 1 74 74 VAL HA H 74 3.359 3.359 3.711 -0.352 19045 7316 1 10 . 1 1 74 74 VAL CA C 74 67.150 67.150 67.138 0.012 19045 7317 1 10 . 1 1 74 74 VAL CB C 74 31.249 31.249 31.534 -0.285 19045 7318 1 10 . 1 1 74 74 VAL H H 74 8.155 8.155 8.250 -0.095 19045 7319 1 10 . 1 1 75 75 GLY N N 75 105.037 105.037 106.185 -1.148 19045 7320 1 10 . 1 1 75 75 GLY CA C 75 48.385 48.385 47.441 0.944 19045 7321 1 10 . 1 1 75 75 GLY H H 75 8.154 8.154 8.073 0.081 19045 7322 1 10 . 1 1 76 76 ARG N N 76 119.292 119.292 120.646 -1.354 19045 7323 1 10 . 1 1 76 76 ARG HA H 76 3.320 3.320 3.537 -0.217 19045 7324 1 10 . 1 1 76 76 ARG CA C 76 59.540 59.540 59.771 -0.231 19045 7325 1 10 . 1 1 76 76 ARG CB C 76 30.130 30.130 29.684 0.446 19045 7326 1 10 . 1 1 76 76 ARG H H 76 7.512 7.512 7.823 -0.311 19045 7327 1 10 . 1 1 77 77 GLN N N 77 118.008 118.008 118.305 -0.297 19045 7328 1 10 . 1 1 77 77 GLN HA H 77 3.951 3.951 4.083 -0.132 19045 7329 1 10 . 1 1 77 77 GLN CA C 77 58.337 58.337 58.514 -0.177 19045 7330 1 10 . 1 1 77 77 GLN CB C 77 27.512 27.512 27.678 -0.166 19045 7331 1 10 . 1 1 77 77 GLN H H 77 7.852 7.852 7.876 -0.024 19045 7332 1 10 . 1 1 78 78 LEU N N 78 116.018 116.018 119.814 -3.796 19045 7333 1 10 . 1 1 78 78 LEU HA H 78 4.078 4.078 3.969 0.109 19045 7334 1 10 . 1 1 78 78 LEU CA C 78 57.391 57.391 57.926 -0.535 19045 7335 1 10 . 1 1 78 78 LEU CB C 78 40.999 40.999 41.651 -0.652 19045 7336 1 10 . 1 1 78 78 LEU H H 78 8.412 8.412 8.324 0.088 19045 7337 1 10 . 1 1 79 79 ALA N N 79 120.914 120.914 120.229 0.685 19045 7338 1 10 . 1 1 79 79 ALA HA H 79 3.896 3.896 4.053 -0.157 19045 7339 1 10 . 1 1 79 79 ALA CA C 79 54.789 54.789 54.653 0.136 19045 7340 1 10 . 1 1 79 79 ALA CB C 79 17.880 17.880 18.435 -0.555 19045 7341 1 10 . 1 1 79 79 ALA H H 79 7.789 7.789 8.251 -0.462 19045 7342 1 10 . 1 1 80 80 ILE N N 80 117.984 117.984 117.659 0.325 19045 7343 1 10 . 1 1 80 80 ILE HA H 80 3.895 3.895 3.804 0.091 19045 7344 1 10 . 1 1 80 80 ILE CA C 80 63.576 63.576 64.411 -0.835 19045 7345 1 10 . 1 1 80 80 ILE CB C 80 38.607 38.607 38.823 -0.216 19045 7346 1 10 . 1 1 80 80 ILE H H 80 7.690 7.690 7.422 0.268 19045 7347 1 10 . 1 1 81 81 ILE HA H 81 3.984 3.984 3.920 0.064 19045 7348 1 10 . 1 1 81 81 ILE CA C 81 63.608 63.608 63.894 -0.286 19045 7349 1 10 . 1 1 81 81 ILE CB C 81 37.587 37.587 37.590 -0.003 19045 7350 1 10 . 1 1 81 81 ILE H H 81 7.910 7.910 7.920 -0.010 19045 7351 1 10 . 1 1 82 82 GLY CA C 82 45.566 45.566 44.998 0.568 19045 7352 1 10 . 1 1 82 82 GLY H H 82 7.765 7.765 8.410 -0.645 19045 7353 1 10 . 1 1 83 83 ASP N N 83 119.914 119.914 123.242 -3.328 19045 7354 1 10 . 1 1 83 83 ASP HA H 83 4.332 4.332 4.410 -0.078 19045 7355 1 10 . 1 1 83 83 ASP CA C 83 58.161 58.161 57.980 0.181 19045 7356 1 10 . 1 1 83 83 ASP CB C 83 41.771 41.771 40.965 0.805 19045 7357 1 10 . 1 1 83 83 ASP H H 83 7.400 7.400 7.680 -0.280 19045 7358 1 10 . 1 1 84 84 ASP N N 84 116.566 116.566 119.042 -2.476 19045 7359 1 10 . 1 1 84 84 ASP HA H 84 4.200 4.200 4.413 -0.213 19045 7360 1 10 . 1 1 84 84 ASP CA C 84 57.270 57.270 57.233 0.037 19045 7361 1 10 . 1 1 84 84 ASP CB C 84 40.593 40.593 40.281 0.312 19045 7362 1 10 . 1 1 84 84 ASP H H 84 8.523 8.523 7.947 0.576 19045 7363 1 10 . 1 1 85 85 ILE N N 85 120.454 120.454 119.366 1.088 19045 7364 1 10 . 1 1 85 85 ILE HA H 85 3.753 3.753 3.832 -0.079 19045 7365 1 10 . 1 1 85 85 ILE CA C 85 63.782 63.782 64.578 -0.795 19045 7366 1 10 . 1 1 85 85 ILE CB C 85 37.546 37.546 37.224 0.322 19045 7367 1 10 . 1 1 85 85 ILE H H 85 7.707 7.707 7.997 -0.290 19045 7368 1 10 . 1 1 86 86 ASN N N 86 118.583 118.583 119.889 -1.306 19045 7369 1 10 . 1 1 86 86 ASN HA H 86 4.472 4.472 4.463 0.009 19045 7370 1 10 . 1 1 86 86 ASN CA C 86 56.087 56.087 56.360 -0.273 19045 7371 1 10 . 1 1 86 86 ASN CB C 86 37.614 37.614 38.454 -0.840 19045 7372 1 10 . 1 1 86 86 ASN H H 86 8.440 8.440 8.307 0.133 19045 7373 1 10 . 1 1 87 87 ARG N N 87 117.819 117.819 117.791 0.028 19045 7374 1 10 . 1 1 87 87 ARG HA H 87 4.043 4.043 4.033 0.010 19045 7375 1 10 . 1 1 87 87 ARG CA C 87 59.035 59.035 58.718 0.317 19045 7376 1 10 . 1 1 87 87 ARG CB C 87 29.845 29.845 29.952 -0.107 19045 7377 1 10 . 1 1 87 87 ARG H H 87 8.214 8.214 7.850 0.364 19045 7378 1 10 . 1 1 88 88 ARG N N 88 117.971 117.971 120.198 -2.227 19045 7379 1 10 . 1 1 88 88 ARG HA H 88 3.965 3.965 4.010 -0.045 19045 7380 1 10 . 1 1 88 88 ARG CA C 88 58.161 58.161 59.186 -1.025 19045 7381 1 10 . 1 1 88 88 ARG CB C 88 30.376 30.376 30.546 -0.170 19045 7382 1 10 . 1 1 88 88 ARG H H 88 7.438 7.438 8.267 -0.829 19045 7383 1 10 . 1 1 89 89 TYR N N 89 114.591 114.591 112.890 1.701 19045 7384 1 10 . 1 1 89 89 TYR HA H 89 4.753 4.753 4.961 -0.208 19045 7385 1 10 . 1 1 89 89 TYR CA C 89 59.481 59.481 57.124 2.357 19045 7386 1 10 . 1 1 89 89 TYR CB C 89 39.610 39.610 37.314 2.296 19045 7387 1 10 . 1 1 89 89 TYR H H 89 7.635 7.635 8.316 -0.681 19045 7388 1 10 . 1 1 90 90 ASP HA H 90 4.820 4.820 4.611 0.209 19045 7389 1 10 . 1 1 90 90 ASP CA C 90 58.200 58.200 57.041 1.159 19045 7390 1 10 . 1 1 90 90 ASP CB C 90 41.407 41.407 41.130 0.278 19045 7391 1 10 . 1 1 90 90 ASP H H 90 8.282 8.282 7.523 0.759 19045 7392 1 10 . 1 1 91 91 SER N N 91 115.266 115.266 115.420 -0.154 19045 7393 1 10 . 1 1 91 91 SER HA H 91 4.170 4.170 4.155 0.015 19045 7394 1 10 . 1 1 91 91 SER CA C 91 61.780 61.780 62.078 -0.298 19045 7395 1 10 . 1 1 91 91 SER CB C 91 61.891 61.891 63.248 -1.357 19045 7396 1 10 . 1 1 91 91 SER H H 91 8.717 8.717 8.017 0.700 19045 7397 1 10 . 1 1 92 92 GLU N N 92 122.093 122.093 118.946 3.147 19045 7398 1 10 . 1 1 92 92 GLU HA H 92 4.056 4.056 4.199 -0.143 19045 7399 1 10 . 1 1 92 92 GLU CA C 92 58.928 58.928 58.296 0.632 19045 7400 1 10 . 1 1 92 92 GLU CB C 92 29.796 29.796 29.091 0.705 19045 7401 1 10 . 1 1 92 92 GLU H H 92 8.025 8.025 8.696 -0.671 19045 7402 1 10 . 1 1 93 93 PHE HA H 93 4.171 4.171 4.466 -0.295 19045 7403 1 10 . 1 1 93 93 PHE CA C 93 60.704 60.704 60.290 0.414 19045 7404 1 10 . 1 1 93 93 PHE CB C 93 38.780 38.780 40.192 -1.412 19045 7405 1 10 . 1 1 93 93 PHE H H 93 7.801 7.801 7.881 -0.080 19045 7406 1 10 . 1 1 94 94 GLN N N 94 118.578 118.578 119.040 -0.462 19045 7407 1 10 . 1 1 94 94 GLN HA H 94 3.847 3.847 4.004 -0.157 19045 7408 1 10 . 1 1 94 94 GLN CA C 94 59.981 59.981 58.780 1.201 19045 7409 1 10 . 1 1 94 94 GLN CB C 94 28.415 28.415 28.407 0.008 19045 7410 1 10 . 1 1 94 94 GLN H H 94 8.609 8.609 8.982 -0.373 19045 7411 1 10 . 1 1 95 95 THR N N 95 116.128 116.128 116.827 -0.699 19045 7412 1 10 . 1 1 95 95 THR HA H 95 3.811 3.811 3.896 -0.085 19045 7413 1 10 . 1 1 95 95 THR CA C 95 66.391 66.391 66.085 0.306 19045 7414 1 10 . 1 1 95 95 THR CB C 95 68.361 68.361 68.800 -0.439 19045 7415 1 10 . 1 1 95 95 THR H H 95 7.826 7.826 7.610 0.216 19045 7416 1 10 . 1 1 96 96 MET N N 96 120.474 120.474 117.449 3.025 19045 7417 1 10 . 1 1 96 96 MET HA H 96 3.933 3.933 3.745 0.188 19045 7418 1 10 . 1 1 96 96 MET CA C 96 59.949 59.949 57.863 2.086 19045 7419 1 10 . 1 1 96 96 MET CB C 96 33.087 33.087 32.080 1.008 19045 7420 1 10 . 1 1 96 96 MET H H 96 7.728 7.728 7.240 0.488 19045 7421 1 10 . 1 1 97 97 LEU N N 97 118.904 118.904 121.521 -2.617 19045 7422 1 10 . 1 1 97 97 LEU HA H 97 3.604 3.604 3.624 -0.020 19045 7423 1 10 . 1 1 97 97 LEU CA C 97 57.771 57.771 57.626 0.145 19045 7424 1 10 . 1 1 97 97 LEU CB C 97 40.836 40.836 39.822 1.014 19045 7425 1 10 . 1 1 97 97 LEU H H 97 8.112 8.112 7.832 0.280 19045 7426 1 10 . 1 1 98 98 GLN N N 98 116.798 116.798 116.142 0.656 19045 7427 1 10 . 1 1 98 98 GLN HA H 98 4.003 4.003 4.235 -0.232 19045 7428 1 10 . 1 1 98 98 GLN CA C 98 58.337 58.337 57.814 0.523 19045 7429 1 10 . 1 1 98 98 GLN CB C 98 27.659 27.659 28.502 -0.843 19045 7430 1 10 . 1 1 98 98 GLN H H 98 7.754 7.754 7.944 -0.190 19045 7431 1 10 . 1 1 99 99 HIS N N 99 115.943 115.943 116.626 -0.683 19045 7432 1 10 . 1 1 99 99 HIS HA H 99 4.442 4.442 4.357 0.085 19045 7433 1 10 . 1 1 99 99 HIS CA C 99 57.025 57.025 57.141 -0.115 19045 7434 1 10 . 1 1 99 99 HIS CB C 99 28.848 28.848 30.242 -1.394 19045 7435 1 10 . 1 1 99 99 HIS H H 99 7.504 7.504 7.827 -0.323 19045 7436 1 10 . 1 1 100 100 LEU N N 100 121.347 121.347 120.451 0.896 19045 7437 1 10 . 1 1 100 100 LEU HA H 100 3.803 3.803 3.956 -0.153 19045 7438 1 10 . 1 1 100 100 LEU CA C 100 56.801 56.801 56.928 -0.127 19045 7439 1 10 . 1 1 100 100 LEU CB C 100 42.563 42.563 42.527 0.036 19045 7440 1 10 . 1 1 100 100 LEU H H 100 8.013 8.013 7.616 0.397 19045 7441 1 10 . 1 1 101 101 GLN N N 101 110.029 110.029 114.256 -4.227 19045 7442 1 10 . 1 1 101 101 GLN HA H 101 4.003 4.003 4.113 -0.110 19045 7443 1 10 . 1 1 101 101 GLN CA C 101 55.685 55.685 55.671 0.014 19045 7444 1 10 . 1 1 101 101 GLN CB C 101 27.301 27.301 26.215 1.086 19045 7445 1 10 . 1 1 101 101 GLN H H 101 7.763 7.763 7.866 -0.103 19045 7446 1 10 . 1 1 102 102 PRO HA H 102 4.926 4.926 4.492 0.434 19045 7447 1 10 . 1 1 102 102 PRO CA C 102 62.372 62.372 63.122 -0.750 19045 7448 1 10 . 1 1 102 102 PRO CB C 102 31.963 31.963 32.631 -0.668 19045 7449 1 10 . 1 1 103 103 THR N N 103 114.119 114.119 108.174 5.945 19045 7450 1 10 . 1 1 103 103 THR HA H 103 4.420 4.420 4.644 -0.224 19045 7451 1 10 . 1 1 103 103 THR CA C 103 58.716 58.716 59.898 -1.182 19045 7452 1 10 . 1 1 103 103 THR CB C 103 72.929 72.929 71.841 1.088 19045 7453 1 10 . 1 1 103 103 THR H H 103 9.386 9.386 8.722 0.664 19045 7454 1 10 . 1 1 104 104 ALA N N 104 120.374 120.374 121.403 -1.029 19045 7455 1 10 . 1 1 104 104 ALA HA H 104 3.737 3.737 4.584 -0.847 19045 7456 1 10 . 1 1 104 104 ALA CA C 104 54.782 54.782 54.063 0.719 19045 7457 1 10 . 1 1 104 104 ALA CB C 104 18.050 18.050 18.621 -0.571 19045 7458 1 10 . 1 1 104 104 ALA H H 104 8.723 8.723 8.585 0.138 19045 7459 1 10 . 1 1 105 105 GLU N N 105 113.834 113.834 115.418 -1.584 19045 7460 1 10 . 1 1 105 105 GLU HA H 105 4.122 4.122 4.219 -0.097 19045 7461 1 10 . 1 1 105 105 GLU CA C 105 58.707 58.707 58.378 0.329 19045 7462 1 10 . 1 1 105 105 GLU CB C 105 29.445 29.445 29.807 -0.362 19045 7463 1 10 . 1 1 105 105 GLU H H 105 7.969 7.969 8.560 -0.591 19045 7464 1 10 . 1 1 106 106 ASN N N 106 114.135 114.135 115.428 -1.293 19045 7465 1 10 . 1 1 106 106 ASN HA H 106 4.781 4.781 4.219 0.562 19045 7466 1 10 . 1 1 106 106 ASN CA C 106 52.222 52.222 51.473 0.749 19045 7467 1 10 . 1 1 106 106 ASN CB C 106 38.983 38.983 37.923 1.060 19045 7468 1 10 . 1 1 106 106 ASN H H 106 7.151 7.151 7.724 -0.573 19045 7469 1 10 . 1 1 107 107 ALA N N 107 121.280 121.280 124.096 -2.816 19045 7470 1 10 . 1 1 107 107 ALA HA H 107 3.858 3.858 4.057 -0.199 19045 7471 1 10 . 1 1 107 107 ALA CA C 107 56.988 56.988 55.720 1.268 19045 7472 1 10 . 1 1 107 107 ALA CB C 107 18.278 18.278 18.746 -0.468 19045 7473 1 10 . 1 1 107 107 ALA H H 107 7.940 7.940 7.337 0.603 19045 7474 1 10 . 1 1 108 108 TYR N N 108 117.339 117.339 115.481 1.858 19045 7475 1 10 . 1 1 108 108 TYR HA H 108 3.048 3.048 3.967 -0.919 19045 7476 1 10 . 1 1 108 108 TYR CA C 108 60.578 60.578 60.038 0.540 19045 7477 1 10 . 1 1 108 108 TYR CB C 108 36.804 36.804 36.368 0.436 19045 7478 1 10 . 1 1 108 108 TYR H H 108 8.783 8.783 7.535 1.248 19045 7479 1 10 . 1 1 109 109 GLU N N 109 123.316 123.316 120.983 2.333 19045 7480 1 10 . 1 1 109 109 GLU HA H 109 3.681 3.681 3.786 -0.105 19045 7481 1 10 . 1 1 109 109 GLU CA C 109 59.152 59.152 58.873 0.279 19045 7482 1 10 . 1 1 109 109 GLU CB C 109 28.782 28.782 28.470 0.312 19045 7483 1 10 . 1 1 109 109 GLU H H 109 8.084 8.084 7.297 0.787 19045 7484 1 10 . 1 1 110 110 TYR N N 110 117.254 117.254 118.342 -1.088 19045 7485 1 10 . 1 1 110 110 TYR HA H 110 4.339 4.339 4.285 0.054 19045 7486 1 10 . 1 1 110 110 TYR CA C 110 58.527 58.527 59.615 -1.088 19045 7487 1 10 . 1 1 110 110 TYR CB C 110 36.323 36.323 38.196 -1.873 19045 7488 1 10 . 1 1 110 110 TYR H H 110 8.282 8.282 7.571 0.711 19045 7489 1 10 . 1 1 111 111 PHE N N 111 119.028 119.028 120.942 -1.914 19045 7490 1 10 . 1 1 111 111 PHE HA H 111 3.889 3.889 4.200 -0.311 19045 7491 1 10 . 1 1 111 111 PHE CA C 111 62.350 62.350 61.500 0.850 19045 7492 1 10 . 1 1 111 111 PHE CB C 111 39.369 39.369 39.193 0.176 19045 7493 1 10 . 1 1 111 111 PHE H H 111 9.197 9.197 8.877 0.320 19045 7494 1 10 . 1 1 112 112 THR N N 112 113.669 113.669 112.962 0.707 19045 7495 1 10 . 1 1 112 112 THR HA H 112 3.411 3.411 3.201 0.210 19045 7496 1 10 . 1 1 112 112 THR CA C 112 67.185 67.185 66.241 0.944 19045 7497 1 10 . 1 1 112 112 THR CB C 112 68.294 68.294 67.796 0.498 19045 7498 1 10 . 1 1 112 112 THR H H 112 8.315 8.315 8.609 -0.294 19045 7499 1 10 . 1 1 113 113 LYS N N 113 124.090 124.090 122.130 1.960 19045 7500 1 10 . 1 1 113 113 LYS HA H 113 3.854 3.854 4.097 -0.243 19045 7501 1 10 . 1 1 113 113 LYS CA C 113 60.416 60.416 58.689 1.727 19045 7502 1 10 . 1 1 113 113 LYS CB C 113 33.219 33.219 32.098 1.121 19045 7503 1 10 . 1 1 113 113 LYS H H 113 8.335 8.335 7.427 0.908 19045 7504 1 10 . 1 1 114 114 ILE N N 114 120.457 120.457 119.637 0.820 19045 7505 1 10 . 1 1 114 114 ILE HA H 114 3.145 3.145 3.626 -0.481 19045 7506 1 10 . 1 1 114 114 ILE CA C 114 65.550 65.550 63.358 2.192 19045 7507 1 10 . 1 1 114 114 ILE CB C 114 37.402 37.402 36.190 1.212 19045 7508 1 10 . 1 1 114 114 ILE H H 114 8.042 8.042 7.753 0.289 19045 7509 1 10 . 1 1 115 115 ALA N N 115 121.066 121.066 122.721 -1.655 19045 7510 1 10 . 1 1 115 115 ALA HA H 115 3.219 3.219 3.919 -0.700 19045 7511 1 10 . 1 1 115 115 ALA CA C 115 54.940 54.940 55.323 -0.383 19045 7512 1 10 . 1 1 115 115 ALA CB C 115 16.345 16.345 17.617 -1.272 19045 7513 1 10 . 1 1 115 115 ALA H H 115 8.208 8.208 8.005 0.203 19045 7514 1 10 . 1 1 116 116 THR N N 116 112.803 112.803 115.185 -2.382 19045 7515 1 10 . 1 1 116 116 THR HA H 116 3.808 3.808 4.217 -0.409 19045 7516 1 10 . 1 1 116 116 THR CA C 116 67.557 67.557 66.333 1.224 19045 7517 1 10 . 1 1 116 116 THR CB C 116 68.431 68.431 68.896 -0.465 19045 7518 1 10 . 1 1 116 116 THR H H 116 7.893 7.893 7.814 0.079 19045 7519 1 10 . 1 1 117 117 SER N N 117 115.935 115.935 115.130 0.805 19045 7520 1 10 . 1 1 117 117 SER HA H 117 4.070 4.070 4.367 -0.297 19045 7521 1 10 . 1 1 117 117 SER CA C 117 61.879 61.879 61.540 0.339 19045 7522 1 10 . 1 1 117 117 SER CB C 117 62.907 62.907 63.286 -0.379 19045 7523 1 10 . 1 1 117 117 SER H H 117 7.139 7.139 7.739 -0.600 19045 7524 1 10 . 1 1 118 118 LEU N N 118 123.462 123.462 124.454 -0.992 19045 7525 1 10 . 1 1 118 118 LEU HA H 118 3.596 3.596 3.941 -0.345 19045 7526 1 10 . 1 1 118 118 LEU CA C 118 58.014 58.014 57.580 0.435 19045 7527 1 10 . 1 1 118 118 LEU CB C 118 41.687 41.687 42.067 -0.380 19045 7528 1 10 . 1 1 118 118 LEU H H 118 7.844 7.844 7.759 0.085 19045 7529 1 10 . 1 1 119 119 PHE N N 119 110.270 110.270 113.495 -3.225 19045 7530 1 10 . 1 1 119 119 PHE HA H 119 4.721 4.721 4.829 -0.108 19045 7531 1 10 . 1 1 119 119 PHE CA C 119 58.698 58.698 57.756 0.942 19045 7532 1 10 . 1 1 119 119 PHE CB C 119 38.838 38.838 37.976 0.862 19045 7533 1 10 . 1 1 119 119 PHE H H 119 6.878 6.878 8.414 -1.536 19045 7534 1 10 . 1 1 120 120 GLU N N 120 123.135 123.135 119.247 3.888 19045 7535 1 10 . 1 1 120 120 GLU HA H 120 4.016 4.016 4.216 -0.200 19045 7536 1 10 . 1 1 120 120 GLU CA C 120 59.532 59.532 58.669 0.863 19045 7537 1 10 . 1 1 120 120 GLU CB C 120 29.337 29.337 29.819 -0.482 19045 7538 1 10 . 1 1 120 120 GLU H H 120 7.551 7.551 7.521 0.030 19045 7539 1 10 . 1 1 121 121 SER N N 121 107.983 107.983 113.259 -5.276 19045 7540 1 10 . 1 1 121 121 SER HA H 121 4.522 4.522 4.460 0.062 19045 7541 1 10 . 1 1 121 121 SER CA C 121 57.342 57.342 58.898 -1.556 19045 7542 1 10 . 1 1 121 121 SER CB C 121 63.353 63.353 64.386 -1.033 19045 7543 1 10 . 1 1 121 121 SER H H 121 7.712 7.712 8.221 -0.509 19045 7544 1 10 . 1 1 122 122 GLY N N 122 110.748 110.748 107.184 3.564 19045 7545 1 10 . 1 1 122 122 GLY CA C 122 44.419 44.419 45.175 -0.756 19045 7546 1 10 . 1 1 122 122 GLY H H 122 7.317 7.317 7.735 -0.418 19045 7547 1 10 . 1 1 123 123 ILE N N 123 117.061 117.061 119.266 -2.205 19045 7548 1 10 . 1 1 123 123 ILE HA H 123 3.724 3.724 4.276 -0.552 19045 7549 1 10 . 1 1 123 123 ILE CA C 123 61.383 61.383 60.633 0.750 19045 7550 1 10 . 1 1 123 123 ILE CB C 123 40.588 40.588 40.185 0.403 19045 7551 1 10 . 1 1 123 123 ILE H H 123 7.963 7.963 8.184 -0.221 19045 7552 1 10 . 1 1 124 124 ASN N N 124 117.915 117.915 122.138 -4.223 19045 7553 1 10 . 1 1 124 124 ASN HA H 124 4.204 4.204 4.960 -0.756 19045 7554 1 10 . 1 1 124 124 ASN CA C 124 51.886 51.886 52.463 -0.577 19045 7555 1 10 . 1 1 124 124 ASN CB C 124 39.033 39.033 41.525 -2.492 19045 7556 1 10 . 1 1 124 124 ASN H H 124 6.434 6.434 7.911 -1.477 19045 7557 1 10 . 1 1 125 125 TRP N N 125 119.673 119.673 123.352 -3.679 19045 7558 1 10 . 1 1 125 125 TRP HA H 125 4.470 4.470 4.566 -0.096 19045 7559 1 10 . 1 1 125 125 TRP CA C 125 61.257 61.257 61.120 0.137 19045 7560 1 10 . 1 1 125 125 TRP CB C 125 30.287 30.287 29.490 0.797 19045 7561 1 10 . 1 1 125 125 TRP H H 125 8.824 8.824 9.102 -0.278 19045 7562 1 10 . 1 1 126 126 GLY N N 126 107.516 107.516 105.544 1.972 19045 7563 1 10 . 1 1 126 126 GLY CA C 126 48.294 48.294 47.230 1.064 19045 7564 1 10 . 1 1 126 126 GLY H H 126 9.118 9.118 8.926 0.192 19045 7565 1 10 . 1 1 127 127 ARG N N 127 119.610 119.610 122.061 -2.451 19045 7566 1 10 . 1 1 127 127 ARG HA H 127 3.742 3.742 3.983 -0.241 19045 7567 1 10 . 1 1 127 127 ARG CA C 127 59.551 59.551 58.787 0.764 19045 7568 1 10 . 1 1 127 127 ARG CB C 127 31.163 31.163 29.914 1.249 19045 7569 1 10 . 1 1 127 127 ARG H H 127 8.616 8.616 7.417 1.199 19045 7570 1 10 . 1 1 128 128 VAL N N 128 120.289 120.289 120.157 0.132 19045 7571 1 10 . 1 1 128 128 VAL HA H 128 3.662 3.662 3.901 -0.239 19045 7572 1 10 . 1 1 128 128 VAL CA C 128 68.387 68.387 67.251 1.137 19045 7573 1 10 . 1 1 128 128 VAL CB C 128 31.127 31.127 31.837 -0.710 19045 7574 1 10 . 1 1 128 128 VAL H H 128 7.762 7.762 8.061 -0.299 19045 7575 1 10 . 1 1 129 129 VAL N N 129 119.577 119.577 116.242 3.335 19045 7576 1 10 . 1 1 129 129 VAL HA H 129 3.449 3.449 3.567 -0.118 19045 7577 1 10 . 1 1 129 129 VAL CA C 129 67.772 67.772 66.309 1.462 19045 7578 1 10 . 1 1 129 129 VAL CB C 129 30.918 30.918 31.177 -0.259 19045 7579 1 10 . 1 1 129 129 VAL H H 129 8.433 8.433 8.061 0.372 19045 7580 1 10 . 1 1 130 130 ALA N N 130 123.330 123.330 123.580 -0.250 19045 7581 1 10 . 1 1 130 130 ALA HA H 130 4.069 4.069 4.071 -0.002 19045 7582 1 10 . 1 1 130 130 ALA CA C 130 54.978 54.978 55.133 -0.154 19045 7583 1 10 . 1 1 130 130 ALA CB C 130 17.446 17.446 18.445 -0.999 19045 7584 1 10 . 1 1 130 130 ALA H H 130 8.766 8.766 7.885 0.881 19045 7585 1 10 . 1 1 131 131 LEU N N 131 120.040 120.040 120.033 0.007 19045 7586 1 10 . 1 1 131 131 LEU HA H 131 3.961 3.961 4.532 -0.571 19045 7587 1 10 . 1 1 131 131 LEU CA C 131 58.353 58.353 58.474 -0.121 19045 7588 1 10 . 1 1 131 131 LEU CB C 131 40.750 40.750 42.377 -1.627 19045 7589 1 10 . 1 1 131 131 LEU H H 131 8.178 8.178 8.238 -0.060 19045 7590 1 10 . 1 1 132 132 LEU N N 132 119.150 119.150 117.550 1.600 19045 7591 1 10 . 1 1 132 132 LEU HA H 132 3.952 3.952 4.325 -0.373 19045 7592 1 10 . 1 1 132 132 LEU CA C 132 58.620 58.620 57.897 0.723 19045 7593 1 10 . 1 1 132 132 LEU CB C 132 38.835 38.835 40.891 -2.056 19045 7594 1 10 . 1 1 132 132 LEU H H 132 7.927 7.927 7.780 0.147 19045 7595 1 10 . 1 1 133 133 GLY N N 133 107.066 107.066 108.372 -1.306 19045 7596 1 10 . 1 1 133 133 GLY CA C 133 48.339 48.339 47.651 0.688 19045 7597 1 10 . 1 1 133 133 GLY H H 133 8.752 8.752 8.466 0.286 19045 7598 1 10 . 1 1 134 134 PHE N N 134 123.521 123.521 121.520 2.001 19045 7599 1 10 . 1 1 134 134 PHE HA H 134 4.601 4.601 4.335 0.266 19045 7600 1 10 . 1 1 134 134 PHE CA C 134 59.884 59.884 58.495 1.389 19045 7601 1 10 . 1 1 134 134 PHE CB C 134 38.622 38.622 37.977 0.645 19045 7602 1 10 . 1 1 134 134 PHE H H 134 8.606 8.606 8.378 0.228 19045 7603 1 10 . 1 1 135 135 GLY N N 135 106.412 106.412 109.092 -2.680 19045 7604 1 10 . 1 1 135 135 GLY CA C 135 47.731 47.731 47.076 0.655 19045 7605 1 10 . 1 1 135 135 GLY H H 135 8.715 8.715 7.784 0.931 19045 7606 1 10 . 1 1 136 136 TYR N N 136 121.461 121.461 123.332 -1.871 19045 7607 1 10 . 1 1 136 136 TYR HA H 136 4.116 4.116 4.244 -0.128 19045 7608 1 10 . 1 1 136 136 TYR CA C 136 61.564 61.564 60.547 1.017 19045 7609 1 10 . 1 1 136 136 TYR CB C 136 38.469 38.469 38.356 0.113 19045 7610 1 10 . 1 1 136 136 TYR H H 136 8.809 8.809 8.051 0.758 19045 7611 1 10 . 1 1 137 137 ARG N N 137 117.518 117.518 118.783 -1.265 19045 7612 1 10 . 1 1 137 137 ARG HA H 137 3.647 3.647 3.669 -0.022 19045 7613 1 10 . 1 1 137 137 ARG CA C 137 58.904 58.904 59.582 -0.678 19045 7614 1 10 . 1 1 137 137 ARG CB C 137 29.189 29.189 30.044 -0.855 19045 7615 1 10 . 1 1 137 137 ARG H H 137 8.646 8.646 7.649 0.997 19045 7616 1 10 . 1 1 138 138 LEU N N 138 121.658 121.658 119.964 1.694 19045 7617 1 10 . 1 1 138 138 LEU HA H 138 3.905 3.905 4.116 -0.211 19045 7618 1 10 . 1 1 138 138 LEU CA C 138 58.454 58.454 58.031 0.423 19045 7619 1 10 . 1 1 138 138 LEU CB C 138 41.801 41.801 41.788 0.013 19045 7620 1 10 . 1 1 138 138 LEU H H 138 9.065 9.065 8.320 0.745 19045 7621 1 10 . 1 1 139 139 ALA N N 139 120.012 120.012 120.811 -0.799 19045 7622 1 10 . 1 1 139 139 ALA HA H 139 4.004 4.004 3.577 0.427 19045 7623 1 10 . 1 1 139 139 ALA CA C 139 55.174 55.174 54.539 0.635 19045 7624 1 10 . 1 1 139 139 ALA CB C 139 17.943 17.943 18.273 -0.330 19045 7625 1 10 . 1 1 139 139 ALA H H 139 8.237 8.237 7.748 0.489 19045 7626 1 10 . 1 1 140 140 LEU N N 140 119.522 119.522 119.491 0.031 19045 7627 1 10 . 1 1 140 140 LEU HA H 140 4.000 4.000 3.894 0.106 19045 7628 1 10 . 1 1 140 140 LEU CA C 140 57.805 57.805 57.583 0.222 19045 7629 1 10 . 1 1 140 140 LEU CB C 140 42.324 42.324 41.620 0.704 19045 7630 1 10 . 1 1 140 140 LEU H H 140 8.191 8.191 8.195 -0.004 19045 7631 1 10 . 1 1 141 141 HIS N N 141 117.834 117.834 117.352 0.482 19045 7632 1 10 . 1 1 141 141 HIS HA H 141 4.183 4.183 4.280 -0.097 19045 7633 1 10 . 1 1 141 141 HIS CA C 141 60.960 60.960 59.847 1.113 19045 7634 1 10 . 1 1 141 141 HIS CB C 141 31.708 31.708 30.399 1.309 19045 7635 1 10 . 1 1 141 141 HIS H H 141 8.253 8.253 8.111 0.142 19045 7636 1 10 . 1 1 142 142 VAL N N 142 113.700 113.700 114.425 -0.725 19045 7637 1 10 . 1 1 142 142 VAL HA H 142 3.887 3.887 4.260 -0.373 19045 7638 1 10 . 1 1 142 142 VAL CA C 142 65.948 65.948 63.120 2.828 19045 7639 1 10 . 1 1 142 142 VAL CB C 142 30.264 30.264 32.143 -1.879 19045 7640 1 10 . 1 1 142 142 VAL H H 142 8.455 8.455 7.369 1.086 19045 7641 1 10 . 1 1 143 143 TYR N N 143 123.307 123.307 122.767 0.540 19045 7642 1 10 . 1 1 143 143 TYR HA H 143 4.320 4.320 4.209 0.111 19045 7643 1 10 . 1 1 143 143 TYR CA C 143 61.934 61.934 62.223 -0.289 19045 7644 1 10 . 1 1 143 143 TYR CB C 143 38.779 38.779 38.508 0.271 19045 7645 1 10 . 1 1 143 143 TYR H H 143 7.750 7.750 8.498 -0.748 19045 7646 1 10 . 1 1 144 144 GLN N N 144 118.560 118.560 117.526 1.034 19045 7647 1 10 . 1 1 144 144 GLN HA H 144 3.686 3.686 3.877 -0.191 19045 7648 1 10 . 1 1 144 144 GLN CA C 144 58.055 58.055 58.502 -0.446 19045 7649 1 10 . 1 1 144 144 GLN CB C 144 27.859 27.859 28.151 -0.292 19045 7650 1 10 . 1 1 144 144 GLN H H 144 8.486 8.486 7.969 0.517 19045 7651 1 10 . 1 1 145 145 HIS N N 145 114.312 114.312 116.282 -1.970 19045 7652 1 10 . 1 1 145 145 HIS HA H 145 4.330 4.330 4.341 -0.011 19045 7653 1 10 . 1 1 145 145 HIS CA C 145 56.178 56.178 57.295 -1.117 19045 7654 1 10 . 1 1 145 145 HIS CB C 145 27.751 27.751 30.597 -2.846 19045 7655 1 10 . 1 1 145 145 HIS H H 145 7.350 7.350 7.650 -0.300 19045 7656 1 10 . 1 1 146 146 GLY N N 146 106.537 106.537 107.165 -0.628 19045 7657 1 10 . 1 1 146 146 GLY CA C 146 45.715 45.715 44.718 0.997 19045 7658 1 10 . 1 1 146 146 GLY H H 146 7.471 7.471 7.741 -0.270 19045 7659 1 10 . 1 1 147 147 LEU N N 147 123.302 123.302 121.185 2.117 19045 7660 1 10 . 1 1 147 147 LEU HA H 147 4.496 4.496 4.870 -0.374 19045 7661 1 10 . 1 1 147 147 LEU CA C 147 54.259 54.259 53.391 0.868 19045 7662 1 10 . 1 1 147 147 LEU CB C 147 41.033 41.033 43.646 -2.613 19045 7663 1 10 . 1 1 147 147 LEU H H 147 7.933 7.933 7.621 0.312 19045 7664 1 10 . 1 1 148 148 THR HA H 148 4.523 4.523 4.524 -0.001 19045 7665 1 10 . 1 1 148 148 THR CA C 148 61.027 61.027 61.157 -0.130 19045 7666 1 10 . 1 1 148 148 THR CB C 148 70.359 70.359 67.479 2.880 19045 7667 1 10 . 1 1 149 149 GLY CA C 149 47.016 47.016 44.839 2.178 19045 7668 1 10 . 1 1 149 149 GLY H H 149 8.458 8.458 7.856 0.602 19045 7669 1 10 . 1 1 150 150 PHE N N 150 123.408 123.408 124.347 -0.939 19045 7670 1 10 . 1 1 150 150 PHE HA H 150 4.555 4.555 4.655 -0.100 19045 7671 1 10 . 1 1 150 150 PHE CA C 150 57.964 57.964 58.697 -0.733 19045 7672 1 10 . 1 1 150 150 PHE CB C 150 42.911 42.911 39.749 3.162 19045 7673 1 10 . 1 1 150 150 PHE H H 150 9.331 9.331 8.232 1.099 19045 7674 1 10 . 1 1 151 151 LEU N N 151 123.032 123.032 120.222 2.810 19045 7675 1 10 . 1 1 151 151 LEU HA H 151 3.859 3.859 4.203 -0.344 19045 7676 1 10 . 1 1 151 151 LEU CA C 151 58.454 58.454 58.471 -0.017 19045 7677 1 10 . 1 1 151 151 LEU CB C 151 40.948 40.948 39.801 1.147 19045 7678 1 10 . 1 1 151 151 LEU H H 151 8.470 8.470 7.960 0.510 19045 7679 1 10 . 1 1 152 152 GLY N N 152 108.386 108.386 105.590 2.796 19045 7680 1 10 . 1 1 152 152 GLY CA C 152 46.676 46.676 47.391 -0.715 19045 7681 1 10 . 1 1 152 152 GLY H H 152 8.577 8.577 8.533 0.044 19045 7682 1 10 . 1 1 153 153 GLN N N 153 122.055 122.055 120.844 1.211 19045 7683 1 10 . 1 1 153 153 GLN HA H 153 3.532 3.532 3.474 0.058 19045 7684 1 10 . 1 1 153 153 GLN CA C 153 57.844 57.844 57.719 0.124 19045 7685 1 10 . 1 1 153 153 GLN CB C 153 26.442 26.442 27.461 -1.019 19045 7686 1 10 . 1 1 153 153 GLN H H 153 7.106 7.106 7.996 -0.890 19045 7687 1 10 . 1 1 154 154 VAL N N 154 116.706 116.706 119.424 -2.718 19045 7688 1 10 . 1 1 154 154 VAL HA H 154 2.428 2.428 3.497 -1.069 19045 7689 1 10 . 1 1 154 154 VAL CA C 154 66.089 66.089 66.388 -0.299 19045 7690 1 10 . 1 1 154 154 VAL CB C 154 31.463 31.463 30.873 0.590 19045 7691 1 10 . 1 1 154 154 VAL H H 154 7.033 7.033 8.271 -1.238 19045 7692 1 10 . 1 1 155 155 THR N N 155 114.165 114.165 113.677 0.488 19045 7693 1 10 . 1 1 155 155 THR HA H 155 3.317 3.317 3.416 -0.099 19045 7694 1 10 . 1 1 155 155 THR CA C 155 67.050 67.050 66.109 0.941 19045 7695 1 10 . 1 1 155 155 THR CB C 155 68.307 68.307 68.089 0.218 19045 7696 1 10 . 1 1 155 155 THR H H 155 7.860 7.860 8.048 -0.188 19045 7697 1 10 . 1 1 156 156 ARG N N 156 119.890 119.890 121.361 -1.471 19045 7698 1 10 . 1 1 156 156 ARG HA H 156 3.769 3.769 4.036 -0.267 19045 7699 1 10 . 1 1 156 156 ARG CA C 156 58.769 58.769 58.235 0.534 19045 7700 1 10 . 1 1 156 156 ARG CB C 156 28.693 28.693 29.233 -0.540 19045 7701 1 10 . 1 1 156 156 ARG H H 156 7.019 7.019 7.716 -0.697 19045 7702 1 10 . 1 1 157 157 PHE N N 157 118.242 118.242 119.012 -0.770 19045 7703 1 10 . 1 1 157 157 PHE HA H 157 4.426 4.426 4.449 -0.023 19045 7704 1 10 . 1 1 157 157 PHE CA C 157 56.928 56.928 59.513 -2.585 19045 7705 1 10 . 1 1 157 157 PHE CB C 157 35.794 35.794 38.042 -2.248 19045 7706 1 10 . 1 1 157 157 PHE H H 157 8.030 8.030 7.741 0.289 19045 7707 1 10 . 1 1 158 158 VAL N N 158 118.961 118.961 117.851 1.110 19045 7708 1 10 . 1 1 158 158 VAL HA H 158 3.425 3.425 4.043 -0.618 19045 7709 1 10 . 1 1 158 158 VAL CA C 158 67.288 67.288 67.213 0.075 19045 7710 1 10 . 1 1 158 158 VAL CB C 158 31.554 31.554 31.319 0.235 19045 7711 1 10 . 1 1 158 158 VAL H H 158 7.607 7.607 8.484 -0.877 19045 7712 1 10 . 1 1 159 159 VAL N N 159 119.773 119.773 120.827 -1.054 19045 7713 1 10 . 1 1 159 159 VAL HA H 159 3.358 3.358 3.655 -0.297 19045 7714 1 10 . 1 1 159 159 VAL CA C 159 67.570 67.570 66.846 0.724 19045 7715 1 10 . 1 1 159 159 VAL CB C 159 32.355 32.355 31.511 0.844 19045 7716 1 10 . 1 1 159 159 VAL H H 159 8.039 8.039 7.800 0.239 19045 7717 1 10 . 1 1 160 160 ASP N N 160 118.382 118.382 121.084 -2.702 19045 7718 1 10 . 1 1 160 160 ASP HA H 160 4.293 4.293 4.471 -0.178 19045 7719 1 10 . 1 1 160 160 ASP CA C 160 57.567 57.567 57.750 -0.183 19045 7720 1 10 . 1 1 160 160 ASP CB C 160 41.474 41.474 40.682 0.791 19045 7721 1 10 . 1 1 160 160 ASP H H 160 8.752 8.752 8.152 0.600 19045 7722 1 10 . 1 1 161 161 PHE N N 161 119.972 119.972 120.415 -0.443 19045 7723 1 10 . 1 1 161 161 PHE HA H 161 4.175 4.175 4.559 -0.384 19045 7724 1 10 . 1 1 161 161 PHE CA C 161 62.688 62.688 60.633 2.055 19045 7725 1 10 . 1 1 161 161 PHE CB C 161 39.789 39.789 39.717 0.072 19045 7726 1 10 . 1 1 161 161 PHE H H 161 8.558 8.558 8.685 -0.127 19045 7727 1 10 . 1 1 162 162 MET N N 162 116.261 116.261 120.935 -4.674 19045 7728 1 10 . 1 1 162 162 MET HA H 162 3.702 3.702 3.981 -0.279 19045 7729 1 10 . 1 1 162 162 MET CA C 162 59.342 59.342 59.588 -0.246 19045 7730 1 10 . 1 1 162 162 MET CB C 162 32.081 32.081 33.007 -0.926 19045 7731 1 10 . 1 1 162 162 MET H H 162 8.597 8.597 8.110 0.487 19045 7732 1 10 . 1 1 163 163 LEU N N 163 119.069 119.069 112.806 6.263 19045 7733 1 10 . 1 1 163 163 LEU HA H 163 3.952 3.952 4.363 -0.411 19045 7734 1 10 . 1 1 163 163 LEU CA C 163 57.856 57.856 55.440 2.416 19045 7735 1 10 . 1 1 163 163 LEU CB C 163 42.236 42.236 41.233 1.003 19045 7736 1 10 . 1 1 163 163 LEU H H 163 8.291 8.291 7.672 0.619 19045 7737 1 10 . 1 1 164 164 HIS N N 164 113.591 113.591 115.385 -1.794 19045 7738 1 10 . 1 1 164 164 HIS HA H 164 4.430 4.430 4.695 -0.265 19045 7739 1 10 . 1 1 164 164 HIS CA C 164 57.289 57.289 56.331 0.958 19045 7740 1 10 . 1 1 164 164 HIS CB C 164 28.766 28.766 30.573 -1.807 19045 7741 1 10 . 1 1 164 164 HIS H H 164 8.111 8.111 7.365 0.746 19045 7742 1 10 . 1 1 165 165 HIS N N 165 115.730 115.730 117.486 -1.756 19045 7743 1 10 . 1 1 165 165 HIS HA H 165 4.602 4.602 4.459 0.143 19045 7744 1 10 . 1 1 165 165 HIS CA C 165 54.752 54.752 55.819 -1.067 19045 7745 1 10 . 1 1 165 165 HIS CB C 165 26.766 26.766 29.852 -3.086 19045 7746 1 10 . 1 1 165 165 HIS H H 165 7.789 7.789 7.492 0.297 19045 7747 1 10 . 1 1 166 166 CYS N N 166 109.533 109.533 116.957 -7.424 19045 7748 1 10 . 1 1 166 166 CYS HA H 166 4.274 4.274 4.000 0.274 19045 7749 1 10 . 1 1 166 166 CYS CA C 166 61.452 61.452 60.206 1.246 19045 7750 1 10 . 1 1 166 166 CYS CB C 166 25.215 25.215 26.549 -1.334 19045 7751 1 10 . 1 1 166 166 CYS H H 166 7.761 7.761 8.331 -0.570 19045 7752 1 10 . 1 1 167 167 ILE N N 167 119.980 119.980 119.787 0.193 19045 7753 1 10 . 1 1 167 167 ILE HA H 167 3.563 3.563 3.835 -0.272 19045 7754 1 10 . 1 1 167 167 ILE CA C 167 62.212 62.212 63.288 -1.076 19045 7755 1 10 . 1 1 167 167 ILE CB C 167 35.969 35.969 36.983 -1.014 19045 7756 1 10 . 1 1 167 167 ILE H H 167 7.574 7.574 7.763 -0.189 19045 7757 1 10 . 1 1 168 168 ALA N N 168 121.737 121.737 123.030 -1.293 19045 7758 1 10 . 1 1 168 168 ALA HA H 168 3.775 3.775 3.990 -0.215 19045 7759 1 10 . 1 1 168 168 ALA CA C 168 55.082 55.082 55.338 -0.256 19045 7760 1 10 . 1 1 168 168 ALA CB C 168 16.505 16.505 18.242 -1.737 19045 7761 1 10 . 1 1 168 168 ALA H H 168 7.935 7.935 7.531 0.404 19045 7762 1 10 . 1 1 169 169 ARG N N 169 118.369 118.369 117.743 0.626 19045 7763 1 10 . 1 1 169 169 ARG HA H 169 3.550 3.550 3.973 -0.423 19045 7764 1 10 . 1 1 169 169 ARG CA C 169 59.581 59.581 58.963 0.618 19045 7765 1 10 . 1 1 169 169 ARG CB C 169 29.380 29.380 29.384 -0.004 19045 7766 1 10 . 1 1 169 169 ARG H H 169 7.936 7.936 8.328 -0.392 19045 7767 1 10 . 1 1 170 170 TRP N N 170 121.173 121.173 121.491 -0.318 19045 7768 1 10 . 1 1 170 170 TRP HA H 170 3.763 3.763 4.271 -0.508 19045 7769 1 10 . 1 1 170 170 TRP CA C 170 62.080 62.080 60.377 1.703 19045 7770 1 10 . 1 1 170 170 TRP CB C 170 29.423 29.423 29.021 0.402 19045 7771 1 10 . 1 1 170 170 TRP H H 170 7.259 7.259 7.302 -0.043 19045 7772 1 10 . 1 1 171 171 ILE N N 171 117.994 117.994 118.793 -0.799 19045 7773 1 10 . 1 1 171 171 ILE HA H 171 2.864 2.864 2.850 0.014 19045 7774 1 10 . 1 1 171 171 ILE CA C 171 65.347 65.347 64.740 0.607 19045 7775 1 10 . 1 1 171 171 ILE CB C 171 37.781 37.781 37.467 0.314 19045 7776 1 10 . 1 1 171 171 ILE H H 171 8.074 8.074 7.996 0.078 19045 7777 1 10 . 1 1 172 172 ALA N N 172 123.588 123.588 120.904 2.684 19045 7778 1 10 . 1 1 172 172 ALA HA H 172 3.506 3.506 3.953 -0.447 19045 7779 1 10 . 1 1 172 172 ALA CA C 172 55.685 55.685 54.985 0.700 19045 7780 1 10 . 1 1 172 172 ALA CB C 172 17.050 17.050 18.195 -1.145 19045 7781 1 10 . 1 1 172 172 ALA H H 172 8.511 8.511 7.983 0.528 19045 7782 1 10 . 1 1 173 173 GLN N N 173 117.382 117.382 116.937 0.445 19045 7783 1 10 . 1 1 173 173 GLN HA H 173 3.854 3.854 4.014 -0.160 19045 7784 1 10 . 1 1 173 173 GLN CA C 173 57.904 57.904 57.547 0.357 19045 7785 1 10 . 1 1 173 173 GLN CB C 173 28.141 28.141 28.388 -0.247 19045 7786 1 10 . 1 1 173 173 GLN H H 173 7.898 7.898 7.731 0.167 19045 7787 1 10 . 1 1 174 174 ARG N N 174 116.800 116.800 115.714 1.086 19045 7788 1 10 . 1 1 174 174 ARG HA H 174 4.097 4.097 4.057 0.040 19045 7789 1 10 . 1 1 174 174 ARG CA C 174 55.395 55.395 55.777 -0.382 19045 7790 1 10 . 1 1 174 174 ARG CB C 174 29.652 29.652 30.079 -0.427 19045 7791 1 10 . 1 1 174 174 ARG H H 174 6.984 6.984 7.363 -0.379 19045 7792 1 10 . 1 1 175 175 GLY N N 175 104.194 104.194 105.222 -1.028 19045 7793 1 10 . 1 1 175 175 GLY CA C 175 44.340 44.340 44.599 -0.259 19045 7794 1 10 . 1 1 175 175 GLY H H 175 7.418 7.418 7.320 0.098 19045 7795 1 10 . 1 1 176 176 GLY N N 176 107.629 107.629 107.794 -0.165 19045 7796 1 10 . 1 1 176 176 GLY CA C 176 43.501 43.501 44.761 -1.260 19045 7797 1 10 . 1 1 176 176 GLY H H 176 8.072 8.072 7.621 0.451 19045 7798 1 10 . 1 1 177 177 TRP N N 177 117.887 117.887 120.940 -3.053 19045 7799 1 10 . 1 1 177 177 TRP HA H 177 4.476 4.476 4.678 -0.202 19045 7800 1 10 . 1 1 177 177 TRP CA C 177 61.083 61.083 60.046 1.037 19045 7801 1 10 . 1 1 177 177 TRP CB C 177 30.927 30.927 29.365 1.562 19045 7802 1 10 . 1 1 177 177 TRP H H 177 8.218 8.218 8.894 -0.676 19045 7803 1 10 . 1 1 178 178 VAL N N 178 112.929 112.929 118.921 -5.992 19045 7804 1 10 . 1 1 178 178 VAL HA H 178 3.688 3.688 3.936 -0.248 19045 7805 1 10 . 1 1 178 178 VAL CA C 178 64.680 64.680 63.732 0.948 19045 7806 1 10 . 1 1 178 178 VAL CB C 178 31.057 31.057 30.191 0.866 19045 7807 1 10 . 1 1 178 178 VAL H H 178 8.284 8.284 7.822 0.462 19045 7808 1 10 . 1 1 179 179 ALA N N 179 125.101 125.101 122.234 2.867 19045 7809 1 10 . 1 1 179 179 ALA HA H 179 4.009 4.009 4.479 -0.470 19045 7810 1 10 . 1 1 179 179 ALA CA C 179 54.344 54.344 52.815 1.529 19045 7811 1 10 . 1 1 179 179 ALA CB C 179 18.555 18.555 18.804 -0.249 19045 7812 1 10 . 1 1 179 179 ALA H H 179 7.670 7.670 7.993 -0.323 19045 7813 1 10 . 1 1 180 180 ALA N N 180 119.081 119.081 122.400 -3.319 19045 7814 1 10 . 1 1 180 180 ALA HA H 180 3.293 3.293 3.895 -0.602 19045 7815 1 10 . 1 1 180 180 ALA CA C 180 52.783 52.783 53.978 -1.195 19045 7816 1 10 . 1 1 180 180 ALA CB C 180 18.113 18.113 18.275 -0.162 19045 7817 1 10 . 1 1 180 180 ALA H H 180 8.058 8.058 7.407 0.651 19045 7818 1 10 . 1 1 181 181 LEU N N 181 114.169 114.169 115.046 -0.877 19045 7819 1 10 . 1 1 181 181 LEU HA H 181 3.911 3.911 4.061 -0.150 19045 7820 1 10 . 1 1 181 181 LEU CA C 181 56.128 56.128 56.833 -0.705 19045 7821 1 10 . 1 1 181 181 LEU CB C 181 40.955 40.955 41.447 -0.492 19045 7822 1 10 . 1 1 181 181 LEU H H 181 7.342 7.342 8.075 -0.733 19045 7823 1 10 . 1 1 182 182 ASN N N 182 115.061 115.061 115.494 -0.433 19045 7824 1 10 . 1 1 182 182 ASN HA H 182 4.743 4.743 4.668 0.075 19045 7825 1 10 . 1 1 182 182 ASN CA C 182 52.508 52.508 52.743 -0.235 19045 7826 1 10 . 1 1 182 182 ASN CB C 182 39.091 39.091 39.633 -0.542 19045 7827 1 10 . 1 1 182 182 ASN H H 182 7.289 7.289 7.511 -0.222 19045 7828 1 10 . 1 1 183 183 LEU N N 183 119.889 119.889 120.013 -0.124 19045 7829 1 10 . 1 1 183 183 LEU HA H 183 4.125 4.125 4.169 -0.044 19045 7830 1 10 . 1 1 183 183 LEU CA C 183 55.201 55.201 55.655 -0.454 19045 7831 1 10 . 1 1 183 183 LEU CB C 183 42.174 42.174 42.062 0.112 19045 7832 1 10 . 1 1 183 183 LEU H H 183 7.148 7.148 7.106 0.042 19045 7833 1 10 . 1 1 184 184 GLY N N 184 107.883 107.883 108.813 -0.930 19045 7834 1 10 . 1 1 184 184 GLY CA C 184 45.256 45.256 46.409 -1.153 19045 7835 1 10 . 1 1 184 184 GLY H H 184 8.486 8.486 8.477 0.009 19045 7836 1 10 . 1 1 185 185 ASN N N 185 118.093 118.093 123.514 -5.421 19045 7837 1 10 . 1 1 185 185 ASN HA H 185 4.755 4.755 4.709 0.046 19045 7838 1 10 . 1 1 185 185 ASN CA C 185 52.812 52.812 52.507 0.305 19045 7839 1 10 . 1 1 185 185 ASN CB C 185 39.297 39.297 38.158 1.139 19045 7840 1 10 . 1 1 185 185 ASN H H 185 8.074 8.074 8.300 -0.226 19045 7841 1 11 . 1 1 19 19 LEU N N 19 122.834 122.834 123.300 -0.466 19045 7842 1 11 . 1 1 19 19 LEU HA H 19 4.523 4.523 4.672 -0.149 19045 7843 1 11 . 1 1 19 19 LEU CA C 19 52.690 52.690 53.171 -0.481 19045 7844 1 11 . 1 1 19 19 LEU CB C 19 41.808 41.808 41.228 0.580 19045 7845 1 11 . 1 1 19 19 LEU H H 19 8.080 8.080 8.289 -0.209 19045 7846 1 11 . 1 1 20 20 PRO HA H 20 4.353 4.353 4.606 -0.253 19045 7847 1 11 . 1 1 20 20 PRO CA C 20 62.826 62.826 62.369 0.457 19045 7848 1 11 . 1 1 20 20 PRO CB C 20 31.969 31.969 32.350 -0.381 19045 7849 1 11 . 1 1 21 21 SER N N 21 116.268 116.268 113.816 2.452 19045 7850 1 11 . 1 1 21 21 SER HA H 21 4.249 4.249 4.493 -0.244 19045 7851 1 11 . 1 1 21 21 SER CA C 21 58.338 58.338 57.531 0.807 19045 7852 1 11 . 1 1 21 21 SER CB C 21 63.856 63.856 64.257 -0.401 19045 7853 1 11 . 1 1 21 21 SER H H 21 8.246 8.246 8.211 0.035 19045 7854 1 11 . 1 1 22 22 ALA N N 22 125.246 125.246 121.944 3.302 19045 7855 1 11 . 1 1 22 22 ALA HA H 22 4.405 4.405 4.452 -0.047 19045 7856 1 11 . 1 1 22 22 ALA CA C 22 52.086 52.086 51.795 0.290 19045 7857 1 11 . 1 1 22 22 ALA CB C 22 19.582 19.582 20.176 -0.594 19045 7858 1 11 . 1 1 22 22 ALA H H 22 8.192 8.192 8.295 -0.103 19045 7859 1 11 . 1 1 23 23 SER N N 23 114.236 114.236 113.725 0.511 19045 7860 1 11 . 1 1 23 23 SER HA H 23 4.469 4.469 4.951 -0.482 19045 7861 1 11 . 1 1 23 23 SER CA C 23 57.386 57.386 57.141 0.245 19045 7862 1 11 . 1 1 23 23 SER CB C 23 64.582 64.582 65.845 -1.263 19045 7863 1 11 . 1 1 23 23 SER H H 23 8.081 8.081 8.375 -0.294 19045 7864 1 11 . 1 1 24 24 GLU N N 24 124.005 124.005 122.101 1.904 19045 7865 1 11 . 1 1 24 24 GLU HA H 24 3.534 3.534 3.885 -0.351 19045 7866 1 11 . 1 1 24 24 GLU CA C 24 59.772 59.772 59.910 -0.138 19045 7867 1 11 . 1 1 24 24 GLU CB C 24 29.798 29.798 29.044 0.754 19045 7868 1 11 . 1 1 24 24 GLU H H 24 8.702 8.702 8.991 -0.289 19045 7869 1 11 . 1 1 25 25 GLU N N 25 118.390 118.390 119.013 -0.623 19045 7870 1 11 . 1 1 25 25 GLU HA H 25 3.796 3.796 3.959 -0.163 19045 7871 1 11 . 1 1 25 25 GLU CA C 25 59.939 59.939 59.254 0.685 19045 7872 1 11 . 1 1 25 25 GLU CB C 25 29.217 29.217 28.399 0.818 19045 7873 1 11 . 1 1 25 25 GLU H H 25 8.559 8.559 8.858 -0.299 19045 7874 1 11 . 1 1 26 26 GLN N N 26 120.776 120.776 119.831 0.945 19045 7875 1 11 . 1 1 26 26 GLN HA H 26 3.916 3.916 4.479 -0.563 19045 7876 1 11 . 1 1 26 26 GLN CA C 26 58.343 58.343 57.904 0.439 19045 7877 1 11 . 1 1 26 26 GLN CB C 26 28.119 28.119 28.244 -0.125 19045 7878 1 11 . 1 1 26 26 GLN H H 26 7.764 7.764 7.709 0.055 19045 7879 1 11 . 1 1 27 27 VAL N N 27 118.723 118.723 121.768 -3.045 19045 7880 1 11 . 1 1 27 27 VAL HA H 27 3.933 3.933 3.814 0.118 19045 7881 1 11 . 1 1 27 27 VAL CA C 27 66.285 66.285 66.588 -0.303 19045 7882 1 11 . 1 1 27 27 VAL CB C 27 31.596 31.596 31.513 0.083 19045 7883 1 11 . 1 1 27 27 VAL H H 27 8.062 8.062 8.364 -0.302 19045 7884 1 11 . 1 1 28 28 ALA N N 28 122.902 122.902 122.313 0.589 19045 7885 1 11 . 1 1 28 28 ALA HA H 28 4.026 4.026 4.023 0.003 19045 7886 1 11 . 1 1 28 28 ALA CA C 28 56.178 56.178 55.674 0.504 19045 7887 1 11 . 1 1 28 28 ALA CB C 28 18.463 18.463 18.334 0.129 19045 7888 1 11 . 1 1 28 28 ALA H H 28 8.412 8.412 8.263 0.149 19045 7889 1 11 . 1 1 29 29 GLN N N 29 117.996 117.996 117.397 0.599 19045 7890 1 11 . 1 1 29 29 GLN HA H 29 4.084 4.084 4.158 -0.074 19045 7891 1 11 . 1 1 29 29 GLN CA C 29 59.063 59.063 58.341 0.722 19045 7892 1 11 . 1 1 29 29 GLN CB C 29 28.452 28.452 28.205 0.247 19045 7893 1 11 . 1 1 29 29 GLN H H 29 7.900 7.900 7.751 0.149 19045 7894 1 11 . 1 1 30 30 ASP N N 30 121.907 121.907 119.953 1.954 19045 7895 1 11 . 1 1 30 30 ASP HA H 30 4.521 4.521 4.354 0.167 19045 7896 1 11 . 1 1 30 30 ASP CA C 30 57.038 57.038 56.879 0.159 19045 7897 1 11 . 1 1 30 30 ASP CB C 30 41.939 41.939 40.311 1.628 19045 7898 1 11 . 1 1 30 30 ASP H H 30 8.888 8.888 8.318 0.570 19045 7899 1 11 . 1 1 31 31 THR N N 31 114.861 114.861 116.668 -1.807 19045 7900 1 11 . 1 1 31 31 THR HA H 31 3.493 3.493 3.562 -0.069 19045 7901 1 11 . 1 1 31 31 THR CA C 31 66.946 66.946 66.925 0.021 19045 7902 1 11 . 1 1 31 31 THR CB C 31 68.523 68.523 68.904 -0.381 19045 7903 1 11 . 1 1 31 31 THR H H 31 8.069 8.069 8.183 -0.114 19045 7904 1 11 . 1 1 32 32 GLU N N 32 120.848 120.848 121.159 -0.311 19045 7905 1 11 . 1 1 32 32 GLU HA H 32 3.597 3.597 3.883 -0.286 19045 7906 1 11 . 1 1 32 32 GLU CA C 32 60.899 60.899 59.550 1.349 19045 7907 1 11 . 1 1 32 32 GLU CB C 32 28.963 28.963 28.930 0.033 19045 7908 1 11 . 1 1 32 32 GLU H H 32 7.578 7.578 8.041 -0.463 19045 7909 1 11 . 1 1 33 33 GLU N N 33 117.741 117.741 119.683 -1.942 19045 7910 1 11 . 1 1 33 33 GLU HA H 33 3.938 3.938 4.029 -0.091 19045 7911 1 11 . 1 1 33 33 GLU CA C 33 58.768 58.768 58.806 -0.038 19045 7912 1 11 . 1 1 33 33 GLU CB C 33 29.708 29.708 29.380 0.328 19045 7913 1 11 . 1 1 33 33 GLU H H 33 7.446 7.446 7.921 -0.475 19045 7914 1 11 . 1 1 34 34 VAL N N 34 120.239 120.239 119.460 0.779 19045 7915 1 11 . 1 1 34 34 VAL HA H 34 3.108 3.108 3.601 -0.493 19045 7916 1 11 . 1 1 34 34 VAL CA C 34 66.979 66.979 65.563 1.416 19045 7917 1 11 . 1 1 34 34 VAL CB C 34 31.884 31.884 30.569 1.315 19045 7918 1 11 . 1 1 34 34 VAL H H 34 7.792 7.792 7.757 0.035 19045 7919 1 11 . 1 1 35 35 PHE N N 35 117.559 117.559 121.289 -3.730 19045 7920 1 11 . 1 1 35 35 PHE HA H 35 4.209 4.209 4.041 0.168 19045 7921 1 11 . 1 1 35 35 PHE CA C 35 61.592 61.592 62.122 -0.530 19045 7922 1 11 . 1 1 35 35 PHE CB C 35 39.066 39.066 39.011 0.055 19045 7923 1 11 . 1 1 35 35 PHE H H 35 8.895 8.895 8.448 0.447 19045 7924 1 11 . 1 1 36 36 ARG N N 36 116.705 116.705 118.418 -1.713 19045 7925 1 11 . 1 1 36 36 ARG HA H 36 3.555 3.555 3.643 -0.088 19045 7926 1 11 . 1 1 36 36 ARG CA C 36 59.906 59.906 59.805 0.101 19045 7927 1 11 . 1 1 36 36 ARG CB C 36 29.654 29.654 29.826 -0.172 19045 7928 1 11 . 1 1 36 36 ARG H H 36 8.182 8.182 8.193 -0.011 19045 7929 1 11 . 1 1 37 37 SER N N 37 112.628 112.628 115.615 -2.987 19045 7930 1 11 . 1 1 37 37 SER HA H 37 4.122 4.122 4.194 -0.071 19045 7931 1 11 . 1 1 37 37 SER CA C 37 61.258 61.258 62.019 -0.761 19045 7932 1 11 . 1 1 37 37 SER CB C 37 63.089 63.089 62.872 0.217 19045 7933 1 11 . 1 1 37 37 SER H H 37 7.845 7.845 8.092 -0.247 19045 7934 1 11 . 1 1 38 38 TYR N N 38 122.458 122.458 123.902 -1.444 19045 7935 1 11 . 1 1 38 38 TYR HA H 38 3.927 3.927 3.992 -0.065 19045 7936 1 11 . 1 1 38 38 TYR CA C 38 62.006 62.006 61.836 0.170 19045 7937 1 11 . 1 1 38 38 TYR CB C 38 38.892 38.892 38.359 0.533 19045 7938 1 11 . 1 1 38 38 TYR H H 38 8.793 8.793 8.140 0.653 19045 7939 1 11 . 1 1 39 39 VAL N N 39 115.951 115.951 117.146 -1.195 19045 7940 1 11 . 1 1 39 39 VAL HA H 39 3.209 3.209 3.444 -0.235 19045 7941 1 11 . 1 1 39 39 VAL CA C 39 65.982 65.982 65.373 0.609 19045 7942 1 11 . 1 1 39 39 VAL CB C 39 30.884 30.884 30.387 0.497 19045 7943 1 11 . 1 1 39 39 VAL H H 39 8.348 8.348 7.983 0.365 19045 7944 1 11 . 1 1 40 40 PHE N N 40 119.608 119.608 121.834 -2.226 19045 7945 1 11 . 1 1 40 40 PHE HA H 40 3.915 3.915 4.122 -0.207 19045 7946 1 11 . 1 1 40 40 PHE CA C 40 61.651 61.651 61.321 0.330 19045 7947 1 11 . 1 1 40 40 PHE CB C 40 39.411 39.411 39.290 0.121 19045 7948 1 11 . 1 1 40 40 PHE H H 40 7.596 7.596 7.885 -0.289 19045 7949 1 11 . 1 1 41 41 TYR N N 41 117.686 117.686 119.144 -1.458 19045 7950 1 11 . 1 1 41 41 TYR HA H 41 3.818 3.818 3.852 -0.034 19045 7951 1 11 . 1 1 41 41 TYR CA C 41 63.446 63.446 60.080 3.366 19045 7952 1 11 . 1 1 41 41 TYR CB C 41 37.528 37.528 37.903 -0.375 19045 7953 1 11 . 1 1 41 41 TYR H H 41 8.578 8.578 8.176 0.402 19045 7954 1 11 . 1 1 42 42 ARG N N 42 121.382 121.382 119.110 2.272 19045 7955 1 11 . 1 1 42 42 ARG HA H 42 3.581 3.581 3.844 -0.263 19045 7956 1 11 . 1 1 42 42 ARG CA C 42 57.999 57.999 59.328 -1.329 19045 7957 1 11 . 1 1 42 42 ARG CB C 42 26.992 26.992 30.121 -3.129 19045 7958 1 11 . 1 1 42 42 ARG H H 42 8.784 8.784 7.996 0.788 19045 7959 1 11 . 1 1 43 43 HIS N N 43 118.684 118.684 119.259 -0.575 19045 7960 1 11 . 1 1 43 43 HIS HA H 43 4.291 4.291 4.525 -0.234 19045 7961 1 11 . 1 1 43 43 HIS CA C 43 60.041 60.041 59.764 0.277 19045 7962 1 11 . 1 1 43 43 HIS CB C 43 27.938 27.938 29.975 -2.037 19045 7963 1 11 . 1 1 43 43 HIS H H 43 8.268 8.268 8.272 -0.004 19045 7964 1 11 . 1 1 44 44 GLN N N 44 117.841 117.841 118.755 -0.914 19045 7965 1 11 . 1 1 44 44 GLN HA H 44 3.638 3.638 3.862 -0.224 19045 7966 1 11 . 1 1 44 44 GLN CA C 44 58.681 58.681 58.682 -0.001 19045 7967 1 11 . 1 1 44 44 GLN CB C 44 28.977 28.977 28.025 0.952 19045 7968 1 11 . 1 1 44 44 GLN H H 44 7.722 7.722 7.967 -0.245 19045 7969 1 11 . 1 1 45 45 GLN N N 45 117.756 117.756 116.326 1.430 19045 7970 1 11 . 1 1 45 45 GLN HA H 45 3.932 3.932 3.969 -0.037 19045 7971 1 11 . 1 1 45 45 GLN CA C 45 57.923 57.923 58.388 -0.465 19045 7972 1 11 . 1 1 45 45 GLN CB C 45 28.039 28.039 28.469 -0.430 19045 7973 1 11 . 1 1 45 45 GLN H H 45 7.808 7.808 7.396 0.412 19045 7974 1 11 . 1 1 46 46 GLU N N 46 119.876 119.876 119.154 0.722 19045 7975 1 11 . 1 1 46 46 GLU HA H 46 3.951 3.951 4.042 -0.091 19045 7976 1 11 . 1 1 46 46 GLU CA C 46 58.956 58.956 59.097 -0.141 19045 7977 1 11 . 1 1 46 46 GLU CB C 46 29.166 29.166 28.918 0.248 19045 7978 1 11 . 1 1 46 46 GLU H H 46 7.781 7.781 8.228 -0.447 19045 7979 1 11 . 1 1 47 47 GLN N N 47 118.282 118.282 117.791 0.491 19045 7980 1 11 . 1 1 47 47 GLN HA H 47 3.800 3.800 4.220 -0.420 19045 7981 1 11 . 1 1 47 47 GLN CA C 47 57.892 57.892 58.064 -0.172 19045 7982 1 11 . 1 1 47 47 GLN CB C 47 28.662 28.662 28.107 0.555 19045 7983 1 11 . 1 1 47 47 GLN H H 47 7.775 7.775 7.604 0.171 19045 7984 1 11 . 1 1 48 48 GLU N N 48 118.519 118.519 115.824 2.695 19045 7985 1 11 . 1 1 48 48 GLU HA H 48 4.009 4.009 4.124 -0.115 19045 7986 1 11 . 1 1 48 48 GLU CA C 48 57.586 57.586 57.852 -0.266 19045 7987 1 11 . 1 1 48 48 GLU CB C 48 28.922 28.922 29.548 -0.626 19045 7988 1 11 . 1 1 48 48 GLU H H 48 7.721 7.721 7.651 0.070 19045 7989 1 11 . 1 1 49 49 ALA N N 49 121.657 121.657 122.327 -0.670 19045 7990 1 11 . 1 1 49 49 ALA HA H 49 4.140 4.140 4.264 -0.124 19045 7991 1 11 . 1 1 49 49 ALA CA C 49 53.389 53.389 53.341 0.048 19045 7992 1 11 . 1 1 49 49 ALA CB C 49 19.111 19.111 20.015 -0.904 19045 7993 1 11 . 1 1 49 49 ALA H H 49 7.675 7.675 7.967 -0.292 19045 7994 1 11 . 1 1 50 50 GLU N N 50 116.803 116.803 115.090 1.713 19045 7995 1 11 . 1 1 50 50 GLU HA H 50 4.182 4.182 4.545 -0.363 19045 7996 1 11 . 1 1 50 50 GLU CA C 50 56.420 56.420 55.028 1.393 19045 7997 1 11 . 1 1 50 50 GLU CB C 50 29.798 29.798 32.713 -2.915 19045 7998 1 11 . 1 1 50 50 GLU H H 50 8.106 8.106 7.843 0.263 19045 7999 1 11 . 1 1 51 51 GLY N N 51 109.812 109.812 107.549 2.263 19045 8000 1 11 . 1 1 51 51 GLY CA C 51 45.739 45.739 45.085 0.654 19045 8001 1 11 . 1 1 51 51 GLY H H 51 8.060 8.060 8.577 -0.517 19045 8002 1 11 . 1 1 52 52 VAL N N 52 118.668 118.668 115.847 2.821 19045 8003 1 11 . 1 1 52 52 VAL HA H 52 4.001 4.001 4.355 -0.354 19045 8004 1 11 . 1 1 52 52 VAL CA C 52 62.175 62.175 60.286 1.889 19045 8005 1 11 . 1 1 52 52 VAL CB C 52 32.294 32.294 33.241 -0.947 19045 8006 1 11 . 1 1 52 52 VAL H H 52 7.718 7.718 7.313 0.405 19045 8007 1 11 . 1 1 53 53 ALA N N 53 125.624 125.624 127.834 -2.210 19045 8008 1 11 . 1 1 53 53 ALA HA H 53 4.220 4.220 4.096 0.124 19045 8009 1 11 . 1 1 53 53 ALA CA C 53 51.869 51.869 52.521 -0.652 19045 8010 1 11 . 1 1 53 53 ALA CB C 53 19.065 19.065 17.474 1.591 19045 8011 1 11 . 1 1 53 53 ALA H H 53 8.073 8.073 8.641 -0.568 19045 8012 1 11 . 1 1 54 54 ALA N N 54 123.638 123.638 122.453 1.185 19045 8013 1 11 . 1 1 54 54 ALA HA H 54 4.472 4.472 4.714 -0.242 19045 8014 1 11 . 1 1 54 54 ALA CA C 54 49.869 49.869 50.287 -0.418 19045 8015 1 11 . 1 1 54 54 ALA CB C 54 18.488 18.488 19.367 -0.879 19045 8016 1 11 . 1 1 54 54 ALA H H 54 7.718 7.718 8.136 -0.418 19045 8017 1 11 . 1 1 55 55 PRO HA H 55 4.292 4.292 4.659 -0.367 19045 8018 1 11 . 1 1 55 55 PRO CA C 55 62.966 62.966 62.687 0.279 19045 8019 1 11 . 1 1 55 55 PRO CB C 55 31.754 31.754 32.447 -0.692 19045 8020 1 11 . 1 1 56 56 ALA N N 56 124.218 124.218 121.855 2.363 19045 8021 1 11 . 1 1 56 56 ALA HA H 56 4.220 4.220 3.874 0.346 19045 8022 1 11 . 1 1 56 56 ALA CB C 56 19.119 19.119 18.293 0.826 19045 8023 1 11 . 1 1 56 56 ALA H H 56 8.259 8.259 8.533 -0.274 19045 8024 1 11 . 1 1 57 57 ASP N N 57 120.884 120.884 121.484 -0.600 19045 8025 1 11 . 1 1 57 57 ASP HA H 57 4.572 4.572 4.611 -0.039 19045 8026 1 11 . 1 1 57 57 ASP CA C 57 52.742 52.742 53.928 -1.186 19045 8027 1 11 . 1 1 57 57 ASP CB C 57 41.642 41.642 41.679 -0.037 19045 8028 1 11 . 1 1 57 57 ASP H H 57 7.829 7.829 8.195 -0.366 19045 8029 1 11 . 1 1 58 58 PRO HA H 58 4.052 4.052 4.386 -0.334 19045 8030 1 11 . 1 1 58 58 PRO CA C 58 64.128 64.128 63.571 0.557 19045 8031 1 11 . 1 1 58 58 PRO CB C 58 31.989 31.989 30.730 1.259 19045 8032 1 11 . 1 1 59 59 GLU HA H 59 4.549 4.549 4.584 -0.035 19045 8033 1 11 . 1 1 59 59 GLU CA C 59 54.266 54.266 55.258 -0.992 19045 8034 1 11 . 1 1 59 59 GLU CB C 59 29.285 29.285 31.549 -2.264 19045 8035 1 11 . 1 1 60 60 MET HA H 60 3.846 3.846 4.363 -0.517 19045 8036 1 11 . 1 1 60 60 MET CA C 60 57.219 57.219 57.523 -0.304 19045 8037 1 11 . 1 1 60 60 MET CB C 60 31.894 31.894 32.485 -0.591 19045 8038 1 11 . 1 1 60 60 MET H H 60 7.070 7.070 8.719 -1.649 19045 8039 1 11 . 1 1 61 61 VAL N N 61 113.014 113.014 118.628 -5.614 19045 8040 1 11 . 1 1 61 61 VAL HA H 61 4.051 4.051 3.814 0.237 19045 8041 1 11 . 1 1 61 61 VAL CA C 61 62.799 62.799 63.611 -0.812 19045 8042 1 11 . 1 1 61 61 VAL CB C 61 31.993 31.993 31.576 0.417 19045 8043 1 11 . 1 1 61 61 VAL H H 61 6.833 6.833 7.798 -0.965 19045 8044 1 11 . 1 1 62 62 THR N N 62 110.188 110.188 111.020 -0.832 19045 8045 1 11 . 1 1 62 62 THR HA H 62 4.230 4.230 3.895 0.335 19045 8046 1 11 . 1 1 62 62 THR CA C 62 60.947 60.947 63.182 -2.235 19045 8047 1 11 . 1 1 62 62 THR CB C 62 69.192 69.192 68.478 0.715 19045 8048 1 11 . 1 1 62 62 THR H H 62 7.101 7.101 7.669 -0.568 19045 8049 1 11 . 1 1 63 63 LEU N N 63 125.158 125.158 123.310 1.848 19045 8050 1 11 . 1 1 63 63 LEU HA H 63 4.205 4.205 4.536 -0.331 19045 8051 1 11 . 1 1 63 63 LEU CA C 63 52.688 52.688 51.726 0.962 19045 8052 1 11 . 1 1 63 63 LEU CB C 63 42.252 42.252 41.906 0.346 19045 8053 1 11 . 1 1 63 63 LEU H H 63 7.079 7.079 8.204 -1.125 19045 8054 1 11 . 1 1 64 64 PRO HA H 64 4.282 4.282 4.477 -0.195 19045 8055 1 11 . 1 1 64 64 PRO CA C 64 62.613 62.613 62.526 0.087 19045 8056 1 11 . 1 1 64 64 PRO CB C 64 30.705 30.705 30.163 0.542 19045 8057 1 11 . 1 1 65 65 LEU N N 65 122.384 122.384 119.085 3.299 19045 8058 1 11 . 1 1 65 65 LEU HA H 65 4.234 4.234 4.980 -0.746 19045 8059 1 11 . 1 1 65 65 LEU CA C 65 54.499 54.499 52.174 2.325 19045 8060 1 11 . 1 1 65 65 LEU CB C 65 43.438 43.438 42.971 0.466 19045 8061 1 11 . 1 1 65 65 LEU H H 65 7.653 7.653 7.676 -0.023 19045 8062 1 11 . 1 1 66 66 GLN N N 66 121.802 121.802 119.447 2.355 19045 8063 1 11 . 1 1 66 66 GLN HA H 66 4.209 4.209 4.766 -0.557 19045 8064 1 11 . 1 1 66 66 GLN CA C 66 52.783 52.783 52.647 0.137 19045 8065 1 11 . 1 1 66 66 GLN CB C 66 28.136 28.136 29.240 -1.104 19045 8066 1 11 . 1 1 66 66 GLN H H 66 8.634 8.634 8.772 -0.138 19045 8067 1 11 . 1 1 67 67 PRO HA H 67 4.139 4.139 4.475 -0.336 19045 8068 1 11 . 1 1 67 67 PRO CA C 67 64.488 64.488 64.052 0.436 19045 8069 1 11 . 1 1 67 67 PRO CB C 67 32.003 32.003 31.989 0.014 19045 8070 1 11 . 1 1 68 68 SER N N 68 111.024 111.024 113.497 -2.473 19045 8071 1 11 . 1 1 68 68 SER HA H 68 4.313 4.313 4.582 -0.269 19045 8072 1 11 . 1 1 68 68 SER CA C 68 57.991 57.991 58.016 -0.025 19045 8073 1 11 . 1 1 68 68 SER CB C 68 63.252 63.252 63.498 -0.246 19045 8074 1 11 . 1 1 68 68 SER H H 68 8.119 8.119 7.977 0.142 19045 8075 1 11 . 1 1 69 69 SER N N 69 117.598 117.598 115.404 2.194 19045 8076 1 11 . 1 1 69 69 SER HA H 69 4.440 4.440 4.706 -0.266 19045 8077 1 11 . 1 1 69 69 SER CA C 69 57.518 57.518 57.205 0.313 19045 8078 1 11 . 1 1 69 69 SER CB C 69 64.587 64.587 65.266 -0.679 19045 8079 1 11 . 1 1 69 69 SER H H 69 7.723 7.723 7.501 0.222 19045 8080 1 11 . 1 1 70 70 THR N N 70 121.887 121.887 119.827 2.060 19045 8081 1 11 . 1 1 70 70 THR HA H 70 3.873 3.873 4.115 -0.242 19045 8082 1 11 . 1 1 70 70 THR CA C 70 66.723 66.723 66.241 0.482 19045 8083 1 11 . 1 1 70 70 THR CB C 70 68.385 68.385 68.706 -0.321 19045 8084 1 11 . 1 1 70 70 THR H H 70 8.827 8.827 8.724 0.103 19045 8085 1 11 . 1 1 71 71 MET N N 71 117.344 117.344 119.407 -2.063 19045 8086 1 11 . 1 1 71 71 MET HA H 71 4.469 4.469 4.067 0.402 19045 8087 1 11 . 1 1 71 71 MET CA C 71 56.260 56.260 59.375 -3.115 19045 8088 1 11 . 1 1 71 71 MET CB C 71 31.696 31.696 31.756 -0.060 19045 8089 1 11 . 1 1 71 71 MET H H 71 8.454 8.454 8.358 0.096 19045 8090 1 11 . 1 1 72 72 GLY N N 72 108.884 108.884 105.554 3.330 19045 8091 1 11 . 1 1 72 72 GLY CA C 72 46.884 46.884 46.768 0.116 19045 8092 1 11 . 1 1 72 72 GLY H H 72 7.979 7.979 7.771 0.208 19045 8093 1 11 . 1 1 73 73 GLN N N 73 121.522 121.522 121.253 0.269 19045 8094 1 11 . 1 1 73 73 GLN HA H 73 3.857 3.857 4.077 -0.220 19045 8095 1 11 . 1 1 73 73 GLN CA C 73 58.220 58.220 58.515 -0.295 19045 8096 1 11 . 1 1 73 73 GLN CB C 73 28.309 28.309 28.215 0.094 19045 8097 1 11 . 1 1 73 73 GLN H H 73 7.859 7.859 7.539 0.320 19045 8098 1 11 . 1 1 74 74 VAL N N 74 121.291 121.291 121.205 0.086 19045 8099 1 11 . 1 1 74 74 VAL HA H 74 3.359 3.359 3.612 -0.253 19045 8100 1 11 . 1 1 74 74 VAL CA C 74 67.150 67.150 67.170 -0.020 19045 8101 1 11 . 1 1 74 74 VAL CB C 74 31.249 31.249 31.199 0.050 19045 8102 1 11 . 1 1 74 74 VAL H H 74 8.155 8.155 8.261 -0.106 19045 8103 1 11 . 1 1 75 75 GLY N N 75 105.037 105.037 106.218 -1.181 19045 8104 1 11 . 1 1 75 75 GLY CA C 75 48.385 48.385 47.156 1.229 19045 8105 1 11 . 1 1 75 75 GLY H H 75 8.154 8.154 7.786 0.368 19045 8106 1 11 . 1 1 76 76 ARG N N 76 119.292 119.292 121.516 -2.224 19045 8107 1 11 . 1 1 76 76 ARG HA H 76 3.320 3.320 4.089 -0.769 19045 8108 1 11 . 1 1 76 76 ARG CA C 76 59.540 59.540 59.592 -0.052 19045 8109 1 11 . 1 1 76 76 ARG CB C 76 30.130 30.130 30.359 -0.229 19045 8110 1 11 . 1 1 76 76 ARG H H 76 7.512 7.512 7.291 0.221 19045 8111 1 11 . 1 1 77 77 GLN N N 77 118.008 118.008 118.944 -0.936 19045 8112 1 11 . 1 1 77 77 GLN HA H 77 3.951 3.951 4.112 -0.161 19045 8113 1 11 . 1 1 77 77 GLN CA C 77 58.337 58.337 58.673 -0.336 19045 8114 1 11 . 1 1 77 77 GLN CB C 77 27.512 27.512 28.166 -0.654 19045 8115 1 11 . 1 1 77 77 GLN H H 77 7.852 7.852 7.688 0.164 19045 8116 1 11 . 1 1 78 78 LEU N N 78 116.018 116.018 119.719 -3.701 19045 8117 1 11 . 1 1 78 78 LEU HA H 78 4.078 4.078 3.933 0.145 19045 8118 1 11 . 1 1 78 78 LEU CA C 78 57.391 57.391 58.226 -0.835 19045 8119 1 11 . 1 1 78 78 LEU CB C 78 40.999 40.999 41.678 -0.679 19045 8120 1 11 . 1 1 78 78 LEU H H 78 8.412 8.412 8.403 0.009 19045 8121 1 11 . 1 1 79 79 ALA N N 79 120.914 120.914 119.467 1.447 19045 8122 1 11 . 1 1 79 79 ALA HA H 79 3.896 3.896 4.162 -0.266 19045 8123 1 11 . 1 1 79 79 ALA CA C 79 54.789 54.789 54.904 -0.115 19045 8124 1 11 . 1 1 79 79 ALA CB C 79 17.880 17.880 18.380 -0.499 19045 8125 1 11 . 1 1 79 79 ALA H H 79 7.789 7.789 8.124 -0.335 19045 8126 1 11 . 1 1 80 80 ILE N N 80 117.984 117.984 117.222 0.762 19045 8127 1 11 . 1 1 80 80 ILE HA H 80 3.895 3.895 4.037 -0.142 19045 8128 1 11 . 1 1 80 80 ILE CA C 80 63.576 63.576 64.326 -0.750 19045 8129 1 11 . 1 1 80 80 ILE CB C 80 38.607 38.607 38.630 -0.024 19045 8130 1 11 . 1 1 80 80 ILE H H 80 7.690 7.690 7.496 0.194 19045 8131 1 11 . 1 1 81 81 ILE HA H 81 3.984 3.984 4.015 -0.031 19045 8132 1 11 . 1 1 81 81 ILE CA C 81 63.608 63.608 63.649 -0.041 19045 8133 1 11 . 1 1 81 81 ILE CB C 81 37.587 37.587 37.486 0.101 19045 8134 1 11 . 1 1 81 81 ILE H H 81 7.910 7.910 8.258 -0.348 19045 8135 1 11 . 1 1 82 82 GLY CA C 82 45.566 45.566 44.619 0.947 19045 8136 1 11 . 1 1 82 82 GLY H H 82 7.765 7.765 8.165 -0.400 19045 8137 1 11 . 1 1 83 83 ASP N N 83 119.914 119.914 123.488 -3.574 19045 8138 1 11 . 1 1 83 83 ASP HA H 83 4.332 4.332 4.437 -0.105 19045 8139 1 11 . 1 1 83 83 ASP CA C 83 58.161 58.161 58.542 -0.381 19045 8140 1 11 . 1 1 83 83 ASP CB C 83 41.771 41.771 41.251 0.520 19045 8141 1 11 . 1 1 83 83 ASP H H 83 7.400 7.400 7.828 -0.428 19045 8142 1 11 . 1 1 84 84 ASP N N 84 116.566 116.566 119.225 -2.659 19045 8143 1 11 . 1 1 84 84 ASP HA H 84 4.200 4.200 4.409 -0.209 19045 8144 1 11 . 1 1 84 84 ASP CA C 84 57.270 57.270 57.573 -0.303 19045 8145 1 11 . 1 1 84 84 ASP CB C 84 40.593 40.593 40.406 0.187 19045 8146 1 11 . 1 1 84 84 ASP H H 84 8.523 8.523 8.420 0.103 19045 8147 1 11 . 1 1 85 85 ILE N N 85 120.454 120.454 118.915 1.539 19045 8148 1 11 . 1 1 85 85 ILE HA H 85 3.753 3.753 3.865 -0.112 19045 8149 1 11 . 1 1 85 85 ILE CA C 85 63.782 63.782 64.799 -1.016 19045 8150 1 11 . 1 1 85 85 ILE CB C 85 37.546 37.546 37.420 0.126 19045 8151 1 11 . 1 1 85 85 ILE H H 85 7.707 7.707 7.916 -0.209 19045 8152 1 11 . 1 1 86 86 ASN N N 86 118.583 118.583 118.819 -0.236 19045 8153 1 11 . 1 1 86 86 ASN HA H 86 4.472 4.472 4.463 0.009 19045 8154 1 11 . 1 1 86 86 ASN CA C 86 56.087 56.087 56.500 -0.413 19045 8155 1 11 . 1 1 86 86 ASN CB C 86 37.614 37.614 38.781 -1.167 19045 8156 1 11 . 1 1 86 86 ASN H H 86 8.440 8.440 8.352 0.088 19045 8157 1 11 . 1 1 87 87 ARG N N 87 117.819 117.819 117.951 -0.132 19045 8158 1 11 . 1 1 87 87 ARG HA H 87 4.043 4.043 4.113 -0.070 19045 8159 1 11 . 1 1 87 87 ARG CA C 87 59.035 59.035 58.307 0.728 19045 8160 1 11 . 1 1 87 87 ARG CB C 87 29.845 29.845 29.533 0.312 19045 8161 1 11 . 1 1 87 87 ARG H H 87 8.214 8.214 8.037 0.177 19045 8162 1 11 . 1 1 88 88 ARG N N 88 117.971 117.971 119.911 -1.940 19045 8163 1 11 . 1 1 88 88 ARG HA H 88 3.965 3.965 3.932 0.033 19045 8164 1 11 . 1 1 88 88 ARG CA C 88 58.161 58.161 59.341 -1.180 19045 8165 1 11 . 1 1 88 88 ARG CB C 88 30.376 30.376 30.502 -0.126 19045 8166 1 11 . 1 1 88 88 ARG H H 88 7.438 7.438 7.965 -0.527 19045 8167 1 11 . 1 1 89 89 TYR N N 89 114.591 114.591 113.502 1.089 19045 8168 1 11 . 1 1 89 89 TYR HA H 89 4.753 4.753 4.679 0.074 19045 8169 1 11 . 1 1 89 89 TYR CA C 89 59.481 59.481 57.117 2.364 19045 8170 1 11 . 1 1 89 89 TYR CB C 89 39.610 39.610 37.334 2.276 19045 8171 1 11 . 1 1 89 89 TYR H H 89 7.635 7.635 8.102 -0.467 19045 8172 1 11 . 1 1 90 90 ASP HA H 90 4.820 4.820 4.629 0.191 19045 8173 1 11 . 1 1 90 90 ASP CA C 90 58.200 58.200 57.249 0.951 19045 8174 1 11 . 1 1 90 90 ASP CB C 90 41.407 41.407 41.424 -0.017 19045 8175 1 11 . 1 1 90 90 ASP H H 90 8.282 8.282 7.567 0.715 19045 8176 1 11 . 1 1 91 91 SER N N 91 115.266 115.266 116.261 -0.995 19045 8177 1 11 . 1 1 91 91 SER HA H 91 4.170 4.170 4.196 -0.026 19045 8178 1 11 . 1 1 91 91 SER CA C 91 61.780 61.780 62.051 -0.271 19045 8179 1 11 . 1 1 91 91 SER CB C 91 61.891 61.891 63.235 -1.344 19045 8180 1 11 . 1 1 91 91 SER H H 91 8.717 8.717 8.184 0.533 19045 8181 1 11 . 1 1 92 92 GLU N N 92 122.093 122.093 121.050 1.043 19045 8182 1 11 . 1 1 92 92 GLU HA H 92 4.056 4.056 4.086 -0.030 19045 8183 1 11 . 1 1 92 92 GLU CA C 92 58.928 58.928 59.279 -0.351 19045 8184 1 11 . 1 1 92 92 GLU CB C 92 29.796 29.796 29.491 0.305 19045 8185 1 11 . 1 1 92 92 GLU H H 92 8.025 8.025 8.832 -0.807 19045 8186 1 11 . 1 1 93 93 PHE HA H 93 4.171 4.171 4.501 -0.330 19045 8187 1 11 . 1 1 93 93 PHE CA C 93 60.704 60.704 58.718 1.986 19045 8188 1 11 . 1 1 93 93 PHE CB C 93 38.780 38.780 39.753 -0.973 19045 8189 1 11 . 1 1 93 93 PHE H H 93 7.801 7.801 7.478 0.323 19045 8190 1 11 . 1 1 94 94 GLN N N 94 118.578 118.578 120.207 -1.629 19045 8191 1 11 . 1 1 94 94 GLN HA H 94 3.847 3.847 3.790 0.057 19045 8192 1 11 . 1 1 94 94 GLN CA C 94 59.981 59.981 59.386 0.595 19045 8193 1 11 . 1 1 94 94 GLN CB C 94 28.415 28.415 28.870 -0.455 19045 8194 1 11 . 1 1 94 94 GLN H H 94 8.609 8.609 8.509 0.100 19045 8195 1 11 . 1 1 95 95 THR N N 95 116.128 116.128 116.332 -0.204 19045 8196 1 11 . 1 1 95 95 THR HA H 95 3.811 3.811 3.984 -0.173 19045 8197 1 11 . 1 1 95 95 THR CA C 95 66.391 66.391 66.632 -0.241 19045 8198 1 11 . 1 1 95 95 THR CB C 95 68.361 68.361 68.697 -0.336 19045 8199 1 11 . 1 1 95 95 THR H H 95 7.826 7.826 8.508 -0.682 19045 8200 1 11 . 1 1 96 96 MET N N 96 120.474 120.474 117.721 2.753 19045 8201 1 11 . 1 1 96 96 MET HA H 96 3.933 3.933 3.360 0.573 19045 8202 1 11 . 1 1 96 96 MET CA C 96 59.949 59.949 57.610 2.339 19045 8203 1 11 . 1 1 96 96 MET CB C 96 33.087 33.087 31.944 1.143 19045 8204 1 11 . 1 1 96 96 MET H H 96 7.728 7.728 7.403 0.325 19045 8205 1 11 . 1 1 97 97 LEU N N 97 118.904 118.904 121.718 -2.814 19045 8206 1 11 . 1 1 97 97 LEU HA H 97 3.604 3.604 3.588 0.016 19045 8207 1 11 . 1 1 97 97 LEU CA C 97 57.771 57.771 57.898 -0.127 19045 8208 1 11 . 1 1 97 97 LEU CB C 97 40.836 40.836 41.036 -0.200 19045 8209 1 11 . 1 1 97 97 LEU H H 97 8.112 8.112 7.506 0.606 19045 8210 1 11 . 1 1 98 98 GLN N N 98 116.798 116.798 116.903 -0.105 19045 8211 1 11 . 1 1 98 98 GLN HA H 98 4.003 4.003 4.059 -0.056 19045 8212 1 11 . 1 1 98 98 GLN CA C 98 58.337 58.337 58.463 -0.126 19045 8213 1 11 . 1 1 98 98 GLN CB C 98 27.659 27.659 28.743 -1.084 19045 8214 1 11 . 1 1 98 98 GLN H H 98 7.754 7.754 7.960 -0.206 19045 8215 1 11 . 1 1 99 99 HIS N N 99 115.943 115.943 117.038 -1.095 19045 8216 1 11 . 1 1 99 99 HIS HA H 99 4.442 4.442 4.281 0.161 19045 8217 1 11 . 1 1 99 99 HIS CA C 99 57.025 57.025 57.097 -0.072 19045 8218 1 11 . 1 1 99 99 HIS CB C 99 28.848 28.848 30.118 -1.270 19045 8219 1 11 . 1 1 99 99 HIS H H 99 7.504 7.504 7.766 -0.262 19045 8220 1 11 . 1 1 100 100 LEU N N 100 121.347 121.347 119.473 1.874 19045 8221 1 11 . 1 1 100 100 LEU HA H 100 3.803 3.803 3.994 -0.191 19045 8222 1 11 . 1 1 100 100 LEU CA C 100 56.801 56.801 56.657 0.144 19045 8223 1 11 . 1 1 100 100 LEU CB C 100 42.563 42.563 42.811 -0.248 19045 8224 1 11 . 1 1 100 100 LEU H H 100 8.013 8.013 7.550 0.463 19045 8225 1 11 . 1 1 101 101 GLN N N 101 110.029 110.029 114.207 -4.178 19045 8226 1 11 . 1 1 101 101 GLN HA H 101 4.003 4.003 4.046 -0.043 19045 8227 1 11 . 1 1 101 101 GLN CA C 101 55.685 55.685 55.326 0.359 19045 8228 1 11 . 1 1 101 101 GLN CB C 101 27.301 27.301 26.315 0.986 19045 8229 1 11 . 1 1 101 101 GLN H H 101 7.763 7.763 7.818 -0.055 19045 8230 1 11 . 1 1 102 102 PRO HA H 102 4.926 4.926 4.155 0.771 19045 8231 1 11 . 1 1 102 102 PRO CA C 102 62.372 62.372 62.909 -0.537 19045 8232 1 11 . 1 1 102 102 PRO CB C 102 31.963 31.963 32.196 -0.233 19045 8233 1 11 . 1 1 103 103 THR N N 103 114.119 114.119 108.048 6.071 19045 8234 1 11 . 1 1 103 103 THR HA H 103 4.420 4.420 4.596 -0.176 19045 8235 1 11 . 1 1 103 103 THR CA C 103 58.716 58.716 59.491 -0.775 19045 8236 1 11 . 1 1 103 103 THR CB C 103 72.929 72.929 72.007 0.922 19045 8237 1 11 . 1 1 103 103 THR H H 103 9.386 9.386 8.122 1.264 19045 8238 1 11 . 1 1 104 104 ALA N N 104 120.374 120.374 122.203 -1.829 19045 8239 1 11 . 1 1 104 104 ALA HA H 104 3.737 3.737 4.645 -0.908 19045 8240 1 11 . 1 1 104 104 ALA CA C 104 54.782 54.782 54.450 0.332 19045 8241 1 11 . 1 1 104 104 ALA CB C 104 18.050 18.050 18.671 -0.621 19045 8242 1 11 . 1 1 104 104 ALA H H 104 8.723 8.723 8.560 0.163 19045 8243 1 11 . 1 1 105 105 GLU N N 105 113.834 113.834 115.824 -1.990 19045 8244 1 11 . 1 1 105 105 GLU HA H 105 4.122 4.122 4.322 -0.200 19045 8245 1 11 . 1 1 105 105 GLU CA C 105 58.707 58.707 58.666 0.041 19045 8246 1 11 . 1 1 105 105 GLU CB C 105 29.445 29.445 29.391 0.054 19045 8247 1 11 . 1 1 105 105 GLU H H 105 7.969 7.969 8.516 -0.547 19045 8248 1 11 . 1 1 106 106 ASN N N 106 114.135 114.135 117.077 -2.942 19045 8249 1 11 . 1 1 106 106 ASN HA H 106 4.781 4.781 4.362 0.419 19045 8250 1 11 . 1 1 106 106 ASN CA C 106 52.222 52.222 52.416 -0.195 19045 8251 1 11 . 1 1 106 106 ASN CB C 106 38.983 38.983 39.013 -0.030 19045 8252 1 11 . 1 1 106 106 ASN H H 106 7.151 7.151 7.757 -0.606 19045 8253 1 11 . 1 1 107 107 ALA N N 107 121.280 121.280 122.947 -1.667 19045 8254 1 11 . 1 1 107 107 ALA HA H 107 3.858 3.858 4.245 -0.387 19045 8255 1 11 . 1 1 107 107 ALA CA C 107 56.988 56.988 55.762 1.226 19045 8256 1 11 . 1 1 107 107 ALA CB C 107 18.278 18.278 18.926 -0.648 19045 8257 1 11 . 1 1 107 107 ALA H H 107 7.940 7.940 8.011 -0.071 19045 8258 1 11 . 1 1 108 108 TYR N N 108 117.339 117.339 115.732 1.607 19045 8259 1 11 . 1 1 108 108 TYR HA H 108 3.048 3.048 3.784 -0.736 19045 8260 1 11 . 1 1 108 108 TYR CA C 108 60.578 60.578 59.950 0.628 19045 8261 1 11 . 1 1 108 108 TYR CB C 108 36.804 36.804 36.421 0.383 19045 8262 1 11 . 1 1 108 108 TYR H H 108 8.783 8.783 7.707 1.076 19045 8263 1 11 . 1 1 109 109 GLU N N 109 123.316 123.316 119.824 3.492 19045 8264 1 11 . 1 1 109 109 GLU HA H 109 3.681 3.681 3.773 -0.092 19045 8265 1 11 . 1 1 109 109 GLU CA C 109 59.152 59.152 58.366 0.786 19045 8266 1 11 . 1 1 109 109 GLU CB C 109 28.782 28.782 28.886 -0.103 19045 8267 1 11 . 1 1 109 109 GLU H H 109 8.084 8.084 7.247 0.837 19045 8268 1 11 . 1 1 110 110 TYR N N 110 117.254 117.254 117.967 -0.713 19045 8269 1 11 . 1 1 110 110 TYR HA H 110 4.339 4.339 4.266 0.073 19045 8270 1 11 . 1 1 110 110 TYR CA C 110 58.527 58.527 60.038 -1.511 19045 8271 1 11 . 1 1 110 110 TYR CB C 110 36.323 36.323 38.421 -2.098 19045 8272 1 11 . 1 1 110 110 TYR H H 110 8.282 8.282 7.717 0.565 19045 8273 1 11 . 1 1 111 111 PHE N N 111 119.028 119.028 120.803 -1.775 19045 8274 1 11 . 1 1 111 111 PHE HA H 111 3.889 3.889 4.170 -0.281 19045 8275 1 11 . 1 1 111 111 PHE CA C 111 62.350 62.350 61.556 0.794 19045 8276 1 11 . 1 1 111 111 PHE CB C 111 39.369 39.369 39.165 0.204 19045 8277 1 11 . 1 1 111 111 PHE H H 111 9.197 9.197 9.052 0.145 19045 8278 1 11 . 1 1 112 112 THR N N 112 113.669 113.669 112.393 1.276 19045 8279 1 11 . 1 1 112 112 THR HA H 112 3.411 3.411 3.254 0.157 19045 8280 1 11 . 1 1 112 112 THR CA C 112 67.185 67.185 66.309 0.876 19045 8281 1 11 . 1 1 112 112 THR CB C 112 68.294 68.294 67.875 0.419 19045 8282 1 11 . 1 1 112 112 THR H H 112 8.315 8.315 8.355 -0.040 19045 8283 1 11 . 1 1 113 113 LYS N N 113 124.090 124.090 121.931 2.159 19045 8284 1 11 . 1 1 113 113 LYS HA H 113 3.854 3.854 4.105 -0.251 19045 8285 1 11 . 1 1 113 113 LYS CA C 113 60.416 60.416 58.840 1.576 19045 8286 1 11 . 1 1 113 113 LYS CB C 113 33.219 33.219 31.999 1.220 19045 8287 1 11 . 1 1 113 113 LYS H H 113 8.335 8.335 7.216 1.119 19045 8288 1 11 . 1 1 114 114 ILE N N 114 120.457 120.457 119.478 0.979 19045 8289 1 11 . 1 1 114 114 ILE HA H 114 3.145 3.145 3.646 -0.501 19045 8290 1 11 . 1 1 114 114 ILE CA C 114 65.550 65.550 63.220 2.330 19045 8291 1 11 . 1 1 114 114 ILE CB C 114 37.402 37.402 36.167 1.235 19045 8292 1 11 . 1 1 114 114 ILE H H 114 8.042 8.042 7.800 0.242 19045 8293 1 11 . 1 1 115 115 ALA N N 115 121.066 121.066 121.966 -0.900 19045 8294 1 11 . 1 1 115 115 ALA HA H 115 3.219 3.219 3.949 -0.730 19045 8295 1 11 . 1 1 115 115 ALA CA C 115 54.940 54.940 55.505 -0.565 19045 8296 1 11 . 1 1 115 115 ALA CB C 115 16.345 16.345 17.641 -1.296 19045 8297 1 11 . 1 1 115 115 ALA H H 115 8.208 8.208 7.986 0.222 19045 8298 1 11 . 1 1 116 116 THR N N 116 112.803 112.803 114.901 -2.098 19045 8299 1 11 . 1 1 116 116 THR HA H 116 3.808 3.808 4.300 -0.492 19045 8300 1 11 . 1 1 116 116 THR CA C 116 67.557 67.557 66.119 1.438 19045 8301 1 11 . 1 1 116 116 THR CB C 116 68.431 68.431 68.521 -0.090 19045 8302 1 11 . 1 1 116 116 THR H H 116 7.893 7.893 7.982 -0.089 19045 8303 1 11 . 1 1 117 117 SER N N 117 115.935 115.935 115.343 0.592 19045 8304 1 11 . 1 1 117 117 SER HA H 117 4.070 4.070 4.359 -0.289 19045 8305 1 11 . 1 1 117 117 SER CA C 117 61.879 61.879 61.173 0.706 19045 8306 1 11 . 1 1 117 117 SER CB C 117 62.907 62.907 63.340 -0.433 19045 8307 1 11 . 1 1 117 117 SER H H 117 7.139 7.139 7.878 -0.739 19045 8308 1 11 . 1 1 118 118 LEU N N 118 123.462 123.462 121.819 1.643 19045 8309 1 11 . 1 1 118 118 LEU HA H 118 3.596 3.596 3.942 -0.346 19045 8310 1 11 . 1 1 118 118 LEU CA C 118 58.014 58.014 57.378 0.636 19045 8311 1 11 . 1 1 118 118 LEU CB C 118 41.687 41.687 42.042 -0.355 19045 8312 1 11 . 1 1 118 118 LEU H H 118 7.844 7.844 7.615 0.229 19045 8313 1 11 . 1 1 119 119 PHE N N 119 110.270 110.270 114.951 -4.681 19045 8314 1 11 . 1 1 119 119 PHE HA H 119 4.721 4.721 4.587 0.134 19045 8315 1 11 . 1 1 119 119 PHE CA C 119 58.698 58.698 59.188 -0.490 19045 8316 1 11 . 1 1 119 119 PHE CB C 119 38.838 38.838 38.409 0.429 19045 8317 1 11 . 1 1 119 119 PHE H H 119 6.878 6.878 8.338 -1.460 19045 8318 1 11 . 1 1 120 120 GLU N N 120 123.135 123.135 118.577 4.558 19045 8319 1 11 . 1 1 120 120 GLU HA H 120 4.016 4.016 4.107 -0.091 19045 8320 1 11 . 1 1 120 120 GLU CA C 120 59.532 59.532 58.978 0.554 19045 8321 1 11 . 1 1 120 120 GLU CB C 120 29.337 29.337 29.141 0.196 19045 8322 1 11 . 1 1 120 120 GLU H H 120 7.551 7.551 8.024 -0.473 19045 8323 1 11 . 1 1 121 121 SER N N 121 107.983 107.983 113.903 -5.920 19045 8324 1 11 . 1 1 121 121 SER HA H 121 4.522 4.522 4.420 0.102 19045 8325 1 11 . 1 1 121 121 SER CA C 121 57.342 57.342 59.597 -2.255 19045 8326 1 11 . 1 1 121 121 SER CB C 121 63.353 63.353 64.488 -1.135 19045 8327 1 11 . 1 1 121 121 SER H H 121 7.712 7.712 7.697 0.015 19045 8328 1 11 . 1 1 122 122 GLY N N 122 110.748 110.748 106.861 3.887 19045 8329 1 11 . 1 1 122 122 GLY CA C 122 44.419 44.419 44.985 -0.566 19045 8330 1 11 . 1 1 122 122 GLY H H 122 7.317 7.317 7.753 -0.436 19045 8331 1 11 . 1 1 123 123 ILE N N 123 117.061 117.061 119.294 -2.233 19045 8332 1 11 . 1 1 123 123 ILE HA H 123 3.724 3.724 4.273 -0.549 19045 8333 1 11 . 1 1 123 123 ILE CA C 123 61.383 61.383 60.309 1.074 19045 8334 1 11 . 1 1 123 123 ILE CB C 123 40.588 40.588 38.970 1.618 19045 8335 1 11 . 1 1 123 123 ILE H H 123 7.963 7.963 8.310 -0.347 19045 8336 1 11 . 1 1 124 124 ASN N N 124 117.915 117.915 123.170 -5.255 19045 8337 1 11 . 1 1 124 124 ASN HA H 124 4.204 4.204 4.867 -0.663 19045 8338 1 11 . 1 1 124 124 ASN CA C 124 51.886 51.886 52.248 -0.362 19045 8339 1 11 . 1 1 124 124 ASN CB C 124 39.033 39.033 40.948 -1.915 19045 8340 1 11 . 1 1 124 124 ASN H H 124 6.434 6.434 7.935 -1.501 19045 8341 1 11 . 1 1 125 125 TRP N N 125 119.673 119.673 123.325 -3.652 19045 8342 1 11 . 1 1 125 125 TRP HA H 125 4.470 4.470 4.506 -0.036 19045 8343 1 11 . 1 1 125 125 TRP CA C 125 61.257 61.257 60.903 0.354 19045 8344 1 11 . 1 1 125 125 TRP CB C 125 30.287 30.287 29.598 0.689 19045 8345 1 11 . 1 1 125 125 TRP H H 125 8.824 8.824 9.034 -0.210 19045 8346 1 11 . 1 1 126 126 GLY N N 126 107.516 107.516 105.799 1.717 19045 8347 1 11 . 1 1 126 126 GLY CA C 126 48.294 48.294 47.240 1.054 19045 8348 1 11 . 1 1 126 126 GLY H H 126 9.118 9.118 8.733 0.385 19045 8349 1 11 . 1 1 127 127 ARG N N 127 119.610 119.610 121.969 -2.359 19045 8350 1 11 . 1 1 127 127 ARG HA H 127 3.742 3.742 3.956 -0.214 19045 8351 1 11 . 1 1 127 127 ARG CA C 127 59.551 59.551 59.098 0.453 19045 8352 1 11 . 1 1 127 127 ARG CB C 127 31.163 31.163 29.820 1.343 19045 8353 1 11 . 1 1 127 127 ARG H H 127 8.616 8.616 7.348 1.268 19045 8354 1 11 . 1 1 128 128 VAL N N 128 120.289 120.289 119.411 0.878 19045 8355 1 11 . 1 1 128 128 VAL HA H 128 3.662 3.662 3.960 -0.298 19045 8356 1 11 . 1 1 128 128 VAL CA C 128 68.387 68.387 66.660 1.727 19045 8357 1 11 . 1 1 128 128 VAL CB C 128 31.127 31.127 31.354 -0.227 19045 8358 1 11 . 1 1 128 128 VAL H H 128 7.762 7.762 7.984 -0.222 19045 8359 1 11 . 1 1 129 129 VAL N N 129 119.577 119.577 119.756 -0.179 19045 8360 1 11 . 1 1 129 129 VAL HA H 129 3.449 3.449 3.620 -0.171 19045 8361 1 11 . 1 1 129 129 VAL CA C 129 67.772 67.772 66.619 1.153 19045 8362 1 11 . 1 1 129 129 VAL CB C 129 30.918 30.918 31.517 -0.599 19045 8363 1 11 . 1 1 129 129 VAL H H 129 8.433 8.433 7.636 0.797 19045 8364 1 11 . 1 1 130 130 ALA N N 130 123.330 123.330 123.268 0.062 19045 8365 1 11 . 1 1 130 130 ALA HA H 130 4.069 4.069 4.103 -0.034 19045 8366 1 11 . 1 1 130 130 ALA CA C 130 54.978 54.978 55.304 -0.327 19045 8367 1 11 . 1 1 130 130 ALA CB C 130 17.446 17.446 18.271 -0.825 19045 8368 1 11 . 1 1 130 130 ALA H H 130 8.766 8.766 7.914 0.852 19045 8369 1 11 . 1 1 131 131 LEU N N 131 120.040 120.040 119.080 0.960 19045 8370 1 11 . 1 1 131 131 LEU HA H 131 3.961 3.961 4.468 -0.507 19045 8371 1 11 . 1 1 131 131 LEU CA C 131 58.353 58.353 58.497 -0.144 19045 8372 1 11 . 1 1 131 131 LEU CB C 131 40.750 40.750 42.335 -1.585 19045 8373 1 11 . 1 1 131 131 LEU H H 131 8.178 8.178 8.321 -0.143 19045 8374 1 11 . 1 1 132 132 LEU N N 132 119.150 119.150 117.403 1.747 19045 8375 1 11 . 1 1 132 132 LEU HA H 132 3.952 3.952 4.398 -0.446 19045 8376 1 11 . 1 1 132 132 LEU CA C 132 58.620 58.620 57.489 1.131 19045 8377 1 11 . 1 1 132 132 LEU CB C 132 38.835 38.835 41.124 -2.289 19045 8378 1 11 . 1 1 132 132 LEU H H 132 7.927 7.927 7.699 0.228 19045 8379 1 11 . 1 1 133 133 GLY N N 133 107.066 107.066 108.488 -1.422 19045 8380 1 11 . 1 1 133 133 GLY CA C 133 48.339 48.339 47.826 0.513 19045 8381 1 11 . 1 1 133 133 GLY H H 133 8.752 8.752 8.391 0.361 19045 8382 1 11 . 1 1 134 134 PHE N N 134 123.521 123.521 121.285 2.236 19045 8383 1 11 . 1 1 134 134 PHE HA H 134 4.601 4.601 4.672 -0.071 19045 8384 1 11 . 1 1 134 134 PHE CA C 134 59.884 59.884 58.604 1.280 19045 8385 1 11 . 1 1 134 134 PHE CB C 134 38.622 38.622 38.764 -0.142 19045 8386 1 11 . 1 1 134 134 PHE H H 134 8.606 8.606 8.648 -0.042 19045 8387 1 11 . 1 1 135 135 GLY N N 135 106.412 106.412 109.588 -3.176 19045 8388 1 11 . 1 1 135 135 GLY CA C 135 47.731 47.731 47.228 0.503 19045 8389 1 11 . 1 1 135 135 GLY H H 135 8.715 8.715 7.892 0.823 19045 8390 1 11 . 1 1 136 136 TYR N N 136 121.461 121.461 123.640 -2.179 19045 8391 1 11 . 1 1 136 136 TYR HA H 136 4.116 4.116 4.315 -0.199 19045 8392 1 11 . 1 1 136 136 TYR CA C 136 61.564 61.564 59.829 1.735 19045 8393 1 11 . 1 1 136 136 TYR CB C 136 38.469 38.469 38.414 0.055 19045 8394 1 11 . 1 1 136 136 TYR H H 136 8.809 8.809 8.190 0.619 19045 8395 1 11 . 1 1 137 137 ARG N N 137 117.518 117.518 119.778 -2.260 19045 8396 1 11 . 1 1 137 137 ARG HA H 137 3.647 3.647 3.836 -0.189 19045 8397 1 11 . 1 1 137 137 ARG CA C 137 58.904 58.904 59.658 -0.754 19045 8398 1 11 . 1 1 137 137 ARG CB C 137 29.189 29.189 30.055 -0.866 19045 8399 1 11 . 1 1 137 137 ARG H H 137 8.646 8.646 7.695 0.951 19045 8400 1 11 . 1 1 138 138 LEU N N 138 121.658 121.658 119.429 2.229 19045 8401 1 11 . 1 1 138 138 LEU HA H 138 3.905 3.905 4.069 -0.164 19045 8402 1 11 . 1 1 138 138 LEU CA C 138 58.454 58.454 58.192 0.262 19045 8403 1 11 . 1 1 138 138 LEU CB C 138 41.801 41.801 42.210 -0.409 19045 8404 1 11 . 1 1 138 138 LEU H H 138 9.065 9.065 8.376 0.689 19045 8405 1 11 . 1 1 139 139 ALA N N 139 120.012 120.012 121.714 -1.702 19045 8406 1 11 . 1 1 139 139 ALA HA H 139 4.004 4.004 4.389 -0.385 19045 8407 1 11 . 1 1 139 139 ALA CA C 139 55.174 55.174 55.254 -0.080 19045 8408 1 11 . 1 1 139 139 ALA CB C 139 17.943 17.943 18.484 -0.541 19045 8409 1 11 . 1 1 139 139 ALA H H 139 8.237 8.237 7.925 0.312 19045 8410 1 11 . 1 1 140 140 LEU N N 140 119.522 119.522 119.196 0.326 19045 8411 1 11 . 1 1 140 140 LEU HA H 140 4.000 4.000 4.148 -0.148 19045 8412 1 11 . 1 1 140 140 LEU CA C 140 57.805 57.805 57.683 0.122 19045 8413 1 11 . 1 1 140 140 LEU CB C 140 42.324 42.324 41.867 0.457 19045 8414 1 11 . 1 1 140 140 LEU H H 140 8.191 8.191 8.355 -0.164 19045 8415 1 11 . 1 1 141 141 HIS N N 141 117.834 117.834 116.751 1.083 19045 8416 1 11 . 1 1 141 141 HIS HA H 141 4.183 4.183 4.317 -0.134 19045 8417 1 11 . 1 1 141 141 HIS CA C 141 60.960 60.960 59.516 1.444 19045 8418 1 11 . 1 1 141 141 HIS CB C 141 31.708 31.708 30.686 1.022 19045 8419 1 11 . 1 1 141 141 HIS H H 141 8.253 8.253 8.220 0.033 19045 8420 1 11 . 1 1 142 142 VAL N N 142 113.700 113.700 113.822 -0.122 19045 8421 1 11 . 1 1 142 142 VAL HA H 142 3.887 3.887 4.189 -0.302 19045 8422 1 11 . 1 1 142 142 VAL CA C 142 65.948 65.948 63.572 2.376 19045 8423 1 11 . 1 1 142 142 VAL CB C 142 30.264 30.264 32.382 -2.118 19045 8424 1 11 . 1 1 142 142 VAL H H 142 8.455 8.455 7.429 1.026 19045 8425 1 11 . 1 1 143 143 TYR N N 143 123.307 123.307 122.237 1.070 19045 8426 1 11 . 1 1 143 143 TYR HA H 143 4.320 4.320 4.068 0.252 19045 8427 1 11 . 1 1 143 143 TYR CA C 143 61.934 61.934 61.539 0.395 19045 8428 1 11 . 1 1 143 143 TYR CB C 143 38.779 38.779 38.668 0.111 19045 8429 1 11 . 1 1 143 143 TYR H H 143 7.750 7.750 8.353 -0.603 19045 8430 1 11 . 1 1 144 144 GLN N N 144 118.560 118.560 117.958 0.602 19045 8431 1 11 . 1 1 144 144 GLN HA H 144 3.686 3.686 3.985 -0.299 19045 8432 1 11 . 1 1 144 144 GLN CA C 144 58.055 58.055 58.367 -0.312 19045 8433 1 11 . 1 1 144 144 GLN CB C 144 27.859 27.859 28.507 -0.648 19045 8434 1 11 . 1 1 144 144 GLN H H 144 8.486 8.486 8.159 0.327 19045 8435 1 11 . 1 1 145 145 HIS N N 145 114.312 114.312 117.110 -2.798 19045 8436 1 11 . 1 1 145 145 HIS HA H 145 4.330 4.330 4.545 -0.215 19045 8437 1 11 . 1 1 145 145 HIS CA C 145 56.178 56.178 56.332 -0.154 19045 8438 1 11 . 1 1 145 145 HIS CB C 145 27.751 27.751 30.852 -3.101 19045 8439 1 11 . 1 1 145 145 HIS H H 145 7.350 7.350 7.553 -0.203 19045 8440 1 11 . 1 1 146 146 GLY N N 146 106.537 106.537 106.584 -0.047 19045 8441 1 11 . 1 1 146 146 GLY CA C 146 45.715 45.715 44.587 1.128 19045 8442 1 11 . 1 1 146 146 GLY H H 146 7.471 7.471 7.218 0.253 19045 8443 1 11 . 1 1 147 147 LEU N N 147 123.302 123.302 124.204 -0.902 19045 8444 1 11 . 1 1 147 147 LEU HA H 147 4.496 4.496 4.546 -0.050 19045 8445 1 11 . 1 1 147 147 LEU CA C 147 54.259 54.259 54.694 -0.436 19045 8446 1 11 . 1 1 147 147 LEU CB C 147 41.033 41.033 43.810 -2.777 19045 8447 1 11 . 1 1 147 147 LEU H H 147 7.933 7.933 8.274 -0.341 19045 8448 1 11 . 1 1 148 148 THR HA H 148 4.523 4.523 4.215 0.308 19045 8449 1 11 . 1 1 148 148 THR CA C 148 61.027 61.027 63.057 -2.030 19045 8450 1 11 . 1 1 148 148 THR CB C 148 70.359 70.359 67.734 2.625 19045 8451 1 11 . 1 1 149 149 GLY CA C 149 47.016 47.016 44.837 2.179 19045 8452 1 11 . 1 1 149 149 GLY H H 149 8.458 8.458 8.868 -0.410 19045 8453 1 11 . 1 1 150 150 PHE N N 150 123.408 123.408 119.778 3.630 19045 8454 1 11 . 1 1 150 150 PHE HA H 150 4.555 4.555 4.828 -0.273 19045 8455 1 11 . 1 1 150 150 PHE CA C 150 57.964 57.964 57.373 0.591 19045 8456 1 11 . 1 1 150 150 PHE CB C 150 42.911 42.911 39.808 3.103 19045 8457 1 11 . 1 1 150 150 PHE H H 150 9.331 9.331 8.228 1.103 19045 8458 1 11 . 1 1 151 151 LEU N N 151 123.032 123.032 120.579 2.453 19045 8459 1 11 . 1 1 151 151 LEU HA H 151 3.859 3.859 3.932 -0.073 19045 8460 1 11 . 1 1 151 151 LEU CA C 151 58.454 58.454 58.481 -0.028 19045 8461 1 11 . 1 1 151 151 LEU CB C 151 40.948 40.948 40.114 0.834 19045 8462 1 11 . 1 1 151 151 LEU H H 151 8.470 8.470 7.928 0.542 19045 8463 1 11 . 1 1 152 152 GLY N N 152 108.386 108.386 104.150 4.236 19045 8464 1 11 . 1 1 152 152 GLY CA C 152 46.676 46.676 47.059 -0.383 19045 8465 1 11 . 1 1 152 152 GLY H H 152 8.577 8.577 8.466 0.111 19045 8466 1 11 . 1 1 153 153 GLN N N 153 122.055 122.055 120.732 1.323 19045 8467 1 11 . 1 1 153 153 GLN HA H 153 3.532 3.532 3.498 0.034 19045 8468 1 11 . 1 1 153 153 GLN CA C 153 57.844 57.844 57.950 -0.106 19045 8469 1 11 . 1 1 153 153 GLN CB C 153 26.442 26.442 27.450 -1.008 19045 8470 1 11 . 1 1 153 153 GLN H H 153 7.106 7.106 7.577 -0.471 19045 8471 1 11 . 1 1 154 154 VAL N N 154 116.706 116.706 119.460 -2.754 19045 8472 1 11 . 1 1 154 154 VAL HA H 154 2.428 2.428 3.419 -0.991 19045 8473 1 11 . 1 1 154 154 VAL CA C 154 66.089 66.089 65.910 0.179 19045 8474 1 11 . 1 1 154 154 VAL CB C 154 31.463 31.463 30.474 0.989 19045 8475 1 11 . 1 1 154 154 VAL H H 154 7.033 7.033 7.824 -0.791 19045 8476 1 11 . 1 1 155 155 THR N N 155 114.165 114.165 115.961 -1.796 19045 8477 1 11 . 1 1 155 155 THR HA H 155 3.317 3.317 3.428 -0.111 19045 8478 1 11 . 1 1 155 155 THR CA C 155 67.050 67.050 66.650 0.401 19045 8479 1 11 . 1 1 155 155 THR CB C 155 68.307 68.307 68.261 0.046 19045 8480 1 11 . 1 1 155 155 THR H H 155 7.860 7.860 7.979 -0.119 19045 8481 1 11 . 1 1 156 156 ARG N N 156 119.890 119.890 120.621 -0.731 19045 8482 1 11 . 1 1 156 156 ARG HA H 156 3.769 3.769 3.943 -0.174 19045 8483 1 11 . 1 1 156 156 ARG CA C 156 58.769 58.769 58.543 0.226 19045 8484 1 11 . 1 1 156 156 ARG CB C 156 28.693 28.693 29.427 -0.734 19045 8485 1 11 . 1 1 156 156 ARG H H 156 7.019 7.019 7.763 -0.744 19045 8486 1 11 . 1 1 157 157 PHE N N 157 118.242 118.242 119.236 -0.994 19045 8487 1 11 . 1 1 157 157 PHE HA H 157 4.426 4.426 4.705 -0.279 19045 8488 1 11 . 1 1 157 157 PHE CA C 157 56.928 56.928 59.559 -2.631 19045 8489 1 11 . 1 1 157 157 PHE CB C 157 35.794 35.794 37.889 -2.095 19045 8490 1 11 . 1 1 157 157 PHE H H 157 8.030 8.030 7.811 0.219 19045 8491 1 11 . 1 1 158 158 VAL N N 158 118.961 118.961 119.646 -0.685 19045 8492 1 11 . 1 1 158 158 VAL HA H 158 3.425 3.425 4.035 -0.610 19045 8493 1 11 . 1 1 158 158 VAL CA C 158 67.288 67.288 66.628 0.660 19045 8494 1 11 . 1 1 158 158 VAL CB C 158 31.554 31.554 30.686 0.869 19045 8495 1 11 . 1 1 158 158 VAL H H 158 7.607 7.607 8.189 -0.582 19045 8496 1 11 . 1 1 159 159 VAL N N 159 119.773 119.773 120.372 -0.599 19045 8497 1 11 . 1 1 159 159 VAL HA H 159 3.358 3.358 3.719 -0.361 19045 8498 1 11 . 1 1 159 159 VAL CA C 159 67.570 67.570 66.257 1.313 19045 8499 1 11 . 1 1 159 159 VAL CB C 159 32.355 32.355 30.665 1.690 19045 8500 1 11 . 1 1 159 159 VAL H H 159 8.039 8.039 8.086 -0.047 19045 8501 1 11 . 1 1 160 160 ASP N N 160 118.382 118.382 120.620 -2.238 19045 8502 1 11 . 1 1 160 160 ASP HA H 160 4.293 4.293 4.440 -0.147 19045 8503 1 11 . 1 1 160 160 ASP CA C 160 57.567 57.567 57.261 0.306 19045 8504 1 11 . 1 1 160 160 ASP CB C 160 41.474 41.474 40.708 0.766 19045 8505 1 11 . 1 1 160 160 ASP H H 160 8.752 8.752 8.391 0.361 19045 8506 1 11 . 1 1 161 161 PHE N N 161 119.972 119.972 120.715 -0.743 19045 8507 1 11 . 1 1 161 161 PHE HA H 161 4.175 4.175 4.097 0.078 19045 8508 1 11 . 1 1 161 161 PHE CA C 161 62.688 62.688 61.539 1.149 19045 8509 1 11 . 1 1 161 161 PHE CB C 161 39.789 39.789 39.453 0.336 19045 8510 1 11 . 1 1 161 161 PHE H H 161 8.558 8.558 8.058 0.500 19045 8511 1 11 . 1 1 162 162 MET N N 162 116.261 116.261 119.572 -3.311 19045 8512 1 11 . 1 1 162 162 MET HA H 162 3.702 3.702 3.968 -0.266 19045 8513 1 11 . 1 1 162 162 MET CA C 162 59.342 59.342 59.656 -0.313 19045 8514 1 11 . 1 1 162 162 MET CB C 162 32.081 32.081 32.872 -0.791 19045 8515 1 11 . 1 1 162 162 MET H H 162 8.597 8.597 8.876 -0.279 19045 8516 1 11 . 1 1 163 163 LEU N N 163 119.069 119.069 117.762 1.307 19045 8517 1 11 . 1 1 163 163 LEU HA H 163 3.952 3.952 4.018 -0.066 19045 8518 1 11 . 1 1 163 163 LEU CA C 163 57.856 57.856 57.254 0.602 19045 8519 1 11 . 1 1 163 163 LEU CB C 163 42.236 42.236 41.255 0.981 19045 8520 1 11 . 1 1 163 163 LEU H H 163 8.291 8.291 8.000 0.291 19045 8521 1 11 . 1 1 164 164 HIS N N 164 113.591 113.591 115.512 -1.921 19045 8522 1 11 . 1 1 164 164 HIS HA H 164 4.430 4.430 4.423 0.007 19045 8523 1 11 . 1 1 164 164 HIS CA C 164 57.289 57.289 58.703 -1.414 19045 8524 1 11 . 1 1 164 164 HIS CB C 164 28.766 28.766 30.423 -1.657 19045 8525 1 11 . 1 1 164 164 HIS H H 164 8.111 8.111 7.881 0.230 19045 8526 1 11 . 1 1 165 165 HIS N N 165 115.730 115.730 118.073 -2.343 19045 8527 1 11 . 1 1 165 165 HIS HA H 165 4.602 4.602 4.310 0.292 19045 8528 1 11 . 1 1 165 165 HIS CA C 165 54.752 54.752 57.250 -2.498 19045 8529 1 11 . 1 1 165 165 HIS CB C 165 26.766 26.766 30.202 -3.436 19045 8530 1 11 . 1 1 165 165 HIS H H 165 7.789 7.789 8.266 -0.477 19045 8531 1 11 . 1 1 166 166 CYS N N 166 109.533 109.533 119.725 -10.192 19045 8532 1 11 . 1 1 166 166 CYS HA H 166 4.274 4.274 4.424 -0.150 19045 8533 1 11 . 1 1 166 166 CYS CA C 166 61.452 61.452 58.489 2.963 19045 8534 1 11 . 1 1 166 166 CYS CB C 166 25.215 25.215 26.610 -1.395 19045 8535 1 11 . 1 1 166 166 CYS H H 166 7.761 7.761 8.395 -0.634 19045 8536 1 11 . 1 1 167 167 ILE N N 167 119.980 119.980 121.811 -1.831 19045 8537 1 11 . 1 1 167 167 ILE HA H 167 3.563 3.563 3.725 -0.162 19045 8538 1 11 . 1 1 167 167 ILE CA C 167 62.212 62.212 63.135 -0.923 19045 8539 1 11 . 1 1 167 167 ILE CB C 167 35.969 35.969 36.919 -0.950 19045 8540 1 11 . 1 1 167 167 ILE H H 167 7.574 7.574 7.645 -0.071 19045 8541 1 11 . 1 1 168 168 ALA N N 168 121.737 121.737 122.750 -1.013 19045 8542 1 11 . 1 1 168 168 ALA HA H 168 3.775 3.775 3.956 -0.181 19045 8543 1 11 . 1 1 168 168 ALA CA C 168 55.082 55.082 55.550 -0.467 19045 8544 1 11 . 1 1 168 168 ALA CB C 168 16.505 16.505 18.126 -1.621 19045 8545 1 11 . 1 1 168 168 ALA H H 168 7.935 7.935 7.562 0.373 19045 8546 1 11 . 1 1 169 169 ARG N N 169 118.369 118.369 118.453 -0.084 19045 8547 1 11 . 1 1 169 169 ARG HA H 169 3.550 3.550 3.961 -0.411 19045 8548 1 11 . 1 1 169 169 ARG CA C 169 59.581 59.581 59.670 -0.089 19045 8549 1 11 . 1 1 169 169 ARG CB C 169 29.380 29.380 29.790 -0.410 19045 8550 1 11 . 1 1 169 169 ARG H H 169 7.936 7.936 8.564 -0.628 19045 8551 1 11 . 1 1 170 170 TRP N N 170 121.173 121.173 120.920 0.253 19045 8552 1 11 . 1 1 170 170 TRP HA H 170 3.763 3.763 4.181 -0.418 19045 8553 1 11 . 1 1 170 170 TRP CA C 170 62.080 62.080 61.622 0.458 19045 8554 1 11 . 1 1 170 170 TRP CB C 170 29.423 29.423 29.095 0.329 19045 8555 1 11 . 1 1 170 170 TRP H H 170 7.259 7.259 7.380 -0.121 19045 8556 1 11 . 1 1 171 171 ILE N N 171 117.994 117.994 118.463 -0.469 19045 8557 1 11 . 1 1 171 171 ILE HA H 171 2.864 2.864 3.082 -0.218 19045 8558 1 11 . 1 1 171 171 ILE CA C 171 65.347 65.347 64.787 0.560 19045 8559 1 11 . 1 1 171 171 ILE CB C 171 37.781 37.781 37.531 0.251 19045 8560 1 11 . 1 1 171 171 ILE H H 171 8.074 8.074 8.261 -0.187 19045 8561 1 11 . 1 1 172 172 ALA N N 172 123.588 123.588 120.660 2.928 19045 8562 1 11 . 1 1 172 172 ALA HA H 172 3.506 3.506 3.926 -0.420 19045 8563 1 11 . 1 1 172 172 ALA CA C 172 55.685 55.685 54.706 0.979 19045 8564 1 11 . 1 1 172 172 ALA CB C 172 17.050 17.050 18.304 -1.254 19045 8565 1 11 . 1 1 172 172 ALA H H 172 8.511 8.511 7.937 0.574 19045 8566 1 11 . 1 1 173 173 GLN N N 173 117.382 117.382 116.797 0.585 19045 8567 1 11 . 1 1 173 173 GLN HA H 173 3.854 3.854 3.980 -0.126 19045 8568 1 11 . 1 1 173 173 GLN CA C 173 57.904 57.904 57.597 0.307 19045 8569 1 11 . 1 1 173 173 GLN CB C 173 28.141 28.141 28.575 -0.434 19045 8570 1 11 . 1 1 173 173 GLN H H 173 7.898 7.898 7.550 0.348 19045 8571 1 11 . 1 1 174 174 ARG N N 174 116.800 116.800 116.446 0.354 19045 8572 1 11 . 1 1 174 174 ARG HA H 174 4.097 4.097 4.078 0.019 19045 8573 1 11 . 1 1 174 174 ARG CA C 174 55.395 55.395 55.593 -0.198 19045 8574 1 11 . 1 1 174 174 ARG CB C 174 29.652 29.652 30.118 -0.466 19045 8575 1 11 . 1 1 174 174 ARG H H 174 6.984 6.984 7.415 -0.431 19045 8576 1 11 . 1 1 175 175 GLY N N 175 104.194 104.194 105.789 -1.595 19045 8577 1 11 . 1 1 175 175 GLY CA C 175 44.340 44.340 44.605 -0.265 19045 8578 1 11 . 1 1 175 175 GLY H H 175 7.418 7.418 7.067 0.351 19045 8579 1 11 . 1 1 176 176 GLY N N 176 107.629 107.629 107.590 0.039 19045 8580 1 11 . 1 1 176 176 GLY CA C 176 43.501 43.501 44.926 -1.425 19045 8581 1 11 . 1 1 176 176 GLY H H 176 8.072 8.072 7.649 0.423 19045 8582 1 11 . 1 1 177 177 TRP N N 177 117.887 117.887 121.242 -3.355 19045 8583 1 11 . 1 1 177 177 TRP HA H 177 4.476 4.476 4.765 -0.289 19045 8584 1 11 . 1 1 177 177 TRP CA C 177 61.083 61.083 60.161 0.922 19045 8585 1 11 . 1 1 177 177 TRP CB C 177 30.927 30.927 29.381 1.546 19045 8586 1 11 . 1 1 177 177 TRP H H 177 8.218 8.218 8.913 -0.695 19045 8587 1 11 . 1 1 178 178 VAL N N 178 112.929 112.929 119.314 -6.385 19045 8588 1 11 . 1 1 178 178 VAL HA H 178 3.688 3.688 3.830 -0.142 19045 8589 1 11 . 1 1 178 178 VAL CA C 178 64.680 64.680 63.522 1.158 19045 8590 1 11 . 1 1 178 178 VAL CB C 178 31.057 31.057 30.391 0.666 19045 8591 1 11 . 1 1 178 178 VAL H H 178 8.284 8.284 7.897 0.387 19045 8592 1 11 . 1 1 179 179 ALA N N 179 125.101 125.101 121.052 4.049 19045 8593 1 11 . 1 1 179 179 ALA HA H 179 4.009 4.009 4.340 -0.331 19045 8594 1 11 . 1 1 179 179 ALA CA C 179 54.344 54.344 53.094 1.250 19045 8595 1 11 . 1 1 179 179 ALA CB C 179 18.555 18.555 18.736 -0.181 19045 8596 1 11 . 1 1 179 179 ALA H H 179 7.670 7.670 7.782 -0.112 19045 8597 1 11 . 1 1 180 180 ALA N N 180 119.081 119.081 122.231 -3.150 19045 8598 1 11 . 1 1 180 180 ALA HA H 180 3.293 3.293 3.578 -0.285 19045 8599 1 11 . 1 1 180 180 ALA CA C 180 52.783 52.783 54.063 -1.280 19045 8600 1 11 . 1 1 180 180 ALA CB C 180 18.113 18.113 19.095 -0.982 19045 8601 1 11 . 1 1 180 180 ALA H H 180 8.058 8.058 7.665 0.393 19045 8602 1 11 . 1 1 181 181 LEU N N 181 114.169 114.169 114.969 -0.800 19045 8603 1 11 . 1 1 181 181 LEU HA H 181 3.911 3.911 3.996 -0.085 19045 8604 1 11 . 1 1 181 181 LEU CA C 181 56.128 56.128 56.793 -0.665 19045 8605 1 11 . 1 1 181 181 LEU CB C 181 40.955 40.955 41.043 -0.088 19045 8606 1 11 . 1 1 181 181 LEU H H 181 7.342 7.342 8.028 -0.686 19045 8607 1 11 . 1 1 182 182 ASN N N 182 115.061 115.061 116.484 -1.423 19045 8608 1 11 . 1 1 182 182 ASN HA H 182 4.743 4.743 4.617 0.126 19045 8609 1 11 . 1 1 182 182 ASN CA C 182 52.508 52.508 53.195 -0.687 19045 8610 1 11 . 1 1 182 182 ASN CB C 182 39.091 39.091 38.104 0.987 19045 8611 1 11 . 1 1 182 182 ASN H H 182 7.289 7.289 8.031 -0.742 19045 8612 1 11 . 1 1 183 183 LEU N N 183 119.889 119.889 119.218 0.671 19045 8613 1 11 . 1 1 183 183 LEU HA H 183 4.125 4.125 4.617 -0.492 19045 8614 1 11 . 1 1 183 183 LEU CA C 183 55.201 55.201 53.895 1.306 19045 8615 1 11 . 1 1 183 183 LEU CB C 183 42.174 42.174 43.816 -1.642 19045 8616 1 11 . 1 1 183 183 LEU H H 183 7.148 7.148 7.705 -0.557 19045 8617 1 11 . 1 1 184 184 GLY N N 184 107.883 107.883 108.541 -0.658 19045 8618 1 11 . 1 1 184 184 GLY CA C 184 45.256 45.256 46.985 -1.729 19045 8619 1 11 . 1 1 184 184 GLY H H 184 8.486 8.486 8.580 -0.094 19045 8620 1 11 . 1 1 185 185 ASN N N 185 118.093 118.093 122.851 -4.758 19045 8621 1 11 . 1 1 185 185 ASN HA H 185 4.755 4.755 4.946 -0.191 19045 8622 1 11 . 1 1 185 185 ASN CA C 185 52.812 52.812 52.703 0.109 19045 8623 1 11 . 1 1 185 185 ASN CB C 185 39.297 39.297 39.506 -0.209 19045 8624 1 11 . 1 1 185 185 ASN H H 185 8.074 8.074 8.483 -0.409 19045 8625 1 12 . 1 1 19 19 LEU N N 19 122.834 122.834 122.982 -0.148 19045 8626 1 12 . 1 1 19 19 LEU HA H 19 4.523 4.523 4.815 -0.292 19045 8627 1 12 . 1 1 19 19 LEU CA C 19 52.690 52.690 53.750 -1.060 19045 8628 1 12 . 1 1 19 19 LEU CB C 19 41.808 41.808 41.405 0.403 19045 8629 1 12 . 1 1 19 19 LEU H H 19 8.080 8.080 7.878 0.202 19045 8630 1 12 . 1 1 20 20 PRO HA H 20 4.353 4.353 4.606 -0.253 19045 8631 1 12 . 1 1 20 20 PRO CA C 20 62.826 62.826 62.281 0.545 19045 8632 1 12 . 1 1 20 20 PRO CB C 20 31.969 31.969 32.312 -0.343 19045 8633 1 12 . 1 1 21 21 SER N N 21 116.268 116.268 114.561 1.707 19045 8634 1 12 . 1 1 21 21 SER HA H 21 4.249 4.249 4.327 -0.078 19045 8635 1 12 . 1 1 21 21 SER CA C 21 58.338 58.338 58.147 0.191 19045 8636 1 12 . 1 1 21 21 SER CB C 21 63.856 63.856 63.924 -0.068 19045 8637 1 12 . 1 1 21 21 SER H H 21 8.246 8.246 8.286 -0.040 19045 8638 1 12 . 1 1 22 22 ALA N N 22 125.246 125.246 123.450 1.796 19045 8639 1 12 . 1 1 22 22 ALA HA H 22 4.405 4.405 4.614 -0.209 19045 8640 1 12 . 1 1 22 22 ALA CA C 22 52.086 52.086 51.854 0.232 19045 8641 1 12 . 1 1 22 22 ALA CB C 22 19.582 19.582 20.331 -0.749 19045 8642 1 12 . 1 1 22 22 ALA H H 22 8.192 8.192 8.232 -0.040 19045 8643 1 12 . 1 1 23 23 SER N N 23 114.236 114.236 115.107 -0.871 19045 8644 1 12 . 1 1 23 23 SER HA H 23 4.469 4.469 4.984 -0.515 19045 8645 1 12 . 1 1 23 23 SER CA C 23 57.386 57.386 56.018 1.368 19045 8646 1 12 . 1 1 23 23 SER CB C 23 64.582 64.582 65.591 -1.009 19045 8647 1 12 . 1 1 23 23 SER H H 23 8.081 8.081 8.318 -0.237 19045 8648 1 12 . 1 1 24 24 GLU N N 24 124.005 124.005 122.529 1.476 19045 8649 1 12 . 1 1 24 24 GLU HA H 24 3.534 3.534 3.898 -0.364 19045 8650 1 12 . 1 1 24 24 GLU CA C 24 59.772 59.772 59.788 -0.015 19045 8651 1 12 . 1 1 24 24 GLU CB C 24 29.798 29.798 29.055 0.743 19045 8652 1 12 . 1 1 24 24 GLU H H 24 8.702 8.702 9.018 -0.316 19045 8653 1 12 . 1 1 25 25 GLU N N 25 118.390 118.390 118.595 -0.205 19045 8654 1 12 . 1 1 25 25 GLU HA H 25 3.796 3.796 4.026 -0.230 19045 8655 1 12 . 1 1 25 25 GLU CA C 25 59.939 59.939 59.493 0.445 19045 8656 1 12 . 1 1 25 25 GLU CB C 25 29.217 29.217 28.743 0.474 19045 8657 1 12 . 1 1 25 25 GLU H H 25 8.559 8.559 8.913 -0.354 19045 8658 1 12 . 1 1 26 26 GLN N N 26 120.776 120.776 118.895 1.881 19045 8659 1 12 . 1 1 26 26 GLN HA H 26 3.916 3.916 4.214 -0.298 19045 8660 1 12 . 1 1 26 26 GLN CA C 26 58.343 58.343 58.410 -0.067 19045 8661 1 12 . 1 1 26 26 GLN CB C 26 28.119 28.119 27.884 0.235 19045 8662 1 12 . 1 1 26 26 GLN H H 26 7.764 7.764 7.726 0.038 19045 8663 1 12 . 1 1 27 27 VAL N N 27 118.723 118.723 121.519 -2.796 19045 8664 1 12 . 1 1 27 27 VAL HA H 27 3.933 3.933 3.698 0.235 19045 8665 1 12 . 1 1 27 27 VAL CA C 27 66.285 66.285 66.622 -0.337 19045 8666 1 12 . 1 1 27 27 VAL CB C 27 31.596 31.596 31.566 0.030 19045 8667 1 12 . 1 1 27 27 VAL H H 27 8.062 8.062 8.172 -0.110 19045 8668 1 12 . 1 1 28 28 ALA N N 28 122.902 122.902 121.693 1.209 19045 8669 1 12 . 1 1 28 28 ALA HA H 28 4.026 4.026 3.936 0.090 19045 8670 1 12 . 1 1 28 28 ALA CA C 28 56.178 56.178 55.256 0.922 19045 8671 1 12 . 1 1 28 28 ALA CB C 28 18.463 18.463 18.155 0.308 19045 8672 1 12 . 1 1 28 28 ALA H H 28 8.412 8.412 8.161 0.251 19045 8673 1 12 . 1 1 29 29 GLN N N 29 117.996 117.996 118.241 -0.245 19045 8674 1 12 . 1 1 29 29 GLN HA H 29 4.084 4.084 3.873 0.211 19045 8675 1 12 . 1 1 29 29 GLN CA C 29 59.063 59.063 59.046 0.017 19045 8676 1 12 . 1 1 29 29 GLN CB C 29 28.452 28.452 28.595 -0.143 19045 8677 1 12 . 1 1 29 29 GLN H H 29 7.900 7.900 7.773 0.127 19045 8678 1 12 . 1 1 30 30 ASP N N 30 121.907 121.907 118.781 3.126 19045 8679 1 12 . 1 1 30 30 ASP HA H 30 4.521 4.521 4.557 -0.036 19045 8680 1 12 . 1 1 30 30 ASP CA C 30 57.038 57.038 56.798 0.240 19045 8681 1 12 . 1 1 30 30 ASP CB C 30 41.939 41.939 40.310 1.629 19045 8682 1 12 . 1 1 30 30 ASP H H 30 8.888 8.888 8.189 0.699 19045 8683 1 12 . 1 1 31 31 THR N N 31 114.861 114.861 117.102 -2.241 19045 8684 1 12 . 1 1 31 31 THR HA H 31 3.493 3.493 3.326 0.167 19045 8685 1 12 . 1 1 31 31 THR CA C 31 66.946 66.946 67.749 -0.803 19045 8686 1 12 . 1 1 31 31 THR CB C 31 68.523 68.523 68.862 -0.339 19045 8687 1 12 . 1 1 31 31 THR H H 31 8.069 8.069 8.116 -0.047 19045 8688 1 12 . 1 1 32 32 GLU N N 32 120.848 120.848 120.754 0.094 19045 8689 1 12 . 1 1 32 32 GLU HA H 32 3.597 3.597 3.861 -0.264 19045 8690 1 12 . 1 1 32 32 GLU CA C 32 60.899 60.899 59.357 1.542 19045 8691 1 12 . 1 1 32 32 GLU CB C 32 28.963 28.963 28.709 0.254 19045 8692 1 12 . 1 1 32 32 GLU H H 32 7.578 7.578 7.834 -0.256 19045 8693 1 12 . 1 1 33 33 GLU N N 33 117.741 117.741 120.623 -2.882 19045 8694 1 12 . 1 1 33 33 GLU HA H 33 3.938 3.938 4.004 -0.066 19045 8695 1 12 . 1 1 33 33 GLU CA C 33 58.768 58.768 59.299 -0.531 19045 8696 1 12 . 1 1 33 33 GLU CB C 33 29.708 29.708 29.683 0.025 19045 8697 1 12 . 1 1 33 33 GLU H H 33 7.446 7.446 7.830 -0.384 19045 8698 1 12 . 1 1 34 34 VAL N N 34 120.239 120.239 120.006 0.233 19045 8699 1 12 . 1 1 34 34 VAL HA H 34 3.108 3.108 3.671 -0.563 19045 8700 1 12 . 1 1 34 34 VAL CA C 34 66.979 66.979 65.390 1.589 19045 8701 1 12 . 1 1 34 34 VAL CB C 34 31.884 31.884 30.823 1.061 19045 8702 1 12 . 1 1 34 34 VAL H H 34 7.792 7.792 8.059 -0.267 19045 8703 1 12 . 1 1 35 35 PHE N N 35 117.559 117.559 120.940 -3.381 19045 8704 1 12 . 1 1 35 35 PHE HA H 35 4.209 4.209 4.034 0.175 19045 8705 1 12 . 1 1 35 35 PHE CA C 35 61.592 61.592 62.178 -0.587 19045 8706 1 12 . 1 1 35 35 PHE CB C 35 39.066 39.066 38.951 0.115 19045 8707 1 12 . 1 1 35 35 PHE H H 35 8.895 8.895 8.306 0.589 19045 8708 1 12 . 1 1 36 36 ARG N N 36 116.705 116.705 119.089 -2.384 19045 8709 1 12 . 1 1 36 36 ARG HA H 36 3.555 3.555 4.042 -0.487 19045 8710 1 12 . 1 1 36 36 ARG CA C 36 59.906 59.906 60.388 -0.482 19045 8711 1 12 . 1 1 36 36 ARG CB C 36 29.654 29.654 30.390 -0.736 19045 8712 1 12 . 1 1 36 36 ARG H H 36 8.182 8.182 8.244 -0.062 19045 8713 1 12 . 1 1 37 37 SER N N 37 112.628 112.628 115.539 -2.911 19045 8714 1 12 . 1 1 37 37 SER HA H 37 4.122 4.122 4.320 -0.198 19045 8715 1 12 . 1 1 37 37 SER CA C 37 61.258 61.258 61.567 -0.309 19045 8716 1 12 . 1 1 37 37 SER CB C 37 63.089 63.089 62.589 0.500 19045 8717 1 12 . 1 1 37 37 SER H H 37 7.845 7.845 8.224 -0.379 19045 8718 1 12 . 1 1 38 38 TYR N N 38 122.458 122.458 125.060 -2.602 19045 8719 1 12 . 1 1 38 38 TYR HA H 38 3.927 3.927 4.257 -0.330 19045 8720 1 12 . 1 1 38 38 TYR CA C 38 62.006 62.006 61.599 0.407 19045 8721 1 12 . 1 1 38 38 TYR CB C 38 38.892 38.892 38.215 0.677 19045 8722 1 12 . 1 1 38 38 TYR H H 38 8.793 8.793 8.102 0.691 19045 8723 1 12 . 1 1 39 39 VAL N N 39 115.951 115.951 118.940 -2.989 19045 8724 1 12 . 1 1 39 39 VAL HA H 39 3.209 3.209 3.265 -0.056 19045 8725 1 12 . 1 1 39 39 VAL CA C 39 65.982 65.982 64.572 1.410 19045 8726 1 12 . 1 1 39 39 VAL CB C 39 30.884 30.884 30.501 0.383 19045 8727 1 12 . 1 1 39 39 VAL H H 39 8.348 8.348 7.871 0.477 19045 8728 1 12 . 1 1 40 40 PHE N N 40 119.608 119.608 121.716 -2.108 19045 8729 1 12 . 1 1 40 40 PHE HA H 40 3.915 3.915 4.053 -0.138 19045 8730 1 12 . 1 1 40 40 PHE CA C 40 61.651 61.651 61.409 0.242 19045 8731 1 12 . 1 1 40 40 PHE CB C 40 39.411 39.411 38.767 0.644 19045 8732 1 12 . 1 1 40 40 PHE H H 40 7.596 7.596 8.199 -0.603 19045 8733 1 12 . 1 1 41 41 TYR N N 41 117.686 117.686 119.506 -1.820 19045 8734 1 12 . 1 1 41 41 TYR HA H 41 3.818 3.818 3.898 -0.080 19045 8735 1 12 . 1 1 41 41 TYR CA C 41 63.446 63.446 59.955 3.491 19045 8736 1 12 . 1 1 41 41 TYR CB C 41 37.528 37.528 37.913 -0.385 19045 8737 1 12 . 1 1 41 41 TYR H H 41 8.578 8.578 8.242 0.336 19045 8738 1 12 . 1 1 42 42 ARG N N 42 121.382 121.382 119.262 2.120 19045 8739 1 12 . 1 1 42 42 ARG HA H 42 3.581 3.581 3.779 -0.198 19045 8740 1 12 . 1 1 42 42 ARG CA C 42 57.999 57.999 59.485 -1.486 19045 8741 1 12 . 1 1 42 42 ARG CB C 42 26.992 26.992 30.100 -3.108 19045 8742 1 12 . 1 1 42 42 ARG H H 42 8.784 8.784 7.795 0.989 19045 8743 1 12 . 1 1 43 43 HIS N N 43 118.684 118.684 117.900 0.784 19045 8744 1 12 . 1 1 43 43 HIS HA H 43 4.291 4.291 4.352 -0.061 19045 8745 1 12 . 1 1 43 43 HIS CA C 43 60.041 60.041 59.089 0.952 19045 8746 1 12 . 1 1 43 43 HIS CB C 43 27.938 27.938 29.602 -1.664 19045 8747 1 12 . 1 1 43 43 HIS H H 43 8.268 8.268 8.445 -0.177 19045 8748 1 12 . 1 1 44 44 GLN N N 44 117.841 117.841 118.832 -0.991 19045 8749 1 12 . 1 1 44 44 GLN HA H 44 3.638 3.638 3.815 -0.177 19045 8750 1 12 . 1 1 44 44 GLN CA C 44 58.681 58.681 59.081 -0.400 19045 8751 1 12 . 1 1 44 44 GLN CB C 44 28.977 28.977 28.001 0.976 19045 8752 1 12 . 1 1 44 44 GLN H H 44 7.722 7.722 7.942 -0.220 19045 8753 1 12 . 1 1 45 45 GLN N N 45 117.756 117.756 117.483 0.273 19045 8754 1 12 . 1 1 45 45 GLN HA H 45 3.932 3.932 4.233 -0.301 19045 8755 1 12 . 1 1 45 45 GLN CA C 45 57.923 57.923 58.454 -0.531 19045 8756 1 12 . 1 1 45 45 GLN CB C 45 28.039 28.039 28.766 -0.727 19045 8757 1 12 . 1 1 45 45 GLN H H 45 7.808 7.808 7.368 0.440 19045 8758 1 12 . 1 1 46 46 GLU N N 46 119.876 119.876 119.845 0.031 19045 8759 1 12 . 1 1 46 46 GLU HA H 46 3.951 3.951 3.993 -0.042 19045 8760 1 12 . 1 1 46 46 GLU CA C 46 58.956 58.956 58.833 0.123 19045 8761 1 12 . 1 1 46 46 GLU CB C 46 29.166 29.166 28.893 0.273 19045 8762 1 12 . 1 1 46 46 GLU H H 46 7.781 7.781 7.653 0.128 19045 8763 1 12 . 1 1 47 47 GLN N N 47 118.282 118.282 119.587 -1.305 19045 8764 1 12 . 1 1 47 47 GLN HA H 47 3.800 3.800 3.990 -0.190 19045 8765 1 12 . 1 1 47 47 GLN CA C 47 57.892 57.892 59.356 -1.464 19045 8766 1 12 . 1 1 47 47 GLN CB C 47 28.662 28.662 28.837 -0.175 19045 8767 1 12 . 1 1 47 47 GLN H H 47 7.775 7.775 8.547 -0.772 19045 8768 1 12 . 1 1 48 48 GLU N N 48 118.519 118.519 117.727 0.792 19045 8769 1 12 . 1 1 48 48 GLU HA H 48 4.009 4.009 4.106 -0.097 19045 8770 1 12 . 1 1 48 48 GLU CA C 48 57.586 57.586 58.446 -0.860 19045 8771 1 12 . 1 1 48 48 GLU CB C 48 28.922 28.922 29.402 -0.480 19045 8772 1 12 . 1 1 48 48 GLU H H 48 7.721 7.721 7.615 0.106 19045 8773 1 12 . 1 1 49 49 ALA N N 49 121.657 121.657 123.031 -1.374 19045 8774 1 12 . 1 1 49 49 ALA HA H 49 4.140 4.140 4.143 -0.003 19045 8775 1 12 . 1 1 49 49 ALA CA C 49 53.389 53.389 53.568 -0.179 19045 8776 1 12 . 1 1 49 49 ALA CB C 49 19.111 19.111 19.326 -0.215 19045 8777 1 12 . 1 1 49 49 ALA H H 49 7.675 7.675 7.938 -0.263 19045 8778 1 12 . 1 1 50 50 GLU N N 50 116.803 116.803 117.488 -0.685 19045 8779 1 12 . 1 1 50 50 GLU HA H 50 4.182 4.182 4.444 -0.262 19045 8780 1 12 . 1 1 50 50 GLU CA C 50 56.420 56.420 55.042 1.378 19045 8781 1 12 . 1 1 50 50 GLU CB C 50 29.798 29.798 31.222 -1.424 19045 8782 1 12 . 1 1 50 50 GLU H H 50 8.106 8.106 7.782 0.324 19045 8783 1 12 . 1 1 51 51 GLY N N 51 109.812 109.812 108.472 1.340 19045 8784 1 12 . 1 1 51 51 GLY CA C 51 45.739 45.739 44.941 0.798 19045 8785 1 12 . 1 1 51 51 GLY H H 51 8.060 8.060 8.546 -0.486 19045 8786 1 12 . 1 1 52 52 VAL N N 52 118.668 118.668 118.037 0.631 19045 8787 1 12 . 1 1 52 52 VAL HA H 52 4.001 4.001 4.561 -0.560 19045 8788 1 12 . 1 1 52 52 VAL CA C 52 62.175 62.175 60.147 2.029 19045 8789 1 12 . 1 1 52 52 VAL CB C 52 32.294 32.294 33.515 -1.221 19045 8790 1 12 . 1 1 52 52 VAL H H 52 7.718 7.718 7.681 0.037 19045 8791 1 12 . 1 1 53 53 ALA N N 53 125.624 125.624 122.059 3.565 19045 8792 1 12 . 1 1 53 53 ALA HA H 53 4.220 4.220 4.566 -0.346 19045 8793 1 12 . 1 1 53 53 ALA CA C 53 51.869 51.869 51.217 0.652 19045 8794 1 12 . 1 1 53 53 ALA CB C 53 19.065 19.065 18.702 0.363 19045 8795 1 12 . 1 1 53 53 ALA H H 53 8.073 8.073 8.334 -0.261 19045 8796 1 12 . 1 1 54 54 ALA N N 54 123.638 123.638 123.301 0.337 19045 8797 1 12 . 1 1 54 54 ALA HA H 54 4.472 4.472 4.467 0.005 19045 8798 1 12 . 1 1 54 54 ALA CA C 54 49.869 49.869 51.456 -1.587 19045 8799 1 12 . 1 1 54 54 ALA CB C 54 18.488 18.488 18.427 0.061 19045 8800 1 12 . 1 1 54 54 ALA H H 54 7.718 7.718 7.897 -0.179 19045 8801 1 12 . 1 1 55 55 PRO HA H 55 4.292 4.292 4.474 -0.182 19045 8802 1 12 . 1 1 55 55 PRO CA C 55 62.966 62.966 63.180 -0.214 19045 8803 1 12 . 1 1 55 55 PRO CB C 55 31.754 31.754 32.807 -1.053 19045 8804 1 12 . 1 1 56 56 ALA N N 56 124.218 124.218 118.769 5.449 19045 8805 1 12 . 1 1 56 56 ALA HA H 56 4.220 4.220 3.993 0.227 19045 8806 1 12 . 1 1 56 56 ALA CB C 56 19.119 19.119 17.239 1.880 19045 8807 1 12 . 1 1 56 56 ALA H H 56 8.259 8.259 8.273 -0.014 19045 8808 1 12 . 1 1 57 57 ASP N N 57 120.884 120.884 118.800 2.084 19045 8809 1 12 . 1 1 57 57 ASP HA H 57 4.572 4.572 4.900 -0.328 19045 8810 1 12 . 1 1 57 57 ASP CA C 57 52.742 52.742 52.919 -0.176 19045 8811 1 12 . 1 1 57 57 ASP CB C 57 41.642 41.642 41.679 -0.037 19045 8812 1 12 . 1 1 57 57 ASP H H 57 7.829 7.829 8.212 -0.383 19045 8813 1 12 . 1 1 58 58 PRO HA H 58 4.052 4.052 4.513 -0.461 19045 8814 1 12 . 1 1 58 58 PRO CA C 58 64.128 64.128 63.394 0.734 19045 8815 1 12 . 1 1 58 58 PRO CB C 58 31.989 31.989 30.890 1.099 19045 8816 1 12 . 1 1 59 59 GLU HA H 59 4.549 4.549 4.539 0.010 19045 8817 1 12 . 1 1 59 59 GLU CA C 59 54.266 54.266 54.739 -0.473 19045 8818 1 12 . 1 1 59 59 GLU CB C 59 29.285 29.285 31.362 -2.077 19045 8819 1 12 . 1 1 60 60 MET HA H 60 3.846 3.846 4.202 -0.356 19045 8820 1 12 . 1 1 60 60 MET CA C 60 57.219 57.219 58.410 -1.191 19045 8821 1 12 . 1 1 60 60 MET CB C 60 31.894 31.894 32.372 -0.478 19045 8822 1 12 . 1 1 60 60 MET H H 60 7.070 7.070 8.722 -1.652 19045 8823 1 12 . 1 1 61 61 VAL N N 61 113.014 113.014 115.520 -2.506 19045 8824 1 12 . 1 1 61 61 VAL HA H 61 4.051 4.051 3.841 0.210 19045 8825 1 12 . 1 1 61 61 VAL CA C 61 62.799 62.799 63.168 -0.369 19045 8826 1 12 . 1 1 61 61 VAL CB C 61 31.993 31.993 32.073 -0.080 19045 8827 1 12 . 1 1 61 61 VAL H H 61 6.833 6.833 7.827 -0.994 19045 8828 1 12 . 1 1 62 62 THR N N 62 110.188 110.188 112.145 -1.957 19045 8829 1 12 . 1 1 62 62 THR HA H 62 4.230 4.230 3.915 0.315 19045 8830 1 12 . 1 1 62 62 THR CA C 62 60.947 60.947 62.951 -2.004 19045 8831 1 12 . 1 1 62 62 THR CB C 62 69.192 69.192 68.758 0.434 19045 8832 1 12 . 1 1 62 62 THR H H 62 7.101 7.101 7.675 -0.574 19045 8833 1 12 . 1 1 63 63 LEU N N 63 125.158 125.158 124.882 0.276 19045 8834 1 12 . 1 1 63 63 LEU HA H 63 4.205 4.205 4.537 -0.332 19045 8835 1 12 . 1 1 63 63 LEU CA C 63 52.688 52.688 51.934 0.754 19045 8836 1 12 . 1 1 63 63 LEU CB C 63 42.252 42.252 41.849 0.403 19045 8837 1 12 . 1 1 63 63 LEU H H 63 7.079 7.079 8.237 -1.158 19045 8838 1 12 . 1 1 64 64 PRO HA H 64 4.282 4.282 4.491 -0.209 19045 8839 1 12 . 1 1 64 64 PRO CA C 64 62.613 62.613 62.472 0.141 19045 8840 1 12 . 1 1 64 64 PRO CB C 64 30.705 30.705 30.138 0.567 19045 8841 1 12 . 1 1 65 65 LEU N N 65 122.384 122.384 123.652 -1.268 19045 8842 1 12 . 1 1 65 65 LEU HA H 65 4.234 4.234 4.382 -0.148 19045 8843 1 12 . 1 1 65 65 LEU CA C 65 54.499 54.499 54.838 -0.339 19045 8844 1 12 . 1 1 65 65 LEU CB C 65 43.438 43.438 43.488 -0.050 19045 8845 1 12 . 1 1 65 65 LEU H H 65 7.653 7.653 7.647 0.006 19045 8846 1 12 . 1 1 66 66 GLN N N 66 121.802 121.802 120.793 1.009 19045 8847 1 12 . 1 1 66 66 GLN HA H 66 4.209 4.209 4.769 -0.560 19045 8848 1 12 . 1 1 66 66 GLN CA C 66 52.783 52.783 52.775 0.008 19045 8849 1 12 . 1 1 66 66 GLN CB C 66 28.136 28.136 28.757 -0.621 19045 8850 1 12 . 1 1 66 66 GLN H H 66 8.634 8.634 8.665 -0.031 19045 8851 1 12 . 1 1 67 67 PRO HA H 67 4.139 4.139 4.443 -0.304 19045 8852 1 12 . 1 1 67 67 PRO CA C 67 64.488 64.488 63.956 0.532 19045 8853 1 12 . 1 1 67 67 PRO CB C 67 32.003 32.003 31.998 0.005 19045 8854 1 12 . 1 1 68 68 SER N N 68 111.024 111.024 112.319 -1.295 19045 8855 1 12 . 1 1 68 68 SER HA H 68 4.313 4.313 4.441 -0.128 19045 8856 1 12 . 1 1 68 68 SER CA C 68 57.991 57.991 58.185 -0.194 19045 8857 1 12 . 1 1 68 68 SER CB C 68 63.252 63.252 63.692 -0.440 19045 8858 1 12 . 1 1 68 68 SER H H 68 8.119 8.119 8.132 -0.013 19045 8859 1 12 . 1 1 69 69 SER N N 69 117.598 117.598 117.765 -0.167 19045 8860 1 12 . 1 1 69 69 SER HA H 69 4.440 4.440 4.757 -0.317 19045 8861 1 12 . 1 1 69 69 SER CA C 69 57.518 57.518 57.796 -0.278 19045 8862 1 12 . 1 1 69 69 SER CB C 69 64.587 64.587 65.418 -0.831 19045 8863 1 12 . 1 1 69 69 SER H H 69 7.723 7.723 7.596 0.127 19045 8864 1 12 . 1 1 70 70 THR N N 70 121.887 121.887 119.696 2.191 19045 8865 1 12 . 1 1 70 70 THR HA H 70 3.873 3.873 4.110 -0.237 19045 8866 1 12 . 1 1 70 70 THR CA C 70 66.723 66.723 65.452 1.271 19045 8867 1 12 . 1 1 70 70 THR CB C 70 68.385 68.385 68.606 -0.221 19045 8868 1 12 . 1 1 70 70 THR H H 70 8.827 8.827 8.853 -0.026 19045 8869 1 12 . 1 1 71 71 MET N N 71 117.344 117.344 119.369 -2.025 19045 8870 1 12 . 1 1 71 71 MET HA H 71 4.469 4.469 4.206 0.263 19045 8871 1 12 . 1 1 71 71 MET CA C 71 56.260 56.260 56.404 -0.144 19045 8872 1 12 . 1 1 71 71 MET CB C 71 31.696 31.696 30.567 1.129 19045 8873 1 12 . 1 1 71 71 MET H H 71 8.454 8.454 8.168 0.286 19045 8874 1 12 . 1 1 72 72 GLY N N 72 108.884 108.884 106.602 2.282 19045 8875 1 12 . 1 1 72 72 GLY CA C 72 46.884 46.884 47.281 -0.397 19045 8876 1 12 . 1 1 72 72 GLY H H 72 7.979 7.979 8.191 -0.212 19045 8877 1 12 . 1 1 73 73 GLN N N 73 121.522 121.522 120.727 0.795 19045 8878 1 12 . 1 1 73 73 GLN HA H 73 3.857 3.857 4.239 -0.382 19045 8879 1 12 . 1 1 73 73 GLN CA C 73 58.220 58.220 58.239 -0.019 19045 8880 1 12 . 1 1 73 73 GLN CB C 73 28.309 28.309 28.367 -0.058 19045 8881 1 12 . 1 1 73 73 GLN H H 73 7.859 7.859 7.599 0.260 19045 8882 1 12 . 1 1 74 74 VAL N N 74 121.291 121.291 121.823 -0.532 19045 8883 1 12 . 1 1 74 74 VAL HA H 74 3.359 3.359 3.612 -0.253 19045 8884 1 12 . 1 1 74 74 VAL CA C 74 67.150 67.150 66.805 0.345 19045 8885 1 12 . 1 1 74 74 VAL CB C 74 31.249 31.249 30.963 0.286 19045 8886 1 12 . 1 1 74 74 VAL H H 74 8.155 8.155 7.472 0.683 19045 8887 1 12 . 1 1 75 75 GLY N N 75 105.037 105.037 105.935 -0.898 19045 8888 1 12 . 1 1 75 75 GLY CA C 75 48.385 48.385 47.132 1.253 19045 8889 1 12 . 1 1 75 75 GLY H H 75 8.154 8.154 8.144 0.010 19045 8890 1 12 . 1 1 76 76 ARG N N 76 119.292 119.292 121.616 -2.324 19045 8891 1 12 . 1 1 76 76 ARG HA H 76 3.320 3.320 4.084 -0.764 19045 8892 1 12 . 1 1 76 76 ARG CA C 76 59.540 59.540 59.479 0.061 19045 8893 1 12 . 1 1 76 76 ARG CB C 76 30.130 30.130 30.283 -0.153 19045 8894 1 12 . 1 1 76 76 ARG H H 76 7.512 7.512 7.250 0.262 19045 8895 1 12 . 1 1 77 77 GLN N N 77 118.008 118.008 119.214 -1.206 19045 8896 1 12 . 1 1 77 77 GLN HA H 77 3.951 3.951 4.101 -0.150 19045 8897 1 12 . 1 1 77 77 GLN CA C 77 58.337 58.337 58.409 -0.072 19045 8898 1 12 . 1 1 77 77 GLN CB C 77 27.512 27.512 28.257 -0.745 19045 8899 1 12 . 1 1 77 77 GLN H H 77 7.852 7.852 7.756 0.096 19045 8900 1 12 . 1 1 78 78 LEU N N 78 116.018 116.018 119.450 -3.432 19045 8901 1 12 . 1 1 78 78 LEU HA H 78 4.078 4.078 3.940 0.138 19045 8902 1 12 . 1 1 78 78 LEU CA C 78 57.391 57.391 58.112 -0.721 19045 8903 1 12 . 1 1 78 78 LEU CB C 78 40.999 40.999 41.525 -0.526 19045 8904 1 12 . 1 1 78 78 LEU H H 78 8.412 8.412 8.445 -0.033 19045 8905 1 12 . 1 1 79 79 ALA N N 79 120.914 120.914 120.051 0.863 19045 8906 1 12 . 1 1 79 79 ALA HA H 79 3.896 3.896 4.085 -0.189 19045 8907 1 12 . 1 1 79 79 ALA CA C 79 54.789 54.789 54.643 0.146 19045 8908 1 12 . 1 1 79 79 ALA CB C 79 17.880 17.880 18.414 -0.534 19045 8909 1 12 . 1 1 79 79 ALA H H 79 7.789 7.789 8.038 -0.249 19045 8910 1 12 . 1 1 80 80 ILE N N 80 117.984 117.984 118.539 -0.555 19045 8911 1 12 . 1 1 80 80 ILE HA H 80 3.895 3.895 3.808 0.087 19045 8912 1 12 . 1 1 80 80 ILE CA C 80 63.576 63.576 64.542 -0.966 19045 8913 1 12 . 1 1 80 80 ILE CB C 80 38.607 38.607 38.654 -0.047 19045 8914 1 12 . 1 1 80 80 ILE H H 80 7.690 7.690 7.424 0.266 19045 8915 1 12 . 1 1 81 81 ILE HA H 81 3.984 3.984 3.929 0.055 19045 8916 1 12 . 1 1 81 81 ILE CA C 81 63.608 63.608 63.721 -0.113 19045 8917 1 12 . 1 1 81 81 ILE CB C 81 37.587 37.587 37.435 0.152 19045 8918 1 12 . 1 1 81 81 ILE H H 81 7.910 7.910 8.154 -0.244 19045 8919 1 12 . 1 1 82 82 GLY CA C 82 45.566 45.566 44.650 0.916 19045 8920 1 12 . 1 1 82 82 GLY H H 82 7.765 7.765 8.253 -0.488 19045 8921 1 12 . 1 1 83 83 ASP N N 83 119.914 119.914 123.189 -3.275 19045 8922 1 12 . 1 1 83 83 ASP HA H 83 4.332 4.332 4.415 -0.083 19045 8923 1 12 . 1 1 83 83 ASP CA C 83 58.161 58.161 58.133 0.028 19045 8924 1 12 . 1 1 83 83 ASP CB C 83 41.771 41.771 41.127 0.644 19045 8925 1 12 . 1 1 83 83 ASP H H 83 7.400 7.400 7.806 -0.406 19045 8926 1 12 . 1 1 84 84 ASP N N 84 116.566 116.566 119.088 -2.522 19045 8927 1 12 . 1 1 84 84 ASP HA H 84 4.200 4.200 4.455 -0.255 19045 8928 1 12 . 1 1 84 84 ASP CA C 84 57.270 57.270 57.288 -0.019 19045 8929 1 12 . 1 1 84 84 ASP CB C 84 40.593 40.593 40.291 0.302 19045 8930 1 12 . 1 1 84 84 ASP H H 84 8.523 8.523 8.220 0.303 19045 8931 1 12 . 1 1 85 85 ILE N N 85 120.454 120.454 119.637 0.817 19045 8932 1 12 . 1 1 85 85 ILE HA H 85 3.753 3.753 3.860 -0.107 19045 8933 1 12 . 1 1 85 85 ILE CA C 85 63.782 63.782 64.497 -0.715 19045 8934 1 12 . 1 1 85 85 ILE CB C 85 37.546 37.546 37.100 0.446 19045 8935 1 12 . 1 1 85 85 ILE H H 85 7.707 7.707 7.983 -0.276 19045 8936 1 12 . 1 1 86 86 ASN N N 86 118.583 118.583 119.561 -0.978 19045 8937 1 12 . 1 1 86 86 ASN HA H 86 4.472 4.472 4.484 -0.012 19045 8938 1 12 . 1 1 86 86 ASN CA C 86 56.087 56.087 56.210 -0.123 19045 8939 1 12 . 1 1 86 86 ASN CB C 86 37.614 37.614 38.583 -0.969 19045 8940 1 12 . 1 1 86 86 ASN H H 86 8.440 8.440 8.026 0.414 19045 8941 1 12 . 1 1 87 87 ARG N N 87 117.819 117.819 117.511 0.308 19045 8942 1 12 . 1 1 87 87 ARG HA H 87 4.043 4.043 3.967 0.076 19045 8943 1 12 . 1 1 87 87 ARG CA C 87 59.035 59.035 59.092 -0.057 19045 8944 1 12 . 1 1 87 87 ARG CB C 87 29.845 29.845 29.967 -0.122 19045 8945 1 12 . 1 1 87 87 ARG H H 87 8.214 8.214 7.905 0.309 19045 8946 1 12 . 1 1 88 88 ARG N N 88 117.971 117.971 119.731 -1.760 19045 8947 1 12 . 1 1 88 88 ARG HA H 88 3.965 3.965 4.014 -0.049 19045 8948 1 12 . 1 1 88 88 ARG CA C 88 58.161 58.161 59.439 -1.278 19045 8949 1 12 . 1 1 88 88 ARG CB C 88 30.376 30.376 30.743 -0.367 19045 8950 1 12 . 1 1 88 88 ARG H H 88 7.438 7.438 7.941 -0.503 19045 8951 1 12 . 1 1 89 89 TYR N N 89 114.591 114.591 113.030 1.561 19045 8952 1 12 . 1 1 89 89 TYR HA H 89 4.753 4.753 4.786 -0.033 19045 8953 1 12 . 1 1 89 89 TYR CA C 89 59.481 59.481 57.678 1.804 19045 8954 1 12 . 1 1 89 89 TYR CB C 89 39.610 39.610 37.257 2.353 19045 8955 1 12 . 1 1 89 89 TYR H H 89 7.635 7.635 8.136 -0.501 19045 8956 1 12 . 1 1 90 90 ASP HA H 90 4.820 4.820 4.559 0.261 19045 8957 1 12 . 1 1 90 90 ASP CA C 90 58.200 58.200 56.890 1.310 19045 8958 1 12 . 1 1 90 90 ASP CB C 90 41.407 41.407 41.789 -0.382 19045 8959 1 12 . 1 1 90 90 ASP H H 90 8.282 8.282 7.435 0.847 19045 8960 1 12 . 1 1 91 91 SER N N 91 115.266 115.266 115.912 -0.646 19045 8961 1 12 . 1 1 91 91 SER HA H 91 4.170 4.170 4.425 -0.255 19045 8962 1 12 . 1 1 91 91 SER CA C 91 61.780 61.780 61.980 -0.200 19045 8963 1 12 . 1 1 91 91 SER CB C 91 61.891 61.891 62.715 -0.824 19045 8964 1 12 . 1 1 91 91 SER H H 91 8.717 8.717 8.098 0.619 19045 8965 1 12 . 1 1 92 92 GLU N N 92 122.093 122.093 120.808 1.285 19045 8966 1 12 . 1 1 92 92 GLU HA H 92 4.056 4.056 4.180 -0.124 19045 8967 1 12 . 1 1 92 92 GLU CA C 92 58.928 58.928 58.810 0.118 19045 8968 1 12 . 1 1 92 92 GLU CB C 92 29.796 29.796 29.347 0.449 19045 8969 1 12 . 1 1 92 92 GLU H H 92 8.025 8.025 8.575 -0.550 19045 8970 1 12 . 1 1 93 93 PHE HA H 93 4.171 4.171 4.447 -0.276 19045 8971 1 12 . 1 1 93 93 PHE CA C 93 60.704 60.704 59.970 0.734 19045 8972 1 12 . 1 1 93 93 PHE CB C 93 38.780 38.780 40.387 -1.607 19045 8973 1 12 . 1 1 93 93 PHE H H 93 7.801 7.801 8.067 -0.266 19045 8974 1 12 . 1 1 94 94 GLN N N 94 118.578 118.578 119.076 -0.498 19045 8975 1 12 . 1 1 94 94 GLN HA H 94 3.847 3.847 3.900 -0.053 19045 8976 1 12 . 1 1 94 94 GLN CA C 94 59.981 59.981 59.257 0.724 19045 8977 1 12 . 1 1 94 94 GLN CB C 94 28.415 28.415 28.348 0.067 19045 8978 1 12 . 1 1 94 94 GLN H H 94 8.609 8.609 8.936 -0.327 19045 8979 1 12 . 1 1 95 95 THR N N 95 116.128 116.128 116.937 -0.809 19045 8980 1 12 . 1 1 95 95 THR HA H 95 3.811 3.811 3.962 -0.151 19045 8981 1 12 . 1 1 95 95 THR CA C 95 66.391 66.391 66.659 -0.268 19045 8982 1 12 . 1 1 95 95 THR CB C 95 68.361 68.361 68.672 -0.311 19045 8983 1 12 . 1 1 95 95 THR H H 95 7.826 7.826 7.582 0.244 19045 8984 1 12 . 1 1 96 96 MET N N 96 120.474 120.474 117.578 2.896 19045 8985 1 12 . 1 1 96 96 MET HA H 96 3.933 3.933 3.750 0.183 19045 8986 1 12 . 1 1 96 96 MET CA C 96 59.949 59.949 57.899 2.050 19045 8987 1 12 . 1 1 96 96 MET CB C 96 33.087 33.087 31.914 1.173 19045 8988 1 12 . 1 1 96 96 MET H H 96 7.728 7.728 7.329 0.399 19045 8989 1 12 . 1 1 97 97 LEU N N 97 118.904 118.904 120.880 -1.976 19045 8990 1 12 . 1 1 97 97 LEU HA H 97 3.604 3.604 3.728 -0.124 19045 8991 1 12 . 1 1 97 97 LEU CA C 97 57.771 57.771 57.842 -0.070 19045 8992 1 12 . 1 1 97 97 LEU CB C 97 40.836 40.836 40.355 0.481 19045 8993 1 12 . 1 1 97 97 LEU H H 97 8.112 8.112 7.903 0.209 19045 8994 1 12 . 1 1 98 98 GLN N N 98 116.798 116.798 116.733 0.065 19045 8995 1 12 . 1 1 98 98 GLN HA H 98 4.003 4.003 4.165 -0.162 19045 8996 1 12 . 1 1 98 98 GLN CA C 98 58.337 58.337 58.337 0.001 19045 8997 1 12 . 1 1 98 98 GLN CB C 98 27.659 27.659 28.787 -1.128 19045 8998 1 12 . 1 1 98 98 GLN H H 98 7.754 7.754 7.892 -0.138 19045 8999 1 12 . 1 1 99 99 HIS N N 99 115.943 115.943 117.265 -1.322 19045 9000 1 12 . 1 1 99 99 HIS HA H 99 4.442 4.442 4.316 0.126 19045 9001 1 12 . 1 1 99 99 HIS CA C 99 57.025 57.025 56.798 0.227 19045 9002 1 12 . 1 1 99 99 HIS CB C 99 28.848 28.848 30.409 -1.561 19045 9003 1 12 . 1 1 99 99 HIS H H 99 7.504 7.504 7.611 -0.107 19045 9004 1 12 . 1 1 100 100 LEU N N 100 121.347 121.347 120.531 0.816 19045 9005 1 12 . 1 1 100 100 LEU HA H 100 3.803 3.803 3.966 -0.163 19045 9006 1 12 . 1 1 100 100 LEU CA C 100 56.801 56.801 56.912 -0.111 19045 9007 1 12 . 1 1 100 100 LEU CB C 100 42.563 42.563 42.520 0.043 19045 9008 1 12 . 1 1 100 100 LEU H H 100 8.013 8.013 7.619 0.394 19045 9009 1 12 . 1 1 101 101 GLN N N 101 110.029 110.029 114.665 -4.636 19045 9010 1 12 . 1 1 101 101 GLN HA H 101 4.003 4.003 4.142 -0.139 19045 9011 1 12 . 1 1 101 101 GLN CA C 101 55.685 55.685 55.775 -0.090 19045 9012 1 12 . 1 1 101 101 GLN CB C 101 27.301 27.301 26.409 0.892 19045 9013 1 12 . 1 1 101 101 GLN H H 101 7.763 7.763 7.815 -0.052 19045 9014 1 12 . 1 1 102 102 PRO HA H 102 4.926 4.926 4.647 0.279 19045 9015 1 12 . 1 1 102 102 PRO CA C 102 62.372 62.372 62.891 -0.519 19045 9016 1 12 . 1 1 102 102 PRO CB C 102 31.963 31.963 32.886 -0.923 19045 9017 1 12 . 1 1 103 103 THR N N 103 114.119 114.119 110.779 3.340 19045 9018 1 12 . 1 1 103 103 THR HA H 103 4.420 4.420 4.574 -0.153 19045 9019 1 12 . 1 1 103 103 THR CA C 103 58.716 58.716 59.548 -0.832 19045 9020 1 12 . 1 1 103 103 THR CB C 103 72.929 72.929 71.091 1.838 19045 9021 1 12 . 1 1 103 103 THR H H 103 9.386 9.386 8.013 1.373 19045 9022 1 12 . 1 1 104 104 ALA N N 104 120.374 120.374 122.802 -2.428 19045 9023 1 12 . 1 1 104 104 ALA HA H 104 3.737 3.737 4.608 -0.871 19045 9024 1 12 . 1 1 104 104 ALA CA C 104 54.782 54.782 54.153 0.629 19045 9025 1 12 . 1 1 104 104 ALA CB C 104 18.050 18.050 18.969 -0.919 19045 9026 1 12 . 1 1 104 104 ALA H H 104 8.723 8.723 8.634 0.089 19045 9027 1 12 . 1 1 105 105 GLU N N 105 113.834 113.834 117.172 -3.338 19045 9028 1 12 . 1 1 105 105 GLU HA H 105 4.122 4.122 4.336 -0.214 19045 9029 1 12 . 1 1 105 105 GLU CA C 105 58.707 58.707 58.396 0.311 19045 9030 1 12 . 1 1 105 105 GLU CB C 105 29.445 29.445 30.022 -0.577 19045 9031 1 12 . 1 1 105 105 GLU H H 105 7.969 7.969 7.880 0.089 19045 9032 1 12 . 1 1 106 106 ASN N N 106 114.135 114.135 116.334 -2.199 19045 9033 1 12 . 1 1 106 106 ASN HA H 106 4.781 4.781 4.288 0.493 19045 9034 1 12 . 1 1 106 106 ASN CA C 106 52.222 52.222 52.565 -0.343 19045 9035 1 12 . 1 1 106 106 ASN CB C 106 38.983 38.983 37.672 1.311 19045 9036 1 12 . 1 1 106 106 ASN H H 106 7.151 7.151 7.995 -0.844 19045 9037 1 12 . 1 1 107 107 ALA N N 107 121.280 121.280 124.193 -2.913 19045 9038 1 12 . 1 1 107 107 ALA HA H 107 3.858 3.858 3.986 -0.128 19045 9039 1 12 . 1 1 107 107 ALA CA C 107 56.988 56.988 55.802 1.186 19045 9040 1 12 . 1 1 107 107 ALA CB C 107 18.278 18.278 18.548 -0.270 19045 9041 1 12 . 1 1 107 107 ALA H H 107 7.940 7.940 7.323 0.617 19045 9042 1 12 . 1 1 108 108 TYR N N 108 117.339 117.339 116.132 1.207 19045 9043 1 12 . 1 1 108 108 TYR HA H 108 3.048 3.048 3.919 -0.871 19045 9044 1 12 . 1 1 108 108 TYR CA C 108 60.578 60.578 60.157 0.421 19045 9045 1 12 . 1 1 108 108 TYR CB C 108 36.804 36.804 36.851 -0.047 19045 9046 1 12 . 1 1 108 108 TYR H H 108 8.783 8.783 7.939 0.844 19045 9047 1 12 . 1 1 109 109 GLU N N 109 123.316 123.316 120.740 2.576 19045 9048 1 12 . 1 1 109 109 GLU HA H 109 3.681 3.681 3.692 -0.011 19045 9049 1 12 . 1 1 109 109 GLU CA C 109 59.152 59.152 58.549 0.603 19045 9050 1 12 . 1 1 109 109 GLU CB C 109 28.782 28.782 28.337 0.445 19045 9051 1 12 . 1 1 109 109 GLU H H 109 8.084 8.084 7.281 0.803 19045 9052 1 12 . 1 1 110 110 TYR N N 110 117.254 117.254 117.165 0.089 19045 9053 1 12 . 1 1 110 110 TYR HA H 110 4.339 4.339 4.263 0.076 19045 9054 1 12 . 1 1 110 110 TYR CA C 110 58.527 58.527 58.781 -0.254 19045 9055 1 12 . 1 1 110 110 TYR CB C 110 36.323 36.323 38.125 -1.802 19045 9056 1 12 . 1 1 110 110 TYR H H 110 8.282 8.282 7.471 0.811 19045 9057 1 12 . 1 1 111 111 PHE N N 111 119.028 119.028 121.455 -2.427 19045 9058 1 12 . 1 1 111 111 PHE HA H 111 3.889 3.889 4.159 -0.270 19045 9059 1 12 . 1 1 111 111 PHE CA C 111 62.350 62.350 61.033 1.317 19045 9060 1 12 . 1 1 111 111 PHE CB C 111 39.369 39.369 38.991 0.378 19045 9061 1 12 . 1 1 111 111 PHE H H 111 9.197 9.197 8.899 0.298 19045 9062 1 12 . 1 1 112 112 THR N N 112 113.669 113.669 112.702 0.967 19045 9063 1 12 . 1 1 112 112 THR HA H 112 3.411 3.411 3.319 0.092 19045 9064 1 12 . 1 1 112 112 THR CA C 112 67.185 67.185 66.286 0.899 19045 9065 1 12 . 1 1 112 112 THR CB C 112 68.294 68.294 67.892 0.402 19045 9066 1 12 . 1 1 112 112 THR H H 112 8.315 8.315 8.513 -0.198 19045 9067 1 12 . 1 1 113 113 LYS N N 113 124.090 124.090 121.816 2.274 19045 9068 1 12 . 1 1 113 113 LYS HA H 113 3.854 3.854 4.095 -0.241 19045 9069 1 12 . 1 1 113 113 LYS CA C 113 60.416 60.416 58.948 1.468 19045 9070 1 12 . 1 1 113 113 LYS CB C 113 33.219 33.219 32.214 1.005 19045 9071 1 12 . 1 1 113 113 LYS H H 113 8.335 8.335 7.305 1.030 19045 9072 1 12 . 1 1 114 114 ILE N N 114 120.457 120.457 119.581 0.876 19045 9073 1 12 . 1 1 114 114 ILE HA H 114 3.145 3.145 3.648 -0.503 19045 9074 1 12 . 1 1 114 114 ILE CA C 114 65.550 65.550 63.314 2.236 19045 9075 1 12 . 1 1 114 114 ILE CB C 114 37.402 37.402 36.202 1.200 19045 9076 1 12 . 1 1 114 114 ILE H H 114 8.042 8.042 7.845 0.197 19045 9077 1 12 . 1 1 115 115 ALA N N 115 121.066 121.066 122.744 -1.678 19045 9078 1 12 . 1 1 115 115 ALA HA H 115 3.219 3.219 3.932 -0.713 19045 9079 1 12 . 1 1 115 115 ALA CA C 115 54.940 54.940 55.403 -0.463 19045 9080 1 12 . 1 1 115 115 ALA CB C 115 16.345 16.345 17.503 -1.158 19045 9081 1 12 . 1 1 115 115 ALA H H 115 8.208 8.208 8.084 0.124 19045 9082 1 12 . 1 1 116 116 THR N N 116 112.803 112.803 115.214 -2.411 19045 9083 1 12 . 1 1 116 116 THR HA H 116 3.808 3.808 4.150 -0.342 19045 9084 1 12 . 1 1 116 116 THR CA C 116 67.557 67.557 66.479 1.078 19045 9085 1 12 . 1 1 116 116 THR CB C 116 68.431 68.431 68.477 -0.046 19045 9086 1 12 . 1 1 116 116 THR H H 116 7.893 7.893 7.879 0.014 19045 9087 1 12 . 1 1 117 117 SER N N 117 115.935 115.935 115.295 0.640 19045 9088 1 12 . 1 1 117 117 SER HA H 117 4.070 4.070 4.342 -0.272 19045 9089 1 12 . 1 1 117 117 SER CA C 117 61.879 61.879 61.019 0.860 19045 9090 1 12 . 1 1 117 117 SER CB C 117 62.907 62.907 63.160 -0.253 19045 9091 1 12 . 1 1 117 117 SER H H 117 7.139 7.139 7.783 -0.644 19045 9092 1 12 . 1 1 118 118 LEU N N 118 123.462 123.462 123.455 0.007 19045 9093 1 12 . 1 1 118 118 LEU HA H 118 3.596 3.596 3.839 -0.243 19045 9094 1 12 . 1 1 118 118 LEU CA C 118 58.014 58.014 57.584 0.430 19045 9095 1 12 . 1 1 118 118 LEU CB C 118 41.687 41.687 42.181 -0.494 19045 9096 1 12 . 1 1 118 118 LEU H H 118 7.844 7.844 7.816 0.028 19045 9097 1 12 . 1 1 119 119 PHE N N 119 110.270 110.270 112.796 -2.526 19045 9098 1 12 . 1 1 119 119 PHE HA H 119 4.721 4.721 4.736 -0.015 19045 9099 1 12 . 1 1 119 119 PHE CA C 119 58.698 58.698 57.702 0.996 19045 9100 1 12 . 1 1 119 119 PHE CB C 119 38.838 38.838 37.840 0.998 19045 9101 1 12 . 1 1 119 119 PHE H H 119 6.878 6.878 8.457 -1.579 19045 9102 1 12 . 1 1 120 120 GLU N N 120 123.135 123.135 119.838 3.297 19045 9103 1 12 . 1 1 120 120 GLU HA H 120 4.016 4.016 4.192 -0.176 19045 9104 1 12 . 1 1 120 120 GLU CA C 120 59.532 59.532 58.584 0.948 19045 9105 1 12 . 1 1 120 120 GLU CB C 120 29.337 29.337 29.747 -0.410 19045 9106 1 12 . 1 1 120 120 GLU H H 120 7.551 7.551 7.558 -0.007 19045 9107 1 12 . 1 1 121 121 SER N N 121 107.983 107.983 114.066 -6.083 19045 9108 1 12 . 1 1 121 121 SER HA H 121 4.522 4.522 4.375 0.147 19045 9109 1 12 . 1 1 121 121 SER CA C 121 57.342 57.342 59.154 -1.812 19045 9110 1 12 . 1 1 121 121 SER CB C 121 63.353 63.353 64.029 -0.676 19045 9111 1 12 . 1 1 121 121 SER H H 121 7.712 7.712 8.392 -0.680 19045 9112 1 12 . 1 1 122 122 GLY N N 122 110.748 110.748 108.252 2.496 19045 9113 1 12 . 1 1 122 122 GLY CA C 122 44.419 44.419 45.042 -0.623 19045 9114 1 12 . 1 1 122 122 GLY H H 122 7.317 7.317 7.739 -0.422 19045 9115 1 12 . 1 1 123 123 ILE N N 123 117.061 117.061 119.479 -2.418 19045 9116 1 12 . 1 1 123 123 ILE HA H 123 3.724 3.724 4.307 -0.583 19045 9117 1 12 . 1 1 123 123 ILE CA C 123 61.383 61.383 60.219 1.164 19045 9118 1 12 . 1 1 123 123 ILE CB C 123 40.588 40.588 40.692 -0.104 19045 9119 1 12 . 1 1 123 123 ILE H H 123 7.963 7.963 8.107 -0.144 19045 9120 1 12 . 1 1 124 124 ASN N N 124 117.915 117.915 120.664 -2.749 19045 9121 1 12 . 1 1 124 124 ASN HA H 124 4.204 4.204 4.806 -0.602 19045 9122 1 12 . 1 1 124 124 ASN CA C 124 51.886 51.886 52.598 -0.712 19045 9123 1 12 . 1 1 124 124 ASN CB C 124 39.033 39.033 40.459 -1.427 19045 9124 1 12 . 1 1 124 124 ASN H H 124 6.434 6.434 7.721 -1.287 19045 9125 1 12 . 1 1 125 125 TRP N N 125 119.673 119.673 123.163 -3.490 19045 9126 1 12 . 1 1 125 125 TRP HA H 125 4.470 4.470 4.559 -0.089 19045 9127 1 12 . 1 1 125 125 TRP CA C 125 61.257 61.257 60.759 0.498 19045 9128 1 12 . 1 1 125 125 TRP CB C 125 30.287 30.287 29.911 0.376 19045 9129 1 12 . 1 1 125 125 TRP H H 125 8.824 8.824 9.069 -0.245 19045 9130 1 12 . 1 1 126 126 GLY N N 126 107.516 107.516 106.308 1.208 19045 9131 1 12 . 1 1 126 126 GLY CA C 126 48.294 48.294 47.561 0.733 19045 9132 1 12 . 1 1 126 126 GLY H H 126 9.118 9.118 8.229 0.889 19045 9133 1 12 . 1 1 127 127 ARG N N 127 119.610 119.610 121.716 -2.106 19045 9134 1 12 . 1 1 127 127 ARG HA H 127 3.742 3.742 4.007 -0.265 19045 9135 1 12 . 1 1 127 127 ARG CA C 127 59.551 59.551 58.895 0.656 19045 9136 1 12 . 1 1 127 127 ARG CB C 127 31.163 31.163 29.827 1.336 19045 9137 1 12 . 1 1 127 127 ARG H H 127 8.616 8.616 8.323 0.293 19045 9138 1 12 . 1 1 128 128 VAL N N 128 120.289 120.289 120.104 0.185 19045 9139 1 12 . 1 1 128 128 VAL HA H 128 3.662 3.662 4.062 -0.400 19045 9140 1 12 . 1 1 128 128 VAL CA C 128 68.387 68.387 66.171 2.216 19045 9141 1 12 . 1 1 128 128 VAL CB C 128 31.127 31.127 31.191 -0.064 19045 9142 1 12 . 1 1 128 128 VAL H H 128 7.762 7.762 8.069 -0.307 19045 9143 1 12 . 1 1 129 129 VAL N N 129 119.577 119.577 118.151 1.426 19045 9144 1 12 . 1 1 129 129 VAL HA H 129 3.449 3.449 3.686 -0.237 19045 9145 1 12 . 1 1 129 129 VAL CA C 129 67.772 67.772 65.758 2.014 19045 9146 1 12 . 1 1 129 129 VAL CB C 129 30.918 30.918 30.038 0.880 19045 9147 1 12 . 1 1 129 129 VAL H H 129 8.433 8.433 8.184 0.249 19045 9148 1 12 . 1 1 130 130 ALA N N 130 123.330 123.330 123.340 -0.010 19045 9149 1 12 . 1 1 130 130 ALA HA H 130 4.069 4.069 4.058 0.011 19045 9150 1 12 . 1 1 130 130 ALA CA C 130 54.978 54.978 55.260 -0.282 19045 9151 1 12 . 1 1 130 130 ALA CB C 130 17.446 17.446 18.310 -0.864 19045 9152 1 12 . 1 1 130 130 ALA H H 130 8.766 8.766 8.205 0.561 19045 9153 1 12 . 1 1 131 131 LEU N N 131 120.040 120.040 119.956 0.084 19045 9154 1 12 . 1 1 131 131 LEU HA H 131 3.961 3.961 4.606 -0.645 19045 9155 1 12 . 1 1 131 131 LEU CA C 131 58.353 58.353 58.474 -0.121 19045 9156 1 12 . 1 1 131 131 LEU CB C 131 40.750 40.750 42.453 -1.703 19045 9157 1 12 . 1 1 131 131 LEU H H 131 8.178 8.178 8.081 0.097 19045 9158 1 12 . 1 1 132 132 LEU N N 132 119.150 119.150 117.588 1.562 19045 9159 1 12 . 1 1 132 132 LEU HA H 132 3.952 3.952 4.244 -0.292 19045 9160 1 12 . 1 1 132 132 LEU CA C 132 58.620 58.620 57.648 0.973 19045 9161 1 12 . 1 1 132 132 LEU CB C 132 38.835 38.835 40.572 -1.737 19045 9162 1 12 . 1 1 132 132 LEU H H 132 7.927 7.927 7.586 0.341 19045 9163 1 12 . 1 1 133 133 GLY N N 133 107.066 107.066 108.236 -1.170 19045 9164 1 12 . 1 1 133 133 GLY CA C 133 48.339 48.339 47.657 0.682 19045 9165 1 12 . 1 1 133 133 GLY H H 133 8.752 8.752 8.301 0.451 19045 9166 1 12 . 1 1 134 134 PHE N N 134 123.521 123.521 121.488 2.033 19045 9167 1 12 . 1 1 134 134 PHE HA H 134 4.601 4.601 4.535 0.066 19045 9168 1 12 . 1 1 134 134 PHE CA C 134 59.884 59.884 58.587 1.297 19045 9169 1 12 . 1 1 134 134 PHE CB C 134 38.622 38.622 38.323 0.299 19045 9170 1 12 . 1 1 134 134 PHE H H 134 8.606 8.606 8.498 0.108 19045 9171 1 12 . 1 1 135 135 GLY N N 135 106.412 106.412 109.190 -2.778 19045 9172 1 12 . 1 1 135 135 GLY CA C 135 47.731 47.731 47.158 0.573 19045 9173 1 12 . 1 1 135 135 GLY H H 135 8.715 8.715 7.663 1.052 19045 9174 1 12 . 1 1 136 136 TYR N N 136 121.461 121.461 123.448 -1.987 19045 9175 1 12 . 1 1 136 136 TYR HA H 136 4.116 4.116 4.250 -0.134 19045 9176 1 12 . 1 1 136 136 TYR CA C 136 61.564 61.564 61.872 -0.308 19045 9177 1 12 . 1 1 136 136 TYR CB C 136 38.469 38.469 38.818 -0.349 19045 9178 1 12 . 1 1 136 136 TYR H H 136 8.809 8.809 8.020 0.789 19045 9179 1 12 . 1 1 137 137 ARG N N 137 117.518 117.518 119.652 -2.134 19045 9180 1 12 . 1 1 137 137 ARG HA H 137 3.647 3.647 4.130 -0.483 19045 9181 1 12 . 1 1 137 137 ARG CA C 137 58.904 58.904 59.060 -0.156 19045 9182 1 12 . 1 1 137 137 ARG CB C 137 29.189 29.189 29.756 -0.567 19045 9183 1 12 . 1 1 137 137 ARG H H 137 8.646 8.646 7.810 0.836 19045 9184 1 12 . 1 1 138 138 LEU N N 138 121.658 121.658 119.193 2.465 19045 9185 1 12 . 1 1 138 138 LEU HA H 138 3.905 3.905 4.070 -0.165 19045 9186 1 12 . 1 1 138 138 LEU CA C 138 58.454 58.454 58.332 0.122 19045 9187 1 12 . 1 1 138 138 LEU CB C 138 41.801 41.801 42.073 -0.272 19045 9188 1 12 . 1 1 138 138 LEU H H 138 9.065 9.065 8.567 0.498 19045 9189 1 12 . 1 1 139 139 ALA N N 139 120.012 120.012 120.587 -0.575 19045 9190 1 12 . 1 1 139 139 ALA HA H 139 4.004 4.004 3.551 0.453 19045 9191 1 12 . 1 1 139 139 ALA CA C 139 55.174 55.174 54.457 0.717 19045 9192 1 12 . 1 1 139 139 ALA CB C 139 17.943 17.943 18.065 -0.122 19045 9193 1 12 . 1 1 139 139 ALA H H 139 8.237 8.237 7.651 0.586 19045 9194 1 12 . 1 1 140 140 LEU N N 140 119.522 119.522 120.468 -0.946 19045 9195 1 12 . 1 1 140 140 LEU HA H 140 4.000 4.000 4.120 -0.120 19045 9196 1 12 . 1 1 140 140 LEU CA C 140 57.805 57.805 57.823 -0.018 19045 9197 1 12 . 1 1 140 140 LEU CB C 140 42.324 42.324 41.625 0.699 19045 9198 1 12 . 1 1 140 140 LEU H H 140 8.191 8.191 8.092 0.099 19045 9199 1 12 . 1 1 141 141 HIS N N 141 117.834 117.834 118.784 -0.950 19045 9200 1 12 . 1 1 141 141 HIS HA H 141 4.183 4.183 4.307 -0.124 19045 9201 1 12 . 1 1 141 141 HIS CA C 141 60.960 60.960 60.035 0.925 19045 9202 1 12 . 1 1 141 141 HIS CB C 141 31.708 31.708 30.192 1.516 19045 9203 1 12 . 1 1 141 141 HIS H H 141 8.253 8.253 8.292 -0.039 19045 9204 1 12 . 1 1 142 142 VAL N N 142 113.700 113.700 114.779 -1.079 19045 9205 1 12 . 1 1 142 142 VAL HA H 142 3.887 3.887 4.156 -0.269 19045 9206 1 12 . 1 1 142 142 VAL CA C 142 65.948 65.948 63.790 2.158 19045 9207 1 12 . 1 1 142 142 VAL CB C 142 30.264 30.264 31.768 -1.504 19045 9208 1 12 . 1 1 142 142 VAL H H 142 8.455 8.455 7.183 1.272 19045 9209 1 12 . 1 1 143 143 TYR N N 143 123.307 123.307 122.765 0.542 19045 9210 1 12 . 1 1 143 143 TYR HA H 143 4.320 4.320 4.205 0.115 19045 9211 1 12 . 1 1 143 143 TYR CA C 143 61.934 61.934 61.857 0.077 19045 9212 1 12 . 1 1 143 143 TYR CB C 143 38.779 38.779 38.441 0.338 19045 9213 1 12 . 1 1 143 143 TYR H H 143 7.750 7.750 8.497 -0.747 19045 9214 1 12 . 1 1 144 144 GLN N N 144 118.560 118.560 118.694 -0.134 19045 9215 1 12 . 1 1 144 144 GLN HA H 144 3.686 3.686 3.864 -0.178 19045 9216 1 12 . 1 1 144 144 GLN CA C 144 58.055 58.055 58.887 -0.832 19045 9217 1 12 . 1 1 144 144 GLN CB C 144 27.859 27.859 28.372 -0.513 19045 9218 1 12 . 1 1 144 144 GLN H H 144 8.486 8.486 8.389 0.097 19045 9219 1 12 . 1 1 145 145 HIS N N 145 114.312 114.312 115.730 -1.418 19045 9220 1 12 . 1 1 145 145 HIS HA H 145 4.330 4.330 4.487 -0.157 19045 9221 1 12 . 1 1 145 145 HIS CA C 145 56.178 56.178 57.137 -0.959 19045 9222 1 12 . 1 1 145 145 HIS CB C 145 27.751 27.751 30.664 -2.913 19045 9223 1 12 . 1 1 145 145 HIS H H 145 7.350 7.350 7.537 -0.187 19045 9224 1 12 . 1 1 146 146 GLY N N 146 106.537 106.537 107.095 -0.558 19045 9225 1 12 . 1 1 146 146 GLY CA C 146 45.715 45.715 44.880 0.835 19045 9226 1 12 . 1 1 146 146 GLY H H 146 7.471 7.471 7.822 -0.351 19045 9227 1 12 . 1 1 147 147 LEU N N 147 123.302 123.302 124.128 -0.826 19045 9228 1 12 . 1 1 147 147 LEU HA H 147 4.496 4.496 4.906 -0.410 19045 9229 1 12 . 1 1 147 147 LEU CA C 147 54.259 54.259 56.299 -2.040 19045 9230 1 12 . 1 1 147 147 LEU CB C 147 41.033 41.033 42.720 -1.687 19045 9231 1 12 . 1 1 147 147 LEU H H 147 7.933 7.933 8.674 -0.741 19045 9232 1 12 . 1 1 148 148 THR HA H 148 4.523 4.523 4.391 0.132 19045 9233 1 12 . 1 1 148 148 THR CA C 148 61.027 61.027 62.581 -1.554 19045 9234 1 12 . 1 1 148 148 THR CB C 148 70.359 70.359 68.284 2.075 19045 9235 1 12 . 1 1 149 149 GLY CA C 149 47.016 47.016 44.625 2.391 19045 9236 1 12 . 1 1 149 149 GLY H H 149 8.458 8.458 7.994 0.464 19045 9237 1 12 . 1 1 150 150 PHE N N 150 123.408 123.408 121.783 1.625 19045 9238 1 12 . 1 1 150 150 PHE HA H 150 4.555 4.555 4.655 -0.100 19045 9239 1 12 . 1 1 150 150 PHE CA C 150 57.964 57.964 58.835 -0.871 19045 9240 1 12 . 1 1 150 150 PHE CB C 150 42.911 42.911 39.975 2.936 19045 9241 1 12 . 1 1 150 150 PHE H H 150 9.331 9.331 8.639 0.692 19045 9242 1 12 . 1 1 151 151 LEU N N 151 123.032 123.032 119.576 3.456 19045 9243 1 12 . 1 1 151 151 LEU HA H 151 3.859 3.859 3.850 0.009 19045 9244 1 12 . 1 1 151 151 LEU CA C 151 58.454 58.454 58.770 -0.316 19045 9245 1 12 . 1 1 151 151 LEU CB C 151 40.948 40.948 40.188 0.760 19045 9246 1 12 . 1 1 151 151 LEU H H 151 8.470 8.470 7.912 0.558 19045 9247 1 12 . 1 1 152 152 GLY N N 152 108.386 108.386 106.231 2.155 19045 9248 1 12 . 1 1 152 152 GLY CA C 152 46.676 46.676 46.838 -0.162 19045 9249 1 12 . 1 1 152 152 GLY H H 152 8.577 8.577 8.287 0.290 19045 9250 1 12 . 1 1 153 153 GLN N N 153 122.055 122.055 121.080 0.975 19045 9251 1 12 . 1 1 153 153 GLN HA H 153 3.532 3.532 3.579 -0.047 19045 9252 1 12 . 1 1 153 153 GLN CA C 153 57.844 57.844 58.802 -0.958 19045 9253 1 12 . 1 1 153 153 GLN CB C 153 26.442 26.442 28.209 -1.767 19045 9254 1 12 . 1 1 153 153 GLN H H 153 7.106 7.106 7.766 -0.660 19045 9255 1 12 . 1 1 154 154 VAL N N 154 116.706 116.706 119.786 -3.080 19045 9256 1 12 . 1 1 154 154 VAL HA H 154 2.428 2.428 3.616 -1.188 19045 9257 1 12 . 1 1 154 154 VAL CA C 154 66.089 66.089 66.530 -0.441 19045 9258 1 12 . 1 1 154 154 VAL CB C 154 31.463 31.463 31.339 0.124 19045 9259 1 12 . 1 1 154 154 VAL H H 154 7.033 7.033 8.481 -1.448 19045 9260 1 12 . 1 1 155 155 THR N N 155 114.165 114.165 116.256 -2.091 19045 9261 1 12 . 1 1 155 155 THR HA H 155 3.317 3.317 2.831 0.486 19045 9262 1 12 . 1 1 155 155 THR CA C 155 67.050 67.050 66.346 0.704 19045 9263 1 12 . 1 1 155 155 THR CB C 155 68.307 68.307 68.094 0.213 19045 9264 1 12 . 1 1 155 155 THR H H 155 7.860 7.860 7.828 0.032 19045 9265 1 12 . 1 1 156 156 ARG N N 156 119.890 119.890 120.245 -0.355 19045 9266 1 12 . 1 1 156 156 ARG HA H 156 3.769 3.769 3.929 -0.160 19045 9267 1 12 . 1 1 156 156 ARG CA C 156 58.769 58.769 58.528 0.241 19045 9268 1 12 . 1 1 156 156 ARG CB C 156 28.693 28.693 29.276 -0.584 19045 9269 1 12 . 1 1 156 156 ARG H H 156 7.019 7.019 7.801 -0.782 19045 9270 1 12 . 1 1 157 157 PHE N N 157 118.242 118.242 119.875 -1.633 19045 9271 1 12 . 1 1 157 157 PHE HA H 157 4.426 4.426 4.352 0.074 19045 9272 1 12 . 1 1 157 157 PHE CA C 157 56.928 56.928 61.498 -4.570 19045 9273 1 12 . 1 1 157 157 PHE CB C 157 35.794 35.794 38.300 -2.506 19045 9274 1 12 . 1 1 157 157 PHE H H 157 8.030 8.030 8.195 -0.165 19045 9275 1 12 . 1 1 158 158 VAL N N 158 118.961 118.961 119.312 -0.351 19045 9276 1 12 . 1 1 158 158 VAL HA H 158 3.425 3.425 4.515 -1.090 19045 9277 1 12 . 1 1 158 158 VAL CA C 158 67.288 67.288 67.921 -0.633 19045 9278 1 12 . 1 1 158 158 VAL CB C 158 31.554 31.554 31.896 -0.342 19045 9279 1 12 . 1 1 158 158 VAL H H 158 7.607 7.607 8.624 -1.017 19045 9280 1 12 . 1 1 159 159 VAL N N 159 119.773 119.773 119.571 0.202 19045 9281 1 12 . 1 1 159 159 VAL HA H 159 3.358 3.358 3.675 -0.317 19045 9282 1 12 . 1 1 159 159 VAL CA C 159 67.570 67.570 65.341 2.229 19045 9283 1 12 . 1 1 159 159 VAL CB C 159 32.355 32.355 30.967 1.388 19045 9284 1 12 . 1 1 159 159 VAL H H 159 8.039 8.039 7.671 0.368 19045 9285 1 12 . 1 1 160 160 ASP N N 160 118.382 118.382 121.713 -3.331 19045 9286 1 12 . 1 1 160 160 ASP HA H 160 4.293 4.293 4.268 0.025 19045 9287 1 12 . 1 1 160 160 ASP CA C 160 57.567 57.567 57.659 -0.092 19045 9288 1 12 . 1 1 160 160 ASP CB C 160 41.474 41.474 40.796 0.678 19045 9289 1 12 . 1 1 160 160 ASP H H 160 8.752 8.752 8.224 0.528 19045 9290 1 12 . 1 1 161 161 PHE N N 161 119.972 119.972 116.863 3.109 19045 9291 1 12 . 1 1 161 161 PHE HA H 161 4.175 4.175 4.559 -0.384 19045 9292 1 12 . 1 1 161 161 PHE CA C 161 62.688 62.688 59.663 3.025 19045 9293 1 12 . 1 1 161 161 PHE CB C 161 39.789 39.789 39.250 0.539 19045 9294 1 12 . 1 1 161 161 PHE H H 161 8.558 8.558 8.197 0.361 19045 9295 1 12 . 1 1 162 162 MET N N 162 116.261 116.261 121.041 -4.780 19045 9296 1 12 . 1 1 162 162 MET HA H 162 3.702 3.702 3.217 0.485 19045 9297 1 12 . 1 1 162 162 MET CA C 162 59.342 59.342 58.554 0.788 19045 9298 1 12 . 1 1 162 162 MET CB C 162 32.081 32.081 32.141 -0.060 19045 9299 1 12 . 1 1 162 162 MET H H 162 8.597 8.597 7.523 1.074 19045 9300 1 12 . 1 1 163 163 LEU N N 163 119.069 119.069 113.721 5.348 19045 9301 1 12 . 1 1 163 163 LEU HA H 163 3.952 3.952 4.035 -0.084 19045 9302 1 12 . 1 1 163 163 LEU CA C 163 57.856 57.856 55.372 2.484 19045 9303 1 12 . 1 1 163 163 LEU CB C 163 42.236 42.236 41.598 0.638 19045 9304 1 12 . 1 1 163 163 LEU H H 163 8.291 8.291 7.477 0.814 19045 9305 1 12 . 1 1 164 164 HIS N N 164 113.591 113.591 115.556 -1.965 19045 9306 1 12 . 1 1 164 164 HIS HA H 164 4.430 4.430 4.742 -0.312 19045 9307 1 12 . 1 1 164 164 HIS CA C 164 57.289 57.289 55.671 1.618 19045 9308 1 12 . 1 1 164 164 HIS CB C 164 28.766 28.766 30.015 -1.249 19045 9309 1 12 . 1 1 164 164 HIS H H 164 8.111 8.111 7.524 0.587 19045 9310 1 12 . 1 1 165 165 HIS N N 165 115.730 115.730 118.279 -2.549 19045 9311 1 12 . 1 1 165 165 HIS HA H 165 4.602 4.602 4.779 -0.177 19045 9312 1 12 . 1 1 165 165 HIS CA C 165 54.752 54.752 55.976 -1.224 19045 9313 1 12 . 1 1 165 165 HIS CB C 165 26.766 26.766 30.529 -3.763 19045 9314 1 12 . 1 1 165 165 HIS H H 165 7.789 7.789 7.762 0.027 19045 9315 1 12 . 1 1 166 166 CYS N N 166 109.533 109.533 116.757 -7.224 19045 9316 1 12 . 1 1 166 166 CYS HA H 166 4.274 4.274 4.108 0.166 19045 9317 1 12 . 1 1 166 166 CYS CA C 166 61.452 61.452 60.693 0.759 19045 9318 1 12 . 1 1 166 166 CYS CB C 166 25.215 25.215 26.324 -1.109 19045 9319 1 12 . 1 1 166 166 CYS H H 166 7.761 7.761 8.642 -0.881 19045 9320 1 12 . 1 1 167 167 ILE N N 167 119.980 119.980 120.149 -0.169 19045 9321 1 12 . 1 1 167 167 ILE HA H 167 3.563 3.563 3.804 -0.241 19045 9322 1 12 . 1 1 167 167 ILE CA C 167 62.212 62.212 62.756 -0.544 19045 9323 1 12 . 1 1 167 167 ILE CB C 167 35.969 35.969 36.387 -0.418 19045 9324 1 12 . 1 1 167 167 ILE H H 167 7.574 7.574 7.534 0.040 19045 9325 1 12 . 1 1 168 168 ALA N N 168 121.737 121.737 123.318 -1.581 19045 9326 1 12 . 1 1 168 168 ALA HA H 168 3.775 3.775 3.856 -0.081 19045 9327 1 12 . 1 1 168 168 ALA CA C 168 55.082 55.082 55.710 -0.628 19045 9328 1 12 . 1 1 168 168 ALA CB C 168 16.505 16.505 18.082 -1.577 19045 9329 1 12 . 1 1 168 168 ALA H H 168 7.935 7.935 7.529 0.406 19045 9330 1 12 . 1 1 169 169 ARG N N 169 118.369 118.369 117.981 0.388 19045 9331 1 12 . 1 1 169 169 ARG HA H 169 3.550 3.550 3.979 -0.429 19045 9332 1 12 . 1 1 169 169 ARG CA C 169 59.581 59.581 58.309 1.272 19045 9333 1 12 . 1 1 169 169 ARG CB C 169 29.380 29.380 29.119 0.261 19045 9334 1 12 . 1 1 169 169 ARG H H 169 7.936 7.936 8.422 -0.486 19045 9335 1 12 . 1 1 170 170 TRP N N 170 121.173 121.173 121.810 -0.637 19045 9336 1 12 . 1 1 170 170 TRP HA H 170 3.763 3.763 4.212 -0.449 19045 9337 1 12 . 1 1 170 170 TRP CA C 170 62.080 62.080 60.860 1.220 19045 9338 1 12 . 1 1 170 170 TRP CB C 170 29.423 29.423 29.140 0.283 19045 9339 1 12 . 1 1 170 170 TRP H H 170 7.259 7.259 7.319 -0.060 19045 9340 1 12 . 1 1 171 171 ILE N N 171 117.994 117.994 118.619 -0.625 19045 9341 1 12 . 1 1 171 171 ILE HA H 171 2.864 2.864 2.976 -0.112 19045 9342 1 12 . 1 1 171 171 ILE CA C 171 65.347 65.347 64.776 0.571 19045 9343 1 12 . 1 1 171 171 ILE CB C 171 37.781 37.781 37.522 0.259 19045 9344 1 12 . 1 1 171 171 ILE H H 171 8.074 8.074 8.269 -0.195 19045 9345 1 12 . 1 1 172 172 ALA N N 172 123.588 123.588 120.862 2.726 19045 9346 1 12 . 1 1 172 172 ALA HA H 172 3.506 3.506 3.872 -0.366 19045 9347 1 12 . 1 1 172 172 ALA CA C 172 55.685 55.685 54.916 0.769 19045 9348 1 12 . 1 1 172 172 ALA CB C 172 17.050 17.050 18.303 -1.253 19045 9349 1 12 . 1 1 172 172 ALA H H 172 8.511 8.511 7.887 0.624 19045 9350 1 12 . 1 1 173 173 GLN N N 173 117.382 117.382 116.006 1.376 19045 9351 1 12 . 1 1 173 173 GLN HA H 173 3.854 3.854 3.973 -0.119 19045 9352 1 12 . 1 1 173 173 GLN CA C 173 57.904 57.904 57.541 0.363 19045 9353 1 12 . 1 1 173 173 GLN CB C 173 28.141 28.141 28.714 -0.573 19045 9354 1 12 . 1 1 173 173 GLN H H 173 7.898 7.898 7.594 0.304 19045 9355 1 12 . 1 1 174 174 ARG N N 174 116.800 116.800 116.274 0.526 19045 9356 1 12 . 1 1 174 174 ARG HA H 174 4.097 4.097 4.074 0.023 19045 9357 1 12 . 1 1 174 174 ARG CA C 174 55.395 55.395 55.757 -0.362 19045 9358 1 12 . 1 1 174 174 ARG CB C 174 29.652 29.652 30.149 -0.497 19045 9359 1 12 . 1 1 174 174 ARG H H 174 6.984 6.984 7.416 -0.432 19045 9360 1 12 . 1 1 175 175 GLY N N 175 104.194 104.194 105.657 -1.463 19045 9361 1 12 . 1 1 175 175 GLY CA C 175 44.340 44.340 44.634 -0.294 19045 9362 1 12 . 1 1 175 175 GLY H H 175 7.418 7.418 7.077 0.341 19045 9363 1 12 . 1 1 176 176 GLY N N 176 107.629 107.629 107.345 0.284 19045 9364 1 12 . 1 1 176 176 GLY CA C 176 43.501 43.501 44.876 -1.375 19045 9365 1 12 . 1 1 176 176 GLY H H 176 8.072 8.072 7.592 0.480 19045 9366 1 12 . 1 1 177 177 TRP N N 177 117.887 117.887 121.495 -3.608 19045 9367 1 12 . 1 1 177 177 TRP HA H 177 4.476 4.476 4.710 -0.234 19045 9368 1 12 . 1 1 177 177 TRP CA C 177 61.083 61.083 59.886 1.197 19045 9369 1 12 . 1 1 177 177 TRP CB C 177 30.927 30.927 29.508 1.419 19045 9370 1 12 . 1 1 177 177 TRP H H 177 8.218 8.218 8.858 -0.640 19045 9371 1 12 . 1 1 178 178 VAL N N 178 112.929 112.929 118.448 -5.519 19045 9372 1 12 . 1 1 178 178 VAL HA H 178 3.688 3.688 3.961 -0.273 19045 9373 1 12 . 1 1 178 178 VAL CA C 178 64.680 64.680 64.035 0.645 19045 9374 1 12 . 1 1 178 178 VAL CB C 178 31.057 31.057 30.894 0.163 19045 9375 1 12 . 1 1 178 178 VAL H H 178 8.284 8.284 7.893 0.391 19045 9376 1 12 . 1 1 179 179 ALA N N 179 125.101 125.101 122.322 2.779 19045 9377 1 12 . 1 1 179 179 ALA HA H 179 4.009 4.009 4.451 -0.442 19045 9378 1 12 . 1 1 179 179 ALA CA C 179 54.344 54.344 52.983 1.361 19045 9379 1 12 . 1 1 179 179 ALA CB C 179 18.555 18.555 18.841 -0.286 19045 9380 1 12 . 1 1 179 179 ALA H H 179 7.670 7.670 7.898 -0.228 19045 9381 1 12 . 1 1 180 180 ALA N N 180 119.081 119.081 122.159 -3.078 19045 9382 1 12 . 1 1 180 180 ALA HA H 180 3.293 3.293 3.598 -0.305 19045 9383 1 12 . 1 1 180 180 ALA CA C 180 52.783 52.783 53.873 -1.090 19045 9384 1 12 . 1 1 180 180 ALA CB C 180 18.113 18.113 17.942 0.171 19045 9385 1 12 . 1 1 180 180 ALA H H 180 8.058 8.058 7.441 0.617 19045 9386 1 12 . 1 1 181 181 LEU N N 181 114.169 114.169 114.392 -0.223 19045 9387 1 12 . 1 1 181 181 LEU HA H 181 3.911 3.911 4.121 -0.210 19045 9388 1 12 . 1 1 181 181 LEU CA C 181 56.128 56.128 56.516 -0.388 19045 9389 1 12 . 1 1 181 181 LEU CB C 181 40.955 40.955 41.381 -0.426 19045 9390 1 12 . 1 1 181 181 LEU H H 181 7.342 7.342 8.035 -0.693 19045 9391 1 12 . 1 1 182 182 ASN N N 182 115.061 115.061 117.426 -2.365 19045 9392 1 12 . 1 1 182 182 ASN HA H 182 4.743 4.743 4.773 -0.030 19045 9393 1 12 . 1 1 182 182 ASN CA C 182 52.508 52.508 53.063 -0.555 19045 9394 1 12 . 1 1 182 182 ASN CB C 182 39.091 39.091 38.529 0.562 19045 9395 1 12 . 1 1 182 182 ASN H H 182 7.289 7.289 7.513 -0.224 19045 9396 1 12 . 1 1 183 183 LEU N N 183 119.889 119.889 119.017 0.872 19045 9397 1 12 . 1 1 183 183 LEU HA H 183 4.125 4.125 4.585 -0.460 19045 9398 1 12 . 1 1 183 183 LEU CA C 183 55.201 55.201 53.963 1.238 19045 9399 1 12 . 1 1 183 183 LEU CB C 183 42.174 42.174 44.307 -2.134 19045 9400 1 12 . 1 1 183 183 LEU H H 183 7.148 7.148 7.469 -0.321 19045 9401 1 12 . 1 1 184 184 GLY N N 184 107.883 107.883 110.752 -2.869 19045 9402 1 12 . 1 1 184 184 GLY CA C 184 45.256 45.256 47.001 -1.744 19045 9403 1 12 . 1 1 184 184 GLY H H 184 8.486 8.486 8.654 -0.168 19045 9404 1 12 . 1 1 185 185 ASN N N 185 118.093 118.093 123.726 -5.633 19045 9405 1 12 . 1 1 185 185 ASN HA H 185 4.755 4.755 4.686 0.069 19045 9406 1 12 . 1 1 185 185 ASN CA C 185 52.812 52.812 53.030 -0.218 19045 9407 1 12 . 1 1 185 185 ASN CB C 185 39.297 39.297 39.008 0.289 19045 9408 1 12 . 1 1 185 185 ASN H H 185 8.074 8.074 8.625 -0.551 19045 9409 1 13 . 1 1 19 19 LEU N N 19 122.834 122.834 123.527 -0.693 19045 9410 1 13 . 1 1 19 19 LEU HA H 19 4.523 4.523 4.759 -0.236 19045 9411 1 13 . 1 1 19 19 LEU CA C 19 52.690 52.690 53.051 -0.361 19045 9412 1 13 . 1 1 19 19 LEU CB C 19 41.808 41.808 42.253 -0.445 19045 9413 1 13 . 1 1 19 19 LEU H H 19 8.080 8.080 8.018 0.062 19045 9414 1 13 . 1 1 20 20 PRO HA H 20 4.353 4.353 4.432 -0.079 19045 9415 1 13 . 1 1 20 20 PRO CA C 20 62.826 62.826 62.743 0.083 19045 9416 1 13 . 1 1 20 20 PRO CB C 20 31.969 31.969 32.155 -0.186 19045 9417 1 13 . 1 1 21 21 SER N N 21 116.268 116.268 114.125 2.143 19045 9418 1 13 . 1 1 21 21 SER HA H 21 4.249 4.249 4.185 0.064 19045 9419 1 13 . 1 1 21 21 SER CA C 21 58.338 58.338 58.606 -0.268 19045 9420 1 13 . 1 1 21 21 SER CB C 21 63.856 63.856 63.624 0.232 19045 9421 1 13 . 1 1 21 21 SER H H 21 8.246 8.246 8.338 -0.092 19045 9422 1 13 . 1 1 22 22 ALA N N 22 125.246 125.246 124.299 0.947 19045 9423 1 13 . 1 1 22 22 ALA HA H 22 4.405 4.405 4.201 0.204 19045 9424 1 13 . 1 1 22 22 ALA CA C 22 52.086 52.086 52.910 -0.824 19045 9425 1 13 . 1 1 22 22 ALA CB C 22 19.582 19.582 19.341 0.241 19045 9426 1 13 . 1 1 22 22 ALA H H 22 8.192 8.192 8.340 -0.148 19045 9427 1 13 . 1 1 23 23 SER N N 23 114.236 114.236 114.835 -0.599 19045 9428 1 13 . 1 1 23 23 SER HA H 23 4.469 4.469 4.647 -0.178 19045 9429 1 13 . 1 1 23 23 SER CA C 23 57.386 57.386 56.585 0.801 19045 9430 1 13 . 1 1 23 23 SER CB C 23 64.582 64.582 65.396 -0.814 19045 9431 1 13 . 1 1 23 23 SER H H 23 8.081 8.081 8.143 -0.062 19045 9432 1 13 . 1 1 24 24 GLU N N 24 124.005 124.005 123.068 0.937 19045 9433 1 13 . 1 1 24 24 GLU HA H 24 3.534 3.534 3.877 -0.343 19045 9434 1 13 . 1 1 24 24 GLU CA C 24 59.772 59.772 60.071 -0.299 19045 9435 1 13 . 1 1 24 24 GLU CB C 24 29.798 29.798 29.030 0.768 19045 9436 1 13 . 1 1 24 24 GLU H H 24 8.702 8.702 8.952 -0.250 19045 9437 1 13 . 1 1 25 25 GLU N N 25 118.390 118.390 119.166 -0.776 19045 9438 1 13 . 1 1 25 25 GLU HA H 25 3.796 3.796 3.941 -0.145 19045 9439 1 13 . 1 1 25 25 GLU CA C 25 59.939 59.939 59.215 0.724 19045 9440 1 13 . 1 1 25 25 GLU CB C 25 29.217 29.217 28.358 0.859 19045 9441 1 13 . 1 1 25 25 GLU H H 25 8.559 8.559 8.844 -0.285 19045 9442 1 13 . 1 1 26 26 GLN N N 26 120.776 120.776 119.484 1.292 19045 9443 1 13 . 1 1 26 26 GLN HA H 26 3.916 3.916 4.199 -0.283 19045 9444 1 13 . 1 1 26 26 GLN CA C 26 58.343 58.343 58.204 0.139 19045 9445 1 13 . 1 1 26 26 GLN CB C 26 28.119 28.119 28.175 -0.056 19045 9446 1 13 . 1 1 26 26 GLN H H 26 7.764 7.764 7.719 0.045 19045 9447 1 13 . 1 1 27 27 VAL N N 27 118.723 118.723 121.636 -2.913 19045 9448 1 13 . 1 1 27 27 VAL HA H 27 3.933 3.933 3.740 0.193 19045 9449 1 13 . 1 1 27 27 VAL CA C 27 66.285 66.285 66.804 -0.519 19045 9450 1 13 . 1 1 27 27 VAL CB C 27 31.596 31.596 31.613 -0.017 19045 9451 1 13 . 1 1 27 27 VAL H H 27 8.062 8.062 8.147 -0.085 19045 9452 1 13 . 1 1 28 28 ALA N N 28 122.902 122.902 122.002 0.900 19045 9453 1 13 . 1 1 28 28 ALA HA H 28 4.026 4.026 3.926 0.100 19045 9454 1 13 . 1 1 28 28 ALA CA C 28 56.178 56.178 55.592 0.586 19045 9455 1 13 . 1 1 28 28 ALA CB C 28 18.463 18.463 18.052 0.411 19045 9456 1 13 . 1 1 28 28 ALA H H 28 8.412 8.412 8.209 0.203 19045 9457 1 13 . 1 1 29 29 GLN N N 29 117.996 117.996 118.830 -0.834 19045 9458 1 13 . 1 1 29 29 GLN HA H 29 4.084 4.084 4.224 -0.140 19045 9459 1 13 . 1 1 29 29 GLN CA C 29 59.063 59.063 58.772 0.291 19045 9460 1 13 . 1 1 29 29 GLN CB C 29 28.452 28.452 28.739 -0.287 19045 9461 1 13 . 1 1 29 29 GLN H H 29 7.900 7.900 7.885 0.015 19045 9462 1 13 . 1 1 30 30 ASP N N 30 121.907 121.907 119.196 2.711 19045 9463 1 13 . 1 1 30 30 ASP HA H 30 4.521 4.521 4.336 0.185 19045 9464 1 13 . 1 1 30 30 ASP CA C 30 57.038 57.038 57.280 -0.242 19045 9465 1 13 . 1 1 30 30 ASP CB C 30 41.939 41.939 40.316 1.623 19045 9466 1 13 . 1 1 30 30 ASP H H 30 8.888 8.888 8.261 0.627 19045 9467 1 13 . 1 1 31 31 THR N N 31 114.861 114.861 116.613 -1.752 19045 9468 1 13 . 1 1 31 31 THR HA H 31 3.493 3.493 3.331 0.162 19045 9469 1 13 . 1 1 31 31 THR CA C 31 66.946 66.946 66.900 0.046 19045 9470 1 13 . 1 1 31 31 THR CB C 31 68.523 68.523 68.859 -0.336 19045 9471 1 13 . 1 1 31 31 THR H H 31 8.069 8.069 8.178 -0.109 19045 9472 1 13 . 1 1 32 32 GLU N N 32 120.848 120.848 120.774 0.074 19045 9473 1 13 . 1 1 32 32 GLU HA H 32 3.597 3.597 3.935 -0.338 19045 9474 1 13 . 1 1 32 32 GLU CA C 32 60.899 60.899 59.481 1.418 19045 9475 1 13 . 1 1 32 32 GLU CB C 32 28.963 28.963 28.856 0.107 19045 9476 1 13 . 1 1 32 32 GLU H H 32 7.578 7.578 8.048 -0.470 19045 9477 1 13 . 1 1 33 33 GLU N N 33 117.741 117.741 120.027 -2.286 19045 9478 1 13 . 1 1 33 33 GLU HA H 33 3.938 3.938 4.024 -0.086 19045 9479 1 13 . 1 1 33 33 GLU CA C 33 58.768 58.768 59.168 -0.400 19045 9480 1 13 . 1 1 33 33 GLU CB C 33 29.708 29.708 29.561 0.147 19045 9481 1 13 . 1 1 33 33 GLU H H 33 7.446 7.446 7.875 -0.429 19045 9482 1 13 . 1 1 34 34 VAL N N 34 120.239 120.239 119.336 0.903 19045 9483 1 13 . 1 1 34 34 VAL HA H 34 3.108 3.108 3.622 -0.514 19045 9484 1 13 . 1 1 34 34 VAL CA C 34 66.979 66.979 65.829 1.150 19045 9485 1 13 . 1 1 34 34 VAL CB C 34 31.884 31.884 30.657 1.226 19045 9486 1 13 . 1 1 34 34 VAL H H 34 7.792 7.792 8.129 -0.337 19045 9487 1 13 . 1 1 35 35 PHE N N 35 117.559 117.559 121.537 -3.978 19045 9488 1 13 . 1 1 35 35 PHE HA H 35 4.209 4.209 3.989 0.220 19045 9489 1 13 . 1 1 35 35 PHE CA C 35 61.592 61.592 61.949 -0.357 19045 9490 1 13 . 1 1 35 35 PHE CB C 35 39.066 39.066 38.950 0.116 19045 9491 1 13 . 1 1 35 35 PHE H H 35 8.895 8.895 8.411 0.484 19045 9492 1 13 . 1 1 36 36 ARG N N 36 116.705 116.705 118.300 -1.595 19045 9493 1 13 . 1 1 36 36 ARG HA H 36 3.555 3.555 3.514 0.041 19045 9494 1 13 . 1 1 36 36 ARG CA C 36 59.906 59.906 59.262 0.644 19045 9495 1 13 . 1 1 36 36 ARG CB C 36 29.654 29.654 29.664 -0.010 19045 9496 1 13 . 1 1 36 36 ARG H H 36 8.182 8.182 8.172 0.010 19045 9497 1 13 . 1 1 37 37 SER N N 37 112.628 112.628 114.775 -2.147 19045 9498 1 13 . 1 1 37 37 SER HA H 37 4.122 4.122 4.170 -0.048 19045 9499 1 13 . 1 1 37 37 SER CA C 37 61.258 61.258 61.570 -0.312 19045 9500 1 13 . 1 1 37 37 SER CB C 37 63.089 63.089 63.121 -0.032 19045 9501 1 13 . 1 1 37 37 SER H H 37 7.845 7.845 8.149 -0.304 19045 9502 1 13 . 1 1 38 38 TYR N N 38 122.458 122.458 124.012 -1.554 19045 9503 1 13 . 1 1 38 38 TYR HA H 38 3.927 3.927 4.069 -0.142 19045 9504 1 13 . 1 1 38 38 TYR CA C 38 62.006 62.006 61.568 0.438 19045 9505 1 13 . 1 1 38 38 TYR CB C 38 38.892 38.892 38.640 0.252 19045 9506 1 13 . 1 1 38 38 TYR H H 38 8.793 8.793 8.118 0.675 19045 9507 1 13 . 1 1 39 39 VAL N N 39 115.951 115.951 116.905 -0.954 19045 9508 1 13 . 1 1 39 39 VAL HA H 39 3.209 3.209 3.427 -0.218 19045 9509 1 13 . 1 1 39 39 VAL CA C 39 65.982 65.982 65.650 0.332 19045 9510 1 13 . 1 1 39 39 VAL CB C 39 30.884 30.884 30.278 0.606 19045 9511 1 13 . 1 1 39 39 VAL H H 39 8.348 8.348 7.998 0.350 19045 9512 1 13 . 1 1 40 40 PHE N N 40 119.608 119.608 122.146 -2.538 19045 9513 1 13 . 1 1 40 40 PHE HA H 40 3.915 3.915 4.129 -0.214 19045 9514 1 13 . 1 1 40 40 PHE CA C 40 61.651 61.651 61.103 0.548 19045 9515 1 13 . 1 1 40 40 PHE CB C 40 39.411 39.411 39.039 0.372 19045 9516 1 13 . 1 1 40 40 PHE H H 40 7.596 7.596 7.948 -0.352 19045 9517 1 13 . 1 1 41 41 TYR N N 41 117.686 117.686 120.228 -2.542 19045 9518 1 13 . 1 1 41 41 TYR HA H 41 3.818 3.818 3.980 -0.162 19045 9519 1 13 . 1 1 41 41 TYR CA C 41 63.446 63.446 59.501 3.945 19045 9520 1 13 . 1 1 41 41 TYR CB C 41 37.528 37.528 38.073 -0.545 19045 9521 1 13 . 1 1 41 41 TYR H H 41 8.578 8.578 8.144 0.434 19045 9522 1 13 . 1 1 42 42 ARG N N 42 121.382 121.382 118.885 2.497 19045 9523 1 13 . 1 1 42 42 ARG HA H 42 3.581 3.581 3.842 -0.261 19045 9524 1 13 . 1 1 42 42 ARG CA C 42 57.999 57.999 59.445 -1.446 19045 9525 1 13 . 1 1 42 42 ARG CB C 42 26.992 26.992 29.794 -2.803 19045 9526 1 13 . 1 1 42 42 ARG H H 42 8.784 8.784 8.019 0.765 19045 9527 1 13 . 1 1 43 43 HIS N N 43 118.684 118.684 119.615 -0.931 19045 9528 1 13 . 1 1 43 43 HIS HA H 43 4.291 4.291 4.473 -0.182 19045 9529 1 13 . 1 1 43 43 HIS CA C 43 60.041 60.041 59.621 0.420 19045 9530 1 13 . 1 1 43 43 HIS CB C 43 27.938 27.938 29.968 -2.030 19045 9531 1 13 . 1 1 43 43 HIS H H 43 8.268 8.268 8.141 0.127 19045 9532 1 13 . 1 1 44 44 GLN N N 44 117.841 117.841 118.426 -0.585 19045 9533 1 13 . 1 1 44 44 GLN HA H 44 3.638 3.638 3.863 -0.225 19045 9534 1 13 . 1 1 44 44 GLN CA C 44 58.681 58.681 58.678 0.003 19045 9535 1 13 . 1 1 44 44 GLN CB C 44 28.977 28.977 28.196 0.781 19045 9536 1 13 . 1 1 44 44 GLN H H 44 7.722 7.722 7.826 -0.104 19045 9537 1 13 . 1 1 45 45 GLN N N 45 117.756 117.756 117.387 0.369 19045 9538 1 13 . 1 1 45 45 GLN HA H 45 3.932 3.932 3.988 -0.056 19045 9539 1 13 . 1 1 45 45 GLN CA C 45 57.923 57.923 58.786 -0.863 19045 9540 1 13 . 1 1 45 45 GLN CB C 45 28.039 28.039 28.681 -0.642 19045 9541 1 13 . 1 1 45 45 GLN H H 45 7.808 7.808 7.447 0.361 19045 9542 1 13 . 1 1 46 46 GLU N N 46 119.876 119.876 119.316 0.560 19045 9543 1 13 . 1 1 46 46 GLU HA H 46 3.951 3.951 3.905 0.046 19045 9544 1 13 . 1 1 46 46 GLU CA C 46 58.956 58.956 59.131 -0.175 19045 9545 1 13 . 1 1 46 46 GLU CB C 46 29.166 29.166 28.531 0.635 19045 9546 1 13 . 1 1 46 46 GLU H H 46 7.781 7.781 8.301 -0.520 19045 9547 1 13 . 1 1 47 47 GLN N N 47 118.282 118.282 118.175 0.107 19045 9548 1 13 . 1 1 47 47 GLN HA H 47 3.800 3.800 4.259 -0.459 19045 9549 1 13 . 1 1 47 47 GLN CA C 47 57.892 57.892 58.121 -0.229 19045 9550 1 13 . 1 1 47 47 GLN CB C 47 28.662 28.662 28.281 0.381 19045 9551 1 13 . 1 1 47 47 GLN H H 47 7.775 7.775 7.646 0.129 19045 9552 1 13 . 1 1 48 48 GLU N N 48 118.519 118.519 117.765 0.754 19045 9553 1 13 . 1 1 48 48 GLU HA H 48 4.009 4.009 4.086 -0.077 19045 9554 1 13 . 1 1 48 48 GLU CA C 48 57.586 57.586 57.468 0.118 19045 9555 1 13 . 1 1 48 48 GLU CB C 48 28.922 28.922 29.602 -0.679 19045 9556 1 13 . 1 1 48 48 GLU H H 48 7.721 7.721 8.153 -0.432 19045 9557 1 13 . 1 1 49 49 ALA N N 49 121.657 121.657 122.343 -0.686 19045 9558 1 13 . 1 1 49 49 ALA HA H 49 4.140 4.140 4.261 -0.121 19045 9559 1 13 . 1 1 49 49 ALA CA C 49 53.389 53.389 53.379 0.010 19045 9560 1 13 . 1 1 49 49 ALA CB C 49 19.111 19.111 19.989 -0.878 19045 9561 1 13 . 1 1 49 49 ALA H H 49 7.675 7.675 7.901 -0.226 19045 9562 1 13 . 1 1 50 50 GLU N N 50 116.803 116.803 115.564 1.239 19045 9563 1 13 . 1 1 50 50 GLU HA H 50 4.182 4.182 4.605 -0.423 19045 9564 1 13 . 1 1 50 50 GLU CA C 50 56.420 56.420 54.964 1.456 19045 9565 1 13 . 1 1 50 50 GLU CB C 50 29.798 29.798 33.439 -3.641 19045 9566 1 13 . 1 1 50 50 GLU H H 50 8.106 8.106 7.836 0.270 19045 9567 1 13 . 1 1 51 51 GLY N N 51 109.812 109.812 107.923 1.889 19045 9568 1 13 . 1 1 51 51 GLY CA C 51 45.739 45.739 44.852 0.886 19045 9569 1 13 . 1 1 51 51 GLY H H 51 8.060 8.060 8.366 -0.306 19045 9570 1 13 . 1 1 52 52 VAL N N 52 118.668 118.668 115.802 2.866 19045 9571 1 13 . 1 1 52 52 VAL HA H 52 4.001 4.001 4.397 -0.396 19045 9572 1 13 . 1 1 52 52 VAL CA C 52 62.175 62.175 61.164 1.011 19045 9573 1 13 . 1 1 52 52 VAL CB C 52 32.294 32.294 33.627 -1.333 19045 9574 1 13 . 1 1 52 52 VAL H H 52 7.718 7.718 7.638 0.080 19045 9575 1 13 . 1 1 53 53 ALA N N 53 125.624 125.624 126.865 -1.241 19045 9576 1 13 . 1 1 53 53 ALA HA H 53 4.220 4.220 4.102 0.118 19045 9577 1 13 . 1 1 53 53 ALA CA C 53 51.869 51.869 52.426 -0.557 19045 9578 1 13 . 1 1 53 53 ALA CB C 53 19.065 19.065 17.742 1.323 19045 9579 1 13 . 1 1 53 53 ALA H H 53 8.073 8.073 8.604 -0.531 19045 9580 1 13 . 1 1 54 54 ALA N N 54 123.638 123.638 122.540 1.098 19045 9581 1 13 . 1 1 54 54 ALA HA H 54 4.472 4.472 4.676 -0.204 19045 9582 1 13 . 1 1 54 54 ALA CA C 54 49.869 49.869 50.397 -0.528 19045 9583 1 13 . 1 1 54 54 ALA CB C 54 18.488 18.488 19.342 -0.854 19045 9584 1 13 . 1 1 54 54 ALA H H 54 7.718 7.718 8.126 -0.408 19045 9585 1 13 . 1 1 55 55 PRO HA H 55 4.292 4.292 4.516 -0.224 19045 9586 1 13 . 1 1 55 55 PRO CA C 55 62.966 62.966 62.773 0.193 19045 9587 1 13 . 1 1 55 55 PRO CB C 55 31.754 31.754 32.493 -0.739 19045 9588 1 13 . 1 1 56 56 ALA N N 56 124.218 124.218 121.612 2.606 19045 9589 1 13 . 1 1 56 56 ALA HA H 56 4.220 4.220 3.949 0.272 19045 9590 1 13 . 1 1 56 56 ALA CB C 56 19.119 19.119 17.374 1.745 19045 9591 1 13 . 1 1 56 56 ALA H H 56 8.259 8.259 8.521 -0.262 19045 9592 1 13 . 1 1 57 57 ASP N N 57 120.884 120.884 119.734 1.150 19045 9593 1 13 . 1 1 57 57 ASP HA H 57 4.572 4.572 4.605 -0.033 19045 9594 1 13 . 1 1 57 57 ASP CA C 57 52.742 52.742 52.859 -0.117 19045 9595 1 13 . 1 1 57 57 ASP CB C 57 41.642 41.642 41.226 0.416 19045 9596 1 13 . 1 1 57 57 ASP H H 57 7.829 7.829 8.225 -0.396 19045 9597 1 13 . 1 1 58 58 PRO HA H 58 4.052 4.052 4.528 -0.476 19045 9598 1 13 . 1 1 58 58 PRO CA C 58 64.128 64.128 63.196 0.932 19045 9599 1 13 . 1 1 58 58 PRO CB C 58 31.989 31.989 30.502 1.487 19045 9600 1 13 . 1 1 59 59 GLU HA H 59 4.549 4.549 4.561 -0.012 19045 9601 1 13 . 1 1 59 59 GLU CA C 59 54.266 54.266 54.753 -0.487 19045 9602 1 13 . 1 1 59 59 GLU CB C 59 29.285 29.285 32.623 -3.338 19045 9603 1 13 . 1 1 60 60 MET HA H 60 3.846 3.846 4.341 -0.495 19045 9604 1 13 . 1 1 60 60 MET CA C 60 57.219 57.219 57.949 -0.730 19045 9605 1 13 . 1 1 60 60 MET CB C 60 31.894 31.894 32.147 -0.253 19045 9606 1 13 . 1 1 60 60 MET H H 60 7.070 7.070 8.767 -1.697 19045 9607 1 13 . 1 1 61 61 VAL N N 61 113.014 113.014 119.273 -6.259 19045 9608 1 13 . 1 1 61 61 VAL HA H 61 4.051 4.051 3.807 0.244 19045 9609 1 13 . 1 1 61 61 VAL CA C 61 62.799 62.799 63.944 -1.145 19045 9610 1 13 . 1 1 61 61 VAL CB C 61 31.993 31.993 31.352 0.641 19045 9611 1 13 . 1 1 61 61 VAL H H 61 6.833 6.833 8.063 -1.230 19045 9612 1 13 . 1 1 62 62 THR N N 62 110.188 110.188 109.534 0.654 19045 9613 1 13 . 1 1 62 62 THR HA H 62 4.230 4.230 3.827 0.403 19045 9614 1 13 . 1 1 62 62 THR CA C 62 60.947 60.947 63.094 -2.147 19045 9615 1 13 . 1 1 62 62 THR CB C 62 69.192 69.192 68.441 0.752 19045 9616 1 13 . 1 1 62 62 THR H H 62 7.101 7.101 7.794 -0.693 19045 9617 1 13 . 1 1 63 63 LEU N N 63 125.158 125.158 122.346 2.812 19045 9618 1 13 . 1 1 63 63 LEU HA H 63 4.205 4.205 4.614 -0.409 19045 9619 1 13 . 1 1 63 63 LEU CA C 63 52.688 52.688 51.705 0.983 19045 9620 1 13 . 1 1 63 63 LEU CB C 63 42.252 42.252 42.603 -0.351 19045 9621 1 13 . 1 1 63 63 LEU H H 63 7.079 7.079 8.168 -1.089 19045 9622 1 13 . 1 1 64 64 PRO HA H 64 4.282 4.282 4.437 -0.155 19045 9623 1 13 . 1 1 64 64 PRO CA C 64 62.613 62.613 62.608 0.004 19045 9624 1 13 . 1 1 64 64 PRO CB C 64 30.705 30.705 30.356 0.349 19045 9625 1 13 . 1 1 65 65 LEU N N 65 122.384 122.384 120.447 1.937 19045 9626 1 13 . 1 1 65 65 LEU HA H 65 4.234 4.234 5.112 -0.878 19045 9627 1 13 . 1 1 65 65 LEU CA C 65 54.499 54.499 52.320 2.179 19045 9628 1 13 . 1 1 65 65 LEU CB C 65 43.438 43.438 43.073 0.365 19045 9629 1 13 . 1 1 65 65 LEU H H 65 7.653 7.653 7.750 -0.097 19045 9630 1 13 . 1 1 66 66 GLN N N 66 121.802 121.802 119.599 2.203 19045 9631 1 13 . 1 1 66 66 GLN HA H 66 4.209 4.209 4.766 -0.557 19045 9632 1 13 . 1 1 66 66 GLN CA C 66 52.783 52.783 52.623 0.160 19045 9633 1 13 . 1 1 66 66 GLN CB C 66 28.136 28.136 29.317 -1.181 19045 9634 1 13 . 1 1 66 66 GLN H H 66 8.634 8.634 8.750 -0.116 19045 9635 1 13 . 1 1 67 67 PRO HA H 67 4.139 4.139 4.515 -0.376 19045 9636 1 13 . 1 1 67 67 PRO CA C 67 64.488 64.488 63.889 0.599 19045 9637 1 13 . 1 1 67 67 PRO CB C 67 32.003 32.003 31.971 0.032 19045 9638 1 13 . 1 1 68 68 SER N N 68 111.024 111.024 113.502 -2.478 19045 9639 1 13 . 1 1 68 68 SER HA H 68 4.313 4.313 4.645 -0.332 19045 9640 1 13 . 1 1 68 68 SER CA C 68 57.991 57.991 58.071 -0.080 19045 9641 1 13 . 1 1 68 68 SER CB C 68 63.252 63.252 63.519 -0.267 19045 9642 1 13 . 1 1 68 68 SER H H 68 8.119 8.119 8.052 0.067 19045 9643 1 13 . 1 1 69 69 SER N N 69 117.598 117.598 115.388 2.210 19045 9644 1 13 . 1 1 69 69 SER HA H 69 4.440 4.440 4.732 -0.292 19045 9645 1 13 . 1 1 69 69 SER CA C 69 57.518 57.518 56.963 0.555 19045 9646 1 13 . 1 1 69 69 SER CB C 69 64.587 64.587 64.844 -0.257 19045 9647 1 13 . 1 1 69 69 SER H H 69 7.723 7.723 7.636 0.087 19045 9648 1 13 . 1 1 70 70 THR N N 70 121.887 121.887 119.834 2.053 19045 9649 1 13 . 1 1 70 70 THR HA H 70 3.873 3.873 4.045 -0.172 19045 9650 1 13 . 1 1 70 70 THR CA C 70 66.723 66.723 66.523 0.200 19045 9651 1 13 . 1 1 70 70 THR CB C 70 68.385 68.385 68.871 -0.485 19045 9652 1 13 . 1 1 70 70 THR H H 70 8.827 8.827 8.682 0.145 19045 9653 1 13 . 1 1 71 71 MET N N 71 117.344 117.344 119.407 -2.063 19045 9654 1 13 . 1 1 71 71 MET HA H 71 4.469 4.469 4.109 0.360 19045 9655 1 13 . 1 1 71 71 MET CA C 71 56.260 56.260 59.336 -3.076 19045 9656 1 13 . 1 1 71 71 MET CB C 71 31.696 31.696 31.988 -0.292 19045 9657 1 13 . 1 1 71 71 MET H H 71 8.454 8.454 8.194 0.260 19045 9658 1 13 . 1 1 72 72 GLY N N 72 108.884 108.884 103.146 5.738 19045 9659 1 13 . 1 1 72 72 GLY CA C 72 46.884 46.884 46.373 0.511 19045 9660 1 13 . 1 1 72 72 GLY H H 72 7.979 7.979 7.876 0.103 19045 9661 1 13 . 1 1 73 73 GLN N N 73 121.522 121.522 120.579 0.943 19045 9662 1 13 . 1 1 73 73 GLN HA H 73 3.857 3.857 4.279 -0.422 19045 9663 1 13 . 1 1 73 73 GLN CA C 73 58.220 58.220 57.808 0.412 19045 9664 1 13 . 1 1 73 73 GLN CB C 73 28.309 28.309 28.823 -0.514 19045 9665 1 13 . 1 1 73 73 GLN H H 73 7.859 7.859 7.670 0.189 19045 9666 1 13 . 1 1 74 74 VAL N N 74 121.291 121.291 121.094 0.197 19045 9667 1 13 . 1 1 74 74 VAL HA H 74 3.359 3.359 3.607 -0.248 19045 9668 1 13 . 1 1 74 74 VAL CA C 74 67.150 67.150 67.194 -0.044 19045 9669 1 13 . 1 1 74 74 VAL CB C 74 31.249 31.249 31.827 -0.578 19045 9670 1 13 . 1 1 74 74 VAL H H 74 8.155 8.155 7.856 0.299 19045 9671 1 13 . 1 1 75 75 GLY N N 75 105.037 105.037 105.832 -0.795 19045 9672 1 13 . 1 1 75 75 GLY CA C 75 48.385 48.385 47.217 1.168 19045 9673 1 13 . 1 1 75 75 GLY H H 75 8.154 8.154 7.749 0.405 19045 9674 1 13 . 1 1 76 76 ARG N N 76 119.292 119.292 120.694 -1.402 19045 9675 1 13 . 1 1 76 76 ARG HA H 76 3.320 3.320 4.125 -0.805 19045 9676 1 13 . 1 1 76 76 ARG CA C 76 59.540 59.540 59.863 -0.323 19045 9677 1 13 . 1 1 76 76 ARG CB C 76 30.130 30.130 30.166 -0.037 19045 9678 1 13 . 1 1 76 76 ARG H H 76 7.512 7.512 7.765 -0.253 19045 9679 1 13 . 1 1 77 77 GLN N N 77 118.008 118.008 118.882 -0.874 19045 9680 1 13 . 1 1 77 77 GLN HA H 77 3.951 3.951 4.120 -0.169 19045 9681 1 13 . 1 1 77 77 GLN CA C 77 58.337 58.337 59.038 -0.701 19045 9682 1 13 . 1 1 77 77 GLN CB C 77 27.512 27.512 28.086 -0.574 19045 9683 1 13 . 1 1 77 77 GLN H H 77 7.852 7.852 7.830 0.022 19045 9684 1 13 . 1 1 78 78 LEU N N 78 116.018 116.018 119.979 -3.961 19045 9685 1 13 . 1 1 78 78 LEU HA H 78 4.078 4.078 3.939 0.139 19045 9686 1 13 . 1 1 78 78 LEU CA C 78 57.391 57.391 58.186 -0.795 19045 9687 1 13 . 1 1 78 78 LEU CB C 78 40.999 40.999 41.705 -0.706 19045 9688 1 13 . 1 1 78 78 LEU H H 78 8.412 8.412 8.405 0.007 19045 9689 1 13 . 1 1 79 79 ALA N N 79 120.914 120.914 120.629 0.285 19045 9690 1 13 . 1 1 79 79 ALA HA H 79 3.896 3.896 4.035 -0.139 19045 9691 1 13 . 1 1 79 79 ALA CA C 79 54.789 54.789 54.980 -0.191 19045 9692 1 13 . 1 1 79 79 ALA CB C 79 17.880 17.880 18.111 -0.231 19045 9693 1 13 . 1 1 79 79 ALA H H 79 7.789 7.789 8.170 -0.381 19045 9694 1 13 . 1 1 80 80 ILE N N 80 117.984 117.984 117.853 0.131 19045 9695 1 13 . 1 1 80 80 ILE HA H 80 3.895 3.895 3.809 0.086 19045 9696 1 13 . 1 1 80 80 ILE CA C 80 63.576 63.576 64.590 -1.014 19045 9697 1 13 . 1 1 80 80 ILE CB C 80 38.607 38.607 38.425 0.182 19045 9698 1 13 . 1 1 80 80 ILE H H 80 7.690 7.690 7.514 0.176 19045 9699 1 13 . 1 1 81 81 ILE HA H 81 3.984 3.984 3.910 0.074 19045 9700 1 13 . 1 1 81 81 ILE CA C 81 63.608 63.608 64.004 -0.396 19045 9701 1 13 . 1 1 81 81 ILE CB C 81 37.587 37.587 37.397 0.190 19045 9702 1 13 . 1 1 81 81 ILE H H 81 7.910 7.910 8.278 -0.368 19045 9703 1 13 . 1 1 82 82 GLY CA C 82 45.566 45.566 44.433 1.133 19045 9704 1 13 . 1 1 82 82 GLY H H 82 7.765 7.765 8.271 -0.506 19045 9705 1 13 . 1 1 83 83 ASP N N 83 119.914 119.914 123.073 -3.159 19045 9706 1 13 . 1 1 83 83 ASP HA H 83 4.332 4.332 4.389 -0.057 19045 9707 1 13 . 1 1 83 83 ASP CA C 83 58.161 58.161 57.876 0.285 19045 9708 1 13 . 1 1 83 83 ASP CB C 83 41.771 41.771 41.438 0.333 19045 9709 1 13 . 1 1 83 83 ASP H H 83 7.400 7.400 7.919 -0.519 19045 9710 1 13 . 1 1 84 84 ASP N N 84 116.566 116.566 119.870 -3.304 19045 9711 1 13 . 1 1 84 84 ASP HA H 84 4.200 4.200 4.421 -0.221 19045 9712 1 13 . 1 1 84 84 ASP CA C 84 57.270 57.270 57.644 -0.374 19045 9713 1 13 . 1 1 84 84 ASP CB C 84 40.593 40.593 40.516 0.077 19045 9714 1 13 . 1 1 84 84 ASP H H 84 8.523 8.523 8.377 0.146 19045 9715 1 13 . 1 1 85 85 ILE N N 85 120.454 120.454 119.052 1.402 19045 9716 1 13 . 1 1 85 85 ILE HA H 85 3.753 3.753 3.818 -0.065 19045 9717 1 13 . 1 1 85 85 ILE CA C 85 63.782 63.782 64.585 -0.803 19045 9718 1 13 . 1 1 85 85 ILE CB C 85 37.546 37.546 37.095 0.451 19045 9719 1 13 . 1 1 85 85 ILE H H 85 7.707 7.707 7.916 -0.209 19045 9720 1 13 . 1 1 86 86 ASN N N 86 118.583 118.583 118.798 -0.215 19045 9721 1 13 . 1 1 86 86 ASN HA H 86 4.472 4.472 4.427 0.045 19045 9722 1 13 . 1 1 86 86 ASN CA C 86 56.087 56.087 56.196 -0.109 19045 9723 1 13 . 1 1 86 86 ASN CB C 86 37.614 37.614 38.556 -0.942 19045 9724 1 13 . 1 1 86 86 ASN H H 86 8.440 8.440 8.203 0.237 19045 9725 1 13 . 1 1 87 87 ARG N N 87 117.819 117.819 118.244 -0.425 19045 9726 1 13 . 1 1 87 87 ARG HA H 87 4.043 4.043 4.007 0.036 19045 9727 1 13 . 1 1 87 87 ARG CA C 87 59.035 59.035 58.776 0.259 19045 9728 1 13 . 1 1 87 87 ARG CB C 87 29.845 29.845 29.978 -0.133 19045 9729 1 13 . 1 1 87 87 ARG H H 87 8.214 8.214 7.928 0.286 19045 9730 1 13 . 1 1 88 88 ARG N N 88 117.971 117.971 119.785 -1.814 19045 9731 1 13 . 1 1 88 88 ARG HA H 88 3.965 3.965 4.000 -0.035 19045 9732 1 13 . 1 1 88 88 ARG CA C 88 58.161 58.161 59.544 -1.383 19045 9733 1 13 . 1 1 88 88 ARG CB C 88 30.376 30.376 30.652 -0.276 19045 9734 1 13 . 1 1 88 88 ARG H H 88 7.438 7.438 8.064 -0.626 19045 9735 1 13 . 1 1 89 89 TYR N N 89 114.591 114.591 113.619 0.972 19045 9736 1 13 . 1 1 89 89 TYR HA H 89 4.753 4.753 4.632 0.121 19045 9737 1 13 . 1 1 89 89 TYR CA C 89 59.481 59.481 57.690 1.791 19045 9738 1 13 . 1 1 89 89 TYR CB C 89 39.610 39.610 37.359 2.251 19045 9739 1 13 . 1 1 89 89 TYR H H 89 7.635 7.635 8.136 -0.501 19045 9740 1 13 . 1 1 90 90 ASP HA H 90 4.820 4.820 4.651 0.169 19045 9741 1 13 . 1 1 90 90 ASP CA C 90 58.200 58.200 57.217 0.983 19045 9742 1 13 . 1 1 90 90 ASP CB C 90 41.407 41.407 41.941 -0.534 19045 9743 1 13 . 1 1 90 90 ASP H H 90 8.282 8.282 7.520 0.762 19045 9744 1 13 . 1 1 91 91 SER N N 91 115.266 115.266 116.455 -1.189 19045 9745 1 13 . 1 1 91 91 SER HA H 91 4.170 4.170 4.084 0.086 19045 9746 1 13 . 1 1 91 91 SER CA C 91 61.780 61.780 62.389 -0.609 19045 9747 1 13 . 1 1 91 91 SER CB C 91 61.891 61.891 62.968 -1.077 19045 9748 1 13 . 1 1 91 91 SER H H 91 8.717 8.717 7.984 0.733 19045 9749 1 13 . 1 1 92 92 GLU N N 92 122.093 122.093 120.489 1.604 19045 9750 1 13 . 1 1 92 92 GLU HA H 92 4.056 4.056 4.044 0.012 19045 9751 1 13 . 1 1 92 92 GLU CA C 92 58.928 58.928 58.668 0.260 19045 9752 1 13 . 1 1 92 92 GLU CB C 92 29.796 29.796 29.005 0.791 19045 9753 1 13 . 1 1 92 92 GLU H H 92 8.025 8.025 8.881 -0.856 19045 9754 1 13 . 1 1 93 93 PHE HA H 93 4.171 4.171 4.458 -0.287 19045 9755 1 13 . 1 1 93 93 PHE CA C 93 60.704 60.704 59.816 0.887 19045 9756 1 13 . 1 1 93 93 PHE CB C 93 38.780 38.780 40.319 -1.539 19045 9757 1 13 . 1 1 93 93 PHE H H 93 7.801 7.801 7.847 -0.046 19045 9758 1 13 . 1 1 94 94 GLN N N 94 118.578 118.578 120.843 -2.265 19045 9759 1 13 . 1 1 94 94 GLN HA H 94 3.847 3.847 3.876 -0.029 19045 9760 1 13 . 1 1 94 94 GLN CA C 94 59.981 59.981 59.373 0.608 19045 9761 1 13 . 1 1 94 94 GLN CB C 94 28.415 28.415 28.939 -0.524 19045 9762 1 13 . 1 1 94 94 GLN H H 94 8.609 8.609 8.739 -0.130 19045 9763 1 13 . 1 1 95 95 THR N N 95 116.128 116.128 116.307 -0.179 19045 9764 1 13 . 1 1 95 95 THR HA H 95 3.811 3.811 3.925 -0.114 19045 9765 1 13 . 1 1 95 95 THR CA C 95 66.391 66.391 66.424 -0.033 19045 9766 1 13 . 1 1 95 95 THR CB C 95 68.361 68.361 68.891 -0.530 19045 9767 1 13 . 1 1 95 95 THR H H 95 7.826 7.826 8.557 -0.731 19045 9768 1 13 . 1 1 96 96 MET N N 96 120.474 120.474 117.110 3.364 19045 9769 1 13 . 1 1 96 96 MET HA H 96 3.933 3.933 3.838 0.095 19045 9770 1 13 . 1 1 96 96 MET CA C 96 59.949 59.949 57.784 2.165 19045 9771 1 13 . 1 1 96 96 MET CB C 96 33.087 33.087 32.085 1.002 19045 9772 1 13 . 1 1 96 96 MET H H 96 7.728 7.728 7.330 0.398 19045 9773 1 13 . 1 1 97 97 LEU N N 97 118.904 118.904 121.715 -2.811 19045 9774 1 13 . 1 1 97 97 LEU HA H 97 3.604 3.604 3.710 -0.106 19045 9775 1 13 . 1 1 97 97 LEU CA C 97 57.771 57.771 57.718 0.053 19045 9776 1 13 . 1 1 97 97 LEU CB C 97 40.836 40.836 40.015 0.821 19045 9777 1 13 . 1 1 97 97 LEU H H 97 8.112 8.112 7.617 0.495 19045 9778 1 13 . 1 1 98 98 GLN N N 98 116.798 116.798 117.369 -0.571 19045 9779 1 13 . 1 1 98 98 GLN HA H 98 4.003 4.003 4.207 -0.203 19045 9780 1 13 . 1 1 98 98 GLN CA C 98 58.337 58.337 58.138 0.199 19045 9781 1 13 . 1 1 98 98 GLN CB C 98 27.659 27.659 28.447 -0.787 19045 9782 1 13 . 1 1 98 98 GLN H H 98 7.754 7.754 7.974 -0.220 19045 9783 1 13 . 1 1 99 99 HIS N N 99 115.943 115.943 115.512 0.431 19045 9784 1 13 . 1 1 99 99 HIS HA H 99 4.442 4.442 4.457 -0.015 19045 9785 1 13 . 1 1 99 99 HIS CA C 99 57.025 57.025 56.672 0.353 19045 9786 1 13 . 1 1 99 99 HIS CB C 99 28.848 28.848 30.373 -1.526 19045 9787 1 13 . 1 1 99 99 HIS H H 99 7.504 7.504 7.763 -0.259 19045 9788 1 13 . 1 1 100 100 LEU N N 100 121.347 121.347 119.784 1.563 19045 9789 1 13 . 1 1 100 100 LEU HA H 100 3.803 3.803 4.024 -0.221 19045 9790 1 13 . 1 1 100 100 LEU CA C 100 56.801 56.801 55.820 0.981 19045 9791 1 13 . 1 1 100 100 LEU CB C 100 42.563 42.563 42.804 -0.241 19045 9792 1 13 . 1 1 100 100 LEU H H 100 8.013 8.013 7.586 0.427 19045 9793 1 13 . 1 1 101 101 GLN N N 101 110.029 110.029 114.262 -4.233 19045 9794 1 13 . 1 1 101 101 GLN HA H 101 4.003 4.003 4.027 -0.024 19045 9795 1 13 . 1 1 101 101 GLN CA C 101 55.685 55.685 55.321 0.364 19045 9796 1 13 . 1 1 101 101 GLN CB C 101 27.301 27.301 26.429 0.872 19045 9797 1 13 . 1 1 101 101 GLN H H 101 7.763 7.763 7.730 0.033 19045 9798 1 13 . 1 1 102 102 PRO HA H 102 4.926 4.926 4.249 0.677 19045 9799 1 13 . 1 1 102 102 PRO CA C 102 62.372 62.372 63.053 -0.681 19045 9800 1 13 . 1 1 102 102 PRO CB C 102 31.963 31.963 32.320 -0.357 19045 9801 1 13 . 1 1 103 103 THR N N 103 114.119 114.119 105.908 8.211 19045 9802 1 13 . 1 1 103 103 THR HA H 103 4.420 4.420 4.555 -0.135 19045 9803 1 13 . 1 1 103 103 THR CA C 103 58.716 58.716 59.529 -0.813 19045 9804 1 13 . 1 1 103 103 THR CB C 103 72.929 72.929 71.668 1.261 19045 9805 1 13 . 1 1 103 103 THR H H 103 9.386 9.386 7.869 1.517 19045 9806 1 13 . 1 1 104 104 ALA N N 104 120.374 120.374 121.341 -0.967 19045 9807 1 13 . 1 1 104 104 ALA HA H 104 3.737 3.737 4.702 -0.965 19045 9808 1 13 . 1 1 104 104 ALA CA C 104 54.782 54.782 54.269 0.513 19045 9809 1 13 . 1 1 104 104 ALA CB C 104 18.050 18.050 18.584 -0.534 19045 9810 1 13 . 1 1 104 104 ALA H H 104 8.723 8.723 8.514 0.209 19045 9811 1 13 . 1 1 105 105 GLU N N 105 113.834 113.834 115.782 -1.948 19045 9812 1 13 . 1 1 105 105 GLU HA H 105 4.122 4.122 4.300 -0.178 19045 9813 1 13 . 1 1 105 105 GLU CA C 105 58.707 58.707 58.741 -0.034 19045 9814 1 13 . 1 1 105 105 GLU CB C 105 29.445 29.445 29.556 -0.111 19045 9815 1 13 . 1 1 105 105 GLU H H 105 7.969 7.969 8.509 -0.540 19045 9816 1 13 . 1 1 106 106 ASN N N 106 114.135 114.135 117.146 -3.011 19045 9817 1 13 . 1 1 106 106 ASN HA H 106 4.781 4.781 4.361 0.420 19045 9818 1 13 . 1 1 106 106 ASN CA C 106 52.222 52.222 52.422 -0.200 19045 9819 1 13 . 1 1 106 106 ASN CB C 106 38.983 38.983 38.515 0.468 19045 9820 1 13 . 1 1 106 106 ASN H H 106 7.151 7.151 7.796 -0.645 19045 9821 1 13 . 1 1 107 107 ALA N N 107 121.280 121.280 124.088 -2.808 19045 9822 1 13 . 1 1 107 107 ALA HA H 107 3.858 3.858 4.204 -0.346 19045 9823 1 13 . 1 1 107 107 ALA CA C 107 56.988 56.988 55.808 1.180 19045 9824 1 13 . 1 1 107 107 ALA CB C 107 18.278 18.278 18.861 -0.583 19045 9825 1 13 . 1 1 107 107 ALA H H 107 7.940 7.940 7.407 0.533 19045 9826 1 13 . 1 1 108 108 TYR N N 108 117.339 117.339 115.793 1.546 19045 9827 1 13 . 1 1 108 108 TYR HA H 108 3.048 3.048 3.782 -0.734 19045 9828 1 13 . 1 1 108 108 TYR CA C 108 60.578 60.578 59.918 0.660 19045 9829 1 13 . 1 1 108 108 TYR CB C 108 36.804 36.804 36.381 0.423 19045 9830 1 13 . 1 1 108 108 TYR H H 108 8.783 8.783 8.001 0.782 19045 9831 1 13 . 1 1 109 109 GLU N N 109 123.316 123.316 120.704 2.612 19045 9832 1 13 . 1 1 109 109 GLU HA H 109 3.681 3.681 3.782 -0.101 19045 9833 1 13 . 1 1 109 109 GLU CA C 109 59.152 59.152 58.559 0.593 19045 9834 1 13 . 1 1 109 109 GLU CB C 109 28.782 28.782 28.859 -0.077 19045 9835 1 13 . 1 1 109 109 GLU H H 109 8.084 8.084 7.398 0.686 19045 9836 1 13 . 1 1 110 110 TYR N N 110 117.254 117.254 118.088 -0.834 19045 9837 1 13 . 1 1 110 110 TYR HA H 110 4.339 4.339 4.294 0.045 19045 9838 1 13 . 1 1 110 110 TYR CA C 110 58.527 58.527 60.434 -1.907 19045 9839 1 13 . 1 1 110 110 TYR CB C 110 36.323 36.323 38.568 -2.245 19045 9840 1 13 . 1 1 110 110 TYR H H 110 8.282 8.282 7.774 0.508 19045 9841 1 13 . 1 1 111 111 PHE N N 111 119.028 119.028 120.360 -1.332 19045 9842 1 13 . 1 1 111 111 PHE HA H 111 3.889 3.889 4.180 -0.291 19045 9843 1 13 . 1 1 111 111 PHE CA C 111 62.350 62.350 61.506 0.844 19045 9844 1 13 . 1 1 111 111 PHE CB C 111 39.369 39.369 39.200 0.169 19045 9845 1 13 . 1 1 111 111 PHE H H 111 9.197 9.197 8.777 0.420 19045 9846 1 13 . 1 1 112 112 THR N N 112 113.669 113.669 111.721 1.948 19045 9847 1 13 . 1 1 112 112 THR HA H 112 3.411 3.411 3.027 0.384 19045 9848 1 13 . 1 1 112 112 THR CA C 112 67.185 67.185 66.124 1.061 19045 9849 1 13 . 1 1 112 112 THR CB C 112 68.294 68.294 68.380 -0.087 19045 9850 1 13 . 1 1 112 112 THR H H 112 8.315 8.315 8.514 -0.199 19045 9851 1 13 . 1 1 113 113 LYS N N 113 124.090 124.090 122.269 1.821 19045 9852 1 13 . 1 1 113 113 LYS HA H 113 3.854 3.854 4.117 -0.263 19045 9853 1 13 . 1 1 113 113 LYS CA C 113 60.416 60.416 58.737 1.679 19045 9854 1 13 . 1 1 113 113 LYS CB C 113 33.219 33.219 32.059 1.160 19045 9855 1 13 . 1 1 113 113 LYS H H 113 8.335 8.335 7.388 0.947 19045 9856 1 13 . 1 1 114 114 ILE N N 114 120.457 120.457 119.590 0.867 19045 9857 1 13 . 1 1 114 114 ILE HA H 114 3.145 3.145 3.662 -0.517 19045 9858 1 13 . 1 1 114 114 ILE CA C 114 65.550 65.550 63.277 2.273 19045 9859 1 13 . 1 1 114 114 ILE CB C 114 37.402 37.402 36.207 1.195 19045 9860 1 13 . 1 1 114 114 ILE H H 114 8.042 8.042 7.831 0.211 19045 9861 1 13 . 1 1 115 115 ALA N N 115 121.066 121.066 121.616 -0.550 19045 9862 1 13 . 1 1 115 115 ALA HA H 115 3.219 3.219 3.980 -0.761 19045 9863 1 13 . 1 1 115 115 ALA CA C 115 54.940 54.940 55.446 -0.506 19045 9864 1 13 . 1 1 115 115 ALA CB C 115 16.345 16.345 17.579 -1.234 19045 9865 1 13 . 1 1 115 115 ALA H H 115 8.208 8.208 7.971 0.237 19045 9866 1 13 . 1 1 116 116 THR N N 116 112.803 112.803 115.393 -2.590 19045 9867 1 13 . 1 1 116 116 THR HA H 116 3.808 3.808 4.313 -0.505 19045 9868 1 13 . 1 1 116 116 THR CA C 116 67.557 67.557 66.520 1.037 19045 9869 1 13 . 1 1 116 116 THR CB C 116 68.431 68.431 68.876 -0.445 19045 9870 1 13 . 1 1 116 116 THR H H 116 7.893 7.893 7.934 -0.041 19045 9871 1 13 . 1 1 117 117 SER N N 117 115.935 115.935 115.427 0.508 19045 9872 1 13 . 1 1 117 117 SER HA H 117 4.070 4.070 4.391 -0.321 19045 9873 1 13 . 1 1 117 117 SER CA C 117 61.879 61.879 61.147 0.732 19045 9874 1 13 . 1 1 117 117 SER CB C 117 62.907 62.907 63.384 -0.477 19045 9875 1 13 . 1 1 117 117 SER H H 117 7.139 7.139 7.974 -0.835 19045 9876 1 13 . 1 1 118 118 LEU N N 118 123.462 123.462 122.257 1.205 19045 9877 1 13 . 1 1 118 118 LEU HA H 118 3.596 3.596 4.006 -0.410 19045 9878 1 13 . 1 1 118 118 LEU CA C 118 58.014 58.014 57.501 0.513 19045 9879 1 13 . 1 1 118 118 LEU CB C 118 41.687 41.687 41.933 -0.246 19045 9880 1 13 . 1 1 118 118 LEU H H 118 7.844 7.844 7.706 0.138 19045 9881 1 13 . 1 1 119 119 PHE N N 119 110.270 110.270 116.263 -5.993 19045 9882 1 13 . 1 1 119 119 PHE HA H 119 4.721 4.721 4.648 0.073 19045 9883 1 13 . 1 1 119 119 PHE CA C 119 58.698 58.698 59.603 -0.905 19045 9884 1 13 . 1 1 119 119 PHE CB C 119 38.838 38.838 38.535 0.303 19045 9885 1 13 . 1 1 119 119 PHE H H 119 6.878 6.878 8.680 -1.802 19045 9886 1 13 . 1 1 120 120 GLU N N 120 123.135 123.135 119.102 4.033 19045 9887 1 13 . 1 1 120 120 GLU HA H 120 4.016 4.016 4.146 -0.130 19045 9888 1 13 . 1 1 120 120 GLU CA C 120 59.532 59.532 59.041 0.491 19045 9889 1 13 . 1 1 120 120 GLU CB C 120 29.337 29.337 29.156 0.181 19045 9890 1 13 . 1 1 120 120 GLU H H 120 7.551 7.551 8.115 -0.564 19045 9891 1 13 . 1 1 121 121 SER N N 121 107.983 107.983 113.142 -5.159 19045 9892 1 13 . 1 1 121 121 SER HA H 121 4.522 4.522 4.411 0.111 19045 9893 1 13 . 1 1 121 121 SER CA C 121 57.342 57.342 59.799 -2.457 19045 9894 1 13 . 1 1 121 121 SER CB C 121 63.353 63.353 64.435 -1.082 19045 9895 1 13 . 1 1 121 121 SER H H 121 7.712 7.712 7.652 0.060 19045 9896 1 13 . 1 1 122 122 GLY N N 122 110.748 110.748 107.133 3.615 19045 9897 1 13 . 1 1 122 122 GLY CA C 122 44.419 44.419 45.014 -0.595 19045 9898 1 13 . 1 1 122 122 GLY H H 122 7.317 7.317 7.176 0.141 19045 9899 1 13 . 1 1 123 123 ILE N N 123 117.061 117.061 119.950 -2.889 19045 9900 1 13 . 1 1 123 123 ILE HA H 123 3.724 3.724 4.315 -0.591 19045 9901 1 13 . 1 1 123 123 ILE CA C 123 61.383 61.383 60.424 0.959 19045 9902 1 13 . 1 1 123 123 ILE CB C 123 40.588 40.588 40.410 0.178 19045 9903 1 13 . 1 1 123 123 ILE H H 123 7.963 7.963 8.150 -0.187 19045 9904 1 13 . 1 1 124 124 ASN N N 124 117.915 117.915 122.300 -4.385 19045 9905 1 13 . 1 1 124 124 ASN HA H 124 4.204 4.204 4.906 -0.702 19045 9906 1 13 . 1 1 124 124 ASN CA C 124 51.886 51.886 52.288 -0.402 19045 9907 1 13 . 1 1 124 124 ASN CB C 124 39.033 39.033 41.651 -2.618 19045 9908 1 13 . 1 1 124 124 ASN H H 124 6.434 6.434 8.052 -1.618 19045 9909 1 13 . 1 1 125 125 TRP N N 125 119.673 119.673 123.543 -3.870 19045 9910 1 13 . 1 1 125 125 TRP HA H 125 4.470 4.470 4.580 -0.110 19045 9911 1 13 . 1 1 125 125 TRP CA C 125 61.257 61.257 60.982 0.275 19045 9912 1 13 . 1 1 125 125 TRP CB C 125 30.287 30.287 29.654 0.634 19045 9913 1 13 . 1 1 125 125 TRP H H 125 8.824 8.824 9.174 -0.350 19045 9914 1 13 . 1 1 126 126 GLY N N 126 107.516 107.516 106.115 1.401 19045 9915 1 13 . 1 1 126 126 GLY CA C 126 48.294 48.294 47.120 1.175 19045 9916 1 13 . 1 1 126 126 GLY H H 126 9.118 9.118 8.766 0.352 19045 9917 1 13 . 1 1 127 127 ARG N N 127 119.610 119.610 122.186 -2.576 19045 9918 1 13 . 1 1 127 127 ARG HA H 127 3.742 3.742 3.907 -0.165 19045 9919 1 13 . 1 1 127 127 ARG CA C 127 59.551 59.551 58.984 0.567 19045 9920 1 13 . 1 1 127 127 ARG CB C 127 31.163 31.163 29.706 1.457 19045 9921 1 13 . 1 1 127 127 ARG H H 127 8.616 8.616 7.333 1.283 19045 9922 1 13 . 1 1 128 128 VAL N N 128 120.289 120.289 119.390 0.899 19045 9923 1 13 . 1 1 128 128 VAL HA H 128 3.662 3.662 3.977 -0.315 19045 9924 1 13 . 1 1 128 128 VAL CA C 128 68.387 68.387 66.574 1.813 19045 9925 1 13 . 1 1 128 128 VAL CB C 128 31.127 31.127 31.300 -0.173 19045 9926 1 13 . 1 1 128 128 VAL H H 128 7.762 7.762 8.085 -0.323 19045 9927 1 13 . 1 1 129 129 VAL N N 129 119.577 119.577 120.236 -0.659 19045 9928 1 13 . 1 1 129 129 VAL HA H 129 3.449 3.449 3.717 -0.268 19045 9929 1 13 . 1 1 129 129 VAL CA C 129 67.772 67.772 65.460 2.312 19045 9930 1 13 . 1 1 129 129 VAL CB C 129 30.918 30.918 30.633 0.285 19045 9931 1 13 . 1 1 129 129 VAL H H 129 8.433 8.433 7.647 0.786 19045 9932 1 13 . 1 1 130 130 ALA N N 130 123.330 123.330 123.292 0.038 19045 9933 1 13 . 1 1 130 130 ALA HA H 130 4.069 4.069 4.055 0.014 19045 9934 1 13 . 1 1 130 130 ALA CA C 130 54.978 54.978 55.310 -0.332 19045 9935 1 13 . 1 1 130 130 ALA CB C 130 17.446 17.446 18.185 -0.739 19045 9936 1 13 . 1 1 130 130 ALA H H 130 8.766 8.766 7.946 0.820 19045 9937 1 13 . 1 1 131 131 LEU N N 131 120.040 120.040 119.287 0.753 19045 9938 1 13 . 1 1 131 131 LEU HA H 131 3.961 3.961 4.461 -0.500 19045 9939 1 13 . 1 1 131 131 LEU CA C 131 58.353 58.353 58.514 -0.161 19045 9940 1 13 . 1 1 131 131 LEU CB C 131 40.750 40.750 42.319 -1.569 19045 9941 1 13 . 1 1 131 131 LEU H H 131 8.178 8.178 8.355 -0.177 19045 9942 1 13 . 1 1 132 132 LEU N N 132 119.150 119.150 117.283 1.867 19045 9943 1 13 . 1 1 132 132 LEU HA H 132 3.952 3.952 4.336 -0.384 19045 9944 1 13 . 1 1 132 132 LEU CA C 132 58.620 58.620 57.485 1.135 19045 9945 1 13 . 1 1 132 132 LEU CB C 132 38.835 38.835 41.073 -2.238 19045 9946 1 13 . 1 1 132 132 LEU H H 132 7.927 7.927 7.571 0.356 19045 9947 1 13 . 1 1 133 133 GLY N N 133 107.066 107.066 108.347 -1.281 19045 9948 1 13 . 1 1 133 133 GLY CA C 133 48.339 48.339 47.729 0.610 19045 9949 1 13 . 1 1 133 133 GLY H H 133 8.752 8.752 8.342 0.410 19045 9950 1 13 . 1 1 134 134 PHE N N 134 123.521 123.521 120.991 2.530 19045 9951 1 13 . 1 1 134 134 PHE HA H 134 4.601 4.601 4.636 -0.035 19045 9952 1 13 . 1 1 134 134 PHE CA C 134 59.884 59.884 58.178 1.706 19045 9953 1 13 . 1 1 134 134 PHE CB C 134 38.622 38.622 38.453 0.169 19045 9954 1 13 . 1 1 134 134 PHE H H 134 8.606 8.606 8.526 0.080 19045 9955 1 13 . 1 1 135 135 GLY N N 135 106.412 106.412 109.630 -3.218 19045 9956 1 13 . 1 1 135 135 GLY CA C 135 47.731 47.731 47.186 0.545 19045 9957 1 13 . 1 1 135 135 GLY H H 135 8.715 8.715 7.883 0.832 19045 9958 1 13 . 1 1 136 136 TYR N N 136 121.461 121.461 123.065 -1.604 19045 9959 1 13 . 1 1 136 136 TYR HA H 136 4.116 4.116 4.377 -0.261 19045 9960 1 13 . 1 1 136 136 TYR CA C 136 61.564 61.564 59.910 1.654 19045 9961 1 13 . 1 1 136 136 TYR CB C 136 38.469 38.469 38.491 -0.022 19045 9962 1 13 . 1 1 136 136 TYR H H 136 8.809 8.809 8.179 0.630 19045 9963 1 13 . 1 1 137 137 ARG N N 137 117.518 117.518 119.775 -2.257 19045 9964 1 13 . 1 1 137 137 ARG HA H 137 3.647 3.647 4.043 -0.396 19045 9965 1 13 . 1 1 137 137 ARG CA C 137 58.904 58.904 59.535 -0.631 19045 9966 1 13 . 1 1 137 137 ARG CB C 137 29.189 29.189 30.067 -0.878 19045 9967 1 13 . 1 1 137 137 ARG H H 137 8.646 8.646 7.691 0.955 19045 9968 1 13 . 1 1 138 138 LEU N N 138 121.658 121.658 119.980 1.678 19045 9969 1 13 . 1 1 138 138 LEU HA H 138 3.905 3.905 4.189 -0.284 19045 9970 1 13 . 1 1 138 138 LEU CA C 138 58.454 58.454 57.968 0.485 19045 9971 1 13 . 1 1 138 138 LEU CB C 138 41.801 41.801 41.819 -0.018 19045 9972 1 13 . 1 1 138 138 LEU H H 138 9.065 9.065 8.443 0.622 19045 9973 1 13 . 1 1 139 139 ALA N N 139 120.012 120.012 121.784 -1.772 19045 9974 1 13 . 1 1 139 139 ALA HA H 139 4.004 4.004 4.340 -0.336 19045 9975 1 13 . 1 1 139 139 ALA CA C 139 55.174 55.174 55.307 -0.133 19045 9976 1 13 . 1 1 139 139 ALA CB C 139 17.943 17.943 18.408 -0.465 19045 9977 1 13 . 1 1 139 139 ALA H H 139 8.237 8.237 8.092 0.145 19045 9978 1 13 . 1 1 140 140 LEU N N 140 119.522 119.522 118.772 0.750 19045 9979 1 13 . 1 1 140 140 LEU HA H 140 4.000 4.000 4.128 -0.128 19045 9980 1 13 . 1 1 140 140 LEU CA C 140 57.805 57.805 57.451 0.354 19045 9981 1 13 . 1 1 140 140 LEU CB C 140 42.324 42.324 41.787 0.537 19045 9982 1 13 . 1 1 140 140 LEU H H 140 8.191 8.191 8.373 -0.182 19045 9983 1 13 . 1 1 141 141 HIS N N 141 117.834 117.834 118.535 -0.701 19045 9984 1 13 . 1 1 141 141 HIS HA H 141 4.183 4.183 4.321 -0.138 19045 9985 1 13 . 1 1 141 141 HIS CA C 141 60.960 60.960 60.057 0.903 19045 9986 1 13 . 1 1 141 141 HIS CB C 141 31.708 31.708 30.307 1.401 19045 9987 1 13 . 1 1 141 141 HIS H H 141 8.253 8.253 8.213 0.040 19045 9988 1 13 . 1 1 142 142 VAL N N 142 113.700 113.700 118.045 -4.345 19045 9989 1 13 . 1 1 142 142 VAL HA H 142 3.887 3.887 4.096 -0.209 19045 9990 1 13 . 1 1 142 142 VAL CA C 142 65.948 65.948 62.824 3.124 19045 9991 1 13 . 1 1 142 142 VAL CB C 142 30.264 30.264 32.381 -2.117 19045 9992 1 13 . 1 1 142 142 VAL H H 142 8.455 8.455 7.714 0.741 19045 9993 1 13 . 1 1 143 143 TYR N N 143 123.307 123.307 122.002 1.305 19045 9994 1 13 . 1 1 143 143 TYR HA H 143 4.320 4.320 4.022 0.298 19045 9995 1 13 . 1 1 143 143 TYR CA C 143 61.934 61.934 61.385 0.549 19045 9996 1 13 . 1 1 143 143 TYR CB C 143 38.779 38.779 38.649 0.130 19045 9997 1 13 . 1 1 143 143 TYR H H 143 7.750 7.750 8.350 -0.600 19045 9998 1 13 . 1 1 144 144 GLN N N 144 118.560 118.560 116.235 2.325 19045 9999 1 13 . 1 1 144 144 GLN HA H 144 3.686 3.686 3.968 -0.282 19045 10000 1 13 . 1 1 144 144 GLN CA C 144 58.055 58.055 58.091 -0.036 19045 10001 1 13 . 1 1 144 144 GLN CB C 144 27.859 27.859 28.448 -0.589 19045 10002 1 13 . 1 1 144 144 GLN H H 144 8.486 8.486 7.824 0.662 19045 10003 1 13 . 1 1 145 145 HIS N N 145 114.312 114.312 117.195 -2.883 19045 10004 1 13 . 1 1 145 145 HIS HA H 145 4.330 4.330 4.425 -0.095 19045 10005 1 13 . 1 1 145 145 HIS CA C 145 56.178 56.178 57.296 -1.118 19045 10006 1 13 . 1 1 145 145 HIS CB C 145 27.751 27.751 30.767 -3.016 19045 10007 1 13 . 1 1 145 145 HIS H H 145 7.350 7.350 7.511 -0.161 19045 10008 1 13 . 1 1 146 146 GLY N N 146 106.537 106.537 107.401 -0.864 19045 10009 1 13 . 1 1 146 146 GLY CA C 146 45.715 45.715 44.811 0.904 19045 10010 1 13 . 1 1 146 146 GLY H H 146 7.471 7.471 7.192 0.279 19045 10011 1 13 . 1 1 147 147 LEU N N 147 123.302 123.302 125.867 -2.565 19045 10012 1 13 . 1 1 147 147 LEU HA H 147 4.496 4.496 4.645 -0.149 19045 10013 1 13 . 1 1 147 147 LEU CA C 147 54.259 54.259 54.187 0.072 19045 10014 1 13 . 1 1 147 147 LEU CB C 147 41.033 41.033 44.659 -3.626 19045 10015 1 13 . 1 1 147 147 LEU H H 147 7.933 7.933 7.737 0.196 19045 10016 1 13 . 1 1 148 148 THR HA H 148 4.523 4.523 4.195 0.328 19045 10017 1 13 . 1 1 148 148 THR CA C 148 61.027 61.027 64.034 -3.006 19045 10018 1 13 . 1 1 148 148 THR CB C 148 70.359 70.359 69.073 1.286 19045 10019 1 13 . 1 1 149 149 GLY CA C 149 47.016 47.016 44.792 2.224 19045 10020 1 13 . 1 1 149 149 GLY H H 149 8.458 8.458 8.228 0.230 19045 10021 1 13 . 1 1 150 150 PHE N N 150 123.408 123.408 126.952 -3.544 19045 10022 1 13 . 1 1 150 150 PHE HA H 150 4.555 4.555 4.627 -0.072 19045 10023 1 13 . 1 1 150 150 PHE CA C 150 57.964 57.964 57.797 0.167 19045 10024 1 13 . 1 1 150 150 PHE CB C 150 42.911 42.911 40.966 1.945 19045 10025 1 13 . 1 1 150 150 PHE H H 150 9.331 9.331 8.788 0.543 19045 10026 1 13 . 1 1 151 151 LEU N N 151 123.032 123.032 120.413 2.619 19045 10027 1 13 . 1 1 151 151 LEU HA H 151 3.859 3.859 3.921 -0.062 19045 10028 1 13 . 1 1 151 151 LEU CA C 151 58.454 58.454 58.794 -0.340 19045 10029 1 13 . 1 1 151 151 LEU CB C 151 40.948 40.948 40.386 0.562 19045 10030 1 13 . 1 1 151 151 LEU H H 151 8.470 8.470 8.054 0.416 19045 10031 1 13 . 1 1 152 152 GLY N N 152 108.386 108.386 105.405 2.981 19045 10032 1 13 . 1 1 152 152 GLY CA C 152 46.676 46.676 47.206 -0.531 19045 10033 1 13 . 1 1 152 152 GLY H H 152 8.577 8.577 8.546 0.031 19045 10034 1 13 . 1 1 153 153 GLN N N 153 122.055 122.055 120.894 1.161 19045 10035 1 13 . 1 1 153 153 GLN HA H 153 3.532 3.532 3.572 -0.040 19045 10036 1 13 . 1 1 153 153 GLN CA C 153 57.844 57.844 57.980 -0.136 19045 10037 1 13 . 1 1 153 153 GLN CB C 153 26.442 26.442 27.724 -1.282 19045 10038 1 13 . 1 1 153 153 GLN H H 153 7.106 7.106 8.017 -0.911 19045 10039 1 13 . 1 1 154 154 VAL N N 154 116.706 116.706 119.779 -3.073 19045 10040 1 13 . 1 1 154 154 VAL HA H 154 2.428 2.428 3.339 -0.911 19045 10041 1 13 . 1 1 154 154 VAL CA C 154 66.089 66.089 66.337 -0.248 19045 10042 1 13 . 1 1 154 154 VAL CB C 154 31.463 31.463 31.220 0.243 19045 10043 1 13 . 1 1 154 154 VAL H H 154 7.033 7.033 7.883 -0.850 19045 10044 1 13 . 1 1 155 155 THR N N 155 114.165 114.165 115.771 -1.606 19045 10045 1 13 . 1 1 155 155 THR HA H 155 3.317 3.317 3.451 -0.134 19045 10046 1 13 . 1 1 155 155 THR CA C 155 67.050 67.050 66.683 0.367 19045 10047 1 13 . 1 1 155 155 THR CB C 155 68.307 68.307 68.299 0.008 19045 10048 1 13 . 1 1 155 155 THR H H 155 7.860 7.860 7.968 -0.108 19045 10049 1 13 . 1 1 156 156 ARG N N 156 119.890 119.890 120.953 -1.063 19045 10050 1 13 . 1 1 156 156 ARG HA H 156 3.769 3.769 3.917 -0.148 19045 10051 1 13 . 1 1 156 156 ARG CA C 156 58.769 58.769 58.781 -0.012 19045 10052 1 13 . 1 1 156 156 ARG CB C 156 28.693 28.693 29.350 -0.657 19045 10053 1 13 . 1 1 156 156 ARG H H 156 7.019 7.019 7.695 -0.676 19045 10054 1 13 . 1 1 157 157 PHE N N 157 118.242 118.242 118.833 -0.591 19045 10055 1 13 . 1 1 157 157 PHE HA H 157 4.426 4.426 4.367 0.059 19045 10056 1 13 . 1 1 157 157 PHE CA C 157 56.928 56.928 60.461 -3.533 19045 10057 1 13 . 1 1 157 157 PHE CB C 157 35.794 35.794 37.786 -1.992 19045 10058 1 13 . 1 1 157 157 PHE H H 157 8.030 8.030 7.810 0.220 19045 10059 1 13 . 1 1 158 158 VAL N N 158 118.961 118.961 119.729 -0.768 19045 10060 1 13 . 1 1 158 158 VAL HA H 158 3.425 3.425 3.940 -0.515 19045 10061 1 13 . 1 1 158 158 VAL CA C 158 67.288 67.288 66.708 0.580 19045 10062 1 13 . 1 1 158 158 VAL CB C 158 31.554 31.554 30.501 1.053 19045 10063 1 13 . 1 1 158 158 VAL H H 158 7.607 7.607 8.118 -0.511 19045 10064 1 13 . 1 1 159 159 VAL N N 159 119.773 119.773 120.392 -0.619 19045 10065 1 13 . 1 1 159 159 VAL HA H 159 3.358 3.358 3.674 -0.316 19045 10066 1 13 . 1 1 159 159 VAL CA C 159 67.570 67.570 66.448 1.122 19045 10067 1 13 . 1 1 159 159 VAL CB C 159 32.355 32.355 30.436 1.919 19045 10068 1 13 . 1 1 159 159 VAL H H 159 8.039 8.039 8.077 -0.038 19045 10069 1 13 . 1 1 160 160 ASP N N 160 118.382 118.382 120.846 -2.464 19045 10070 1 13 . 1 1 160 160 ASP HA H 160 4.293 4.293 4.438 -0.145 19045 10071 1 13 . 1 1 160 160 ASP CA C 160 57.567 57.567 58.051 -0.484 19045 10072 1 13 . 1 1 160 160 ASP CB C 160 41.474 41.474 41.032 0.442 19045 10073 1 13 . 1 1 160 160 ASP H H 160 8.752 8.752 8.280 0.472 19045 10074 1 13 . 1 1 161 161 PHE N N 161 119.972 119.972 119.906 0.066 19045 10075 1 13 . 1 1 161 161 PHE HA H 161 4.175 4.175 4.263 -0.088 19045 10076 1 13 . 1 1 161 161 PHE CA C 161 62.688 62.688 61.154 1.534 19045 10077 1 13 . 1 1 161 161 PHE CB C 161 39.789 39.789 39.487 0.302 19045 10078 1 13 . 1 1 161 161 PHE H H 161 8.558 8.558 8.488 0.070 19045 10079 1 13 . 1 1 162 162 MET N N 162 116.261 116.261 120.382 -4.121 19045 10080 1 13 . 1 1 162 162 MET HA H 162 3.702 3.702 3.858 -0.156 19045 10081 1 13 . 1 1 162 162 MET CA C 162 59.342 59.342 59.346 -0.004 19045 10082 1 13 . 1 1 162 162 MET CB C 162 32.081 32.081 32.820 -0.739 19045 10083 1 13 . 1 1 162 162 MET H H 162 8.597 8.597 8.715 -0.118 19045 10084 1 13 . 1 1 163 163 LEU N N 163 119.069 119.069 114.647 4.422 19045 10085 1 13 . 1 1 163 163 LEU HA H 163 3.952 3.952 4.024 -0.072 19045 10086 1 13 . 1 1 163 163 LEU CA C 163 57.856 57.856 55.701 2.155 19045 10087 1 13 . 1 1 163 163 LEU CB C 163 42.236 42.236 41.834 0.402 19045 10088 1 13 . 1 1 163 163 LEU H H 163 8.291 8.291 7.628 0.663 19045 10089 1 13 . 1 1 164 164 HIS N N 164 113.591 113.591 115.875 -2.284 19045 10090 1 13 . 1 1 164 164 HIS HA H 164 4.430 4.430 4.718 -0.288 19045 10091 1 13 . 1 1 164 164 HIS CA C 164 57.289 57.289 55.683 1.606 19045 10092 1 13 . 1 1 164 164 HIS CB C 164 28.766 28.766 30.000 -1.234 19045 10093 1 13 . 1 1 164 164 HIS H H 164 8.111 8.111 7.503 0.608 19045 10094 1 13 . 1 1 165 165 HIS N N 165 115.730 115.730 117.906 -2.176 19045 10095 1 13 . 1 1 165 165 HIS HA H 165 4.602 4.602 4.549 0.053 19045 10096 1 13 . 1 1 165 165 HIS CA C 165 54.752 54.752 55.623 -0.871 19045 10097 1 13 . 1 1 165 165 HIS CB C 165 26.766 26.766 29.890 -3.124 19045 10098 1 13 . 1 1 165 165 HIS H H 165 7.789 7.789 7.559 0.230 19045 10099 1 13 . 1 1 166 166 CYS N N 166 109.533 109.533 116.871 -7.338 19045 10100 1 13 . 1 1 166 166 CYS HA H 166 4.274 4.274 4.027 0.247 19045 10101 1 13 . 1 1 166 166 CYS CA C 166 61.452 61.452 60.660 0.792 19045 10102 1 13 . 1 1 166 166 CYS CB C 166 25.215 25.215 26.543 -1.328 19045 10103 1 13 . 1 1 166 166 CYS H H 166 7.761 7.761 8.506 -0.745 19045 10104 1 13 . 1 1 167 167 ILE N N 167 119.980 119.980 120.049 -0.069 19045 10105 1 13 . 1 1 167 167 ILE HA H 167 3.563 3.563 3.820 -0.257 19045 10106 1 13 . 1 1 167 167 ILE CA C 167 62.212 62.212 62.822 -0.610 19045 10107 1 13 . 1 1 167 167 ILE CB C 167 35.969 35.969 36.433 -0.464 19045 10108 1 13 . 1 1 167 167 ILE H H 167 7.574 7.574 7.564 0.010 19045 10109 1 13 . 1 1 168 168 ALA N N 168 121.737 121.737 122.585 -0.848 19045 10110 1 13 . 1 1 168 168 ALA HA H 168 3.775 3.775 3.912 -0.137 19045 10111 1 13 . 1 1 168 168 ALA CA C 168 55.082 55.082 55.836 -0.754 19045 10112 1 13 . 1 1 168 168 ALA CB C 168 16.505 16.505 17.981 -1.476 19045 10113 1 13 . 1 1 168 168 ALA H H 168 7.935 7.935 7.646 0.289 19045 10114 1 13 . 1 1 169 169 ARG N N 169 118.369 118.369 119.280 -0.911 19045 10115 1 13 . 1 1 169 169 ARG HA H 169 3.550 3.550 3.986 -0.436 19045 10116 1 13 . 1 1 169 169 ARG CA C 169 59.581 59.581 59.452 0.129 19045 10117 1 13 . 1 1 169 169 ARG CB C 169 29.380 29.380 29.692 -0.312 19045 10118 1 13 . 1 1 169 169 ARG H H 169 7.936 7.936 8.451 -0.515 19045 10119 1 13 . 1 1 170 170 TRP N N 170 121.173 121.173 120.950 0.223 19045 10120 1 13 . 1 1 170 170 TRP HA H 170 3.763 3.763 4.169 -0.406 19045 10121 1 13 . 1 1 170 170 TRP CA C 170 62.080 62.080 60.916 1.164 19045 10122 1 13 . 1 1 170 170 TRP CB C 170 29.423 29.423 29.260 0.163 19045 10123 1 13 . 1 1 170 170 TRP H H 170 7.259 7.259 7.379 -0.120 19045 10124 1 13 . 1 1 171 171 ILE N N 171 117.994 117.994 118.492 -0.498 19045 10125 1 13 . 1 1 171 171 ILE HA H 171 2.864 2.864 3.063 -0.199 19045 10126 1 13 . 1 1 171 171 ILE CA C 171 65.347 65.347 64.817 0.530 19045 10127 1 13 . 1 1 171 171 ILE CB C 171 37.781 37.781 37.524 0.257 19045 10128 1 13 . 1 1 171 171 ILE H H 171 8.074 8.074 8.207 -0.133 19045 10129 1 13 . 1 1 172 172 ALA N N 172 123.588 123.588 120.628 2.960 19045 10130 1 13 . 1 1 172 172 ALA HA H 172 3.506 3.506 3.901 -0.395 19045 10131 1 13 . 1 1 172 172 ALA CA C 172 55.685 55.685 54.837 0.848 19045 10132 1 13 . 1 1 172 172 ALA CB C 172 17.050 17.050 18.307 -1.257 19045 10133 1 13 . 1 1 172 172 ALA H H 172 8.511 8.511 7.890 0.621 19045 10134 1 13 . 1 1 173 173 GLN N N 173 117.382 117.382 116.085 1.297 19045 10135 1 13 . 1 1 173 173 GLN HA H 173 3.854 3.854 3.981 -0.127 19045 10136 1 13 . 1 1 173 173 GLN CA C 173 57.904 57.904 57.489 0.415 19045 10137 1 13 . 1 1 173 173 GLN CB C 173 28.141 28.141 28.713 -0.572 19045 10138 1 13 . 1 1 173 173 GLN H H 173 7.898 7.898 7.593 0.305 19045 10139 1 13 . 1 1 174 174 ARG N N 174 116.800 116.800 116.589 0.211 19045 10140 1 13 . 1 1 174 174 ARG HA H 174 4.097 4.097 4.068 0.029 19045 10141 1 13 . 1 1 174 174 ARG CA C 174 55.395 55.395 55.734 -0.339 19045 10142 1 13 . 1 1 174 174 ARG CB C 174 29.652 29.652 30.153 -0.501 19045 10143 1 13 . 1 1 174 174 ARG H H 174 6.984 6.984 7.419 -0.435 19045 10144 1 13 . 1 1 175 175 GLY N N 175 104.194 104.194 105.284 -1.090 19045 10145 1 13 . 1 1 175 175 GLY CA C 175 44.340 44.340 44.584 -0.244 19045 10146 1 13 . 1 1 175 175 GLY H H 175 7.418 7.418 7.067 0.351 19045 10147 1 13 . 1 1 176 176 GLY N N 176 107.629 107.629 107.508 0.121 19045 10148 1 13 . 1 1 176 176 GLY CA C 176 43.501 43.501 44.779 -1.278 19045 10149 1 13 . 1 1 176 176 GLY H H 176 8.072 8.072 7.569 0.503 19045 10150 1 13 . 1 1 177 177 TRP N N 177 117.887 117.887 121.449 -3.562 19045 10151 1 13 . 1 1 177 177 TRP HA H 177 4.476 4.476 4.684 -0.208 19045 10152 1 13 . 1 1 177 177 TRP CA C 177 61.083 61.083 59.927 1.156 19045 10153 1 13 . 1 1 177 177 TRP CB C 177 30.927 30.927 29.495 1.432 19045 10154 1 13 . 1 1 177 177 TRP H H 177 8.218 8.218 8.857 -0.639 19045 10155 1 13 . 1 1 178 178 VAL N N 178 112.929 112.929 118.310 -5.381 19045 10156 1 13 . 1 1 178 178 VAL HA H 178 3.688 3.688 3.930 -0.242 19045 10157 1 13 . 1 1 178 178 VAL CA C 178 64.680 64.680 63.829 0.851 19045 10158 1 13 . 1 1 178 178 VAL CB C 178 31.057 31.057 30.847 0.210 19045 10159 1 13 . 1 1 178 178 VAL H H 178 8.284 8.284 7.933 0.351 19045 10160 1 13 . 1 1 179 179 ALA N N 179 125.101 125.101 122.201 2.900 19045 10161 1 13 . 1 1 179 179 ALA HA H 179 4.009 4.009 4.478 -0.469 19045 10162 1 13 . 1 1 179 179 ALA CA C 179 54.344 54.344 52.834 1.510 19045 10163 1 13 . 1 1 179 179 ALA CB C 179 18.555 18.555 18.960 -0.405 19045 10164 1 13 . 1 1 179 179 ALA H H 179 7.670 7.670 7.954 -0.284 19045 10165 1 13 . 1 1 180 180 ALA N N 180 119.081 119.081 122.240 -3.159 19045 10166 1 13 . 1 1 180 180 ALA HA H 180 3.293 3.293 3.596 -0.303 19045 10167 1 13 . 1 1 180 180 ALA CA C 180 52.783 52.783 53.615 -0.832 19045 10168 1 13 . 1 1 180 180 ALA CB C 180 18.113 18.113 18.307 -0.194 19045 10169 1 13 . 1 1 180 180 ALA H H 180 8.058 8.058 7.315 0.743 19045 10170 1 13 . 1 1 181 181 LEU N N 181 114.169 114.169 115.945 -1.776 19045 10171 1 13 . 1 1 181 181 LEU HA H 181 3.911 3.911 4.026 -0.115 19045 10172 1 13 . 1 1 181 181 LEU CA C 181 56.128 56.128 56.987 -0.859 19045 10173 1 13 . 1 1 181 181 LEU CB C 181 40.955 40.955 41.261 -0.306 19045 10174 1 13 . 1 1 181 181 LEU H H 181 7.342 7.342 8.052 -0.710 19045 10175 1 13 . 1 1 182 182 ASN N N 182 115.061 115.061 116.309 -1.248 19045 10176 1 13 . 1 1 182 182 ASN HA H 182 4.743 4.743 4.618 0.125 19045 10177 1 13 . 1 1 182 182 ASN CA C 182 52.508 52.508 53.169 -0.661 19045 10178 1 13 . 1 1 182 182 ASN CB C 182 39.091 39.091 39.728 -0.637 19045 10179 1 13 . 1 1 182 182 ASN H H 182 7.289 7.289 7.521 -0.232 19045 10180 1 13 . 1 1 183 183 LEU N N 183 119.889 119.889 120.554 -0.665 19045 10181 1 13 . 1 1 183 183 LEU HA H 183 4.125 4.125 4.072 0.053 19045 10182 1 13 . 1 1 183 183 LEU CA C 183 55.201 55.201 56.347 -1.146 19045 10183 1 13 . 1 1 183 183 LEU CB C 183 42.174 42.174 41.969 0.205 19045 10184 1 13 . 1 1 183 183 LEU H H 183 7.148 7.148 7.418 -0.270 19045 10185 1 13 . 1 1 184 184 GLY N N 184 107.883 107.883 108.372 -0.489 19045 10186 1 13 . 1 1 184 184 GLY CA C 184 45.256 45.256 46.445 -1.189 19045 10187 1 13 . 1 1 184 184 GLY H H 184 8.486 8.486 8.508 -0.022 19045 10188 1 13 . 1 1 185 185 ASN N N 185 118.093 118.093 122.890 -4.797 19045 10189 1 13 . 1 1 185 185 ASN HA H 185 4.755 4.755 4.932 -0.177 19045 10190 1 13 . 1 1 185 185 ASN CA C 185 52.812 52.812 52.398 0.414 19045 10191 1 13 . 1 1 185 185 ASN CB C 185 39.297 39.297 39.326 -0.029 19045 10192 1 13 . 1 1 185 185 ASN H H 185 8.074 8.074 8.494 -0.420 19045 10193 1 14 . 1 1 19 19 LEU N N 19 122.834 122.834 122.961 -0.127 19045 10194 1 14 . 1 1 19 19 LEU HA H 19 4.523 4.523 4.803 -0.280 19045 10195 1 14 . 1 1 19 19 LEU CA C 19 52.690 52.690 53.597 -0.907 19045 10196 1 14 . 1 1 19 19 LEU CB C 19 41.808 41.808 41.028 0.780 19045 10197 1 14 . 1 1 19 19 LEU H H 19 8.080 8.080 7.777 0.303 19045 10198 1 14 . 1 1 20 20 PRO HA H 20 4.353 4.353 4.545 -0.192 19045 10199 1 14 . 1 1 20 20 PRO CA C 20 62.826 62.826 62.783 0.043 19045 10200 1 14 . 1 1 20 20 PRO CB C 20 31.969 31.969 32.333 -0.364 19045 10201 1 14 . 1 1 21 21 SER N N 21 116.268 116.268 113.951 2.317 19045 10202 1 14 . 1 1 21 21 SER HA H 21 4.249 4.249 4.436 -0.187 19045 10203 1 14 . 1 1 21 21 SER CA C 21 58.338 58.338 58.404 -0.066 19045 10204 1 14 . 1 1 21 21 SER CB C 21 63.856 63.856 64.431 -0.575 19045 10205 1 14 . 1 1 21 21 SER H H 21 8.246 8.246 8.112 0.134 19045 10206 1 14 . 1 1 22 22 ALA N N 22 125.246 125.246 122.312 2.934 19045 10207 1 14 . 1 1 22 22 ALA HA H 22 4.405 4.405 4.162 0.243 19045 10208 1 14 . 1 1 22 22 ALA CA C 22 52.086 52.086 52.766 -0.680 19045 10209 1 14 . 1 1 22 22 ALA CB C 22 19.582 19.582 19.105 0.477 19045 10210 1 14 . 1 1 22 22 ALA H H 22 8.192 8.192 8.067 0.125 19045 10211 1 14 . 1 1 23 23 SER N N 23 114.236 114.236 115.531 -1.295 19045 10212 1 14 . 1 1 23 23 SER HA H 23 4.469 4.469 4.730 -0.261 19045 10213 1 14 . 1 1 23 23 SER CA C 23 57.386 57.386 56.851 0.535 19045 10214 1 14 . 1 1 23 23 SER CB C 23 64.582 64.582 65.850 -1.268 19045 10215 1 14 . 1 1 23 23 SER H H 23 8.081 8.081 8.182 -0.101 19045 10216 1 14 . 1 1 24 24 GLU N N 24 124.005 124.005 124.779 -0.774 19045 10217 1 14 . 1 1 24 24 GLU HA H 24 3.534 3.534 3.814 -0.280 19045 10218 1 14 . 1 1 24 24 GLU CA C 24 59.772 59.772 59.959 -0.187 19045 10219 1 14 . 1 1 24 24 GLU CB C 24 29.798 29.798 28.665 1.133 19045 10220 1 14 . 1 1 24 24 GLU H H 24 8.702 8.702 9.173 -0.471 19045 10221 1 14 . 1 1 25 25 GLU N N 25 118.390 118.390 118.807 -0.417 19045 10222 1 14 . 1 1 25 25 GLU HA H 25 3.796 3.796 3.967 -0.171 19045 10223 1 14 . 1 1 25 25 GLU CA C 25 59.939 59.939 59.113 0.826 19045 10224 1 14 . 1 1 25 25 GLU CB C 25 29.217 29.217 28.446 0.771 19045 10225 1 14 . 1 1 25 25 GLU H H 25 8.559 8.559 8.803 -0.244 19045 10226 1 14 . 1 1 26 26 GLN N N 26 120.776 120.776 119.605 1.171 19045 10227 1 14 . 1 1 26 26 GLN HA H 26 3.916 3.916 4.187 -0.271 19045 10228 1 14 . 1 1 26 26 GLN CA C 26 58.343 58.343 58.272 0.071 19045 10229 1 14 . 1 1 26 26 GLN CB C 26 28.119 28.119 28.276 -0.157 19045 10230 1 14 . 1 1 26 26 GLN H H 26 7.764 7.764 7.535 0.229 19045 10231 1 14 . 1 1 27 27 VAL N N 27 118.723 118.723 121.624 -2.901 19045 10232 1 14 . 1 1 27 27 VAL HA H 27 3.933 3.933 3.767 0.166 19045 10233 1 14 . 1 1 27 27 VAL CA C 27 66.285 66.285 66.425 -0.140 19045 10234 1 14 . 1 1 27 27 VAL CB C 27 31.596 31.596 31.453 0.143 19045 10235 1 14 . 1 1 27 27 VAL H H 27 8.062 8.062 8.352 -0.290 19045 10236 1 14 . 1 1 28 28 ALA N N 28 122.902 122.902 121.847 1.055 19045 10237 1 14 . 1 1 28 28 ALA HA H 28 4.026 4.026 3.944 0.082 19045 10238 1 14 . 1 1 28 28 ALA CA C 28 56.178 56.178 55.630 0.548 19045 10239 1 14 . 1 1 28 28 ALA CB C 28 18.463 18.463 17.985 0.478 19045 10240 1 14 . 1 1 28 28 ALA H H 28 8.412 8.412 8.102 0.310 19045 10241 1 14 . 1 1 29 29 GLN N N 29 117.996 117.996 118.558 -0.562 19045 10242 1 14 . 1 1 29 29 GLN HA H 29 4.084 4.084 4.211 -0.127 19045 10243 1 14 . 1 1 29 29 GLN CA C 29 59.063 59.063 58.927 0.136 19045 10244 1 14 . 1 1 29 29 GLN CB C 29 28.452 28.452 28.729 -0.277 19045 10245 1 14 . 1 1 29 29 GLN H H 29 7.900 7.900 7.809 0.091 19045 10246 1 14 . 1 1 30 30 ASP N N 30 121.907 121.907 119.104 2.803 19045 10247 1 14 . 1 1 30 30 ASP HA H 30 4.521 4.521 4.357 0.164 19045 10248 1 14 . 1 1 30 30 ASP CA C 30 57.038 57.038 56.959 0.079 19045 10249 1 14 . 1 1 30 30 ASP CB C 30 41.939 41.939 40.407 1.532 19045 10250 1 14 . 1 1 30 30 ASP H H 30 8.888 8.888 8.224 0.664 19045 10251 1 14 . 1 1 31 31 THR N N 31 114.861 114.861 117.047 -2.186 19045 10252 1 14 . 1 1 31 31 THR HA H 31 3.493 3.493 3.261 0.232 19045 10253 1 14 . 1 1 31 31 THR CA C 31 66.946 66.946 67.123 -0.177 19045 10254 1 14 . 1 1 31 31 THR CB C 31 68.523 68.523 69.117 -0.594 19045 10255 1 14 . 1 1 31 31 THR H H 31 8.069 8.069 8.207 -0.138 19045 10256 1 14 . 1 1 32 32 GLU N N 32 120.848 120.848 120.853 -0.005 19045 10257 1 14 . 1 1 32 32 GLU HA H 32 3.597 3.597 3.815 -0.218 19045 10258 1 14 . 1 1 32 32 GLU CA C 32 60.899 60.899 59.661 1.238 19045 10259 1 14 . 1 1 32 32 GLU CB C 32 28.963 28.963 28.666 0.297 19045 10260 1 14 . 1 1 32 32 GLU H H 32 7.578 7.578 8.180 -0.602 19045 10261 1 14 . 1 1 33 33 GLU N N 33 117.741 117.741 120.500 -2.759 19045 10262 1 14 . 1 1 33 33 GLU HA H 33 3.938 3.938 4.026 -0.087 19045 10263 1 14 . 1 1 33 33 GLU CA C 33 58.768 58.768 59.152 -0.384 19045 10264 1 14 . 1 1 33 33 GLU CB C 33 29.708 29.708 29.593 0.115 19045 10265 1 14 . 1 1 33 33 GLU H H 33 7.446 7.446 7.873 -0.427 19045 10266 1 14 . 1 1 34 34 VAL N N 34 120.239 120.239 120.300 -0.061 19045 10267 1 14 . 1 1 34 34 VAL HA H 34 3.108 3.108 3.672 -0.564 19045 10268 1 14 . 1 1 34 34 VAL CA C 34 66.979 66.979 65.872 1.107 19045 10269 1 14 . 1 1 34 34 VAL CB C 34 31.884 31.884 31.374 0.510 19045 10270 1 14 . 1 1 34 34 VAL H H 34 7.792 7.792 7.827 -0.035 19045 10271 1 14 . 1 1 35 35 PHE N N 35 117.559 117.559 120.801 -3.242 19045 10272 1 14 . 1 1 35 35 PHE HA H 35 4.209 4.209 4.054 0.155 19045 10273 1 14 . 1 1 35 35 PHE CA C 35 61.592 61.592 61.986 -0.394 19045 10274 1 14 . 1 1 35 35 PHE CB C 35 39.066 39.066 39.076 -0.010 19045 10275 1 14 . 1 1 35 35 PHE H H 35 8.895 8.895 8.288 0.607 19045 10276 1 14 . 1 1 36 36 ARG N N 36 116.705 116.705 118.999 -2.294 19045 10277 1 14 . 1 1 36 36 ARG HA H 36 3.555 3.555 3.850 -0.295 19045 10278 1 14 . 1 1 36 36 ARG CA C 36 59.906 59.906 58.751 1.155 19045 10279 1 14 . 1 1 36 36 ARG CB C 36 29.654 29.654 29.524 0.130 19045 10280 1 14 . 1 1 36 36 ARG H H 36 8.182 8.182 8.317 -0.135 19045 10281 1 14 . 1 1 37 37 SER N N 37 112.628 112.628 114.814 -2.186 19045 10282 1 14 . 1 1 37 37 SER HA H 37 4.122 4.122 4.113 0.009 19045 10283 1 14 . 1 1 37 37 SER CA C 37 61.258 61.258 61.843 -0.585 19045 10284 1 14 . 1 1 37 37 SER CB C 37 63.089 63.089 63.159 -0.070 19045 10285 1 14 . 1 1 37 37 SER H H 37 7.845 7.845 8.079 -0.234 19045 10286 1 14 . 1 1 38 38 TYR N N 38 122.458 122.458 125.474 -3.016 19045 10287 1 14 . 1 1 38 38 TYR HA H 38 3.927 3.927 4.459 -0.532 19045 10288 1 14 . 1 1 38 38 TYR CA C 38 62.006 62.006 61.624 0.382 19045 10289 1 14 . 1 1 38 38 TYR CB C 38 38.892 38.892 38.296 0.596 19045 10290 1 14 . 1 1 38 38 TYR H H 38 8.793 8.793 8.290 0.503 19045 10291 1 14 . 1 1 39 39 VAL N N 39 115.951 115.951 119.055 -3.104 19045 10292 1 14 . 1 1 39 39 VAL HA H 39 3.209 3.209 3.358 -0.149 19045 10293 1 14 . 1 1 39 39 VAL CA C 39 65.982 65.982 65.813 0.169 19045 10294 1 14 . 1 1 39 39 VAL CB C 39 30.884 30.884 31.198 -0.314 19045 10295 1 14 . 1 1 39 39 VAL H H 39 8.348 8.348 7.869 0.479 19045 10296 1 14 . 1 1 40 40 PHE N N 40 119.608 119.608 120.735 -1.127 19045 10297 1 14 . 1 1 40 40 PHE HA H 40 3.915 3.915 3.940 -0.025 19045 10298 1 14 . 1 1 40 40 PHE CA C 40 61.651 61.651 61.714 -0.063 19045 10299 1 14 . 1 1 40 40 PHE CB C 40 39.411 39.411 38.992 0.418 19045 10300 1 14 . 1 1 40 40 PHE H H 40 7.596 7.596 7.982 -0.386 19045 10301 1 14 . 1 1 41 41 TYR N N 41 117.686 117.686 120.354 -2.668 19045 10302 1 14 . 1 1 41 41 TYR HA H 41 3.818 3.818 4.014 -0.196 19045 10303 1 14 . 1 1 41 41 TYR CA C 41 63.446 63.446 60.900 2.546 19045 10304 1 14 . 1 1 41 41 TYR CB C 41 37.528 37.528 38.135 -0.607 19045 10305 1 14 . 1 1 41 41 TYR H H 41 8.578 8.578 8.296 0.282 19045 10306 1 14 . 1 1 42 42 ARG N N 42 121.382 121.382 119.343 2.039 19045 10307 1 14 . 1 1 42 42 ARG HA H 42 3.581 3.581 3.644 -0.063 19045 10308 1 14 . 1 1 42 42 ARG CA C 42 57.999 57.999 60.052 -2.053 19045 10309 1 14 . 1 1 42 42 ARG CB C 42 26.992 26.992 29.917 -2.925 19045 10310 1 14 . 1 1 42 42 ARG H H 42 8.784 8.784 8.046 0.738 19045 10311 1 14 . 1 1 43 43 HIS N N 43 118.684 118.684 118.100 0.584 19045 10312 1 14 . 1 1 43 43 HIS HA H 43 4.291 4.291 4.241 0.050 19045 10313 1 14 . 1 1 43 43 HIS CA C 43 60.041 60.041 59.878 0.163 19045 10314 1 14 . 1 1 43 43 HIS CB C 43 27.938 27.938 29.777 -1.839 19045 10315 1 14 . 1 1 43 43 HIS H H 43 8.268 8.268 8.122 0.146 19045 10316 1 14 . 1 1 44 44 GLN N N 44 117.841 117.841 119.345 -1.504 19045 10317 1 14 . 1 1 44 44 GLN HA H 44 3.638 3.638 3.720 -0.082 19045 10318 1 14 . 1 1 44 44 GLN CA C 44 58.681 58.681 58.903 -0.222 19045 10319 1 14 . 1 1 44 44 GLN CB C 44 28.977 28.977 28.285 0.692 19045 10320 1 14 . 1 1 44 44 GLN H H 44 7.722 7.722 7.656 0.066 19045 10321 1 14 . 1 1 45 45 GLN N N 45 117.756 117.756 116.373 1.383 19045 10322 1 14 . 1 1 45 45 GLN HA H 45 3.932 3.932 4.157 -0.225 19045 10323 1 14 . 1 1 45 45 GLN CA C 45 57.923 57.923 58.034 -0.111 19045 10324 1 14 . 1 1 45 45 GLN CB C 45 28.039 28.039 28.594 -0.555 19045 10325 1 14 . 1 1 45 45 GLN H H 45 7.808 7.808 7.730 0.078 19045 10326 1 14 . 1 1 46 46 GLU N N 46 119.876 119.876 120.404 -0.528 19045 10327 1 14 . 1 1 46 46 GLU HA H 46 3.951 3.951 3.933 0.018 19045 10328 1 14 . 1 1 46 46 GLU CA C 46 58.956 58.956 59.309 -0.353 19045 10329 1 14 . 1 1 46 46 GLU CB C 46 29.166 29.166 28.873 0.293 19045 10330 1 14 . 1 1 46 46 GLU H H 46 7.781 7.781 8.262 -0.481 19045 10331 1 14 . 1 1 47 47 GLN N N 47 118.282 118.282 117.631 0.651 19045 10332 1 14 . 1 1 47 47 GLN HA H 47 3.800 3.800 4.253 -0.453 19045 10333 1 14 . 1 1 47 47 GLN CA C 47 57.892 57.892 58.450 -0.558 19045 10334 1 14 . 1 1 47 47 GLN CB C 47 28.662 28.662 28.569 0.093 19045 10335 1 14 . 1 1 47 47 GLN H H 47 7.775 7.775 8.001 -0.226 19045 10336 1 14 . 1 1 48 48 GLU N N 48 118.519 118.519 116.501 2.018 19045 10337 1 14 . 1 1 48 48 GLU HA H 48 4.009 4.009 4.108 -0.099 19045 10338 1 14 . 1 1 48 48 GLU CA C 48 57.586 57.586 58.299 -0.713 19045 10339 1 14 . 1 1 48 48 GLU CB C 48 28.922 28.922 29.124 -0.202 19045 10340 1 14 . 1 1 48 48 GLU H H 48 7.721 7.721 7.875 -0.154 19045 10341 1 14 . 1 1 49 49 ALA N N 49 121.657 121.657 122.648 -0.991 19045 10342 1 14 . 1 1 49 49 ALA HA H 49 4.140 4.140 4.269 -0.129 19045 10343 1 14 . 1 1 49 49 ALA CA C 49 53.389 53.389 53.391 -0.002 19045 10344 1 14 . 1 1 49 49 ALA CB C 49 19.111 19.111 19.790 -0.679 19045 10345 1 14 . 1 1 49 49 ALA H H 49 7.675 7.675 7.934 -0.259 19045 10346 1 14 . 1 1 50 50 GLU N N 50 116.803 116.803 113.996 2.807 19045 10347 1 14 . 1 1 50 50 GLU HA H 50 4.182 4.182 4.598 -0.416 19045 10348 1 14 . 1 1 50 50 GLU CA C 50 56.420 56.420 54.811 1.609 19045 10349 1 14 . 1 1 50 50 GLU CB C 50 29.798 29.798 31.916 -2.118 19045 10350 1 14 . 1 1 50 50 GLU H H 50 8.106 8.106 7.785 0.322 19045 10351 1 14 . 1 1 51 51 GLY N N 51 109.812 109.812 107.462 2.350 19045 10352 1 14 . 1 1 51 51 GLY CA C 51 45.739 45.739 45.129 0.610 19045 10353 1 14 . 1 1 51 51 GLY H H 51 8.060 8.060 8.584 -0.523 19045 10354 1 14 . 1 1 52 52 VAL N N 52 118.668 118.668 116.117 2.551 19045 10355 1 14 . 1 1 52 52 VAL HA H 52 4.001 4.001 4.467 -0.466 19045 10356 1 14 . 1 1 52 52 VAL CA C 52 62.175 62.175 61.103 1.072 19045 10357 1 14 . 1 1 52 52 VAL CB C 52 32.294 32.294 32.887 -0.593 19045 10358 1 14 . 1 1 52 52 VAL H H 52 7.718 7.718 7.475 0.243 19045 10359 1 14 . 1 1 53 53 ALA N N 53 125.624 125.624 124.528 1.096 19045 10360 1 14 . 1 1 53 53 ALA HA H 53 4.220 4.220 4.148 0.072 19045 10361 1 14 . 1 1 53 53 ALA CA C 53 51.869 51.869 52.499 -0.630 19045 10362 1 14 . 1 1 53 53 ALA CB C 53 19.065 19.065 17.592 1.473 19045 10363 1 14 . 1 1 53 53 ALA H H 53 8.073 8.073 8.669 -0.596 19045 10364 1 14 . 1 1 54 54 ALA N N 54 123.638 123.638 121.354 2.284 19045 10365 1 14 . 1 1 54 54 ALA HA H 54 4.472 4.472 4.618 -0.146 19045 10366 1 14 . 1 1 54 54 ALA CA C 54 49.869 49.869 49.766 0.103 19045 10367 1 14 . 1 1 54 54 ALA CB C 54 18.488 18.488 19.652 -1.164 19045 10368 1 14 . 1 1 54 54 ALA H H 54 7.718 7.718 8.035 -0.317 19045 10369 1 14 . 1 1 55 55 PRO HA H 55 4.292 4.292 4.361 -0.069 19045 10370 1 14 . 1 1 55 55 PRO CA C 55 62.966 62.966 63.011 -0.045 19045 10371 1 14 . 1 1 55 55 PRO CB C 55 31.754 31.754 32.412 -0.658 19045 10372 1 14 . 1 1 56 56 ALA N N 56 124.218 124.218 122.624 1.594 19045 10373 1 14 . 1 1 56 56 ALA HA H 56 4.220 4.220 4.443 -0.223 19045 10374 1 14 . 1 1 56 56 ALA CB C 56 19.119 19.119 20.284 -1.165 19045 10375 1 14 . 1 1 56 56 ALA H H 56 8.259 8.259 8.221 0.038 19045 10376 1 14 . 1 1 57 57 ASP N N 57 120.884 120.884 121.212 -0.328 19045 10377 1 14 . 1 1 57 57 ASP HA H 57 4.572 4.572 4.914 -0.342 19045 10378 1 14 . 1 1 57 57 ASP CA C 57 52.742 52.742 53.756 -1.014 19045 10379 1 14 . 1 1 57 57 ASP CB C 57 41.642 41.642 40.206 1.436 19045 10380 1 14 . 1 1 57 57 ASP H H 57 7.829 7.829 8.166 -0.337 19045 10381 1 14 . 1 1 58 58 PRO HA H 58 4.052 4.052 4.305 -0.253 19045 10382 1 14 . 1 1 58 58 PRO CA C 58 64.128 64.128 63.512 0.616 19045 10383 1 14 . 1 1 58 58 PRO CB C 58 31.989 31.989 32.224 -0.235 19045 10384 1 14 . 1 1 59 59 GLU HA H 59 4.549 4.549 4.308 0.241 19045 10385 1 14 . 1 1 59 59 GLU CA C 59 54.266 54.266 56.419 -2.153 19045 10386 1 14 . 1 1 59 59 GLU CB C 59 29.285 29.285 30.283 -0.998 19045 10387 1 14 . 1 1 60 60 MET HA H 60 3.846 3.846 4.231 -0.385 19045 10388 1 14 . 1 1 60 60 MET CA C 60 57.219 57.219 58.202 -0.983 19045 10389 1 14 . 1 1 60 60 MET CB C 60 31.894 31.894 32.530 -0.636 19045 10390 1 14 . 1 1 60 60 MET H H 60 7.070 7.070 8.519 -1.449 19045 10391 1 14 . 1 1 61 61 VAL N N 61 113.014 113.014 115.734 -2.720 19045 10392 1 14 . 1 1 61 61 VAL HA H 61 4.051 4.051 3.957 0.094 19045 10393 1 14 . 1 1 61 61 VAL CA C 61 62.799 62.799 62.780 0.019 19045 10394 1 14 . 1 1 61 61 VAL CB C 61 31.993 31.993 30.846 1.147 19045 10395 1 14 . 1 1 61 61 VAL H H 61 6.833 6.833 7.787 -0.954 19045 10396 1 14 . 1 1 62 62 THR N N 62 110.188 110.188 113.907 -3.719 19045 10397 1 14 . 1 1 62 62 THR HA H 62 4.230 4.230 4.260 -0.030 19045 10398 1 14 . 1 1 62 62 THR CA C 62 60.947 60.947 62.868 -1.921 19045 10399 1 14 . 1 1 62 62 THR CB C 62 69.192 69.192 69.573 -0.381 19045 10400 1 14 . 1 1 62 62 THR H H 62 7.101 7.101 7.665 -0.564 19045 10401 1 14 . 1 1 63 63 LEU N N 63 125.158 125.158 123.185 1.973 19045 10402 1 14 . 1 1 63 63 LEU HA H 63 4.205 4.205 4.705 -0.500 19045 10403 1 14 . 1 1 63 63 LEU CA C 63 52.688 52.688 50.464 2.224 19045 10404 1 14 . 1 1 63 63 LEU CB C 63 42.252 42.252 41.725 0.527 19045 10405 1 14 . 1 1 63 63 LEU H H 63 7.079 7.079 8.331 -1.252 19045 10406 1 14 . 1 1 64 64 PRO HA H 64 4.282 4.282 4.344 -0.062 19045 10407 1 14 . 1 1 64 64 PRO CA C 64 62.613 62.613 62.128 0.485 19045 10408 1 14 . 1 1 64 64 PRO CB C 64 30.705 30.705 30.782 -0.077 19045 10409 1 14 . 1 1 65 65 LEU N N 65 122.384 122.384 125.263 -2.879 19045 10410 1 14 . 1 1 65 65 LEU HA H 65 4.234 4.234 4.016 0.218 19045 10411 1 14 . 1 1 65 65 LEU CA C 65 54.499 54.499 55.726 -1.227 19045 10412 1 14 . 1 1 65 65 LEU CB C 65 43.438 43.438 42.706 0.732 19045 10413 1 14 . 1 1 65 65 LEU H H 65 7.653 7.653 7.250 0.403 19045 10414 1 14 . 1 1 66 66 GLN N N 66 121.802 121.802 122.000 -0.198 19045 10415 1 14 . 1 1 66 66 GLN HA H 66 4.209 4.209 4.695 -0.486 19045 10416 1 14 . 1 1 66 66 GLN CA C 66 52.783 52.783 53.274 -0.491 19045 10417 1 14 . 1 1 66 66 GLN CB C 66 28.136 28.136 28.636 -0.499 19045 10418 1 14 . 1 1 66 66 GLN H H 66 8.634 8.634 8.503 0.131 19045 10419 1 14 . 1 1 67 67 PRO HA H 67 4.139 4.139 4.474 -0.335 19045 10420 1 14 . 1 1 67 67 PRO CA C 67 64.488 64.488 63.980 0.508 19045 10421 1 14 . 1 1 67 67 PRO CB C 67 32.003 32.003 31.781 0.222 19045 10422 1 14 . 1 1 68 68 SER N N 68 111.024 111.024 112.979 -1.955 19045 10423 1 14 . 1 1 68 68 SER HA H 68 4.313 4.313 4.469 -0.156 19045 10424 1 14 . 1 1 68 68 SER CA C 68 57.991 57.991 58.297 -0.306 19045 10425 1 14 . 1 1 68 68 SER CB C 68 63.252 63.252 63.523 -0.271 19045 10426 1 14 . 1 1 68 68 SER H H 68 8.119 8.119 8.384 -0.265 19045 10427 1 14 . 1 1 69 69 SER N N 69 117.598 117.598 116.244 1.354 19045 10428 1 14 . 1 1 69 69 SER HA H 69 4.440 4.440 4.759 -0.319 19045 10429 1 14 . 1 1 69 69 SER CA C 69 57.518 57.518 57.241 0.277 19045 10430 1 14 . 1 1 69 69 SER CB C 69 64.587 64.587 65.541 -0.954 19045 10431 1 14 . 1 1 69 69 SER H H 69 7.723 7.723 7.468 0.255 19045 10432 1 14 . 1 1 70 70 THR N N 70 121.887 121.887 118.942 2.945 19045 10433 1 14 . 1 1 70 70 THR HA H 70 3.873 3.873 4.062 -0.189 19045 10434 1 14 . 1 1 70 70 THR CA C 70 66.723 66.723 66.048 0.675 19045 10435 1 14 . 1 1 70 70 THR CB C 70 68.385 68.385 68.883 -0.498 19045 10436 1 14 . 1 1 70 70 THR H H 70 8.827 8.827 8.584 0.243 19045 10437 1 14 . 1 1 71 71 MET N N 71 117.344 117.344 120.732 -3.388 19045 10438 1 14 . 1 1 71 71 MET HA H 71 4.469 4.469 4.155 0.314 19045 10439 1 14 . 1 1 71 71 MET CA C 71 56.260 56.260 59.465 -3.205 19045 10440 1 14 . 1 1 71 71 MET CB C 71 31.696 31.696 31.839 -0.143 19045 10441 1 14 . 1 1 71 71 MET H H 71 8.454 8.454 8.010 0.444 19045 10442 1 14 . 1 1 72 72 GLY N N 72 108.884 108.884 103.749 5.135 19045 10443 1 14 . 1 1 72 72 GLY CA C 72 46.884 46.884 46.929 -0.045 19045 10444 1 14 . 1 1 72 72 GLY H H 72 7.979 7.979 8.217 -0.238 19045 10445 1 14 . 1 1 73 73 GLN N N 73 121.522 121.522 119.998 1.524 19045 10446 1 14 . 1 1 73 73 GLN HA H 73 3.857 3.857 4.354 -0.497 19045 10447 1 14 . 1 1 73 73 GLN CA C 73 58.220 58.220 57.348 0.872 19045 10448 1 14 . 1 1 73 73 GLN CB C 73 28.309 28.309 28.758 -0.449 19045 10449 1 14 . 1 1 73 73 GLN H H 73 7.859 7.859 7.951 -0.092 19045 10450 1 14 . 1 1 74 74 VAL N N 74 121.291 121.291 121.234 0.057 19045 10451 1 14 . 1 1 74 74 VAL HA H 74 3.359 3.359 3.774 -0.415 19045 10452 1 14 . 1 1 74 74 VAL CA C 74 67.150 67.150 66.034 1.116 19045 10453 1 14 . 1 1 74 74 VAL CB C 74 31.249 31.249 31.696 -0.447 19045 10454 1 14 . 1 1 74 74 VAL H H 74 8.155 8.155 7.839 0.316 19045 10455 1 14 . 1 1 75 75 GLY N N 75 105.037 105.037 106.140 -1.103 19045 10456 1 14 . 1 1 75 75 GLY CA C 75 48.385 48.385 47.500 0.885 19045 10457 1 14 . 1 1 75 75 GLY H H 75 8.154 8.154 8.044 0.110 19045 10458 1 14 . 1 1 76 76 ARG N N 76 119.292 119.292 121.073 -1.781 19045 10459 1 14 . 1 1 76 76 ARG HA H 76 3.320 3.320 3.425 -0.105 19045 10460 1 14 . 1 1 76 76 ARG CA C 76 59.540 59.540 59.123 0.417 19045 10461 1 14 . 1 1 76 76 ARG CB C 76 30.130 30.130 29.698 0.432 19045 10462 1 14 . 1 1 76 76 ARG H H 76 7.512 7.512 7.693 -0.181 19045 10463 1 14 . 1 1 77 77 GLN N N 77 118.008 118.008 118.744 -0.736 19045 10464 1 14 . 1 1 77 77 GLN HA H 77 3.951 3.951 4.024 -0.073 19045 10465 1 14 . 1 1 77 77 GLN CA C 77 58.337 58.337 58.624 -0.287 19045 10466 1 14 . 1 1 77 77 GLN CB C 77 27.512 27.512 28.191 -0.679 19045 10467 1 14 . 1 1 77 77 GLN H H 77 7.852 7.852 7.474 0.378 19045 10468 1 14 . 1 1 78 78 LEU N N 78 116.018 116.018 119.548 -3.530 19045 10469 1 14 . 1 1 78 78 LEU HA H 78 4.078 4.078 3.956 0.122 19045 10470 1 14 . 1 1 78 78 LEU CA C 78 57.391 57.391 58.184 -0.793 19045 10471 1 14 . 1 1 78 78 LEU CB C 78 40.999 40.999 41.728 -0.729 19045 10472 1 14 . 1 1 78 78 LEU H H 78 8.412 8.412 8.406 0.006 19045 10473 1 14 . 1 1 79 79 ALA N N 79 120.914 120.914 119.265 1.649 19045 10474 1 14 . 1 1 79 79 ALA HA H 79 3.896 3.896 3.773 0.123 19045 10475 1 14 . 1 1 79 79 ALA CA C 79 54.789 54.789 54.635 0.154 19045 10476 1 14 . 1 1 79 79 ALA CB C 79 17.880 17.880 18.253 -0.373 19045 10477 1 14 . 1 1 79 79 ALA H H 79 7.789 7.789 8.071 -0.282 19045 10478 1 14 . 1 1 80 80 ILE N N 80 117.984 117.984 117.409 0.575 19045 10479 1 14 . 1 1 80 80 ILE HA H 80 3.895 3.895 3.712 0.183 19045 10480 1 14 . 1 1 80 80 ILE CA C 80 63.576 63.576 64.560 -0.984 19045 10481 1 14 . 1 1 80 80 ILE CB C 80 38.607 38.607 38.421 0.186 19045 10482 1 14 . 1 1 80 80 ILE H H 80 7.690 7.690 7.359 0.331 19045 10483 1 14 . 1 1 81 81 ILE HA H 81 3.984 3.984 3.897 0.087 19045 10484 1 14 . 1 1 81 81 ILE CA C 81 63.608 63.608 64.253 -0.645 19045 10485 1 14 . 1 1 81 81 ILE CB C 81 37.587 37.587 37.307 0.280 19045 10486 1 14 . 1 1 81 81 ILE H H 81 7.910 7.910 8.160 -0.250 19045 10487 1 14 . 1 1 82 82 GLY CA C 82 45.566 45.566 44.553 1.013 19045 10488 1 14 . 1 1 82 82 GLY H H 82 7.765 7.765 8.261 -0.496 19045 10489 1 14 . 1 1 83 83 ASP N N 83 119.914 119.914 122.840 -2.926 19045 10490 1 14 . 1 1 83 83 ASP HA H 83 4.332 4.332 4.316 0.016 19045 10491 1 14 . 1 1 83 83 ASP CA C 83 58.161 58.161 57.614 0.547 19045 10492 1 14 . 1 1 83 83 ASP CB C 83 41.771 41.771 41.150 0.621 19045 10493 1 14 . 1 1 83 83 ASP H H 83 7.400 7.400 7.797 -0.397 19045 10494 1 14 . 1 1 84 84 ASP N N 84 116.566 116.566 119.665 -3.099 19045 10495 1 14 . 1 1 84 84 ASP HA H 84 4.200 4.200 4.426 -0.226 19045 10496 1 14 . 1 1 84 84 ASP CA C 84 57.270 57.270 57.215 0.055 19045 10497 1 14 . 1 1 84 84 ASP CB C 84 40.593 40.593 40.320 0.273 19045 10498 1 14 . 1 1 84 84 ASP H H 84 8.523 8.523 8.241 0.282 19045 10499 1 14 . 1 1 85 85 ILE N N 85 120.454 120.454 118.914 1.540 19045 10500 1 14 . 1 1 85 85 ILE HA H 85 3.753 3.753 3.796 -0.043 19045 10501 1 14 . 1 1 85 85 ILE CA C 85 63.782 63.782 64.623 -0.840 19045 10502 1 14 . 1 1 85 85 ILE CB C 85 37.546 37.546 37.207 0.339 19045 10503 1 14 . 1 1 85 85 ILE H H 85 7.707 7.707 8.040 -0.333 19045 10504 1 14 . 1 1 86 86 ASN N N 86 118.583 118.583 118.821 -0.238 19045 10505 1 14 . 1 1 86 86 ASN HA H 86 4.472 4.472 4.446 0.026 19045 10506 1 14 . 1 1 86 86 ASN CA C 86 56.087 56.087 56.524 -0.437 19045 10507 1 14 . 1 1 86 86 ASN CB C 86 37.614 37.614 38.718 -1.104 19045 10508 1 14 . 1 1 86 86 ASN H H 86 8.440 8.440 8.065 0.375 19045 10509 1 14 . 1 1 87 87 ARG N N 87 117.819 117.819 118.031 -0.212 19045 10510 1 14 . 1 1 87 87 ARG HA H 87 4.043 4.043 3.958 0.085 19045 10511 1 14 . 1 1 87 87 ARG CA C 87 59.035 59.035 58.746 0.289 19045 10512 1 14 . 1 1 87 87 ARG CB C 87 29.845 29.845 29.730 0.115 19045 10513 1 14 . 1 1 87 87 ARG H H 87 8.214 8.214 7.885 0.329 19045 10514 1 14 . 1 1 88 88 ARG N N 88 117.971 117.971 120.101 -2.130 19045 10515 1 14 . 1 1 88 88 ARG HA H 88 3.965 3.965 4.031 -0.066 19045 10516 1 14 . 1 1 88 88 ARG CA C 88 58.161 58.161 59.145 -0.984 19045 10517 1 14 . 1 1 88 88 ARG CB C 88 30.376 30.376 30.605 -0.229 19045 10518 1 14 . 1 1 88 88 ARG H H 88 7.438 7.438 8.199 -0.761 19045 10519 1 14 . 1 1 89 89 TYR N N 89 114.591 114.591 114.117 0.474 19045 10520 1 14 . 1 1 89 89 TYR HA H 89 4.753 4.753 4.969 -0.216 19045 10521 1 14 . 1 1 89 89 TYR CA C 89 59.481 59.481 57.315 2.166 19045 10522 1 14 . 1 1 89 89 TYR CB C 89 39.610 39.610 37.407 2.203 19045 10523 1 14 . 1 1 89 89 TYR H H 89 7.635 7.635 8.231 -0.596 19045 10524 1 14 . 1 1 90 90 ASP HA H 90 4.820 4.820 4.576 0.244 19045 10525 1 14 . 1 1 90 90 ASP CA C 90 58.200 58.200 56.709 1.491 19045 10526 1 14 . 1 1 90 90 ASP CB C 90 41.407 41.407 40.940 0.467 19045 10527 1 14 . 1 1 90 90 ASP H H 90 8.282 8.282 7.712 0.570 19045 10528 1 14 . 1 1 91 91 SER N N 91 115.266 115.266 115.356 -0.090 19045 10529 1 14 . 1 1 91 91 SER HA H 91 4.170 4.170 4.421 -0.251 19045 10530 1 14 . 1 1 91 91 SER CA C 91 61.780 61.780 61.688 0.092 19045 10531 1 14 . 1 1 91 91 SER CB C 91 61.891 61.891 62.996 -1.105 19045 10532 1 14 . 1 1 91 91 SER H H 91 8.717 8.717 8.030 0.686 19045 10533 1 14 . 1 1 92 92 GLU N N 92 122.093 122.093 119.232 2.861 19045 10534 1 14 . 1 1 92 92 GLU HA H 92 4.056 4.056 4.150 -0.094 19045 10535 1 14 . 1 1 92 92 GLU CA C 92 58.928 58.928 58.546 0.382 19045 10536 1 14 . 1 1 92 92 GLU CB C 92 29.796 29.796 29.113 0.683 19045 10537 1 14 . 1 1 92 92 GLU H H 92 8.025 8.025 8.696 -0.671 19045 10538 1 14 . 1 1 93 93 PHE HA H 93 4.171 4.171 4.340 -0.169 19045 10539 1 14 . 1 1 93 93 PHE CA C 93 60.704 60.704 60.745 -0.042 19045 10540 1 14 . 1 1 93 93 PHE CB C 93 38.780 38.780 40.274 -1.494 19045 10541 1 14 . 1 1 93 93 PHE H H 93 7.801 7.801 7.920 -0.119 19045 10542 1 14 . 1 1 94 94 GLN N N 94 118.578 118.578 118.655 -0.077 19045 10543 1 14 . 1 1 94 94 GLN HA H 94 3.847 3.847 3.856 -0.009 19045 10544 1 14 . 1 1 94 94 GLN CA C 94 59.981 59.981 59.082 0.899 19045 10545 1 14 . 1 1 94 94 GLN CB C 94 28.415 28.415 28.314 0.101 19045 10546 1 14 . 1 1 94 94 GLN H H 94 8.609 8.609 9.085 -0.476 19045 10547 1 14 . 1 1 95 95 THR N N 95 116.128 116.128 116.970 -0.842 19045 10548 1 14 . 1 1 95 95 THR HA H 95 3.811 3.811 3.933 -0.122 19045 10549 1 14 . 1 1 95 95 THR CA C 95 66.391 66.391 66.757 -0.366 19045 10550 1 14 . 1 1 95 95 THR CB C 95 68.361 68.361 68.806 -0.445 19045 10551 1 14 . 1 1 95 95 THR H H 95 7.826 7.826 7.789 0.037 19045 10552 1 14 . 1 1 96 96 MET N N 96 120.474 120.474 117.316 3.158 19045 10553 1 14 . 1 1 96 96 MET HA H 96 3.933 3.933 3.738 0.195 19045 10554 1 14 . 1 1 96 96 MET CA C 96 59.949 59.949 57.967 1.982 19045 10555 1 14 . 1 1 96 96 MET CB C 96 33.087 33.087 32.003 1.084 19045 10556 1 14 . 1 1 96 96 MET H H 96 7.728 7.728 7.215 0.513 19045 10557 1 14 . 1 1 97 97 LEU N N 97 118.904 118.904 120.963 -2.059 19045 10558 1 14 . 1 1 97 97 LEU HA H 97 3.604 3.604 3.708 -0.104 19045 10559 1 14 . 1 1 97 97 LEU CA C 97 57.771 57.771 57.831 -0.060 19045 10560 1 14 . 1 1 97 97 LEU CB C 97 40.836 40.836 40.373 0.463 19045 10561 1 14 . 1 1 97 97 LEU H H 97 8.112 8.112 7.647 0.465 19045 10562 1 14 . 1 1 98 98 GLN N N 98 116.798 116.798 116.917 -0.119 19045 10563 1 14 . 1 1 98 98 GLN HA H 98 4.003 4.003 4.154 -0.151 19045 10564 1 14 . 1 1 98 98 GLN CA C 98 58.337 58.337 58.458 -0.121 19045 10565 1 14 . 1 1 98 98 GLN CB C 98 27.659 27.659 28.767 -1.108 19045 10566 1 14 . 1 1 98 98 GLN H H 98 7.754 7.754 8.240 -0.486 19045 10567 1 14 . 1 1 99 99 HIS N N 99 115.943 115.943 117.268 -1.325 19045 10568 1 14 . 1 1 99 99 HIS HA H 99 4.442 4.442 4.319 0.123 19045 10569 1 14 . 1 1 99 99 HIS CA C 99 57.025 57.025 56.816 0.209 19045 10570 1 14 . 1 1 99 99 HIS CB C 99 28.848 28.848 30.371 -1.523 19045 10571 1 14 . 1 1 99 99 HIS H H 99 7.504 7.504 7.573 -0.069 19045 10572 1 14 . 1 1 100 100 LEU N N 100 121.347 121.347 120.528 0.819 19045 10573 1 14 . 1 1 100 100 LEU HA H 100 3.803 3.803 3.977 -0.174 19045 10574 1 14 . 1 1 100 100 LEU CA C 100 56.801 56.801 56.805 -0.004 19045 10575 1 14 . 1 1 100 100 LEU CB C 100 42.563 42.563 42.566 -0.002 19045 10576 1 14 . 1 1 100 100 LEU H H 100 8.013 8.013 7.612 0.401 19045 10577 1 14 . 1 1 101 101 GLN N N 101 110.029 110.029 114.690 -4.661 19045 10578 1 14 . 1 1 101 101 GLN HA H 101 4.003 4.003 4.144 -0.141 19045 10579 1 14 . 1 1 101 101 GLN CA C 101 55.685 55.685 55.514 0.171 19045 10580 1 14 . 1 1 101 101 GLN CB C 101 27.301 27.301 26.314 0.987 19045 10581 1 14 . 1 1 101 101 GLN H H 101 7.763 7.763 7.896 -0.133 19045 10582 1 14 . 1 1 102 102 PRO HA H 102 4.926 4.926 4.558 0.368 19045 10583 1 14 . 1 1 102 102 PRO CA C 102 62.372 62.372 63.163 -0.791 19045 10584 1 14 . 1 1 102 102 PRO CB C 102 31.963 31.963 32.578 -0.615 19045 10585 1 14 . 1 1 103 103 THR N N 103 114.119 114.119 105.784 8.335 19045 10586 1 14 . 1 1 103 103 THR HA H 103 4.420 4.420 4.530 -0.110 19045 10587 1 14 . 1 1 103 103 THR CA C 103 58.716 58.716 59.286 -0.570 19045 10588 1 14 . 1 1 103 103 THR CB C 103 72.929 72.929 72.084 0.845 19045 10589 1 14 . 1 1 103 103 THR H H 103 9.386 9.386 7.864 1.522 19045 10590 1 14 . 1 1 104 104 ALA N N 104 120.374 120.374 121.324 -0.950 19045 10591 1 14 . 1 1 104 104 ALA HA H 104 3.737 3.737 4.457 -0.720 19045 10592 1 14 . 1 1 104 104 ALA CA C 104 54.782 54.782 54.367 0.415 19045 10593 1 14 . 1 1 104 104 ALA CB C 104 18.050 18.050 18.288 -0.238 19045 10594 1 14 . 1 1 104 104 ALA H H 104 8.723 8.723 8.434 0.289 19045 10595 1 14 . 1 1 105 105 GLU N N 105 113.834 113.834 115.122 -1.288 19045 10596 1 14 . 1 1 105 105 GLU HA H 105 4.122 4.122 4.261 -0.139 19045 10597 1 14 . 1 1 105 105 GLU CA C 105 58.707 58.707 58.635 0.072 19045 10598 1 14 . 1 1 105 105 GLU CB C 105 29.445 29.445 29.502 -0.057 19045 10599 1 14 . 1 1 105 105 GLU H H 105 7.969 7.969 8.560 -0.591 19045 10600 1 14 . 1 1 106 106 ASN N N 106 114.135 114.135 116.672 -2.537 19045 10601 1 14 . 1 1 106 106 ASN HA H 106 4.781 4.781 4.290 0.491 19045 10602 1 14 . 1 1 106 106 ASN CA C 106 52.222 52.222 52.486 -0.264 19045 10603 1 14 . 1 1 106 106 ASN CB C 106 38.983 38.983 38.941 0.042 19045 10604 1 14 . 1 1 106 106 ASN H H 106 7.151 7.151 7.685 -0.534 19045 10605 1 14 . 1 1 107 107 ALA N N 107 121.280 121.280 123.561 -2.281 19045 10606 1 14 . 1 1 107 107 ALA HA H 107 3.858 3.858 4.114 -0.256 19045 10607 1 14 . 1 1 107 107 ALA CA C 107 56.988 56.988 55.390 1.598 19045 10608 1 14 . 1 1 107 107 ALA CB C 107 18.278 18.278 18.755 -0.477 19045 10609 1 14 . 1 1 107 107 ALA H H 107 7.940 7.940 7.959 -0.019 19045 10610 1 14 . 1 1 108 108 TYR N N 108 117.339 117.339 115.871 1.468 19045 10611 1 14 . 1 1 108 108 TYR HA H 108 3.048 3.048 3.852 -0.804 19045 10612 1 14 . 1 1 108 108 TYR CA C 108 60.578 60.578 59.883 0.695 19045 10613 1 14 . 1 1 108 108 TYR CB C 108 36.804 36.804 36.600 0.204 19045 10614 1 14 . 1 1 108 108 TYR H H 108 8.783 8.783 7.927 0.856 19045 10615 1 14 . 1 1 109 109 GLU N N 109 123.316 123.316 121.174 2.142 19045 10616 1 14 . 1 1 109 109 GLU HA H 109 3.681 3.681 3.687 -0.006 19045 10617 1 14 . 1 1 109 109 GLU CA C 109 59.152 59.152 58.911 0.241 19045 10618 1 14 . 1 1 109 109 GLU CB C 109 28.782 28.782 28.891 -0.109 19045 10619 1 14 . 1 1 109 109 GLU H H 109 8.084 8.084 7.242 0.842 19045 10620 1 14 . 1 1 110 110 TYR N N 110 117.254 117.254 117.346 -0.092 19045 10621 1 14 . 1 1 110 110 TYR HA H 110 4.339 4.339 4.353 -0.014 19045 10622 1 14 . 1 1 110 110 TYR CA C 110 58.527 58.527 58.518 0.009 19045 10623 1 14 . 1 1 110 110 TYR CB C 110 36.323 36.323 38.101 -1.778 19045 10624 1 14 . 1 1 110 110 TYR H H 110 8.282 8.282 7.647 0.635 19045 10625 1 14 . 1 1 111 111 PHE N N 111 119.028 119.028 121.045 -2.017 19045 10626 1 14 . 1 1 111 111 PHE HA H 111 3.889 3.889 4.161 -0.272 19045 10627 1 14 . 1 1 111 111 PHE CA C 111 62.350 62.350 61.025 1.325 19045 10628 1 14 . 1 1 111 111 PHE CB C 111 39.369 39.369 39.182 0.187 19045 10629 1 14 . 1 1 111 111 PHE H H 111 9.197 9.197 8.819 0.378 19045 10630 1 14 . 1 1 112 112 THR N N 112 113.669 113.669 112.178 1.491 19045 10631 1 14 . 1 1 112 112 THR HA H 112 3.411 3.411 3.258 0.153 19045 10632 1 14 . 1 1 112 112 THR CA C 112 67.185 67.185 66.715 0.470 19045 10633 1 14 . 1 1 112 112 THR CB C 112 68.294 68.294 68.261 0.033 19045 10634 1 14 . 1 1 112 112 THR H H 112 8.315 8.315 8.531 -0.216 19045 10635 1 14 . 1 1 113 113 LYS N N 113 124.090 124.090 122.599 1.491 19045 10636 1 14 . 1 1 113 113 LYS HA H 113 3.854 3.854 4.123 -0.269 19045 10637 1 14 . 1 1 113 113 LYS CA C 113 60.416 60.416 59.057 1.359 19045 10638 1 14 . 1 1 113 113 LYS CB C 113 33.219 33.219 32.146 1.073 19045 10639 1 14 . 1 1 113 113 LYS H H 113 8.335 8.335 7.149 1.186 19045 10640 1 14 . 1 1 114 114 ILE N N 114 120.457 120.457 119.340 1.117 19045 10641 1 14 . 1 1 114 114 ILE HA H 114 3.145 3.145 3.661 -0.516 19045 10642 1 14 . 1 1 114 114 ILE CA C 114 65.550 65.550 63.250 2.300 19045 10643 1 14 . 1 1 114 114 ILE CB C 114 37.402 37.402 36.203 1.199 19045 10644 1 14 . 1 1 114 114 ILE H H 114 8.042 8.042 7.813 0.229 19045 10645 1 14 . 1 1 115 115 ALA N N 115 121.066 121.066 123.039 -1.973 19045 10646 1 14 . 1 1 115 115 ALA HA H 115 3.219 3.219 3.881 -0.662 19045 10647 1 14 . 1 1 115 115 ALA CA C 115 54.940 54.940 55.251 -0.311 19045 10648 1 14 . 1 1 115 115 ALA CB C 115 16.345 16.345 17.237 -0.892 19045 10649 1 14 . 1 1 115 115 ALA H H 115 8.208 8.208 7.924 0.284 19045 10650 1 14 . 1 1 116 116 THR N N 116 112.803 112.803 115.334 -2.531 19045 10651 1 14 . 1 1 116 116 THR HA H 116 3.808 3.808 4.145 -0.337 19045 10652 1 14 . 1 1 116 116 THR CA C 116 67.557 67.557 66.795 0.762 19045 10653 1 14 . 1 1 116 116 THR CB C 116 68.431 68.431 68.812 -0.381 19045 10654 1 14 . 1 1 116 116 THR H H 116 7.893 7.893 7.917 -0.024 19045 10655 1 14 . 1 1 117 117 SER N N 117 115.935 115.935 117.116 -1.181 19045 10656 1 14 . 1 1 117 117 SER HA H 117 4.070 4.070 4.175 -0.105 19045 10657 1 14 . 1 1 117 117 SER CA C 117 61.879 61.879 61.726 0.153 19045 10658 1 14 . 1 1 117 117 SER CB C 117 62.907 62.907 63.137 -0.230 19045 10659 1 14 . 1 1 117 117 SER H H 117 7.139 7.139 7.822 -0.683 19045 10660 1 14 . 1 1 118 118 LEU N N 118 123.462 123.462 123.185 0.277 19045 10661 1 14 . 1 1 118 118 LEU HA H 118 3.596 3.596 3.860 -0.264 19045 10662 1 14 . 1 1 118 118 LEU CA C 118 58.014 58.014 57.580 0.434 19045 10663 1 14 . 1 1 118 118 LEU CB C 118 41.687 41.687 42.191 -0.504 19045 10664 1 14 . 1 1 118 118 LEU H H 118 7.844 7.844 7.636 0.208 19045 10665 1 14 . 1 1 119 119 PHE N N 119 110.270 110.270 113.656 -3.386 19045 10666 1 14 . 1 1 119 119 PHE HA H 119 4.721 4.721 4.925 -0.204 19045 10667 1 14 . 1 1 119 119 PHE CA C 119 58.698 58.698 56.675 2.023 19045 10668 1 14 . 1 1 119 119 PHE CB C 119 38.838 38.838 36.977 1.861 19045 10669 1 14 . 1 1 119 119 PHE H H 119 6.878 6.878 8.421 -1.543 19045 10670 1 14 . 1 1 120 120 GLU N N 120 123.135 123.135 120.094 3.041 19045 10671 1 14 . 1 1 120 120 GLU HA H 120 4.016 4.016 4.253 -0.237 19045 10672 1 14 . 1 1 120 120 GLU CA C 120 59.532 59.532 59.018 0.514 19045 10673 1 14 . 1 1 120 120 GLU CB C 120 29.337 29.337 30.094 -0.757 19045 10674 1 14 . 1 1 120 120 GLU H H 120 7.551 7.551 7.612 -0.061 19045 10675 1 14 . 1 1 121 121 SER N N 121 107.983 107.983 111.221 -3.238 19045 10676 1 14 . 1 1 121 121 SER HA H 121 4.522 4.522 4.590 -0.068 19045 10677 1 14 . 1 1 121 121 SER CA C 121 57.342 57.342 58.361 -1.020 19045 10678 1 14 . 1 1 121 121 SER CB C 121 63.353 63.353 64.053 -0.700 19045 10679 1 14 . 1 1 121 121 SER H H 121 7.712 7.712 8.285 -0.573 19045 10680 1 14 . 1 1 122 122 GLY N N 122 110.748 110.748 109.333 1.415 19045 10681 1 14 . 1 1 122 122 GLY CA C 122 44.419 44.419 45.270 -0.852 19045 10682 1 14 . 1 1 122 122 GLY H H 122 7.317 7.317 7.902 -0.585 19045 10683 1 14 . 1 1 123 123 ILE N N 123 117.061 117.061 123.581 -6.520 19045 10684 1 14 . 1 1 123 123 ILE HA H 123 3.724 3.724 4.201 -0.477 19045 10685 1 14 . 1 1 123 123 ILE CA C 123 61.383 61.383 60.002 1.381 19045 10686 1 14 . 1 1 123 123 ILE CB C 123 40.588 40.588 38.354 2.234 19045 10687 1 14 . 1 1 123 123 ILE H H 123 7.963 7.963 8.252 -0.289 19045 10688 1 14 . 1 1 124 124 ASN N N 124 117.915 117.915 123.929 -6.014 19045 10689 1 14 . 1 1 124 124 ASN HA H 124 4.204 4.204 4.946 -0.742 19045 10690 1 14 . 1 1 124 124 ASN CA C 124 51.886 51.886 51.533 0.353 19045 10691 1 14 . 1 1 124 124 ASN CB C 124 39.033 39.033 41.134 -2.101 19045 10692 1 14 . 1 1 124 124 ASN H H 124 6.434 6.434 7.852 -1.418 19045 10693 1 14 . 1 1 125 125 TRP N N 125 119.673 119.673 123.159 -3.486 19045 10694 1 14 . 1 1 125 125 TRP HA H 125 4.470 4.470 4.548 -0.078 19045 10695 1 14 . 1 1 125 125 TRP CA C 125 61.257 61.257 60.991 0.266 19045 10696 1 14 . 1 1 125 125 TRP CB C 125 30.287 30.287 29.856 0.431 19045 10697 1 14 . 1 1 125 125 TRP H H 125 8.824 8.824 9.095 -0.271 19045 10698 1 14 . 1 1 126 126 GLY N N 126 107.516 107.516 105.052 2.464 19045 10699 1 14 . 1 1 126 126 GLY CA C 126 48.294 48.294 47.221 1.073 19045 10700 1 14 . 1 1 126 126 GLY H H 126 9.118 9.118 8.393 0.725 19045 10701 1 14 . 1 1 127 127 ARG N N 127 119.610 119.610 121.925 -2.315 19045 10702 1 14 . 1 1 127 127 ARG HA H 127 3.742 3.742 3.980 -0.238 19045 10703 1 14 . 1 1 127 127 ARG CA C 127 59.551 59.551 58.983 0.568 19045 10704 1 14 . 1 1 127 127 ARG CB C 127 31.163 31.163 29.855 1.308 19045 10705 1 14 . 1 1 127 127 ARG H H 127 8.616 8.616 7.575 1.041 19045 10706 1 14 . 1 1 128 128 VAL N N 128 120.289 120.289 120.254 0.035 19045 10707 1 14 . 1 1 128 128 VAL HA H 128 3.662 3.662 3.985 -0.323 19045 10708 1 14 . 1 1 128 128 VAL CA C 128 68.387 68.387 67.014 1.373 19045 10709 1 14 . 1 1 128 128 VAL CB C 128 31.127 31.127 31.561 -0.434 19045 10710 1 14 . 1 1 128 128 VAL H H 128 7.762 7.762 8.004 -0.242 19045 10711 1 14 . 1 1 129 129 VAL N N 129 119.577 119.577 117.021 2.556 19045 10712 1 14 . 1 1 129 129 VAL HA H 129 3.449 3.449 3.665 -0.216 19045 10713 1 14 . 1 1 129 129 VAL CA C 129 67.772 67.772 66.595 1.177 19045 10714 1 14 . 1 1 129 129 VAL CB C 129 30.918 30.918 30.560 0.358 19045 10715 1 14 . 1 1 129 129 VAL H H 129 8.433 8.433 8.432 0.001 19045 10716 1 14 . 1 1 130 130 ALA N N 130 123.330 123.330 123.590 -0.260 19045 10717 1 14 . 1 1 130 130 ALA HA H 130 4.069 4.069 4.076 -0.007 19045 10718 1 14 . 1 1 130 130 ALA CA C 130 54.978 54.978 55.212 -0.234 19045 10719 1 14 . 1 1 130 130 ALA CB C 130 17.446 17.446 18.317 -0.871 19045 10720 1 14 . 1 1 130 130 ALA H H 130 8.766 8.766 8.047 0.719 19045 10721 1 14 . 1 1 131 131 LEU N N 131 120.040 120.040 119.909 0.131 19045 10722 1 14 . 1 1 131 131 LEU HA H 131 3.961 3.961 4.430 -0.469 19045 10723 1 14 . 1 1 131 131 LEU CA C 131 58.353 58.353 58.157 0.196 19045 10724 1 14 . 1 1 131 131 LEU CB C 131 40.750 40.750 42.378 -1.628 19045 10725 1 14 . 1 1 131 131 LEU H H 131 8.178 8.178 7.960 0.218 19045 10726 1 14 . 1 1 132 132 LEU N N 132 119.150 119.150 117.211 1.939 19045 10727 1 14 . 1 1 132 132 LEU HA H 132 3.952 3.952 4.320 -0.368 19045 10728 1 14 . 1 1 132 132 LEU CA C 132 58.620 58.620 57.680 0.940 19045 10729 1 14 . 1 1 132 132 LEU CB C 132 38.835 38.835 41.014 -2.179 19045 10730 1 14 . 1 1 132 132 LEU H H 132 7.927 7.927 7.641 0.286 19045 10731 1 14 . 1 1 133 133 GLY N N 133 107.066 107.066 108.227 -1.161 19045 10732 1 14 . 1 1 133 133 GLY CA C 133 48.339 48.339 47.650 0.689 19045 10733 1 14 . 1 1 133 133 GLY H H 133 8.752 8.752 8.230 0.522 19045 10734 1 14 . 1 1 134 134 PHE N N 134 123.521 123.521 121.147 2.374 19045 10735 1 14 . 1 1 134 134 PHE HA H 134 4.601 4.601 4.527 0.074 19045 10736 1 14 . 1 1 134 134 PHE CA C 134 59.884 59.884 58.111 1.773 19045 10737 1 14 . 1 1 134 134 PHE CB C 134 38.622 38.622 38.191 0.432 19045 10738 1 14 . 1 1 134 134 PHE H H 134 8.606 8.606 8.407 0.199 19045 10739 1 14 . 1 1 135 135 GLY N N 135 106.412 106.412 109.717 -3.305 19045 10740 1 14 . 1 1 135 135 GLY CA C 135 47.731 47.731 47.157 0.574 19045 10741 1 14 . 1 1 135 135 GLY H H 135 8.715 8.715 7.872 0.843 19045 10742 1 14 . 1 1 136 136 TYR N N 136 121.461 121.461 123.421 -1.960 19045 10743 1 14 . 1 1 136 136 TYR HA H 136 4.116 4.116 4.347 -0.231 19045 10744 1 14 . 1 1 136 136 TYR CA C 136 61.564 61.564 61.672 -0.108 19045 10745 1 14 . 1 1 136 136 TYR CB C 136 38.469 38.469 38.894 -0.425 19045 10746 1 14 . 1 1 136 136 TYR H H 136 8.809 8.809 8.205 0.604 19045 10747 1 14 . 1 1 137 137 ARG N N 137 117.518 117.518 120.149 -2.631 19045 10748 1 14 . 1 1 137 137 ARG HA H 137 3.647 3.647 4.162 -0.515 19045 10749 1 14 . 1 1 137 137 ARG CA C 137 58.904 58.904 59.377 -0.473 19045 10750 1 14 . 1 1 137 137 ARG CB C 137 29.189 29.189 30.037 -0.848 19045 10751 1 14 . 1 1 137 137 ARG H H 137 8.646 8.646 7.889 0.757 19045 10752 1 14 . 1 1 138 138 LEU N N 138 121.658 121.658 119.655 2.003 19045 10753 1 14 . 1 1 138 138 LEU HA H 138 3.905 3.905 4.242 -0.337 19045 10754 1 14 . 1 1 138 138 LEU CA C 138 58.454 58.454 58.452 0.002 19045 10755 1 14 . 1 1 138 138 LEU CB C 138 41.801 41.801 42.300 -0.499 19045 10756 1 14 . 1 1 138 138 LEU H H 138 9.065 9.065 8.570 0.495 19045 10757 1 14 . 1 1 139 139 ALA N N 139 120.012 120.012 120.933 -0.921 19045 10758 1 14 . 1 1 139 139 ALA HA H 139 4.004 4.004 4.441 -0.437 19045 10759 1 14 . 1 1 139 139 ALA CA C 139 55.174 55.174 54.959 0.215 19045 10760 1 14 . 1 1 139 139 ALA CB C 139 17.943 17.943 18.423 -0.480 19045 10761 1 14 . 1 1 139 139 ALA H H 139 8.237 8.237 8.042 0.195 19045 10762 1 14 . 1 1 140 140 LEU N N 140 119.522 119.522 120.608 -1.086 19045 10763 1 14 . 1 1 140 140 LEU HA H 140 4.000 4.000 4.061 -0.061 19045 10764 1 14 . 1 1 140 140 LEU CA C 140 57.805 57.805 57.723 0.082 19045 10765 1 14 . 1 1 140 140 LEU CB C 140 42.324 42.324 41.986 0.338 19045 10766 1 14 . 1 1 140 140 LEU H H 140 8.191 8.191 8.174 0.017 19045 10767 1 14 . 1 1 141 141 HIS N N 141 117.834 117.834 118.931 -1.097 19045 10768 1 14 . 1 1 141 141 HIS HA H 141 4.183 4.183 4.306 -0.123 19045 10769 1 14 . 1 1 141 141 HIS CA C 141 60.960 60.960 60.192 0.768 19045 10770 1 14 . 1 1 141 141 HIS CB C 141 31.708 31.708 30.263 1.445 19045 10771 1 14 . 1 1 141 141 HIS H H 141 8.253 8.253 8.338 -0.085 19045 10772 1 14 . 1 1 142 142 VAL N N 142 113.700 113.700 113.849 -0.149 19045 10773 1 14 . 1 1 142 142 VAL HA H 142 3.887 3.887 4.215 -0.328 19045 10774 1 14 . 1 1 142 142 VAL CA C 142 65.948 65.948 63.742 2.206 19045 10775 1 14 . 1 1 142 142 VAL CB C 142 30.264 30.264 32.111 -1.847 19045 10776 1 14 . 1 1 142 142 VAL H H 142 8.455 8.455 7.324 1.131 19045 10777 1 14 . 1 1 143 143 TYR N N 143 123.307 123.307 121.726 1.581 19045 10778 1 14 . 1 1 143 143 TYR HA H 143 4.320 4.320 4.058 0.262 19045 10779 1 14 . 1 1 143 143 TYR CA C 143 61.934 61.934 62.217 -0.283 19045 10780 1 14 . 1 1 143 143 TYR CB C 143 38.779 38.779 39.091 -0.312 19045 10781 1 14 . 1 1 143 143 TYR H H 143 7.750 7.750 8.135 -0.385 19045 10782 1 14 . 1 1 144 144 GLN N N 144 118.560 118.560 117.294 1.266 19045 10783 1 14 . 1 1 144 144 GLN HA H 144 3.686 3.686 3.865 -0.179 19045 10784 1 14 . 1 1 144 144 GLN CA C 144 58.055 58.055 58.648 -0.593 19045 10785 1 14 . 1 1 144 144 GLN CB C 144 27.859 27.859 28.526 -0.666 19045 10786 1 14 . 1 1 144 144 GLN H H 144 8.486 8.486 8.213 0.273 19045 10787 1 14 . 1 1 145 145 HIS N N 145 114.312 114.312 116.299 -1.987 19045 10788 1 14 . 1 1 145 145 HIS HA H 145 4.330 4.330 4.348 -0.018 19045 10789 1 14 . 1 1 145 145 HIS CA C 145 56.178 56.178 57.511 -1.333 19045 10790 1 14 . 1 1 145 145 HIS CB C 145 27.751 27.751 30.328 -2.577 19045 10791 1 14 . 1 1 145 145 HIS H H 145 7.350 7.350 7.792 -0.442 19045 10792 1 14 . 1 1 146 146 GLY N N 146 106.537 106.537 106.486 0.051 19045 10793 1 14 . 1 1 146 146 GLY CA C 146 45.715 45.715 45.000 0.715 19045 10794 1 14 . 1 1 146 146 GLY H H 146 7.471 7.471 7.508 -0.037 19045 10795 1 14 . 1 1 147 147 LEU N N 147 123.302 123.302 121.897 1.405 19045 10796 1 14 . 1 1 147 147 LEU HA H 147 4.496 4.496 4.796 -0.300 19045 10797 1 14 . 1 1 147 147 LEU CA C 147 54.259 54.259 54.171 0.088 19045 10798 1 14 . 1 1 147 147 LEU CB C 147 41.033 41.033 45.483 -4.450 19045 10799 1 14 . 1 1 147 147 LEU H H 147 7.933 7.933 8.016 -0.083 19045 10800 1 14 . 1 1 148 148 THR HA H 148 4.523 4.523 4.597 -0.074 19045 10801 1 14 . 1 1 148 148 THR CA C 148 61.027 61.027 61.372 -0.345 19045 10802 1 14 . 1 1 148 148 THR CB C 148 70.359 70.359 70.423 -0.064 19045 10803 1 14 . 1 1 149 149 GLY CA C 149 47.016 47.016 45.862 1.154 19045 10804 1 14 . 1 1 149 149 GLY H H 149 8.458 8.458 9.138 -0.680 19045 10805 1 14 . 1 1 150 150 PHE N N 150 123.408 123.408 119.466 3.942 19045 10806 1 14 . 1 1 150 150 PHE HA H 150 4.555 4.555 4.751 -0.196 19045 10807 1 14 . 1 1 150 150 PHE CA C 150 57.964 57.964 57.179 0.785 19045 10808 1 14 . 1 1 150 150 PHE CB C 150 42.911 42.911 39.439 3.472 19045 10809 1 14 . 1 1 150 150 PHE H H 150 9.331 9.331 8.191 1.140 19045 10810 1 14 . 1 1 151 151 LEU N N 151 123.032 123.032 120.513 2.519 19045 10811 1 14 . 1 1 151 151 LEU HA H 151 3.859 3.859 3.984 -0.125 19045 10812 1 14 . 1 1 151 151 LEU CA C 151 58.454 58.454 58.271 0.183 19045 10813 1 14 . 1 1 151 151 LEU CB C 151 40.948 40.948 39.927 1.021 19045 10814 1 14 . 1 1 151 151 LEU H H 151 8.470 8.470 7.935 0.535 19045 10815 1 14 . 1 1 152 152 GLY N N 152 108.386 108.386 106.791 1.595 19045 10816 1 14 . 1 1 152 152 GLY CA C 152 46.676 46.676 47.241 -0.565 19045 10817 1 14 . 1 1 152 152 GLY H H 152 8.577 8.577 8.520 0.057 19045 10818 1 14 . 1 1 153 153 GLN N N 153 122.055 122.055 121.084 0.971 19045 10819 1 14 . 1 1 153 153 GLN HA H 153 3.532 3.532 3.553 -0.021 19045 10820 1 14 . 1 1 153 153 GLN CA C 153 57.844 57.844 58.434 -0.590 19045 10821 1 14 . 1 1 153 153 GLN CB C 153 26.442 26.442 28.120 -1.678 19045 10822 1 14 . 1 1 153 153 GLN H H 153 7.106 7.106 8.004 -0.898 19045 10823 1 14 . 1 1 154 154 VAL N N 154 116.706 116.706 119.701 -2.995 19045 10824 1 14 . 1 1 154 154 VAL HA H 154 2.428 2.428 3.346 -0.918 19045 10825 1 14 . 1 1 154 154 VAL CA C 154 66.089 66.089 66.439 -0.350 19045 10826 1 14 . 1 1 154 154 VAL CB C 154 31.463 31.463 30.822 0.641 19045 10827 1 14 . 1 1 154 154 VAL H H 154 7.033 7.033 8.038 -1.005 19045 10828 1 14 . 1 1 155 155 THR N N 155 114.165 114.165 113.871 0.294 19045 10829 1 14 . 1 1 155 155 THR HA H 155 3.317 3.317 3.487 -0.170 19045 10830 1 14 . 1 1 155 155 THR CA C 155 67.050 67.050 66.078 0.972 19045 10831 1 14 . 1 1 155 155 THR CB C 155 68.307 68.307 68.000 0.307 19045 10832 1 14 . 1 1 155 155 THR H H 155 7.860 7.860 8.099 -0.239 19045 10833 1 14 . 1 1 156 156 ARG N N 156 119.890 119.890 121.653 -1.763 19045 10834 1 14 . 1 1 156 156 ARG HA H 156 3.769 3.769 3.980 -0.211 19045 10835 1 14 . 1 1 156 156 ARG CA C 156 58.769 58.769 58.818 -0.049 19045 10836 1 14 . 1 1 156 156 ARG CB C 156 28.693 28.693 29.522 -0.829 19045 10837 1 14 . 1 1 156 156 ARG H H 156 7.019 7.019 7.772 -0.753 19045 10838 1 14 . 1 1 157 157 PHE N N 157 118.242 118.242 119.063 -0.821 19045 10839 1 14 . 1 1 157 157 PHE HA H 157 4.426 4.426 4.356 0.070 19045 10840 1 14 . 1 1 157 157 PHE CA C 157 56.928 56.928 61.004 -4.076 19045 10841 1 14 . 1 1 157 157 PHE CB C 157 35.794 35.794 37.791 -1.997 19045 10842 1 14 . 1 1 157 157 PHE H H 157 8.030 8.030 8.199 -0.169 19045 10843 1 14 . 1 1 158 158 VAL N N 158 118.961 118.961 119.332 -0.371 19045 10844 1 14 . 1 1 158 158 VAL HA H 158 3.425 3.425 3.919 -0.494 19045 10845 1 14 . 1 1 158 158 VAL CA C 158 67.288 67.288 67.147 0.141 19045 10846 1 14 . 1 1 158 158 VAL CB C 158 31.554 31.554 31.368 0.186 19045 10847 1 14 . 1 1 158 158 VAL H H 158 7.607 7.607 8.235 -0.628 19045 10848 1 14 . 1 1 159 159 VAL N N 159 119.773 119.773 120.006 -0.233 19045 10849 1 14 . 1 1 159 159 VAL HA H 159 3.358 3.358 3.615 -0.257 19045 10850 1 14 . 1 1 159 159 VAL CA C 159 67.570 67.570 66.168 1.402 19045 10851 1 14 . 1 1 159 159 VAL CB C 159 32.355 32.355 30.635 1.720 19045 10852 1 14 . 1 1 159 159 VAL H H 159 8.039 8.039 8.125 -0.086 19045 10853 1 14 . 1 1 160 160 ASP N N 160 118.382 118.382 120.459 -2.077 19045 10854 1 14 . 1 1 160 160 ASP HA H 160 4.293 4.293 4.447 -0.154 19045 10855 1 14 . 1 1 160 160 ASP CA C 160 57.567 57.567 57.561 0.006 19045 10856 1 14 . 1 1 160 160 ASP CB C 160 41.474 41.474 40.922 0.552 19045 10857 1 14 . 1 1 160 160 ASP H H 160 8.752 8.752 8.328 0.424 19045 10858 1 14 . 1 1 161 161 PHE N N 161 119.972 119.972 121.228 -1.256 19045 10859 1 14 . 1 1 161 161 PHE HA H 161 4.175 4.175 4.234 -0.059 19045 10860 1 14 . 1 1 161 161 PHE CA C 161 62.688 62.688 61.304 1.384 19045 10861 1 14 . 1 1 161 161 PHE CB C 161 39.789 39.789 39.297 0.492 19045 10862 1 14 . 1 1 161 161 PHE H H 161 8.558 8.558 8.581 -0.023 19045 10863 1 14 . 1 1 162 162 MET N N 162 116.261 116.261 120.212 -3.951 19045 10864 1 14 . 1 1 162 162 MET HA H 162 3.702 3.702 4.017 -0.315 19045 10865 1 14 . 1 1 162 162 MET CA C 162 59.342 59.342 59.737 -0.395 19045 10866 1 14 . 1 1 162 162 MET CB C 162 32.081 32.081 32.888 -0.807 19045 10867 1 14 . 1 1 162 162 MET H H 162 8.597 8.597 8.800 -0.203 19045 10868 1 14 . 1 1 163 163 LEU N N 163 119.069 119.069 114.729 4.340 19045 10869 1 14 . 1 1 163 163 LEU HA H 163 3.952 3.952 4.045 -0.093 19045 10870 1 14 . 1 1 163 163 LEU CA C 163 57.856 57.856 55.728 2.128 19045 10871 1 14 . 1 1 163 163 LEU CB C 163 42.236 42.236 41.801 0.435 19045 10872 1 14 . 1 1 163 163 LEU H H 163 8.291 8.291 7.632 0.659 19045 10873 1 14 . 1 1 164 164 HIS N N 164 113.591 113.591 115.920 -2.329 19045 10874 1 14 . 1 1 164 164 HIS HA H 164 4.430 4.430 4.714 -0.284 19045 10875 1 14 . 1 1 164 164 HIS CA C 164 57.289 57.289 55.702 1.587 19045 10876 1 14 . 1 1 164 164 HIS CB C 164 28.766 28.766 30.106 -1.340 19045 10877 1 14 . 1 1 164 164 HIS H H 164 8.111 8.111 7.605 0.506 19045 10878 1 14 . 1 1 165 165 HIS N N 165 115.730 115.730 118.163 -2.433 19045 10879 1 14 . 1 1 165 165 HIS HA H 165 4.602 4.602 4.532 0.070 19045 10880 1 14 . 1 1 165 165 HIS CA C 165 54.752 54.752 55.917 -1.165 19045 10881 1 14 . 1 1 165 165 HIS CB C 165 26.766 26.766 29.914 -3.148 19045 10882 1 14 . 1 1 165 165 HIS H H 165 7.789 7.789 7.541 0.248 19045 10883 1 14 . 1 1 166 166 CYS N N 166 109.533 109.533 116.814 -7.281 19045 10884 1 14 . 1 1 166 166 CYS HA H 166 4.274 4.274 4.068 0.206 19045 10885 1 14 . 1 1 166 166 CYS CA C 166 61.452 61.452 59.988 1.464 19045 10886 1 14 . 1 1 166 166 CYS CB C 166 25.215 25.215 26.678 -1.463 19045 10887 1 14 . 1 1 166 166 CYS H H 166 7.761 7.761 8.444 -0.683 19045 10888 1 14 . 1 1 167 167 ILE N N 167 119.980 119.980 120.228 -0.248 19045 10889 1 14 . 1 1 167 167 ILE HA H 167 3.563 3.563 3.770 -0.207 19045 10890 1 14 . 1 1 167 167 ILE CA C 167 62.212 62.212 63.152 -0.940 19045 10891 1 14 . 1 1 167 167 ILE CB C 167 35.969 35.969 36.422 -0.453 19045 10892 1 14 . 1 1 167 167 ILE H H 167 7.574 7.574 7.736 -0.162 19045 10893 1 14 . 1 1 168 168 ALA N N 168 121.737 121.737 122.743 -1.006 19045 10894 1 14 . 1 1 168 168 ALA HA H 168 3.775 3.775 3.872 -0.097 19045 10895 1 14 . 1 1 168 168 ALA CA C 168 55.082 55.082 55.736 -0.654 19045 10896 1 14 . 1 1 168 168 ALA CB C 168 16.505 16.505 18.316 -1.811 19045 10897 1 14 . 1 1 168 168 ALA H H 168 7.935 7.935 7.675 0.260 19045 10898 1 14 . 1 1 169 169 ARG N N 169 118.369 118.369 117.759 0.610 19045 10899 1 14 . 1 1 169 169 ARG HA H 169 3.550 3.550 3.954 -0.404 19045 10900 1 14 . 1 1 169 169 ARG CA C 169 59.581 59.581 59.070 0.511 19045 10901 1 14 . 1 1 169 169 ARG CB C 169 29.380 29.380 29.616 -0.235 19045 10902 1 14 . 1 1 169 169 ARG H H 169 7.936 7.936 8.399 -0.463 19045 10903 1 14 . 1 1 170 170 TRP N N 170 121.173 121.173 122.145 -0.972 19045 10904 1 14 . 1 1 170 170 TRP HA H 170 3.763 3.763 4.203 -0.440 19045 10905 1 14 . 1 1 170 170 TRP CA C 170 62.080 62.080 61.747 0.333 19045 10906 1 14 . 1 1 170 170 TRP CB C 170 29.423 29.423 29.060 0.363 19045 10907 1 14 . 1 1 170 170 TRP H H 170 7.259 7.259 7.352 -0.093 19045 10908 1 14 . 1 1 171 171 ILE N N 171 117.994 117.994 118.477 -0.483 19045 10909 1 14 . 1 1 171 171 ILE HA H 171 2.864 2.864 3.019 -0.155 19045 10910 1 14 . 1 1 171 171 ILE CA C 171 65.347 65.347 64.720 0.627 19045 10911 1 14 . 1 1 171 171 ILE CB C 171 37.781 37.781 37.482 0.299 19045 10912 1 14 . 1 1 171 171 ILE H H 171 8.074 8.074 8.148 -0.074 19045 10913 1 14 . 1 1 172 172 ALA N N 172 123.588 123.588 121.195 2.393 19045 10914 1 14 . 1 1 172 172 ALA HA H 172 3.506 3.506 3.884 -0.378 19045 10915 1 14 . 1 1 172 172 ALA CA C 172 55.685 55.685 54.976 0.709 19045 10916 1 14 . 1 1 172 172 ALA CB C 172 17.050 17.050 18.345 -1.295 19045 10917 1 14 . 1 1 172 172 ALA H H 172 8.511 8.511 7.882 0.629 19045 10918 1 14 . 1 1 173 173 GLN N N 173 117.382 117.382 115.880 1.502 19045 10919 1 14 . 1 1 173 173 GLN HA H 173 3.854 3.854 3.970 -0.116 19045 10920 1 14 . 1 1 173 173 GLN CA C 173 57.904 57.904 58.163 -0.258 19045 10921 1 14 . 1 1 173 173 GLN CB C 173 28.141 28.141 28.565 -0.424 19045 10922 1 14 . 1 1 173 173 GLN H H 173 7.898 7.898 7.628 0.270 19045 10923 1 14 . 1 1 174 174 ARG N N 174 116.800 116.800 115.714 1.086 19045 10924 1 14 . 1 1 174 174 ARG HA H 174 4.097 4.097 4.046 0.051 19045 10925 1 14 . 1 1 174 174 ARG CA C 174 55.395 55.395 55.686 -0.291 19045 10926 1 14 . 1 1 174 174 ARG CB C 174 29.652 29.652 29.943 -0.291 19045 10927 1 14 . 1 1 174 174 ARG H H 174 6.984 6.984 7.354 -0.370 19045 10928 1 14 . 1 1 175 175 GLY N N 175 104.194 104.194 106.327 -2.133 19045 10929 1 14 . 1 1 175 175 GLY CA C 175 44.340 44.340 44.618 -0.278 19045 10930 1 14 . 1 1 175 175 GLY H H 175 7.418 7.418 7.345 0.073 19045 10931 1 14 . 1 1 176 176 GLY N N 176 107.629 107.629 107.733 -0.104 19045 10932 1 14 . 1 1 176 176 GLY CA C 176 43.501 43.501 44.970 -1.469 19045 10933 1 14 . 1 1 176 176 GLY H H 176 8.072 8.072 7.692 0.380 19045 10934 1 14 . 1 1 177 177 TRP N N 177 117.887 117.887 121.342 -3.455 19045 10935 1 14 . 1 1 177 177 TRP HA H 177 4.476 4.476 4.714 -0.238 19045 10936 1 14 . 1 1 177 177 TRP CA C 177 61.083 61.083 60.234 0.849 19045 10937 1 14 . 1 1 177 177 TRP CB C 177 30.927 30.927 29.409 1.518 19045 10938 1 14 . 1 1 177 177 TRP H H 177 8.218 8.218 8.835 -0.617 19045 10939 1 14 . 1 1 178 178 VAL N N 178 112.929 112.929 117.613 -4.684 19045 10940 1 14 . 1 1 178 178 VAL HA H 178 3.688 3.688 3.885 -0.197 19045 10941 1 14 . 1 1 178 178 VAL CA C 178 64.680 64.680 64.769 -0.089 19045 10942 1 14 . 1 1 178 178 VAL CB C 178 31.057 31.057 30.656 0.401 19045 10943 1 14 . 1 1 178 178 VAL H H 178 8.284 8.284 8.083 0.201 19045 10944 1 14 . 1 1 179 179 ALA N N 179 125.101 125.101 120.812 4.289 19045 10945 1 14 . 1 1 179 179 ALA HA H 179 4.009 4.009 4.352 -0.343 19045 10946 1 14 . 1 1 179 179 ALA CA C 179 54.344 54.344 53.162 1.182 19045 10947 1 14 . 1 1 179 179 ALA CB C 179 18.555 18.555 19.051 -0.496 19045 10948 1 14 . 1 1 179 179 ALA H H 179 7.670 7.670 7.863 -0.193 19045 10949 1 14 . 1 1 180 180 ALA N N 180 119.081 119.081 122.226 -3.145 19045 10950 1 14 . 1 1 180 180 ALA HA H 180 3.293 3.293 3.596 -0.303 19045 10951 1 14 . 1 1 180 180 ALA CA C 180 52.783 52.783 53.897 -1.114 19045 10952 1 14 . 1 1 180 180 ALA CB C 180 18.113 18.113 19.138 -1.025 19045 10953 1 14 . 1 1 180 180 ALA H H 180 8.058 8.058 7.705 0.353 19045 10954 1 14 . 1 1 181 181 LEU N N 181 114.169 114.169 115.707 -1.538 19045 10955 1 14 . 1 1 181 181 LEU HA H 181 3.911 3.911 4.014 -0.103 19045 10956 1 14 . 1 1 181 181 LEU CA C 181 56.128 56.128 56.566 -0.438 19045 10957 1 14 . 1 1 181 181 LEU CB C 181 40.955 40.955 41.113 -0.158 19045 10958 1 14 . 1 1 181 181 LEU H H 181 7.342 7.342 7.477 -0.135 19045 10959 1 14 . 1 1 182 182 ASN N N 182 115.061 115.061 115.627 -0.566 19045 10960 1 14 . 1 1 182 182 ASN HA H 182 4.743 4.743 4.695 0.048 19045 10961 1 14 . 1 1 182 182 ASN CA C 182 52.508 52.508 53.306 -0.798 19045 10962 1 14 . 1 1 182 182 ASN CB C 182 39.091 39.091 38.500 0.591 19045 10963 1 14 . 1 1 182 182 ASN H H 182 7.289 7.289 8.061 -0.772 19045 10964 1 14 . 1 1 183 183 LEU N N 183 119.889 119.889 118.512 1.377 19045 10965 1 14 . 1 1 183 183 LEU HA H 183 4.125 4.125 4.706 -0.581 19045 10966 1 14 . 1 1 183 183 LEU CA C 183 55.201 55.201 54.008 1.193 19045 10967 1 14 . 1 1 183 183 LEU CB C 183 42.174 42.174 44.140 -1.966 19045 10968 1 14 . 1 1 183 183 LEU H H 183 7.148 7.148 7.640 -0.492 19045 10969 1 14 . 1 1 184 184 GLY N N 184 107.883 107.883 108.498 -0.615 19045 10970 1 14 . 1 1 184 184 GLY CA C 184 45.256 45.256 46.804 -1.548 19045 10971 1 14 . 1 1 184 184 GLY H H 184 8.486 8.486 8.520 -0.034 19045 10972 1 14 . 1 1 185 185 ASN N N 185 118.093 118.093 122.880 -4.787 19045 10973 1 14 . 1 1 185 185 ASN HA H 185 4.755 4.755 4.864 -0.109 19045 10974 1 14 . 1 1 185 185 ASN CA C 185 52.812 52.812 52.425 0.387 19045 10975 1 14 . 1 1 185 185 ASN CB C 185 39.297 39.297 39.218 0.080 19045 10976 1 14 . 1 1 185 185 ASN H H 185 8.074 8.074 8.445 -0.371 19045 10977 1 15 . 1 1 19 19 LEU N N 19 122.834 122.834 123.030 -0.196 19045 10978 1 15 . 1 1 19 19 LEU HA H 19 4.523 4.523 4.810 -0.287 19045 10979 1 15 . 1 1 19 19 LEU CA C 19 52.690 52.690 53.770 -1.080 19045 10980 1 15 . 1 1 19 19 LEU CB C 19 41.808 41.808 41.376 0.432 19045 10981 1 15 . 1 1 19 19 LEU H H 19 8.080 8.080 7.892 0.188 19045 10982 1 15 . 1 1 20 20 PRO HA H 20 4.353 4.353 4.583 -0.230 19045 10983 1 15 . 1 1 20 20 PRO CA C 20 62.826 62.826 62.308 0.518 19045 10984 1 15 . 1 1 20 20 PRO CB C 20 31.969 31.969 32.233 -0.264 19045 10985 1 15 . 1 1 21 21 SER N N 21 116.268 116.268 114.499 1.769 19045 10986 1 15 . 1 1 21 21 SER HA H 21 4.249 4.249 4.480 -0.231 19045 10987 1 15 . 1 1 21 21 SER CA C 21 58.338 58.338 58.237 0.101 19045 10988 1 15 . 1 1 21 21 SER CB C 21 63.856 63.856 63.625 0.231 19045 10989 1 15 . 1 1 21 21 SER H H 21 8.246 8.246 8.090 0.156 19045 10990 1 15 . 1 1 22 22 ALA N N 22 125.246 125.246 125.654 -0.408 19045 10991 1 15 . 1 1 22 22 ALA HA H 22 4.405 4.405 4.668 -0.263 19045 10992 1 15 . 1 1 22 22 ALA CA C 22 52.086 52.086 51.717 0.369 19045 10993 1 15 . 1 1 22 22 ALA CB C 22 19.582 19.582 21.049 -1.466 19045 10994 1 15 . 1 1 22 22 ALA H H 22 8.192 8.192 8.403 -0.211 19045 10995 1 15 . 1 1 23 23 SER N N 23 114.236 114.236 115.250 -1.014 19045 10996 1 15 . 1 1 23 23 SER HA H 23 4.469 4.469 4.892 -0.423 19045 10997 1 15 . 1 1 23 23 SER CA C 23 57.386 57.386 56.752 0.634 19045 10998 1 15 . 1 1 23 23 SER CB C 23 64.582 64.582 66.107 -1.525 19045 10999 1 15 . 1 1 23 23 SER H H 23 8.081 8.081 8.399 -0.318 19045 11000 1 15 . 1 1 24 24 GLU N N 24 124.005 124.005 122.497 1.508 19045 11001 1 15 . 1 1 24 24 GLU HA H 24 3.534 3.534 3.857 -0.323 19045 11002 1 15 . 1 1 24 24 GLU CA C 24 59.772 59.772 59.887 -0.115 19045 11003 1 15 . 1 1 24 24 GLU CB C 24 29.798 29.798 29.073 0.725 19045 11004 1 15 . 1 1 24 24 GLU H H 24 8.702 8.702 9.004 -0.302 19045 11005 1 15 . 1 1 25 25 GLU N N 25 118.390 118.390 118.787 -0.397 19045 11006 1 15 . 1 1 25 25 GLU HA H 25 3.796 3.796 3.923 -0.127 19045 11007 1 15 . 1 1 25 25 GLU CA C 25 59.939 59.939 59.199 0.740 19045 11008 1 15 . 1 1 25 25 GLU CB C 25 29.217 29.217 28.401 0.816 19045 11009 1 15 . 1 1 25 25 GLU H H 25 8.559 8.559 8.853 -0.294 19045 11010 1 15 . 1 1 26 26 GLN N N 26 120.776 120.776 119.568 1.208 19045 11011 1 15 . 1 1 26 26 GLN HA H 26 3.916 3.916 4.184 -0.268 19045 11012 1 15 . 1 1 26 26 GLN CA C 26 58.343 58.343 58.192 0.151 19045 11013 1 15 . 1 1 26 26 GLN CB C 26 28.119 28.119 28.115 0.004 19045 11014 1 15 . 1 1 26 26 GLN H H 26 7.764 7.764 7.713 0.051 19045 11015 1 15 . 1 1 27 27 VAL N N 27 118.723 118.723 121.762 -3.039 19045 11016 1 15 . 1 1 27 27 VAL HA H 27 3.933 3.933 3.685 0.248 19045 11017 1 15 . 1 1 27 27 VAL CA C 27 66.285 66.285 66.944 -0.659 19045 11018 1 15 . 1 1 27 27 VAL CB C 27 31.596 31.596 31.579 0.017 19045 11019 1 15 . 1 1 27 27 VAL H H 27 8.062 8.062 8.252 -0.190 19045 11020 1 15 . 1 1 28 28 ALA N N 28 122.902 122.902 121.562 1.340 19045 11021 1 15 . 1 1 28 28 ALA HA H 28 4.026 4.026 3.877 0.149 19045 11022 1 15 . 1 1 28 28 ALA CA C 28 56.178 56.178 55.492 0.686 19045 11023 1 15 . 1 1 28 28 ALA CB C 28 18.463 18.463 17.977 0.486 19045 11024 1 15 . 1 1 28 28 ALA H H 28 8.412 8.412 8.093 0.319 19045 11025 1 15 . 1 1 29 29 GLN N N 29 117.996 117.996 118.314 -0.318 19045 11026 1 15 . 1 1 29 29 GLN HA H 29 4.084 4.084 3.877 0.207 19045 11027 1 15 . 1 1 29 29 GLN CA C 29 59.063 59.063 59.227 -0.164 19045 11028 1 15 . 1 1 29 29 GLN CB C 29 28.452 28.452 28.606 -0.154 19045 11029 1 15 . 1 1 29 29 GLN H H 29 7.900 7.900 7.740 0.160 19045 11030 1 15 . 1 1 30 30 ASP N N 30 121.907 121.907 119.266 2.641 19045 11031 1 15 . 1 1 30 30 ASP HA H 30 4.521 4.521 4.346 0.175 19045 11032 1 15 . 1 1 30 30 ASP CA C 30 57.038 57.038 57.167 -0.129 19045 11033 1 15 . 1 1 30 30 ASP CB C 30 41.939 41.939 40.226 1.713 19045 11034 1 15 . 1 1 30 30 ASP H H 30 8.888 8.888 8.239 0.649 19045 11035 1 15 . 1 1 31 31 THR N N 31 114.861 114.861 116.641 -1.780 19045 11036 1 15 . 1 1 31 31 THR HA H 31 3.493 3.493 3.549 -0.056 19045 11037 1 15 . 1 1 31 31 THR CA C 31 66.946 66.946 66.531 0.415 19045 11038 1 15 . 1 1 31 31 THR CB C 31 68.523 68.523 68.541 -0.018 19045 11039 1 15 . 1 1 31 31 THR H H 31 8.069 8.069 8.232 -0.163 19045 11040 1 15 . 1 1 32 32 GLU N N 32 120.848 120.848 120.731 0.117 19045 11041 1 15 . 1 1 32 32 GLU HA H 32 3.597 3.597 3.800 -0.203 19045 11042 1 15 . 1 1 32 32 GLU CA C 32 60.899 60.899 59.615 1.284 19045 11043 1 15 . 1 1 32 32 GLU CB C 32 28.963 28.963 28.574 0.389 19045 11044 1 15 . 1 1 32 32 GLU H H 32 7.578 7.578 8.083 -0.505 19045 11045 1 15 . 1 1 33 33 GLU N N 33 117.741 117.741 119.868 -2.127 19045 11046 1 15 . 1 1 33 33 GLU HA H 33 3.938 3.938 4.009 -0.071 19045 11047 1 15 . 1 1 33 33 GLU CA C 33 58.768 58.768 58.919 -0.151 19045 11048 1 15 . 1 1 33 33 GLU CB C 33 29.708 29.708 29.442 0.266 19045 11049 1 15 . 1 1 33 33 GLU H H 33 7.446 7.446 7.870 -0.424 19045 11050 1 15 . 1 1 34 34 VAL N N 34 120.239 120.239 119.917 0.322 19045 11051 1 15 . 1 1 34 34 VAL HA H 34 3.108 3.108 3.586 -0.478 19045 11052 1 15 . 1 1 34 34 VAL CA C 34 66.979 66.979 65.869 1.110 19045 11053 1 15 . 1 1 34 34 VAL CB C 34 31.884 31.884 30.938 0.946 19045 11054 1 15 . 1 1 34 34 VAL H H 34 7.792 7.792 7.999 -0.207 19045 11055 1 15 . 1 1 35 35 PHE N N 35 117.559 117.559 121.048 -3.489 19045 11056 1 15 . 1 1 35 35 PHE HA H 35 4.209 4.209 4.069 0.140 19045 11057 1 15 . 1 1 35 35 PHE CA C 35 61.592 61.592 62.034 -0.442 19045 11058 1 15 . 1 1 35 35 PHE CB C 35 39.066 39.066 39.134 -0.068 19045 11059 1 15 . 1 1 35 35 PHE H H 35 8.895 8.895 8.290 0.605 19045 11060 1 15 . 1 1 36 36 ARG N N 36 116.705 116.705 118.461 -1.756 19045 11061 1 15 . 1 1 36 36 ARG HA H 36 3.555 3.555 3.645 -0.090 19045 11062 1 15 . 1 1 36 36 ARG CA C 36 59.906 59.906 59.490 0.416 19045 11063 1 15 . 1 1 36 36 ARG CB C 36 29.654 29.654 29.736 -0.082 19045 11064 1 15 . 1 1 36 36 ARG H H 36 8.182 8.182 8.201 -0.019 19045 11065 1 15 . 1 1 37 37 SER N N 37 112.628 112.628 115.941 -3.313 19045 11066 1 15 . 1 1 37 37 SER HA H 37 4.122 4.122 4.212 -0.090 19045 11067 1 15 . 1 1 37 37 SER CA C 37 61.258 61.258 61.897 -0.639 19045 11068 1 15 . 1 1 37 37 SER CB C 37 63.089 63.089 62.842 0.247 19045 11069 1 15 . 1 1 37 37 SER H H 37 7.845 7.845 8.097 -0.252 19045 11070 1 15 . 1 1 38 38 TYR N N 38 122.458 122.458 123.829 -1.371 19045 11071 1 15 . 1 1 38 38 TYR HA H 38 3.927 3.927 3.958 -0.031 19045 11072 1 15 . 1 1 38 38 TYR CA C 38 62.006 62.006 61.741 0.265 19045 11073 1 15 . 1 1 38 38 TYR CB C 38 38.892 38.892 38.263 0.629 19045 11074 1 15 . 1 1 38 38 TYR H H 38 8.793 8.793 8.136 0.657 19045 11075 1 15 . 1 1 39 39 VAL N N 39 115.951 115.951 116.313 -0.362 19045 11076 1 15 . 1 1 39 39 VAL HA H 39 3.209 3.209 3.138 0.071 19045 11077 1 15 . 1 1 39 39 VAL CA C 39 65.982 65.982 65.584 0.398 19045 11078 1 15 . 1 1 39 39 VAL CB C 39 30.884 30.884 30.832 0.052 19045 11079 1 15 . 1 1 39 39 VAL H H 39 8.348 8.348 7.826 0.522 19045 11080 1 15 . 1 1 40 40 PHE N N 40 119.608 119.608 121.432 -1.824 19045 11081 1 15 . 1 1 40 40 PHE HA H 40 3.915 3.915 4.104 -0.189 19045 11082 1 15 . 1 1 40 40 PHE CA C 40 61.651 61.651 61.163 0.488 19045 11083 1 15 . 1 1 40 40 PHE CB C 40 39.411 39.411 39.323 0.088 19045 11084 1 15 . 1 1 40 40 PHE H H 40 7.596 7.596 7.821 -0.225 19045 11085 1 15 . 1 1 41 41 TYR N N 41 117.686 117.686 120.508 -2.822 19045 11086 1 15 . 1 1 41 41 TYR HA H 41 3.818 3.818 4.020 -0.202 19045 11087 1 15 . 1 1 41 41 TYR CA C 41 63.446 63.446 59.629 3.817 19045 11088 1 15 . 1 1 41 41 TYR CB C 41 37.528 37.528 38.139 -0.611 19045 11089 1 15 . 1 1 41 41 TYR H H 41 8.578 8.578 8.122 0.456 19045 11090 1 15 . 1 1 42 42 ARG N N 42 121.382 121.382 118.881 2.501 19045 11091 1 15 . 1 1 42 42 ARG HA H 42 3.581 3.581 3.843 -0.262 19045 11092 1 15 . 1 1 42 42 ARG CA C 42 57.999 57.999 59.413 -1.414 19045 11093 1 15 . 1 1 42 42 ARG CB C 42 26.992 26.992 29.774 -2.782 19045 11094 1 15 . 1 1 42 42 ARG H H 42 8.784 8.784 7.995 0.789 19045 11095 1 15 . 1 1 43 43 HIS N N 43 118.684 118.684 119.192 -0.508 19045 11096 1 15 . 1 1 43 43 HIS HA H 43 4.291 4.291 4.392 -0.101 19045 11097 1 15 . 1 1 43 43 HIS CA C 43 60.041 60.041 59.615 0.426 19045 11098 1 15 . 1 1 43 43 HIS CB C 43 27.938 27.938 29.948 -2.010 19045 11099 1 15 . 1 1 43 43 HIS H H 43 8.268 8.268 8.028 0.240 19045 11100 1 15 . 1 1 44 44 GLN N N 44 117.841 117.841 118.365 -0.524 19045 11101 1 15 . 1 1 44 44 GLN HA H 44 3.638 3.638 3.835 -0.197 19045 11102 1 15 . 1 1 44 44 GLN CA C 44 58.681 58.681 58.581 0.100 19045 11103 1 15 . 1 1 44 44 GLN CB C 44 28.977 28.977 28.025 0.952 19045 11104 1 15 . 1 1 44 44 GLN H H 44 7.722 7.722 7.800 -0.078 19045 11105 1 15 . 1 1 45 45 GLN N N 45 117.756 117.756 117.468 0.288 19045 11106 1 15 . 1 1 45 45 GLN HA H 45 3.932 3.932 4.072 -0.140 19045 11107 1 15 . 1 1 45 45 GLN CA C 45 57.923 57.923 58.452 -0.529 19045 11108 1 15 . 1 1 45 45 GLN CB C 45 28.039 28.039 28.803 -0.764 19045 11109 1 15 . 1 1 45 45 GLN H H 45 7.808 7.808 7.507 0.301 19045 11110 1 15 . 1 1 46 46 GLU N N 46 119.876 119.876 120.380 -0.504 19045 11111 1 15 . 1 1 46 46 GLU HA H 46 3.951 3.951 3.892 0.059 19045 11112 1 15 . 1 1 46 46 GLU CA C 46 58.956 58.956 59.234 -0.278 19045 11113 1 15 . 1 1 46 46 GLU CB C 46 29.166 29.166 28.830 0.336 19045 11114 1 15 . 1 1 46 46 GLU H H 46 7.781 7.781 7.851 -0.070 19045 11115 1 15 . 1 1 47 47 GLN N N 47 118.282 118.282 117.084 1.198 19045 11116 1 15 . 1 1 47 47 GLN HA H 47 3.800 3.800 4.176 -0.376 19045 11117 1 15 . 1 1 47 47 GLN CA C 47 57.892 57.892 58.092 -0.200 19045 11118 1 15 . 1 1 47 47 GLN CB C 47 28.662 28.662 28.323 0.339 19045 11119 1 15 . 1 1 47 47 GLN H H 47 7.775 7.775 7.847 -0.072 19045 11120 1 15 . 1 1 48 48 GLU N N 48 118.519 118.519 117.712 0.807 19045 11121 1 15 . 1 1 48 48 GLU HA H 48 4.009 4.009 4.107 -0.098 19045 11122 1 15 . 1 1 48 48 GLU CA C 48 57.586 57.586 58.347 -0.761 19045 11123 1 15 . 1 1 48 48 GLU CB C 48 28.922 28.922 29.823 -0.901 19045 11124 1 15 . 1 1 48 48 GLU H H 48 7.721 7.721 7.834 -0.113 19045 11125 1 15 . 1 1 49 49 ALA N N 49 121.657 121.657 121.704 -0.047 19045 11126 1 15 . 1 1 49 49 ALA HA H 49 4.140 4.140 4.217 -0.077 19045 11127 1 15 . 1 1 49 49 ALA CA C 49 53.389 53.389 53.647 -0.258 19045 11128 1 15 . 1 1 49 49 ALA CB C 49 19.111 19.111 19.446 -0.335 19045 11129 1 15 . 1 1 49 49 ALA H H 49 7.675 7.675 7.759 -0.084 19045 11130 1 15 . 1 1 50 50 GLU N N 50 116.803 116.803 114.460 2.343 19045 11131 1 15 . 1 1 50 50 GLU HA H 50 4.182 4.182 4.554 -0.372 19045 11132 1 15 . 1 1 50 50 GLU CA C 50 56.420 56.420 54.937 1.483 19045 11133 1 15 . 1 1 50 50 GLU CB C 50 29.798 29.798 33.252 -3.454 19045 11134 1 15 . 1 1 50 50 GLU H H 50 8.106 8.106 8.436 -0.330 19045 11135 1 15 . 1 1 51 51 GLY N N 51 109.812 109.812 107.324 2.488 19045 11136 1 15 . 1 1 51 51 GLY CA C 51 45.739 45.739 45.169 0.570 19045 11137 1 15 . 1 1 51 51 GLY H H 51 8.060 8.060 8.587 -0.527 19045 11138 1 15 . 1 1 52 52 VAL N N 52 118.668 118.668 116.187 2.481 19045 11139 1 15 . 1 1 52 52 VAL HA H 52 4.001 4.001 4.352 -0.351 19045 11140 1 15 . 1 1 52 52 VAL CA C 52 62.175 62.175 60.721 1.454 19045 11141 1 15 . 1 1 52 52 VAL CB C 52 32.294 32.294 32.913 -0.620 19045 11142 1 15 . 1 1 52 52 VAL H H 52 7.718 7.718 7.363 0.355 19045 11143 1 15 . 1 1 53 53 ALA N N 53 125.624 125.624 125.499 0.125 19045 11144 1 15 . 1 1 53 53 ALA HA H 53 4.220 4.220 4.139 0.081 19045 11145 1 15 . 1 1 53 53 ALA CA C 53 51.869 51.869 52.465 -0.596 19045 11146 1 15 . 1 1 53 53 ALA CB C 53 19.065 19.065 17.749 1.316 19045 11147 1 15 . 1 1 53 53 ALA H H 53 8.073 8.073 8.572 -0.499 19045 11148 1 15 . 1 1 54 54 ALA N N 54 123.638 123.638 122.596 1.042 19045 11149 1 15 . 1 1 54 54 ALA HA H 54 4.472 4.472 4.616 -0.144 19045 11150 1 15 . 1 1 54 54 ALA CA C 54 49.869 49.869 50.757 -0.888 19045 11151 1 15 . 1 1 54 54 ALA CB C 54 18.488 18.488 19.125 -0.637 19045 11152 1 15 . 1 1 54 54 ALA H H 54 7.718 7.718 8.020 -0.302 19045 11153 1 15 . 1 1 55 55 PRO HA H 55 4.292 4.292 4.579 -0.287 19045 11154 1 15 . 1 1 55 55 PRO CA C 55 62.966 62.966 63.059 -0.093 19045 11155 1 15 . 1 1 55 55 PRO CB C 55 31.754 31.754 32.345 -0.591 19045 11156 1 15 . 1 1 56 56 ALA N N 56 124.218 124.218 124.581 -0.363 19045 11157 1 15 . 1 1 56 56 ALA HA H 56 4.220 4.220 4.316 -0.096 19045 11158 1 15 . 1 1 56 56 ALA CB C 56 19.119 19.119 19.521 -0.402 19045 11159 1 15 . 1 1 56 56 ALA H H 56 8.259 8.259 8.575 -0.316 19045 11160 1 15 . 1 1 57 57 ASP N N 57 120.884 120.884 120.019 0.865 19045 11161 1 15 . 1 1 57 57 ASP HA H 57 4.572 4.572 4.553 0.019 19045 11162 1 15 . 1 1 57 57 ASP CA C 57 52.742 52.742 54.108 -1.366 19045 11163 1 15 . 1 1 57 57 ASP CB C 57 41.642 41.642 39.898 1.744 19045 11164 1 15 . 1 1 57 57 ASP H H 57 7.829 7.829 8.629 -0.800 19045 11165 1 15 . 1 1 58 58 PRO HA H 58 4.052 4.052 4.369 -0.317 19045 11166 1 15 . 1 1 58 58 PRO CA C 58 64.128 64.128 63.263 0.865 19045 11167 1 15 . 1 1 58 58 PRO CB C 58 31.989 31.989 31.044 0.945 19045 11168 1 15 . 1 1 59 59 GLU HA H 59 4.549 4.549 4.651 -0.102 19045 11169 1 15 . 1 1 59 59 GLU CA C 59 54.266 54.266 54.734 -0.468 19045 11170 1 15 . 1 1 59 59 GLU CB C 59 29.285 29.285 32.820 -3.535 19045 11171 1 15 . 1 1 60 60 MET HA H 60 3.846 3.846 4.267 -0.421 19045 11172 1 15 . 1 1 60 60 MET CA C 60 57.219 57.219 58.214 -0.994 19045 11173 1 15 . 1 1 60 60 MET CB C 60 31.894 31.894 32.069 -0.175 19045 11174 1 15 . 1 1 60 60 MET H H 60 7.070 7.070 8.674 -1.604 19045 11175 1 15 . 1 1 61 61 VAL N N 61 113.014 113.014 118.165 -5.151 19045 11176 1 15 . 1 1 61 61 VAL HA H 61 4.051 4.051 3.981 0.070 19045 11177 1 15 . 1 1 61 61 VAL CA C 61 62.799 62.799 62.918 -0.119 19045 11178 1 15 . 1 1 61 61 VAL CB C 61 31.993 31.993 31.742 0.251 19045 11179 1 15 . 1 1 61 61 VAL H H 61 6.833 6.833 8.210 -1.377 19045 11180 1 15 . 1 1 62 62 THR N N 62 110.188 110.188 113.379 -3.191 19045 11181 1 15 . 1 1 62 62 THR HA H 62 4.230 4.230 3.860 0.370 19045 11182 1 15 . 1 1 62 62 THR CA C 62 60.947 60.947 63.432 -2.486 19045 11183 1 15 . 1 1 62 62 THR CB C 62 69.192 69.192 68.139 1.053 19045 11184 1 15 . 1 1 62 62 THR H H 62 7.101 7.101 7.528 -0.427 19045 11185 1 15 . 1 1 63 63 LEU N N 63 125.158 125.158 123.204 1.954 19045 11186 1 15 . 1 1 63 63 LEU HA H 63 4.205 4.205 4.653 -0.448 19045 11187 1 15 . 1 1 63 63 LEU CA C 63 52.688 52.688 51.679 1.009 19045 11188 1 15 . 1 1 63 63 LEU CB C 63 42.252 42.252 43.015 -0.763 19045 11189 1 15 . 1 1 63 63 LEU H H 63 7.079 7.079 8.443 -1.364 19045 11190 1 15 . 1 1 64 64 PRO HA H 64 4.282 4.282 4.362 -0.080 19045 11191 1 15 . 1 1 64 64 PRO CA C 64 62.613 62.613 62.447 0.166 19045 11192 1 15 . 1 1 64 64 PRO CB C 64 30.705 30.705 30.237 0.468 19045 11193 1 15 . 1 1 65 65 LEU N N 65 122.384 122.384 123.637 -1.253 19045 11194 1 15 . 1 1 65 65 LEU HA H 65 4.234 4.234 4.268 -0.034 19045 11195 1 15 . 1 1 65 65 LEU CA C 65 54.499 54.499 55.096 -0.597 19045 11196 1 15 . 1 1 65 65 LEU CB C 65 43.438 43.438 43.310 0.128 19045 11197 1 15 . 1 1 65 65 LEU H H 65 7.653 7.653 7.634 0.019 19045 11198 1 15 . 1 1 66 66 GLN N N 66 121.802 121.802 122.496 -0.694 19045 11199 1 15 . 1 1 66 66 GLN HA H 66 4.209 4.209 4.789 -0.580 19045 11200 1 15 . 1 1 66 66 GLN CA C 66 52.783 52.783 52.585 0.198 19045 11201 1 15 . 1 1 66 66 GLN CB C 66 28.136 28.136 28.796 -0.660 19045 11202 1 15 . 1 1 66 66 GLN H H 66 8.634 8.634 8.732 -0.098 19045 11203 1 15 . 1 1 67 67 PRO HA H 67 4.139 4.139 4.503 -0.364 19045 11204 1 15 . 1 1 67 67 PRO CA C 67 64.488 64.488 63.769 0.719 19045 11205 1 15 . 1 1 67 67 PRO CB C 67 32.003 32.003 32.001 0.002 19045 11206 1 15 . 1 1 68 68 SER N N 68 111.024 111.024 112.235 -1.211 19045 11207 1 15 . 1 1 68 68 SER HA H 68 4.313 4.313 4.553 -0.240 19045 11208 1 15 . 1 1 68 68 SER CA C 68 57.991 57.991 58.005 -0.014 19045 11209 1 15 . 1 1 68 68 SER CB C 68 63.252 63.252 63.444 -0.192 19045 11210 1 15 . 1 1 68 68 SER H H 68 8.119 8.119 8.117 0.002 19045 11211 1 15 . 1 1 69 69 SER N N 69 117.598 117.598 117.548 0.050 19045 11212 1 15 . 1 1 69 69 SER HA H 69 4.440 4.440 4.789 -0.349 19045 11213 1 15 . 1 1 69 69 SER CA C 69 57.518 57.518 57.161 0.357 19045 11214 1 15 . 1 1 69 69 SER CB C 69 64.587 64.587 65.261 -0.674 19045 11215 1 15 . 1 1 69 69 SER H H 69 7.723 7.723 7.638 0.085 19045 11216 1 15 . 1 1 70 70 THR N N 70 121.887 121.887 117.545 4.342 19045 11217 1 15 . 1 1 70 70 THR HA H 70 3.873 3.873 4.119 -0.246 19045 11218 1 15 . 1 1 70 70 THR CA C 70 66.723 66.723 65.617 1.106 19045 11219 1 15 . 1 1 70 70 THR CB C 70 68.385 68.385 68.587 -0.202 19045 11220 1 15 . 1 1 70 70 THR H H 70 8.827 8.827 8.635 0.192 19045 11221 1 15 . 1 1 71 71 MET N N 71 117.344 117.344 118.728 -1.384 19045 11222 1 15 . 1 1 71 71 MET HA H 71 4.469 4.469 4.205 0.264 19045 11223 1 15 . 1 1 71 71 MET CA C 71 56.260 56.260 58.018 -1.758 19045 11224 1 15 . 1 1 71 71 MET CB C 71 31.696 31.696 31.062 0.634 19045 11225 1 15 . 1 1 71 71 MET H H 71 8.454 8.454 8.318 0.136 19045 11226 1 15 . 1 1 72 72 GLY N N 72 108.884 108.884 103.475 5.409 19045 11227 1 15 . 1 1 72 72 GLY CA C 72 46.884 46.884 46.415 0.469 19045 11228 1 15 . 1 1 72 72 GLY H H 72 7.979 7.979 8.087 -0.108 19045 11229 1 15 . 1 1 73 73 GLN N N 73 121.522 121.522 120.472 1.050 19045 11230 1 15 . 1 1 73 73 GLN HA H 73 3.857 3.857 4.289 -0.432 19045 11231 1 15 . 1 1 73 73 GLN CA C 73 58.220 58.220 57.852 0.368 19045 11232 1 15 . 1 1 73 73 GLN CB C 73 28.309 28.309 28.759 -0.450 19045 11233 1 15 . 1 1 73 73 GLN H H 73 7.859 7.859 7.689 0.170 19045 11234 1 15 . 1 1 74 74 VAL N N 74 121.291 121.291 120.811 0.480 19045 11235 1 15 . 1 1 74 74 VAL HA H 74 3.359 3.359 3.599 -0.240 19045 11236 1 15 . 1 1 74 74 VAL CA C 74 67.150 67.150 67.257 -0.106 19045 11237 1 15 . 1 1 74 74 VAL CB C 74 31.249 31.249 31.190 0.059 19045 11238 1 15 . 1 1 74 74 VAL H H 74 8.155 8.155 7.777 0.378 19045 11239 1 15 . 1 1 75 75 GLY N N 75 105.037 105.037 105.662 -0.625 19045 11240 1 15 . 1 1 75 75 GLY CA C 75 48.385 48.385 47.175 1.210 19045 11241 1 15 . 1 1 75 75 GLY H H 75 8.154 8.154 7.774 0.380 19045 11242 1 15 . 1 1 76 76 ARG N N 76 119.292 119.292 121.377 -2.085 19045 11243 1 15 . 1 1 76 76 ARG HA H 76 3.320 3.320 4.110 -0.790 19045 11244 1 15 . 1 1 76 76 ARG CA C 76 59.540 59.540 59.550 -0.010 19045 11245 1 15 . 1 1 76 76 ARG CB C 76 30.130 30.130 30.226 -0.096 19045 11246 1 15 . 1 1 76 76 ARG H H 76 7.512 7.512 7.576 -0.064 19045 11247 1 15 . 1 1 77 77 GLN N N 77 118.008 118.008 118.905 -0.897 19045 11248 1 15 . 1 1 77 77 GLN HA H 77 3.951 3.951 4.124 -0.173 19045 11249 1 15 . 1 1 77 77 GLN CA C 77 58.337 58.337 58.631 -0.294 19045 11250 1 15 . 1 1 77 77 GLN CB C 77 27.512 27.512 28.171 -0.659 19045 11251 1 15 . 1 1 77 77 GLN H H 77 7.852 7.852 7.613 0.239 19045 11252 1 15 . 1 1 78 78 LEU N N 78 116.018 116.018 119.804 -3.786 19045 11253 1 15 . 1 1 78 78 LEU HA H 78 4.078 4.078 3.933 0.145 19045 11254 1 15 . 1 1 78 78 LEU CA C 78 57.391 57.391 58.150 -0.759 19045 11255 1 15 . 1 1 78 78 LEU CB C 78 40.999 40.999 41.560 -0.561 19045 11256 1 15 . 1 1 78 78 LEU H H 78 8.412 8.412 8.480 -0.068 19045 11257 1 15 . 1 1 79 79 ALA N N 79 120.914 120.914 119.889 1.025 19045 11258 1 15 . 1 1 79 79 ALA HA H 79 3.896 3.896 4.228 -0.332 19045 11259 1 15 . 1 1 79 79 ALA CA C 79 54.789 54.789 54.986 -0.197 19045 11260 1 15 . 1 1 79 79 ALA CB C 79 17.880 17.880 18.399 -0.519 19045 11261 1 15 . 1 1 79 79 ALA H H 79 7.789 7.789 8.323 -0.534 19045 11262 1 15 . 1 1 80 80 ILE N N 80 117.984 117.984 117.786 0.198 19045 11263 1 15 . 1 1 80 80 ILE HA H 80 3.895 3.895 3.826 0.069 19045 11264 1 15 . 1 1 80 80 ILE CA C 80 63.576 63.576 64.563 -0.987 19045 11265 1 15 . 1 1 80 80 ILE CB C 80 38.607 38.607 38.424 0.183 19045 11266 1 15 . 1 1 80 80 ILE H H 80 7.690 7.690 7.553 0.137 19045 11267 1 15 . 1 1 81 81 ILE HA H 81 3.984 3.984 3.965 0.019 19045 11268 1 15 . 1 1 81 81 ILE CA C 81 63.608 63.608 63.893 -0.285 19045 11269 1 15 . 1 1 81 81 ILE CB C 81 37.587 37.587 37.437 0.150 19045 11270 1 15 . 1 1 81 81 ILE H H 81 7.910 7.910 8.165 -0.255 19045 11271 1 15 . 1 1 82 82 GLY CA C 82 45.566 45.566 44.466 1.100 19045 11272 1 15 . 1 1 82 82 GLY H H 82 7.765 7.765 8.309 -0.544 19045 11273 1 15 . 1 1 83 83 ASP N N 83 119.914 119.914 122.602 -2.688 19045 11274 1 15 . 1 1 83 83 ASP HA H 83 4.332 4.332 4.398 -0.066 19045 11275 1 15 . 1 1 83 83 ASP CA C 83 58.161 58.161 57.769 0.392 19045 11276 1 15 . 1 1 83 83 ASP CB C 83 41.771 41.771 41.299 0.472 19045 11277 1 15 . 1 1 83 83 ASP H H 83 7.400 7.400 7.862 -0.462 19045 11278 1 15 . 1 1 84 84 ASP N N 84 116.566 116.566 119.627 -3.061 19045 11279 1 15 . 1 1 84 84 ASP HA H 84 4.200 4.200 4.409 -0.209 19045 11280 1 15 . 1 1 84 84 ASP CA C 84 57.270 57.270 57.422 -0.152 19045 11281 1 15 . 1 1 84 84 ASP CB C 84 40.593 40.593 40.477 0.116 19045 11282 1 15 . 1 1 84 84 ASP H H 84 8.523 8.523 8.427 0.096 19045 11283 1 15 . 1 1 85 85 ILE N N 85 120.454 120.454 119.693 0.761 19045 11284 1 15 . 1 1 85 85 ILE HA H 85 3.753 3.753 3.894 -0.141 19045 11285 1 15 . 1 1 85 85 ILE CA C 85 63.782 63.782 64.839 -1.057 19045 11286 1 15 . 1 1 85 85 ILE CB C 85 37.546 37.546 37.359 0.187 19045 11287 1 15 . 1 1 85 85 ILE H H 85 7.707 7.707 7.988 -0.281 19045 11288 1 15 . 1 1 86 86 ASN N N 86 118.583 118.583 118.252 0.331 19045 11289 1 15 . 1 1 86 86 ASN HA H 86 4.472 4.472 4.497 -0.025 19045 11290 1 15 . 1 1 86 86 ASN CA C 86 56.087 56.087 56.151 -0.064 19045 11291 1 15 . 1 1 86 86 ASN CB C 86 37.614 37.614 38.925 -1.312 19045 11292 1 15 . 1 1 86 86 ASN H H 86 8.440 8.440 8.275 0.165 19045 11293 1 15 . 1 1 87 87 ARG N N 87 117.819 117.819 117.685 0.134 19045 11294 1 15 . 1 1 87 87 ARG HA H 87 4.043 4.043 4.114 -0.071 19045 11295 1 15 . 1 1 87 87 ARG CA C 87 59.035 59.035 58.520 0.515 19045 11296 1 15 . 1 1 87 87 ARG CB C 87 29.845 29.845 29.975 -0.130 19045 11297 1 15 . 1 1 87 87 ARG H H 87 8.214 8.214 8.119 0.095 19045 11298 1 15 . 1 1 88 88 ARG N N 88 117.971 117.971 119.883 -1.912 19045 11299 1 15 . 1 1 88 88 ARG HA H 88 3.965 3.965 3.960 0.005 19045 11300 1 15 . 1 1 88 88 ARG CA C 88 58.161 58.161 59.349 -1.188 19045 11301 1 15 . 1 1 88 88 ARG CB C 88 30.376 30.376 30.612 -0.236 19045 11302 1 15 . 1 1 88 88 ARG H H 88 7.438 7.438 7.914 -0.476 19045 11303 1 15 . 1 1 89 89 TYR N N 89 114.591 114.591 112.977 1.614 19045 11304 1 15 . 1 1 89 89 TYR HA H 89 4.753 4.753 5.062 -0.309 19045 11305 1 15 . 1 1 89 89 TYR CA C 89 59.481 59.481 57.158 2.322 19045 11306 1 15 . 1 1 89 89 TYR CB C 89 39.610 39.610 37.045 2.565 19045 11307 1 15 . 1 1 89 89 TYR H H 89 7.635 7.635 8.186 -0.551 19045 11308 1 15 . 1 1 90 90 ASP HA H 90 4.820 4.820 4.620 0.200 19045 11309 1 15 . 1 1 90 90 ASP CA C 90 58.200 58.200 56.883 1.317 19045 11310 1 15 . 1 1 90 90 ASP CB C 90 41.407 41.407 41.491 -0.084 19045 11311 1 15 . 1 1 90 90 ASP H H 90 8.282 8.282 7.519 0.763 19045 11312 1 15 . 1 1 91 91 SER N N 91 115.266 115.266 116.210 -0.944 19045 11313 1 15 . 1 1 91 91 SER HA H 91 4.170 4.170 4.168 0.002 19045 11314 1 15 . 1 1 91 91 SER CA C 91 61.780 61.780 62.257 -0.477 19045 11315 1 15 . 1 1 91 91 SER CB C 91 61.891 61.891 63.052 -1.161 19045 11316 1 15 . 1 1 91 91 SER H H 91 8.717 8.717 8.281 0.436 19045 11317 1 15 . 1 1 92 92 GLU N N 92 122.093 122.093 121.378 0.715 19045 11318 1 15 . 1 1 92 92 GLU HA H 92 4.056 4.056 4.048 0.008 19045 11319 1 15 . 1 1 92 92 GLU CA C 92 58.928 58.928 58.902 0.026 19045 11320 1 15 . 1 1 92 92 GLU CB C 92 29.796 29.796 29.392 0.404 19045 11321 1 15 . 1 1 92 92 GLU H H 92 8.025 8.025 8.871 -0.846 19045 11322 1 15 . 1 1 93 93 PHE HA H 93 4.171 4.171 4.479 -0.308 19045 11323 1 15 . 1 1 93 93 PHE CA C 93 60.704 60.704 60.280 0.424 19045 11324 1 15 . 1 1 93 93 PHE CB C 93 38.780 38.780 40.059 -1.280 19045 11325 1 15 . 1 1 93 93 PHE H H 93 7.801 7.801 7.531 0.270 19045 11326 1 15 . 1 1 94 94 GLN N N 94 118.578 118.578 120.455 -1.877 19045 11327 1 15 . 1 1 94 94 GLN HA H 94 3.847 3.847 3.955 -0.108 19045 11328 1 15 . 1 1 94 94 GLN CA C 94 59.981 59.981 59.482 0.499 19045 11329 1 15 . 1 1 94 94 GLN CB C 94 28.415 28.415 28.849 -0.434 19045 11330 1 15 . 1 1 94 94 GLN H H 94 8.609 8.609 8.794 -0.185 19045 11331 1 15 . 1 1 95 95 THR N N 95 116.128 116.128 116.386 -0.258 19045 11332 1 15 . 1 1 95 95 THR HA H 95 3.811 3.811 3.976 -0.165 19045 11333 1 15 . 1 1 95 95 THR CA C 95 66.391 66.391 66.829 -0.438 19045 11334 1 15 . 1 1 95 95 THR CB C 95 68.361 68.361 68.710 -0.349 19045 11335 1 15 . 1 1 95 95 THR H H 95 7.826 7.826 8.627 -0.801 19045 11336 1 15 . 1 1 96 96 MET N N 96 120.474 120.474 117.592 2.882 19045 11337 1 15 . 1 1 96 96 MET HA H 96 3.933 3.933 3.813 0.120 19045 11338 1 15 . 1 1 96 96 MET CA C 96 59.949 59.949 57.903 2.046 19045 11339 1 15 . 1 1 96 96 MET CB C 96 33.087 33.087 31.944 1.143 19045 11340 1 15 . 1 1 96 96 MET H H 96 7.728 7.728 7.263 0.465 19045 11341 1 15 . 1 1 97 97 LEU N N 97 118.904 118.904 120.556 -1.652 19045 11342 1 15 . 1 1 97 97 LEU HA H 97 3.604 3.604 3.730 -0.126 19045 11343 1 15 . 1 1 97 97 LEU CA C 97 57.771 57.771 57.638 0.133 19045 11344 1 15 . 1 1 97 97 LEU CB C 97 40.836 40.836 40.434 0.402 19045 11345 1 15 . 1 1 97 97 LEU H H 97 8.112 8.112 7.663 0.449 19045 11346 1 15 . 1 1 98 98 GLN N N 98 116.798 116.798 116.104 0.694 19045 11347 1 15 . 1 1 98 98 GLN HA H 98 4.003 4.003 4.133 -0.130 19045 11348 1 15 . 1 1 98 98 GLN CA C 98 58.337 58.337 58.224 0.113 19045 11349 1 15 . 1 1 98 98 GLN CB C 98 27.659 27.659 28.780 -1.121 19045 11350 1 15 . 1 1 98 98 GLN H H 98 7.754 7.754 7.945 -0.191 19045 11351 1 15 . 1 1 99 99 HIS N N 99 115.943 115.943 116.540 -0.597 19045 11352 1 15 . 1 1 99 99 HIS HA H 99 4.442 4.442 4.403 0.039 19045 11353 1 15 . 1 1 99 99 HIS CA C 99 57.025 57.025 57.302 -0.277 19045 11354 1 15 . 1 1 99 99 HIS CB C 99 28.848 28.848 29.987 -1.139 19045 11355 1 15 . 1 1 99 99 HIS H H 99 7.504 7.504 7.822 -0.318 19045 11356 1 15 . 1 1 100 100 LEU N N 100 121.347 121.347 119.767 1.580 19045 11357 1 15 . 1 1 100 100 LEU HA H 100 3.803 3.803 3.989 -0.186 19045 11358 1 15 . 1 1 100 100 LEU CA C 100 56.801 56.801 56.711 0.090 19045 11359 1 15 . 1 1 100 100 LEU CB C 100 42.563 42.563 42.421 0.142 19045 11360 1 15 . 1 1 100 100 LEU H H 100 8.013 8.013 7.301 0.712 19045 11361 1 15 . 1 1 101 101 GLN N N 101 110.029 110.029 114.291 -4.262 19045 11362 1 15 . 1 1 101 101 GLN HA H 101 4.003 4.003 4.094 -0.091 19045 11363 1 15 . 1 1 101 101 GLN CA C 101 55.685 55.685 55.408 0.277 19045 11364 1 15 . 1 1 101 101 GLN CB C 101 27.301 27.301 26.412 0.889 19045 11365 1 15 . 1 1 101 101 GLN H H 101 7.763 7.763 7.843 -0.080 19045 11366 1 15 . 1 1 102 102 PRO HA H 102 4.926 4.926 4.151 0.775 19045 11367 1 15 . 1 1 102 102 PRO CA C 102 62.372 62.372 62.922 -0.550 19045 11368 1 15 . 1 1 102 102 PRO CB C 102 31.963 31.963 32.248 -0.285 19045 11369 1 15 . 1 1 103 103 THR N N 103 114.119 114.119 106.047 8.072 19045 11370 1 15 . 1 1 103 103 THR HA H 103 4.420 4.420 4.550 -0.130 19045 11371 1 15 . 1 1 103 103 THR CA C 103 58.716 58.716 60.051 -1.335 19045 11372 1 15 . 1 1 103 103 THR CB C 103 72.929 72.929 71.465 1.464 19045 11373 1 15 . 1 1 103 103 THR H H 103 9.386 9.386 7.838 1.548 19045 11374 1 15 . 1 1 104 104 ALA N N 104 120.374 120.374 121.425 -1.051 19045 11375 1 15 . 1 1 104 104 ALA HA H 104 3.737 3.737 4.740 -1.003 19045 11376 1 15 . 1 1 104 104 ALA CA C 104 54.782 54.782 54.271 0.511 19045 11377 1 15 . 1 1 104 104 ALA CB C 104 18.050 18.050 18.663 -0.613 19045 11378 1 15 . 1 1 104 104 ALA H H 104 8.723 8.723 8.521 0.202 19045 11379 1 15 . 1 1 105 105 GLU N N 105 113.834 113.834 116.107 -2.273 19045 11380 1 15 . 1 1 105 105 GLU HA H 105 4.122 4.122 4.318 -0.196 19045 11381 1 15 . 1 1 105 105 GLU CA C 105 58.707 58.707 58.658 0.049 19045 11382 1 15 . 1 1 105 105 GLU CB C 105 29.445 29.445 29.400 0.045 19045 11383 1 15 . 1 1 105 105 GLU H H 105 7.969 7.969 8.509 -0.540 19045 11384 1 15 . 1 1 106 106 ASN N N 106 114.135 114.135 117.472 -3.337 19045 11385 1 15 . 1 1 106 106 ASN HA H 106 4.781 4.781 4.397 0.384 19045 11386 1 15 . 1 1 106 106 ASN CA C 106 52.222 52.222 52.694 -0.471 19045 11387 1 15 . 1 1 106 106 ASN CB C 106 38.983 38.983 38.965 0.018 19045 11388 1 15 . 1 1 106 106 ASN H H 106 7.151 7.151 7.883 -0.732 19045 11389 1 15 . 1 1 107 107 ALA N N 107 121.280 121.280 122.832 -1.552 19045 11390 1 15 . 1 1 107 107 ALA HA H 107 3.858 3.858 4.242 -0.384 19045 11391 1 15 . 1 1 107 107 ALA CA C 107 56.988 56.988 55.609 1.379 19045 11392 1 15 . 1 1 107 107 ALA CB C 107 18.278 18.278 18.855 -0.577 19045 11393 1 15 . 1 1 107 107 ALA H H 107 7.940 7.940 8.028 -0.088 19045 11394 1 15 . 1 1 108 108 TYR N N 108 117.339 117.339 115.415 1.924 19045 11395 1 15 . 1 1 108 108 TYR HA H 108 3.048 3.048 3.924 -0.876 19045 11396 1 15 . 1 1 108 108 TYR CA C 108 60.578 60.578 59.735 0.843 19045 11397 1 15 . 1 1 108 108 TYR CB C 108 36.804 36.804 36.517 0.288 19045 11398 1 15 . 1 1 108 108 TYR H H 108 8.783 8.783 7.664 1.119 19045 11399 1 15 . 1 1 109 109 GLU N N 109 123.316 123.316 121.309 2.007 19045 11400 1 15 . 1 1 109 109 GLU HA H 109 3.681 3.681 3.786 -0.105 19045 11401 1 15 . 1 1 109 109 GLU CA C 109 59.152 59.152 58.598 0.554 19045 11402 1 15 . 1 1 109 109 GLU CB C 109 28.782 28.782 28.530 0.251 19045 11403 1 15 . 1 1 109 109 GLU H H 109 8.084 8.084 7.505 0.579 19045 11404 1 15 . 1 1 110 110 TYR N N 110 117.254 117.254 118.105 -0.851 19045 11405 1 15 . 1 1 110 110 TYR HA H 110 4.339 4.339 4.284 0.055 19045 11406 1 15 . 1 1 110 110 TYR CA C 110 58.527 58.527 60.946 -2.419 19045 11407 1 15 . 1 1 110 110 TYR CB C 110 36.323 36.323 38.529 -2.206 19045 11408 1 15 . 1 1 110 110 TYR H H 110 8.282 8.282 7.882 0.400 19045 11409 1 15 . 1 1 111 111 PHE N N 111 119.028 119.028 120.780 -1.752 19045 11410 1 15 . 1 1 111 111 PHE HA H 111 3.889 3.889 4.194 -0.305 19045 11411 1 15 . 1 1 111 111 PHE CA C 111 62.350 62.350 61.385 0.965 19045 11412 1 15 . 1 1 111 111 PHE CB C 111 39.369 39.369 39.158 0.211 19045 11413 1 15 . 1 1 111 111 PHE H H 111 9.197 9.197 8.652 0.545 19045 11414 1 15 . 1 1 112 112 THR N N 112 113.669 113.669 112.608 1.061 19045 11415 1 15 . 1 1 112 112 THR HA H 112 3.411 3.411 3.285 0.126 19045 11416 1 15 . 1 1 112 112 THR CA C 112 67.185 67.185 66.186 0.999 19045 11417 1 15 . 1 1 112 112 THR CB C 112 68.294 68.294 68.043 0.251 19045 11418 1 15 . 1 1 112 112 THR H H 112 8.315 8.315 8.493 -0.178 19045 11419 1 15 . 1 1 113 113 LYS N N 113 124.090 124.090 121.735 2.355 19045 11420 1 15 . 1 1 113 113 LYS HA H 113 3.854 3.854 4.078 -0.224 19045 11421 1 15 . 1 1 113 113 LYS CA C 113 60.416 60.416 58.656 1.760 19045 11422 1 15 . 1 1 113 113 LYS CB C 113 33.219 33.219 31.999 1.220 19045 11423 1 15 . 1 1 113 113 LYS H H 113 8.335 8.335 7.432 0.903 19045 11424 1 15 . 1 1 114 114 ILE N N 114 120.457 120.457 119.725 0.732 19045 11425 1 15 . 1 1 114 114 ILE HA H 114 3.145 3.145 3.680 -0.535 19045 11426 1 15 . 1 1 114 114 ILE CA C 114 65.550 65.550 63.183 2.367 19045 11427 1 15 . 1 1 114 114 ILE CB C 114 37.402 37.402 36.274 1.128 19045 11428 1 15 . 1 1 114 114 ILE H H 114 8.042 8.042 7.771 0.271 19045 11429 1 15 . 1 1 115 115 ALA N N 115 121.066 121.066 121.959 -0.893 19045 11430 1 15 . 1 1 115 115 ALA HA H 115 3.219 3.219 3.970 -0.751 19045 11431 1 15 . 1 1 115 115 ALA CA C 115 54.940 54.940 55.518 -0.578 19045 11432 1 15 . 1 1 115 115 ALA CB C 115 16.345 16.345 17.450 -1.105 19045 11433 1 15 . 1 1 115 115 ALA H H 115 8.208 8.208 8.035 0.173 19045 11434 1 15 . 1 1 116 116 THR N N 116 112.803 112.803 115.911 -3.108 19045 11435 1 15 . 1 1 116 116 THR HA H 116 3.808 3.808 4.280 -0.472 19045 11436 1 15 . 1 1 116 116 THR CA C 116 67.557 67.557 66.126 1.431 19045 11437 1 15 . 1 1 116 116 THR CB C 116 68.431 68.431 68.619 -0.188 19045 11438 1 15 . 1 1 116 116 THR H H 116 7.893 7.893 7.803 0.090 19045 11439 1 15 . 1 1 117 117 SER N N 117 115.935 115.935 116.326 -0.391 19045 11440 1 15 . 1 1 117 117 SER HA H 117 4.070 4.070 4.442 -0.372 19045 11441 1 15 . 1 1 117 117 SER CA C 117 61.879 61.879 61.370 0.509 19045 11442 1 15 . 1 1 117 117 SER CB C 117 62.907 62.907 63.111 -0.204 19045 11443 1 15 . 1 1 117 117 SER H H 117 7.139 7.139 7.926 -0.787 19045 11444 1 15 . 1 1 118 118 LEU N N 118 123.462 123.462 124.854 -1.392 19045 11445 1 15 . 1 1 118 118 LEU HA H 118 3.596 3.596 3.920 -0.324 19045 11446 1 15 . 1 1 118 118 LEU CA C 118 58.014 58.014 57.401 0.613 19045 11447 1 15 . 1 1 118 118 LEU CB C 118 41.687 41.687 41.871 -0.184 19045 11448 1 15 . 1 1 118 118 LEU H H 118 7.844 7.844 7.792 0.052 19045 11449 1 15 . 1 1 119 119 PHE N N 119 110.270 110.270 113.752 -3.482 19045 11450 1 15 . 1 1 119 119 PHE HA H 119 4.721 4.721 4.801 -0.080 19045 11451 1 15 . 1 1 119 119 PHE CA C 119 58.698 58.698 57.812 0.886 19045 11452 1 15 . 1 1 119 119 PHE CB C 119 38.838 38.838 38.061 0.777 19045 11453 1 15 . 1 1 119 119 PHE H H 119 6.878 6.878 8.347 -1.469 19045 11454 1 15 . 1 1 120 120 GLU N N 120 123.135 123.135 119.420 3.715 19045 11455 1 15 . 1 1 120 120 GLU HA H 120 4.016 4.016 4.155 -0.139 19045 11456 1 15 . 1 1 120 120 GLU CA C 120 59.532 59.532 58.289 1.243 19045 11457 1 15 . 1 1 120 120 GLU CB C 120 29.337 29.337 29.914 -0.577 19045 11458 1 15 . 1 1 120 120 GLU H H 120 7.551 7.551 7.669 -0.118 19045 11459 1 15 . 1 1 121 121 SER N N 121 107.983 107.983 113.435 -5.452 19045 11460 1 15 . 1 1 121 121 SER HA H 121 4.522 4.522 4.506 0.016 19045 11461 1 15 . 1 1 121 121 SER CA C 121 57.342 57.342 58.601 -1.259 19045 11462 1 15 . 1 1 121 121 SER CB C 121 63.353 63.353 64.333 -0.980 19045 11463 1 15 . 1 1 121 121 SER H H 121 7.712 7.712 7.984 -0.272 19045 11464 1 15 . 1 1 122 122 GLY N N 122 110.748 110.748 108.834 1.914 19045 11465 1 15 . 1 1 122 122 GLY CA C 122 44.419 44.419 45.151 -0.732 19045 11466 1 15 . 1 1 122 122 GLY H H 122 7.317 7.317 7.785 -0.468 19045 11467 1 15 . 1 1 123 123 ILE N N 123 117.061 117.061 119.444 -2.383 19045 11468 1 15 . 1 1 123 123 ILE HA H 123 3.724 3.724 4.301 -0.577 19045 11469 1 15 . 1 1 123 123 ILE CA C 123 61.383 61.383 60.236 1.147 19045 11470 1 15 . 1 1 123 123 ILE CB C 123 40.588 40.588 39.026 1.562 19045 11471 1 15 . 1 1 123 123 ILE H H 123 7.963 7.963 8.228 -0.265 19045 11472 1 15 . 1 1 124 124 ASN N N 124 117.915 117.915 122.276 -4.361 19045 11473 1 15 . 1 1 124 124 ASN HA H 124 4.204 4.204 4.931 -0.727 19045 11474 1 15 . 1 1 124 124 ASN CA C 124 51.886 51.886 52.286 -0.400 19045 11475 1 15 . 1 1 124 124 ASN CB C 124 39.033 39.033 41.559 -2.526 19045 11476 1 15 . 1 1 124 124 ASN H H 124 6.434 6.434 8.138 -1.704 19045 11477 1 15 . 1 1 125 125 TRP N N 125 119.673 119.673 123.470 -3.797 19045 11478 1 15 . 1 1 125 125 TRP HA H 125 4.470 4.470 4.615 -0.145 19045 11479 1 15 . 1 1 125 125 TRP CA C 125 61.257 61.257 61.033 0.224 19045 11480 1 15 . 1 1 125 125 TRP CB C 125 30.287 30.287 29.581 0.706 19045 11481 1 15 . 1 1 125 125 TRP H H 125 8.824 8.824 9.143 -0.319 19045 11482 1 15 . 1 1 126 126 GLY N N 126 107.516 107.516 106.565 0.951 19045 11483 1 15 . 1 1 126 126 GLY CA C 126 48.294 48.294 47.220 1.074 19045 11484 1 15 . 1 1 126 126 GLY H H 126 9.118 9.118 8.718 0.400 19045 11485 1 15 . 1 1 127 127 ARG N N 127 119.610 119.610 122.242 -2.632 19045 11486 1 15 . 1 1 127 127 ARG HA H 127 3.742 3.742 4.074 -0.332 19045 11487 1 15 . 1 1 127 127 ARG CA C 127 59.551 59.551 59.094 0.457 19045 11488 1 15 . 1 1 127 127 ARG CB C 127 31.163 31.163 30.036 1.127 19045 11489 1 15 . 1 1 127 127 ARG H H 127 8.616 8.616 8.142 0.474 19045 11490 1 15 . 1 1 128 128 VAL N N 128 120.289 120.289 119.345 0.944 19045 11491 1 15 . 1 1 128 128 VAL HA H 128 3.662 3.662 3.968 -0.306 19045 11492 1 15 . 1 1 128 128 VAL CA C 128 68.387 68.387 66.642 1.745 19045 11493 1 15 . 1 1 128 128 VAL CB C 128 31.127 31.127 31.365 -0.238 19045 11494 1 15 . 1 1 128 128 VAL H H 128 7.762 7.762 8.108 -0.346 19045 11495 1 15 . 1 1 129 129 VAL N N 129 119.577 119.577 119.716 -0.139 19045 11496 1 15 . 1 1 129 129 VAL HA H 129 3.449 3.449 3.624 -0.175 19045 11497 1 15 . 1 1 129 129 VAL CA C 129 67.772 67.772 66.495 1.277 19045 11498 1 15 . 1 1 129 129 VAL CB C 129 30.918 30.918 31.518 -0.601 19045 11499 1 15 . 1 1 129 129 VAL H H 129 8.433 8.433 7.638 0.795 19045 11500 1 15 . 1 1 130 130 ALA N N 130 123.330 123.330 123.458 -0.128 19045 11501 1 15 . 1 1 130 130 ALA HA H 130 4.069 4.069 4.087 -0.018 19045 11502 1 15 . 1 1 130 130 ALA CA C 130 54.978 54.978 55.283 -0.305 19045 11503 1 15 . 1 1 130 130 ALA CB C 130 17.446 17.446 18.440 -0.994 19045 11504 1 15 . 1 1 130 130 ALA H H 130 8.766 8.766 8.044 0.722 19045 11505 1 15 . 1 1 131 131 LEU N N 131 120.040 120.040 119.111 0.929 19045 11506 1 15 . 1 1 131 131 LEU HA H 131 3.961 3.961 4.567 -0.606 19045 11507 1 15 . 1 1 131 131 LEU CA C 131 58.353 58.353 58.675 -0.322 19045 11508 1 15 . 1 1 131 131 LEU CB C 131 40.750 40.750 42.393 -1.643 19045 11509 1 15 . 1 1 131 131 LEU H H 131 8.178 8.178 8.385 -0.207 19045 11510 1 15 . 1 1 132 132 LEU N N 132 119.150 119.150 117.677 1.473 19045 11511 1 15 . 1 1 132 132 LEU HA H 132 3.952 3.952 4.422 -0.470 19045 11512 1 15 . 1 1 132 132 LEU CA C 132 58.620 58.620 57.633 0.987 19045 11513 1 15 . 1 1 132 132 LEU CB C 132 38.835 38.835 40.930 -2.095 19045 11514 1 15 . 1 1 132 132 LEU H H 132 7.927 7.927 7.714 0.213 19045 11515 1 15 . 1 1 133 133 GLY N N 133 107.066 107.066 108.516 -1.450 19045 11516 1 15 . 1 1 133 133 GLY CA C 133 48.339 48.339 47.738 0.601 19045 11517 1 15 . 1 1 133 133 GLY H H 133 8.752 8.752 8.452 0.300 19045 11518 1 15 . 1 1 134 134 PHE N N 134 123.521 123.521 121.189 2.332 19045 11519 1 15 . 1 1 134 134 PHE HA H 134 4.601 4.601 4.353 0.248 19045 11520 1 15 . 1 1 134 134 PHE CA C 134 59.884 59.884 58.324 1.560 19045 11521 1 15 . 1 1 134 134 PHE CB C 134 38.622 38.622 38.077 0.545 19045 11522 1 15 . 1 1 134 134 PHE H H 134 8.606 8.606 8.459 0.147 19045 11523 1 15 . 1 1 135 135 GLY N N 135 106.412 106.412 109.291 -2.879 19045 11524 1 15 . 1 1 135 135 GLY CA C 135 47.731 47.731 47.229 0.502 19045 11525 1 15 . 1 1 135 135 GLY H H 135 8.715 8.715 7.765 0.950 19045 11526 1 15 . 1 1 136 136 TYR N N 136 121.461 121.461 123.042 -1.581 19045 11527 1 15 . 1 1 136 136 TYR HA H 136 4.116 4.116 4.350 -0.234 19045 11528 1 15 . 1 1 136 136 TYR CA C 136 61.564 61.564 59.859 1.705 19045 11529 1 15 . 1 1 136 136 TYR CB C 136 38.469 38.469 38.392 0.078 19045 11530 1 15 . 1 1 136 136 TYR H H 136 8.809 8.809 8.099 0.710 19045 11531 1 15 . 1 1 137 137 ARG N N 137 117.518 117.518 119.106 -1.588 19045 11532 1 15 . 1 1 137 137 ARG HA H 137 3.647 3.647 3.922 -0.275 19045 11533 1 15 . 1 1 137 137 ARG CA C 137 58.904 58.904 60.109 -1.205 19045 11534 1 15 . 1 1 137 137 ARG CB C 137 29.189 29.189 30.235 -1.046 19045 11535 1 15 . 1 1 137 137 ARG H H 137 8.646 8.646 7.767 0.879 19045 11536 1 15 . 1 1 138 138 LEU N N 138 121.658 121.658 120.502 1.156 19045 11537 1 15 . 1 1 138 138 LEU HA H 138 3.905 3.905 4.286 -0.381 19045 11538 1 15 . 1 1 138 138 LEU CA C 138 58.454 58.454 58.289 0.165 19045 11539 1 15 . 1 1 138 138 LEU CB C 138 41.801 41.801 41.648 0.153 19045 11540 1 15 . 1 1 138 138 LEU H H 138 9.065 9.065 8.488 0.577 19045 11541 1 15 . 1 1 139 139 ALA N N 139 120.012 120.012 121.961 -1.949 19045 11542 1 15 . 1 1 139 139 ALA HA H 139 4.004 4.004 4.392 -0.388 19045 11543 1 15 . 1 1 139 139 ALA CA C 139 55.174 55.174 55.409 -0.235 19045 11544 1 15 . 1 1 139 139 ALA CB C 139 17.943 17.943 18.499 -0.556 19045 11545 1 15 . 1 1 139 139 ALA H H 139 8.237 8.237 8.097 0.140 19045 11546 1 15 . 1 1 140 140 LEU N N 140 119.522 119.522 119.100 0.422 19045 11547 1 15 . 1 1 140 140 LEU HA H 140 4.000 4.000 4.030 -0.030 19045 11548 1 15 . 1 1 140 140 LEU CA C 140 57.805 57.805 57.832 -0.027 19045 11549 1 15 . 1 1 140 140 LEU CB C 140 42.324 42.324 41.770 0.554 19045 11550 1 15 . 1 1 140 140 LEU H H 140 8.191 8.191 8.545 -0.354 19045 11551 1 15 . 1 1 141 141 HIS N N 141 117.834 117.834 117.485 0.349 19045 11552 1 15 . 1 1 141 141 HIS HA H 141 4.183 4.183 4.381 -0.198 19045 11553 1 15 . 1 1 141 141 HIS CA C 141 60.960 60.960 60.303 0.657 19045 11554 1 15 . 1 1 141 141 HIS CB C 141 31.708 31.708 30.515 1.193 19045 11555 1 15 . 1 1 141 141 HIS H H 141 8.253 8.253 8.325 -0.072 19045 11556 1 15 . 1 1 142 142 VAL N N 142 113.700 113.700 117.674 -3.974 19045 11557 1 15 . 1 1 142 142 VAL HA H 142 3.887 3.887 3.986 -0.099 19045 11558 1 15 . 1 1 142 142 VAL CA C 142 65.948 65.948 63.410 2.538 19045 11559 1 15 . 1 1 142 142 VAL CB C 142 30.264 30.264 32.441 -2.177 19045 11560 1 15 . 1 1 142 142 VAL H H 142 8.455 8.455 7.515 0.940 19045 11561 1 15 . 1 1 143 143 TYR N N 143 123.307 123.307 120.428 2.879 19045 11562 1 15 . 1 1 143 143 TYR HA H 143 4.320 4.320 3.985 0.335 19045 11563 1 15 . 1 1 143 143 TYR CA C 143 61.934 61.934 61.215 0.719 19045 11564 1 15 . 1 1 143 143 TYR CB C 143 38.779 38.779 38.729 0.050 19045 11565 1 15 . 1 1 143 143 TYR H H 143 7.750 7.750 8.143 -0.393 19045 11566 1 15 . 1 1 144 144 GLN N N 144 118.560 118.560 116.661 1.899 19045 11567 1 15 . 1 1 144 144 GLN HA H 144 3.686 3.686 3.924 -0.238 19045 11568 1 15 . 1 1 144 144 GLN CA C 144 58.055 58.055 58.443 -0.388 19045 11569 1 15 . 1 1 144 144 GLN CB C 144 27.859 27.859 28.419 -0.560 19045 11570 1 15 . 1 1 144 144 GLN H H 144 8.486 8.486 8.271 0.215 19045 11571 1 15 . 1 1 145 145 HIS N N 145 114.312 114.312 115.564 -1.252 19045 11572 1 15 . 1 1 145 145 HIS HA H 145 4.330 4.330 4.449 -0.119 19045 11573 1 15 . 1 1 145 145 HIS CA C 145 56.178 56.178 56.880 -0.702 19045 11574 1 15 . 1 1 145 145 HIS CB C 145 27.751 27.751 31.024 -3.273 19045 11575 1 15 . 1 1 145 145 HIS H H 145 7.350 7.350 7.399 -0.049 19045 11576 1 15 . 1 1 146 146 GLY N N 146 106.537 106.537 107.378 -0.841 19045 11577 1 15 . 1 1 146 146 GLY CA C 146 45.715 45.715 44.825 0.890 19045 11578 1 15 . 1 1 146 146 GLY H H 146 7.471 7.471 7.425 0.046 19045 11579 1 15 . 1 1 147 147 LEU N N 147 123.302 123.302 123.426 -0.124 19045 11580 1 15 . 1 1 147 147 LEU HA H 147 4.496 4.496 4.688 -0.192 19045 11581 1 15 . 1 1 147 147 LEU CA C 147 54.259 54.259 53.086 1.173 19045 11582 1 15 . 1 1 147 147 LEU CB C 147 41.033 41.033 45.902 -4.869 19045 11583 1 15 . 1 1 147 147 LEU H H 147 7.933 7.933 8.135 -0.202 19045 11584 1 15 . 1 1 148 148 THR HA H 148 4.523 4.523 4.548 -0.025 19045 11585 1 15 . 1 1 148 148 THR CA C 148 61.027 61.027 62.111 -1.084 19045 11586 1 15 . 1 1 148 148 THR CB C 148 70.359 70.359 67.344 3.015 19045 11587 1 15 . 1 1 149 149 GLY CA C 149 47.016 47.016 45.267 1.749 19045 11588 1 15 . 1 1 149 149 GLY H H 149 8.458 8.458 8.014 0.444 19045 11589 1 15 . 1 1 150 150 PHE N N 150 123.408 123.408 123.785 -0.377 19045 11590 1 15 . 1 1 150 150 PHE HA H 150 4.555 4.555 4.670 -0.115 19045 11591 1 15 . 1 1 150 150 PHE CA C 150 57.964 57.964 58.463 -0.499 19045 11592 1 15 . 1 1 150 150 PHE CB C 150 42.911 42.911 40.499 2.412 19045 11593 1 15 . 1 1 150 150 PHE H H 150 9.331 9.331 8.605 0.726 19045 11594 1 15 . 1 1 151 151 LEU N N 151 123.032 123.032 120.735 2.297 19045 11595 1 15 . 1 1 151 151 LEU HA H 151 3.859 3.859 3.968 -0.109 19045 11596 1 15 . 1 1 151 151 LEU CA C 151 58.454 58.454 59.096 -0.642 19045 11597 1 15 . 1 1 151 151 LEU CB C 151 40.948 40.948 40.323 0.625 19045 11598 1 15 . 1 1 151 151 LEU H H 151 8.470 8.470 8.144 0.326 19045 11599 1 15 . 1 1 152 152 GLY N N 152 108.386 108.386 104.615 3.771 19045 11600 1 15 . 1 1 152 152 GLY CA C 152 46.676 46.676 47.114 -0.438 19045 11601 1 15 . 1 1 152 152 GLY H H 152 8.577 8.577 8.469 0.108 19045 11602 1 15 . 1 1 153 153 GLN N N 153 122.055 122.055 120.777 1.278 19045 11603 1 15 . 1 1 153 153 GLN HA H 153 3.532 3.532 3.378 0.154 19045 11604 1 15 . 1 1 153 153 GLN CA C 153 57.844 57.844 58.598 -0.754 19045 11605 1 15 . 1 1 153 153 GLN CB C 153 26.442 26.442 27.891 -1.449 19045 11606 1 15 . 1 1 153 153 GLN H H 153 7.106 7.106 7.835 -0.729 19045 11607 1 15 . 1 1 154 154 VAL N N 154 116.706 116.706 119.559 -2.853 19045 11608 1 15 . 1 1 154 154 VAL HA H 154 2.428 2.428 3.436 -1.008 19045 11609 1 15 . 1 1 154 154 VAL CA C 154 66.089 66.089 66.530 -0.441 19045 11610 1 15 . 1 1 154 154 VAL CB C 154 31.463 31.463 31.076 0.387 19045 11611 1 15 . 1 1 154 154 VAL H H 154 7.033 7.033 8.371 -1.338 19045 11612 1 15 . 1 1 155 155 THR N N 155 114.165 114.165 116.068 -1.903 19045 11613 1 15 . 1 1 155 155 THR HA H 155 3.317 3.317 3.421 -0.104 19045 11614 1 15 . 1 1 155 155 THR CA C 155 67.050 67.050 66.890 0.160 19045 11615 1 15 . 1 1 155 155 THR CB C 155 68.307 68.307 68.297 0.010 19045 11616 1 15 . 1 1 155 155 THR H H 155 7.860 7.860 7.938 -0.078 19045 11617 1 15 . 1 1 156 156 ARG N N 156 119.890 119.890 120.626 -0.736 19045 11618 1 15 . 1 1 156 156 ARG HA H 156 3.769 3.769 3.880 -0.111 19045 11619 1 15 . 1 1 156 156 ARG CA C 156 58.769 58.769 58.613 0.156 19045 11620 1 15 . 1 1 156 156 ARG CB C 156 28.693 28.693 29.258 -0.565 19045 11621 1 15 . 1 1 156 156 ARG H H 156 7.019 7.019 7.847 -0.828 19045 11622 1 15 . 1 1 157 157 PHE N N 157 118.242 118.242 118.955 -0.713 19045 11623 1 15 . 1 1 157 157 PHE HA H 157 4.426 4.426 4.436 -0.010 19045 11624 1 15 . 1 1 157 157 PHE CA C 157 56.928 56.928 59.901 -2.974 19045 11625 1 15 . 1 1 157 157 PHE CB C 157 35.794 35.794 37.757 -1.963 19045 11626 1 15 . 1 1 157 157 PHE H H 157 8.030 8.030 7.765 0.265 19045 11627 1 15 . 1 1 158 158 VAL N N 158 118.961 118.961 119.580 -0.619 19045 11628 1 15 . 1 1 158 158 VAL HA H 158 3.425 3.425 4.262 -0.837 19045 11629 1 15 . 1 1 158 158 VAL CA C 158 67.288 67.288 67.257 0.031 19045 11630 1 15 . 1 1 158 158 VAL CB C 158 31.554 31.554 31.465 0.090 19045 11631 1 15 . 1 1 158 158 VAL H H 158 7.607 7.607 8.213 -0.606 19045 11632 1 15 . 1 1 159 159 VAL N N 159 119.773 119.773 118.462 1.311 19045 11633 1 15 . 1 1 159 159 VAL HA H 159 3.358 3.358 3.496 -0.138 19045 11634 1 15 . 1 1 159 159 VAL CA C 159 67.570 67.570 65.961 1.609 19045 11635 1 15 . 1 1 159 159 VAL CB C 159 32.355 32.355 30.268 2.087 19045 11636 1 15 . 1 1 159 159 VAL H H 159 8.039 8.039 7.997 0.042 19045 11637 1 15 . 1 1 160 160 ASP N N 160 118.382 118.382 121.624 -3.242 19045 11638 1 15 . 1 1 160 160 ASP HA H 160 4.293 4.293 4.336 -0.043 19045 11639 1 15 . 1 1 160 160 ASP CA C 160 57.567 57.567 57.590 -0.023 19045 11640 1 15 . 1 1 160 160 ASP CB C 160 41.474 41.474 40.867 0.607 19045 11641 1 15 . 1 1 160 160 ASP H H 160 8.752 8.752 8.084 0.668 19045 11642 1 15 . 1 1 161 161 PHE N N 161 119.972 119.972 118.336 1.636 19045 11643 1 15 . 1 1 161 161 PHE HA H 161 4.175 4.175 4.442 -0.267 19045 11644 1 15 . 1 1 161 161 PHE CA C 161 62.688 62.688 59.873 2.815 19045 11645 1 15 . 1 1 161 161 PHE CB C 161 39.789 39.789 38.729 1.060 19045 11646 1 15 . 1 1 161 161 PHE H H 161 8.558 8.558 8.321 0.237 19045 11647 1 15 . 1 1 162 162 MET N N 162 116.261 116.261 120.739 -4.478 19045 11648 1 15 . 1 1 162 162 MET HA H 162 3.702 3.702 3.164 0.538 19045 11649 1 15 . 1 1 162 162 MET CA C 162 59.342 59.342 58.867 0.475 19045 11650 1 15 . 1 1 162 162 MET CB C 162 32.081 32.081 32.114 -0.033 19045 11651 1 15 . 1 1 162 162 MET H H 162 8.597 8.597 7.380 1.217 19045 11652 1 15 . 1 1 163 163 LEU N N 163 119.069 119.069 113.287 5.782 19045 11653 1 15 . 1 1 163 163 LEU HA H 163 3.952 3.952 4.003 -0.051 19045 11654 1 15 . 1 1 163 163 LEU CA C 163 57.856 57.856 55.166 2.690 19045 11655 1 15 . 1 1 163 163 LEU CB C 163 42.236 42.236 41.722 0.514 19045 11656 1 15 . 1 1 163 163 LEU H H 163 8.291 8.291 7.381 0.910 19045 11657 1 15 . 1 1 164 164 HIS N N 164 113.591 113.591 115.566 -1.975 19045 11658 1 15 . 1 1 164 164 HIS HA H 164 4.430 4.430 4.792 -0.362 19045 11659 1 15 . 1 1 164 164 HIS CA C 164 57.289 57.289 56.011 1.278 19045 11660 1 15 . 1 1 164 164 HIS CB C 164 28.766 28.766 30.342 -1.576 19045 11661 1 15 . 1 1 164 164 HIS H H 164 8.111 8.111 7.610 0.501 19045 11662 1 15 . 1 1 165 165 HIS N N 165 115.730 115.730 118.311 -2.581 19045 11663 1 15 . 1 1 165 165 HIS HA H 165 4.602 4.602 4.687 -0.085 19045 11664 1 15 . 1 1 165 165 HIS CA C 165 54.752 54.752 55.788 -1.036 19045 11665 1 15 . 1 1 165 165 HIS CB C 165 26.766 26.766 30.663 -3.897 19045 11666 1 15 . 1 1 165 165 HIS H H 165 7.789 7.789 7.695 0.094 19045 11667 1 15 . 1 1 166 166 CYS N N 166 109.533 109.533 116.614 -7.081 19045 11668 1 15 . 1 1 166 166 CYS HA H 166 4.274 4.274 4.069 0.205 19045 11669 1 15 . 1 1 166 166 CYS CA C 166 61.452 61.452 60.569 0.883 19045 11670 1 15 . 1 1 166 166 CYS CB C 166 25.215 25.215 26.390 -1.175 19045 11671 1 15 . 1 1 166 166 CYS H H 166 7.761 7.761 8.542 -0.781 19045 11672 1 15 . 1 1 167 167 ILE N N 167 119.980 119.980 120.350 -0.370 19045 11673 1 15 . 1 1 167 167 ILE HA H 167 3.563 3.563 3.691 -0.128 19045 11674 1 15 . 1 1 167 167 ILE CA C 167 62.212 62.212 63.746 -1.534 19045 11675 1 15 . 1 1 167 167 ILE CB C 167 35.969 35.969 36.553 -0.584 19045 11676 1 15 . 1 1 167 167 ILE H H 167 7.574 7.574 7.569 0.005 19045 11677 1 15 . 1 1 168 168 ALA N N 168 121.737 121.737 122.409 -0.672 19045 11678 1 15 . 1 1 168 168 ALA HA H 168 3.775 3.775 3.825 -0.050 19045 11679 1 15 . 1 1 168 168 ALA CA C 168 55.082 55.082 55.769 -0.687 19045 11680 1 15 . 1 1 168 168 ALA CB C 168 16.505 16.505 18.209 -1.704 19045 11681 1 15 . 1 1 168 168 ALA H H 168 7.935 7.935 7.501 0.434 19045 11682 1 15 . 1 1 169 169 ARG N N 169 118.369 118.369 118.287 0.082 19045 11683 1 15 . 1 1 169 169 ARG HA H 169 3.550 3.550 3.954 -0.404 19045 11684 1 15 . 1 1 169 169 ARG CA C 169 59.581 59.581 58.808 0.773 19045 11685 1 15 . 1 1 169 169 ARG CB C 169 29.380 29.380 29.508 -0.128 19045 11686 1 15 . 1 1 169 169 ARG H H 169 7.936 7.936 8.378 -0.442 19045 11687 1 15 . 1 1 170 170 TRP N N 170 121.173 121.173 121.898 -0.725 19045 11688 1 15 . 1 1 170 170 TRP HA H 170 3.763 3.763 4.192 -0.429 19045 11689 1 15 . 1 1 170 170 TRP CA C 170 62.080 62.080 61.029 1.051 19045 11690 1 15 . 1 1 170 170 TRP CB C 170 29.423 29.423 29.150 0.273 19045 11691 1 15 . 1 1 170 170 TRP H H 170 7.259 7.259 7.374 -0.115 19045 11692 1 15 . 1 1 171 171 ILE N N 171 117.994 117.994 118.528 -0.534 19045 11693 1 15 . 1 1 171 171 ILE HA H 171 2.864 2.864 2.981 -0.117 19045 11694 1 15 . 1 1 171 171 ILE CA C 171 65.347 65.347 64.718 0.629 19045 11695 1 15 . 1 1 171 171 ILE CB C 171 37.781 37.781 37.492 0.289 19045 11696 1 15 . 1 1 171 171 ILE H H 171 8.074 8.074 8.282 -0.208 19045 11697 1 15 . 1 1 172 172 ALA N N 172 123.588 123.588 120.736 2.852 19045 11698 1 15 . 1 1 172 172 ALA HA H 172 3.506 3.506 3.870 -0.364 19045 11699 1 15 . 1 1 172 172 ALA CA C 172 55.685 55.685 54.865 0.820 19045 11700 1 15 . 1 1 172 172 ALA CB C 172 17.050 17.050 18.301 -1.251 19045 11701 1 15 . 1 1 172 172 ALA H H 172 8.511 8.511 7.906 0.605 19045 11702 1 15 . 1 1 173 173 GLN N N 173 117.382 117.382 116.005 1.377 19045 11703 1 15 . 1 1 173 173 GLN HA H 173 3.854 3.854 3.966 -0.112 19045 11704 1 15 . 1 1 173 173 GLN CA C 173 57.904 57.904 57.511 0.393 19045 11705 1 15 . 1 1 173 173 GLN CB C 173 28.141 28.141 28.697 -0.556 19045 11706 1 15 . 1 1 173 173 GLN H H 173 7.898 7.898 7.583 0.315 19045 11707 1 15 . 1 1 174 174 ARG N N 174 116.800 116.800 116.243 0.557 19045 11708 1 15 . 1 1 174 174 ARG HA H 174 4.097 4.097 4.075 0.022 19045 11709 1 15 . 1 1 174 174 ARG CA C 174 55.395 55.395 55.677 -0.282 19045 11710 1 15 . 1 1 174 174 ARG CB C 174 29.652 29.652 30.157 -0.504 19045 11711 1 15 . 1 1 174 174 ARG H H 174 6.984 6.984 7.406 -0.422 19045 11712 1 15 . 1 1 175 175 GLY N N 175 104.194 104.194 105.771 -1.577 19045 11713 1 15 . 1 1 175 175 GLY CA C 175 44.340 44.340 44.530 -0.190 19045 11714 1 15 . 1 1 175 175 GLY H H 175 7.418 7.418 7.076 0.342 19045 11715 1 15 . 1 1 176 176 GLY N N 176 107.629 107.629 107.864 -0.235 19045 11716 1 15 . 1 1 176 176 GLY CA C 176 43.501 43.501 45.061 -1.560 19045 11717 1 15 . 1 1 176 176 GLY H H 176 8.072 8.072 7.641 0.431 19045 11718 1 15 . 1 1 177 177 TRP N N 177 117.887 117.887 121.532 -3.645 19045 11719 1 15 . 1 1 177 177 TRP HA H 177 4.476 4.476 4.824 -0.348 19045 11720 1 15 . 1 1 177 177 TRP CA C 177 61.083 61.083 59.155 1.928 19045 11721 1 15 . 1 1 177 177 TRP CB C 177 30.927 30.927 29.552 1.375 19045 11722 1 15 . 1 1 177 177 TRP H H 177 8.218 8.218 8.775 -0.557 19045 11723 1 15 . 1 1 178 178 VAL N N 178 112.929 112.929 119.329 -6.400 19045 11724 1 15 . 1 1 178 178 VAL HA H 178 3.688 3.688 3.862 -0.174 19045 11725 1 15 . 1 1 178 178 VAL CA C 178 64.680 64.680 64.599 0.081 19045 11726 1 15 . 1 1 178 178 VAL CB C 178 31.057 31.057 30.473 0.584 19045 11727 1 15 . 1 1 178 178 VAL H H 178 8.284 8.284 7.704 0.580 19045 11728 1 15 . 1 1 179 179 ALA N N 179 125.101 125.101 121.928 3.173 19045 11729 1 15 . 1 1 179 179 ALA HA H 179 4.009 4.009 4.471 -0.462 19045 11730 1 15 . 1 1 179 179 ALA CA C 179 54.344 54.344 52.257 2.087 19045 11731 1 15 . 1 1 179 179 ALA CB C 179 18.555 18.555 18.925 -0.370 19045 11732 1 15 . 1 1 179 179 ALA H H 179 7.670 7.670 7.702 -0.032 19045 11733 1 15 . 1 1 180 180 ALA N N 180 119.081 119.081 121.745 -2.664 19045 11734 1 15 . 1 1 180 180 ALA HA H 180 3.293 3.293 3.706 -0.413 19045 11735 1 15 . 1 1 180 180 ALA CA C 180 52.783 52.783 54.027 -1.244 19045 11736 1 15 . 1 1 180 180 ALA CB C 180 18.113 18.113 19.108 -0.995 19045 11737 1 15 . 1 1 180 180 ALA H H 180 8.058 8.058 7.385 0.673 19045 11738 1 15 . 1 1 181 181 LEU N N 181 114.169 114.169 112.543 1.626 19045 11739 1 15 . 1 1 181 181 LEU HA H 181 3.911 3.911 4.343 -0.432 19045 11740 1 15 . 1 1 181 181 LEU CA C 181 56.128 56.128 55.601 0.527 19045 11741 1 15 . 1 1 181 181 LEU CB C 181 40.955 40.955 40.548 0.407 19045 11742 1 15 . 1 1 181 181 LEU H H 181 7.342 7.342 8.077 -0.735 19045 11743 1 15 . 1 1 182 182 ASN N N 182 115.061 115.061 117.365 -2.304 19045 11744 1 15 . 1 1 182 182 ASN HA H 182 4.743 4.743 4.783 -0.040 19045 11745 1 15 . 1 1 182 182 ASN CA C 182 52.508 52.508 53.138 -0.630 19045 11746 1 15 . 1 1 182 182 ASN CB C 182 39.091 39.091 39.069 0.022 19045 11747 1 15 . 1 1 182 182 ASN H H 182 7.289 7.289 7.651 -0.362 19045 11748 1 15 . 1 1 183 183 LEU N N 183 119.889 119.889 119.062 0.827 19045 11749 1 15 . 1 1 183 183 LEU HA H 183 4.125 4.125 4.709 -0.584 19045 11750 1 15 . 1 1 183 183 LEU CA C 183 55.201 55.201 54.236 0.966 19045 11751 1 15 . 1 1 183 183 LEU CB C 183 42.174 42.174 43.427 -1.253 19045 11752 1 15 . 1 1 183 183 LEU H H 183 7.148 7.148 7.342 -0.194 19045 11753 1 15 . 1 1 184 184 GLY N N 184 107.883 107.883 108.787 -0.904 19045 11754 1 15 . 1 1 184 184 GLY CA C 184 45.256 45.256 46.776 -1.520 19045 11755 1 15 . 1 1 184 184 GLY H H 184 8.486 8.486 8.565 -0.079 19045 11756 1 15 . 1 1 185 185 ASN N N 185 118.093 118.093 123.439 -5.346 19045 11757 1 15 . 1 1 185 185 ASN HA H 185 4.755 4.755 4.886 -0.131 19045 11758 1 15 . 1 1 185 185 ASN CA C 185 52.812 52.812 52.277 0.535 19045 11759 1 15 . 1 1 185 185 ASN CB C 185 39.297 39.297 38.867 0.430 19045 11760 1 15 . 1 1 185 185 ASN H H 185 8.074 8.074 8.470 -0.396 19045 11761 1 16 . 1 1 19 19 LEU N N 19 122.834 122.834 122.858 -0.024 19045 11762 1 16 . 1 1 19 19 LEU HA H 19 4.523 4.523 4.818 -0.295 19045 11763 1 16 . 1 1 19 19 LEU CA C 19 52.690 52.690 52.883 -0.193 19045 11764 1 16 . 1 1 19 19 LEU CB C 19 41.808 41.808 41.103 0.705 19045 11765 1 16 . 1 1 19 19 LEU H H 19 8.080 8.080 8.138 -0.058 19045 11766 1 16 . 1 1 20 20 PRO HA H 20 4.353 4.353 4.447 -0.094 19045 11767 1 16 . 1 1 20 20 PRO CA C 20 62.826 62.826 62.731 0.095 19045 11768 1 16 . 1 1 20 20 PRO CB C 20 31.969 31.969 32.340 -0.371 19045 11769 1 16 . 1 1 21 21 SER N N 21 116.268 116.268 114.379 1.889 19045 11770 1 16 . 1 1 21 21 SER HA H 21 4.249 4.249 4.124 0.125 19045 11771 1 16 . 1 1 21 21 SER CA C 21 58.338 58.338 58.866 -0.528 19045 11772 1 16 . 1 1 21 21 SER CB C 21 63.856 63.856 63.530 0.326 19045 11773 1 16 . 1 1 21 21 SER H H 21 8.246 8.246 8.193 0.053 19045 11774 1 16 . 1 1 22 22 ALA N N 22 125.246 125.246 123.801 1.445 19045 11775 1 16 . 1 1 22 22 ALA HA H 22 4.405 4.405 4.141 0.264 19045 11776 1 16 . 1 1 22 22 ALA CA C 22 52.086 52.086 52.708 -0.622 19045 11777 1 16 . 1 1 22 22 ALA CB C 22 19.582 19.582 19.331 0.251 19045 11778 1 16 . 1 1 22 22 ALA H H 22 8.192 8.192 8.163 0.029 19045 11779 1 16 . 1 1 23 23 SER N N 23 114.236 114.236 114.027 0.209 19045 11780 1 16 . 1 1 23 23 SER HA H 23 4.469 4.469 4.646 -0.177 19045 11781 1 16 . 1 1 23 23 SER CA C 23 57.386 57.386 57.703 -0.317 19045 11782 1 16 . 1 1 23 23 SER CB C 23 64.582 64.582 64.689 -0.107 19045 11783 1 16 . 1 1 23 23 SER H H 23 8.081 8.081 8.214 -0.133 19045 11784 1 16 . 1 1 24 24 GLU N N 24 124.005 124.005 122.539 1.466 19045 11785 1 16 . 1 1 24 24 GLU HA H 24 3.534 3.534 3.917 -0.383 19045 11786 1 16 . 1 1 24 24 GLU CA C 24 59.772 59.772 59.830 -0.058 19045 11787 1 16 . 1 1 24 24 GLU CB C 24 29.798 29.798 29.199 0.599 19045 11788 1 16 . 1 1 24 24 GLU H H 24 8.702 8.702 8.977 -0.275 19045 11789 1 16 . 1 1 25 25 GLU N N 25 118.390 118.390 118.700 -0.310 19045 11790 1 16 . 1 1 25 25 GLU HA H 25 3.796 3.796 4.003 -0.207 19045 11791 1 16 . 1 1 25 25 GLU CA C 25 59.939 59.939 59.502 0.437 19045 11792 1 16 . 1 1 25 25 GLU CB C 25 29.217 29.217 29.042 0.175 19045 11793 1 16 . 1 1 25 25 GLU H H 25 8.559 8.559 8.882 -0.323 19045 11794 1 16 . 1 1 26 26 GLN N N 26 120.776 120.776 118.638 2.138 19045 11795 1 16 . 1 1 26 26 GLN HA H 26 3.916 3.916 4.205 -0.289 19045 11796 1 16 . 1 1 26 26 GLN CA C 26 58.343 58.343 58.468 -0.125 19045 11797 1 16 . 1 1 26 26 GLN CB C 26 28.119 28.119 27.933 0.185 19045 11798 1 16 . 1 1 26 26 GLN H H 26 7.764 7.764 7.723 0.041 19045 11799 1 16 . 1 1 27 27 VAL N N 27 118.723 118.723 121.198 -2.475 19045 11800 1 16 . 1 1 27 27 VAL HA H 27 3.933 3.933 3.758 0.175 19045 11801 1 16 . 1 1 27 27 VAL CA C 27 66.285 66.285 66.478 -0.193 19045 11802 1 16 . 1 1 27 27 VAL CB C 27 31.596 31.596 31.159 0.437 19045 11803 1 16 . 1 1 27 27 VAL H H 27 8.062 8.062 8.401 -0.339 19045 11804 1 16 . 1 1 28 28 ALA N N 28 122.902 122.902 122.180 0.722 19045 11805 1 16 . 1 1 28 28 ALA HA H 28 4.026 4.026 3.946 0.080 19045 11806 1 16 . 1 1 28 28 ALA CA C 28 56.178 56.178 55.250 0.928 19045 11807 1 16 . 1 1 28 28 ALA CB C 28 18.463 18.463 18.267 0.196 19045 11808 1 16 . 1 1 28 28 ALA H H 28 8.412 8.412 8.192 0.220 19045 11809 1 16 . 1 1 29 29 GLN N N 29 117.996 117.996 118.385 -0.389 19045 11810 1 16 . 1 1 29 29 GLN HA H 29 4.084 4.084 4.169 -0.085 19045 11811 1 16 . 1 1 29 29 GLN CA C 29 59.063 59.063 58.956 0.107 19045 11812 1 16 . 1 1 29 29 GLN CB C 29 28.452 28.452 28.658 -0.206 19045 11813 1 16 . 1 1 29 29 GLN H H 29 7.900 7.900 7.773 0.127 19045 11814 1 16 . 1 1 30 30 ASP N N 30 121.907 121.907 119.333 2.574 19045 11815 1 16 . 1 1 30 30 ASP HA H 30 4.521 4.521 4.339 0.182 19045 11816 1 16 . 1 1 30 30 ASP CA C 30 57.038 57.038 57.190 -0.152 19045 11817 1 16 . 1 1 30 30 ASP CB C 30 41.939 41.939 40.245 1.694 19045 11818 1 16 . 1 1 30 30 ASP H H 30 8.888 8.888 8.214 0.674 19045 11819 1 16 . 1 1 31 31 THR N N 31 114.861 114.861 116.575 -1.714 19045 11820 1 16 . 1 1 31 31 THR HA H 31 3.493 3.493 3.468 0.025 19045 11821 1 16 . 1 1 31 31 THR CA C 31 66.946 66.946 66.382 0.564 19045 11822 1 16 . 1 1 31 31 THR CB C 31 68.523 68.523 68.464 0.059 19045 11823 1 16 . 1 1 31 31 THR H H 31 8.069 8.069 8.322 -0.253 19045 11824 1 16 . 1 1 32 32 GLU N N 32 120.848 120.848 120.991 -0.143 19045 11825 1 16 . 1 1 32 32 GLU HA H 32 3.597 3.597 3.965 -0.368 19045 11826 1 16 . 1 1 32 32 GLU CA C 32 60.899 60.899 59.517 1.382 19045 11827 1 16 . 1 1 32 32 GLU CB C 32 28.963 28.963 28.847 0.116 19045 11828 1 16 . 1 1 32 32 GLU H H 32 7.578 7.578 8.035 -0.457 19045 11829 1 16 . 1 1 33 33 GLU N N 33 117.741 117.741 120.068 -2.327 19045 11830 1 16 . 1 1 33 33 GLU HA H 33 3.938 3.938 4.001 -0.063 19045 11831 1 16 . 1 1 33 33 GLU CA C 33 58.768 58.768 59.209 -0.441 19045 11832 1 16 . 1 1 33 33 GLU CB C 33 29.708 29.708 29.527 0.181 19045 11833 1 16 . 1 1 33 33 GLU H H 33 7.446 7.446 7.810 -0.364 19045 11834 1 16 . 1 1 34 34 VAL N N 34 120.239 120.239 119.321 0.918 19045 11835 1 16 . 1 1 34 34 VAL HA H 34 3.108 3.108 3.627 -0.519 19045 11836 1 16 . 1 1 34 34 VAL CA C 34 66.979 66.979 65.560 1.419 19045 11837 1 16 . 1 1 34 34 VAL CB C 34 31.884 31.884 30.607 1.277 19045 11838 1 16 . 1 1 34 34 VAL H H 34 7.792 7.792 8.117 -0.325 19045 11839 1 16 . 1 1 35 35 PHE N N 35 117.559 117.559 121.439 -3.880 19045 11840 1 16 . 1 1 35 35 PHE HA H 35 4.209 4.209 4.035 0.174 19045 11841 1 16 . 1 1 35 35 PHE CA C 35 61.592 61.592 61.794 -0.202 19045 11842 1 16 . 1 1 35 35 PHE CB C 35 39.066 39.066 38.727 0.339 19045 11843 1 16 . 1 1 35 35 PHE H H 35 8.895 8.895 8.378 0.517 19045 11844 1 16 . 1 1 36 36 ARG N N 36 116.705 116.705 118.927 -2.222 19045 11845 1 16 . 1 1 36 36 ARG HA H 36 3.555 3.555 3.384 0.171 19045 11846 1 16 . 1 1 36 36 ARG CA C 36 59.906 59.906 59.962 -0.056 19045 11847 1 16 . 1 1 36 36 ARG CB C 36 29.654 29.654 30.152 -0.498 19045 11848 1 16 . 1 1 36 36 ARG H H 36 8.182 8.182 8.091 0.090 19045 11849 1 16 . 1 1 37 37 SER N N 37 112.628 112.628 115.164 -2.536 19045 11850 1 16 . 1 1 37 37 SER HA H 37 4.122 4.122 4.170 -0.048 19045 11851 1 16 . 1 1 37 37 SER CA C 37 61.258 61.258 61.267 -0.009 19045 11852 1 16 . 1 1 37 37 SER CB C 37 63.089 63.089 63.105 -0.016 19045 11853 1 16 . 1 1 37 37 SER H H 37 7.845 7.845 7.996 -0.151 19045 11854 1 16 . 1 1 38 38 TYR N N 38 122.458 122.458 124.613 -2.155 19045 11855 1 16 . 1 1 38 38 TYR HA H 38 3.927 3.927 4.073 -0.146 19045 11856 1 16 . 1 1 38 38 TYR CA C 38 62.006 62.006 61.914 0.092 19045 11857 1 16 . 1 1 38 38 TYR CB C 38 38.892 38.892 38.470 0.422 19045 11858 1 16 . 1 1 38 38 TYR H H 38 8.793 8.793 7.839 0.954 19045 11859 1 16 . 1 1 39 39 VAL N N 39 115.951 115.951 117.421 -1.470 19045 11860 1 16 . 1 1 39 39 VAL HA H 39 3.209 3.209 3.264 -0.055 19045 11861 1 16 . 1 1 39 39 VAL CA C 39 65.982 65.982 65.766 0.216 19045 11862 1 16 . 1 1 39 39 VAL CB C 39 30.884 30.884 30.488 0.396 19045 11863 1 16 . 1 1 39 39 VAL H H 39 8.348 8.348 7.956 0.392 19045 11864 1 16 . 1 1 40 40 PHE N N 40 119.608 119.608 121.197 -1.589 19045 11865 1 16 . 1 1 40 40 PHE HA H 40 3.915 3.915 4.055 -0.140 19045 11866 1 16 . 1 1 40 40 PHE CA C 40 61.651 61.651 61.080 0.571 19045 11867 1 16 . 1 1 40 40 PHE CB C 40 39.411 39.411 39.305 0.106 19045 11868 1 16 . 1 1 40 40 PHE H H 40 7.596 7.596 7.889 -0.293 19045 11869 1 16 . 1 1 41 41 TYR N N 41 117.686 117.686 119.213 -1.527 19045 11870 1 16 . 1 1 41 41 TYR HA H 41 3.818 3.818 3.810 0.008 19045 11871 1 16 . 1 1 41 41 TYR CA C 41 63.446 63.446 60.333 3.113 19045 11872 1 16 . 1 1 41 41 TYR CB C 41 37.528 37.528 37.907 -0.379 19045 11873 1 16 . 1 1 41 41 TYR H H 41 8.578 8.578 7.962 0.616 19045 11874 1 16 . 1 1 42 42 ARG N N 42 121.382 121.382 119.775 1.607 19045 11875 1 16 . 1 1 42 42 ARG HA H 42 3.581 3.581 3.819 -0.238 19045 11876 1 16 . 1 1 42 42 ARG CA C 42 57.999 57.999 59.558 -1.559 19045 11877 1 16 . 1 1 42 42 ARG CB C 42 26.992 26.992 30.040 -3.048 19045 11878 1 16 . 1 1 42 42 ARG H H 42 8.784 8.784 8.188 0.596 19045 11879 1 16 . 1 1 43 43 HIS N N 43 118.684 118.684 118.296 0.388 19045 11880 1 16 . 1 1 43 43 HIS HA H 43 4.291 4.291 4.348 -0.057 19045 11881 1 16 . 1 1 43 43 HIS CA C 43 60.041 60.041 60.181 -0.140 19045 11882 1 16 . 1 1 43 43 HIS CB C 43 27.938 27.938 29.855 -1.917 19045 11883 1 16 . 1 1 43 43 HIS H H 43 8.268 8.268 8.106 0.162 19045 11884 1 16 . 1 1 44 44 GLN N N 44 117.841 117.841 119.598 -1.757 19045 11885 1 16 . 1 1 44 44 GLN HA H 44 3.638 3.638 3.799 -0.161 19045 11886 1 16 . 1 1 44 44 GLN CA C 44 58.681 58.681 59.077 -0.396 19045 11887 1 16 . 1 1 44 44 GLN CB C 44 28.977 28.977 28.143 0.834 19045 11888 1 16 . 1 1 44 44 GLN H H 44 7.722 7.722 7.780 -0.058 19045 11889 1 16 . 1 1 45 45 GLN N N 45 117.756 117.756 116.384 1.372 19045 11890 1 16 . 1 1 45 45 GLN HA H 45 3.932 3.932 4.114 -0.182 19045 11891 1 16 . 1 1 45 45 GLN CA C 45 57.923 57.923 58.105 -0.182 19045 11892 1 16 . 1 1 45 45 GLN CB C 45 28.039 28.039 28.472 -0.433 19045 11893 1 16 . 1 1 45 45 GLN H H 45 7.808 7.808 7.374 0.434 19045 11894 1 16 . 1 1 46 46 GLU N N 46 119.876 119.876 120.825 -0.949 19045 11895 1 16 . 1 1 46 46 GLU HA H 46 3.951 3.951 3.891 0.060 19045 11896 1 16 . 1 1 46 46 GLU CA C 46 58.956 58.956 59.226 -0.270 19045 11897 1 16 . 1 1 46 46 GLU CB C 46 29.166 29.166 29.108 0.058 19045 11898 1 16 . 1 1 46 46 GLU H H 46 7.781 7.781 7.843 -0.062 19045 11899 1 16 . 1 1 47 47 GLN N N 47 118.282 118.282 117.523 0.759 19045 11900 1 16 . 1 1 47 47 GLN HA H 47 3.800 3.800 4.184 -0.384 19045 11901 1 16 . 1 1 47 47 GLN CA C 47 57.892 57.892 58.480 -0.588 19045 11902 1 16 . 1 1 47 47 GLN CB C 47 28.662 28.662 28.556 0.106 19045 11903 1 16 . 1 1 47 47 GLN H H 47 7.775 7.775 8.148 -0.373 19045 11904 1 16 . 1 1 48 48 GLU N N 48 118.519 118.519 117.720 0.799 19045 11905 1 16 . 1 1 48 48 GLU HA H 48 4.009 4.009 4.133 -0.124 19045 11906 1 16 . 1 1 48 48 GLU CA C 48 57.586 57.586 58.327 -0.741 19045 11907 1 16 . 1 1 48 48 GLU CB C 48 28.922 28.922 29.873 -0.952 19045 11908 1 16 . 1 1 48 48 GLU H H 48 7.721 7.721 7.763 -0.042 19045 11909 1 16 . 1 1 49 49 ALA N N 49 121.657 121.657 122.024 -0.367 19045 11910 1 16 . 1 1 49 49 ALA HA H 49 4.140 4.140 4.187 -0.047 19045 11911 1 16 . 1 1 49 49 ALA CA C 49 53.389 53.389 53.816 -0.426 19045 11912 1 16 . 1 1 49 49 ALA CB C 49 19.111 19.111 19.313 -0.202 19045 11913 1 16 . 1 1 49 49 ALA H H 49 7.675 7.675 7.647 0.028 19045 11914 1 16 . 1 1 50 50 GLU N N 50 116.803 116.803 114.450 2.353 19045 11915 1 16 . 1 1 50 50 GLU HA H 50 4.182 4.182 4.585 -0.403 19045 11916 1 16 . 1 1 50 50 GLU CA C 50 56.420 56.420 54.989 1.431 19045 11917 1 16 . 1 1 50 50 GLU CB C 50 29.798 29.798 32.998 -3.200 19045 11918 1 16 . 1 1 50 50 GLU H H 50 8.106 8.106 8.369 -0.263 19045 11919 1 16 . 1 1 51 51 GLY N N 51 109.812 109.812 106.770 3.042 19045 11920 1 16 . 1 1 51 51 GLY CA C 51 45.739 45.739 45.297 0.442 19045 11921 1 16 . 1 1 51 51 GLY H H 51 8.060 8.060 8.629 -0.569 19045 11922 1 16 . 1 1 52 52 VAL N N 52 118.668 118.668 117.041 1.627 19045 11923 1 16 . 1 1 52 52 VAL HA H 52 4.001 4.001 4.048 -0.047 19045 11924 1 16 . 1 1 52 52 VAL CA C 52 62.175 62.175 62.832 -0.657 19045 11925 1 16 . 1 1 52 52 VAL CB C 52 32.294 32.294 31.621 0.673 19045 11926 1 16 . 1 1 52 52 VAL H H 52 7.718 7.718 7.581 0.137 19045 11927 1 16 . 1 1 53 53 ALA N N 53 125.624 125.624 124.984 0.640 19045 11928 1 16 . 1 1 53 53 ALA HA H 53 4.220 4.220 4.054 0.166 19045 11929 1 16 . 1 1 53 53 ALA CA C 53 51.869 51.869 52.626 -0.757 19045 11930 1 16 . 1 1 53 53 ALA CB C 53 19.065 19.065 17.650 1.415 19045 11931 1 16 . 1 1 53 53 ALA H H 53 8.073 8.073 8.651 -0.578 19045 11932 1 16 . 1 1 54 54 ALA N N 54 123.638 123.638 121.931 1.707 19045 11933 1 16 . 1 1 54 54 ALA HA H 54 4.472 4.472 5.069 -0.597 19045 11934 1 16 . 1 1 54 54 ALA CA C 54 49.869 49.869 50.034 -0.165 19045 11935 1 16 . 1 1 54 54 ALA CB C 54 18.488 18.488 19.452 -0.964 19045 11936 1 16 . 1 1 54 54 ALA H H 54 7.718 7.718 7.844 -0.126 19045 11937 1 16 . 1 1 55 55 PRO HA H 55 4.292 4.292 4.343 -0.051 19045 11938 1 16 . 1 1 55 55 PRO CA C 55 62.966 62.966 62.478 0.488 19045 11939 1 16 . 1 1 55 55 PRO CB C 55 31.754 31.754 32.207 -0.453 19045 11940 1 16 . 1 1 56 56 ALA N N 56 124.218 124.218 122.710 1.508 19045 11941 1 16 . 1 1 56 56 ALA HA H 56 4.220 4.220 4.316 -0.096 19045 11942 1 16 . 1 1 56 56 ALA CB C 56 19.119 19.119 17.655 1.464 19045 11943 1 16 . 1 1 56 56 ALA H H 56 8.259 8.259 8.419 -0.160 19045 11944 1 16 . 1 1 57 57 ASP N N 57 120.884 120.884 119.296 1.588 19045 11945 1 16 . 1 1 57 57 ASP HA H 57 4.572 4.572 4.437 0.135 19045 11946 1 16 . 1 1 57 57 ASP CA C 57 52.742 52.742 54.602 -1.860 19045 11947 1 16 . 1 1 57 57 ASP CB C 57 41.642 41.642 39.100 2.542 19045 11948 1 16 . 1 1 57 57 ASP H H 57 7.829 7.829 8.251 -0.422 19045 11949 1 16 . 1 1 58 58 PRO HA H 58 4.052 4.052 4.522 -0.470 19045 11950 1 16 . 1 1 58 58 PRO CA C 58 64.128 64.128 63.393 0.735 19045 11951 1 16 . 1 1 58 58 PRO CB C 58 31.989 31.989 32.494 -0.505 19045 11952 1 16 . 1 1 59 59 GLU HA H 59 4.549 4.549 4.402 0.147 19045 11953 1 16 . 1 1 59 59 GLU CA C 59 54.266 54.266 56.242 -1.976 19045 11954 1 16 . 1 1 59 59 GLU CB C 59 29.285 29.285 31.491 -2.206 19045 11955 1 16 . 1 1 60 60 MET HA H 60 3.846 3.846 4.383 -0.537 19045 11956 1 16 . 1 1 60 60 MET CA C 60 57.219 57.219 57.514 -0.295 19045 11957 1 16 . 1 1 60 60 MET CB C 60 31.894 31.894 32.717 -0.823 19045 11958 1 16 . 1 1 60 60 MET H H 60 7.070 7.070 8.471 -1.401 19045 11959 1 16 . 1 1 61 61 VAL N N 61 113.014 113.014 117.714 -4.700 19045 11960 1 16 . 1 1 61 61 VAL HA H 61 4.051 4.051 3.827 0.224 19045 11961 1 16 . 1 1 61 61 VAL CA C 61 62.799 62.799 63.885 -1.086 19045 11962 1 16 . 1 1 61 61 VAL CB C 61 31.993 31.993 30.704 1.289 19045 11963 1 16 . 1 1 61 61 VAL H H 61 6.833 6.833 8.051 -1.218 19045 11964 1 16 . 1 1 62 62 THR N N 62 110.188 110.188 110.152 0.036 19045 11965 1 16 . 1 1 62 62 THR HA H 62 4.230 4.230 3.934 0.296 19045 11966 1 16 . 1 1 62 62 THR CA C 62 60.947 60.947 62.048 -1.101 19045 11967 1 16 . 1 1 62 62 THR CB C 62 69.192 69.192 69.216 -0.023 19045 11968 1 16 . 1 1 62 62 THR H H 62 7.101 7.101 7.642 -0.541 19045 11969 1 16 . 1 1 63 63 LEU N N 63 125.158 125.158 119.002 6.156 19045 11970 1 16 . 1 1 63 63 LEU HA H 63 4.205 4.205 4.366 -0.161 19045 11971 1 16 . 1 1 63 63 LEU CA C 63 52.688 52.688 54.097 -1.409 19045 11972 1 16 . 1 1 63 63 LEU CB C 63 42.252 42.252 41.387 0.865 19045 11973 1 16 . 1 1 63 63 LEU H H 63 7.079 7.079 7.829 -0.750 19045 11974 1 16 . 1 1 64 64 PRO HA H 64 4.282 4.282 4.325 -0.043 19045 11975 1 16 . 1 1 64 64 PRO CA C 64 62.613 62.613 62.915 -0.302 19045 11976 1 16 . 1 1 64 64 PRO CB C 64 30.705 30.705 29.889 0.816 19045 11977 1 16 . 1 1 65 65 LEU N N 65 122.384 122.384 122.187 0.197 19045 11978 1 16 . 1 1 65 65 LEU HA H 65 4.234 4.234 4.558 -0.324 19045 11979 1 16 . 1 1 65 65 LEU CA C 65 54.499 54.499 53.721 0.778 19045 11980 1 16 . 1 1 65 65 LEU CB C 65 43.438 43.438 44.146 -0.708 19045 11981 1 16 . 1 1 65 65 LEU H H 65 7.653 7.653 7.920 -0.267 19045 11982 1 16 . 1 1 66 66 GLN N N 66 121.802 121.802 122.367 -0.565 19045 11983 1 16 . 1 1 66 66 GLN HA H 66 4.209 4.209 4.693 -0.484 19045 11984 1 16 . 1 1 66 66 GLN CA C 66 52.783 52.783 53.239 -0.456 19045 11985 1 16 . 1 1 66 66 GLN CB C 66 28.136 28.136 28.934 -0.798 19045 11986 1 16 . 1 1 66 66 GLN H H 66 8.634 8.634 8.532 0.102 19045 11987 1 16 . 1 1 67 67 PRO HA H 67 4.139 4.139 4.434 -0.295 19045 11988 1 16 . 1 1 67 67 PRO CA C 67 64.488 64.488 63.960 0.528 19045 11989 1 16 . 1 1 67 67 PRO CB C 67 32.003 32.003 31.881 0.122 19045 11990 1 16 . 1 1 68 68 SER N N 68 111.024 111.024 112.396 -1.372 19045 11991 1 16 . 1 1 68 68 SER HA H 68 4.313 4.313 4.568 -0.255 19045 11992 1 16 . 1 1 68 68 SER CA C 68 57.991 57.991 57.782 0.209 19045 11993 1 16 . 1 1 68 68 SER CB C 68 63.252 63.252 63.218 0.034 19045 11994 1 16 . 1 1 68 68 SER H H 68 8.119 8.119 7.914 0.205 19045 11995 1 16 . 1 1 69 69 SER N N 69 117.598 117.598 116.254 1.344 19045 11996 1 16 . 1 1 69 69 SER HA H 69 4.440 4.440 4.751 -0.311 19045 11997 1 16 . 1 1 69 69 SER CA C 69 57.518 57.518 56.807 0.711 19045 11998 1 16 . 1 1 69 69 SER CB C 69 64.587 64.587 65.630 -1.043 19045 11999 1 16 . 1 1 69 69 SER H H 69 7.723 7.723 7.635 0.088 19045 12000 1 16 . 1 1 70 70 THR N N 70 121.887 121.887 120.138 1.749 19045 12001 1 16 . 1 1 70 70 THR HA H 70 3.873 3.873 4.301 -0.428 19045 12002 1 16 . 1 1 70 70 THR CA C 70 66.723 66.723 65.024 1.699 19045 12003 1 16 . 1 1 70 70 THR CB C 70 68.385 68.385 69.218 -0.833 19045 12004 1 16 . 1 1 70 70 THR H H 70 8.827 8.827 8.711 0.116 19045 12005 1 16 . 1 1 71 71 MET N N 71 117.344 117.344 118.315 -0.971 19045 12006 1 16 . 1 1 71 71 MET HA H 71 4.469 4.469 4.267 0.202 19045 12007 1 16 . 1 1 71 71 MET CA C 71 56.260 56.260 56.969 -0.709 19045 12008 1 16 . 1 1 71 71 MET CB C 71 31.696 31.696 30.972 0.724 19045 12009 1 16 . 1 1 71 71 MET H H 71 8.454 8.454 8.287 0.167 19045 12010 1 16 . 1 1 72 72 GLY N N 72 108.884 108.884 105.121 3.763 19045 12011 1 16 . 1 1 72 72 GLY CA C 72 46.884 46.884 46.485 0.399 19045 12012 1 16 . 1 1 72 72 GLY H H 72 7.979 7.979 7.770 0.209 19045 12013 1 16 . 1 1 73 73 GLN N N 73 121.522 121.522 120.783 0.739 19045 12014 1 16 . 1 1 73 73 GLN HA H 73 3.857 3.857 4.219 -0.362 19045 12015 1 16 . 1 1 73 73 GLN CA C 73 58.220 58.220 58.177 0.043 19045 12016 1 16 . 1 1 73 73 GLN CB C 73 28.309 28.309 28.228 0.081 19045 12017 1 16 . 1 1 73 73 GLN H H 73 7.859 7.859 7.584 0.275 19045 12018 1 16 . 1 1 74 74 VAL N N 74 121.291 121.291 120.881 0.410 19045 12019 1 16 . 1 1 74 74 VAL HA H 74 3.359 3.359 3.689 -0.330 19045 12020 1 16 . 1 1 74 74 VAL CA C 74 67.150 67.150 67.203 -0.053 19045 12021 1 16 . 1 1 74 74 VAL CB C 74 31.249 31.249 31.076 0.173 19045 12022 1 16 . 1 1 74 74 VAL H H 74 8.155 8.155 7.490 0.665 19045 12023 1 16 . 1 1 75 75 GLY N N 75 105.037 105.037 106.064 -1.027 19045 12024 1 16 . 1 1 75 75 GLY CA C 75 48.385 48.385 47.403 0.982 19045 12025 1 16 . 1 1 75 75 GLY H H 75 8.154 8.154 8.246 -0.092 19045 12026 1 16 . 1 1 76 76 ARG N N 76 119.292 119.292 120.239 -0.947 19045 12027 1 16 . 1 1 76 76 ARG HA H 76 3.320 3.320 4.201 -0.881 19045 12028 1 16 . 1 1 76 76 ARG CA C 76 59.540 59.540 59.948 -0.408 19045 12029 1 16 . 1 1 76 76 ARG CB C 76 30.130 30.130 30.201 -0.071 19045 12030 1 16 . 1 1 76 76 ARG H H 76 7.512 7.512 7.296 0.216 19045 12031 1 16 . 1 1 77 77 GLN N N 77 118.008 118.008 119.016 -1.008 19045 12032 1 16 . 1 1 77 77 GLN HA H 77 3.951 3.951 4.154 -0.203 19045 12033 1 16 . 1 1 77 77 GLN CA C 77 58.337 58.337 58.541 -0.204 19045 12034 1 16 . 1 1 77 77 GLN CB C 77 27.512 27.512 28.014 -0.502 19045 12035 1 16 . 1 1 77 77 GLN H H 77 7.852 7.852 7.803 0.049 19045 12036 1 16 . 1 1 78 78 LEU N N 78 116.018 116.018 119.626 -3.608 19045 12037 1 16 . 1 1 78 78 LEU HA H 78 4.078 4.078 3.961 0.117 19045 12038 1 16 . 1 1 78 78 LEU CA C 78 57.391 57.391 58.067 -0.676 19045 12039 1 16 . 1 1 78 78 LEU CB C 78 40.999 40.999 41.462 -0.463 19045 12040 1 16 . 1 1 78 78 LEU H H 78 8.412 8.412 8.475 -0.063 19045 12041 1 16 . 1 1 79 79 ALA N N 79 120.914 120.914 119.557 1.357 19045 12042 1 16 . 1 1 79 79 ALA HA H 79 3.896 3.896 4.197 -0.301 19045 12043 1 16 . 1 1 79 79 ALA CA C 79 54.789 54.789 54.810 -0.021 19045 12044 1 16 . 1 1 79 79 ALA CB C 79 17.880 17.880 18.437 -0.557 19045 12045 1 16 . 1 1 79 79 ALA H H 79 7.789 7.789 8.060 -0.271 19045 12046 1 16 . 1 1 80 80 ILE N N 80 117.984 117.984 117.778 0.206 19045 12047 1 16 . 1 1 80 80 ILE HA H 80 3.895 3.895 4.042 -0.147 19045 12048 1 16 . 1 1 80 80 ILE CA C 80 63.576 63.576 64.585 -1.009 19045 12049 1 16 . 1 1 80 80 ILE CB C 80 38.607 38.607 38.744 -0.137 19045 12050 1 16 . 1 1 80 80 ILE H H 80 7.690 7.690 7.509 0.181 19045 12051 1 16 . 1 1 81 81 ILE HA H 81 3.984 3.984 3.996 -0.012 19045 12052 1 16 . 1 1 81 81 ILE CA C 81 63.608 63.608 63.851 -0.243 19045 12053 1 16 . 1 1 81 81 ILE CB C 81 37.587 37.587 37.308 0.279 19045 12054 1 16 . 1 1 81 81 ILE H H 81 7.910 7.910 8.193 -0.283 19045 12055 1 16 . 1 1 82 82 GLY CA C 82 45.566 45.566 44.887 0.679 19045 12056 1 16 . 1 1 82 82 GLY H H 82 7.765 7.765 8.179 -0.414 19045 12057 1 16 . 1 1 83 83 ASP N N 83 119.914 119.914 123.630 -3.716 19045 12058 1 16 . 1 1 83 83 ASP HA H 83 4.332 4.332 4.415 -0.083 19045 12059 1 16 . 1 1 83 83 ASP CA C 83 58.161 58.161 58.756 -0.595 19045 12060 1 16 . 1 1 83 83 ASP CB C 83 41.771 41.771 41.062 0.709 19045 12061 1 16 . 1 1 83 83 ASP H H 83 7.400 7.400 7.720 -0.320 19045 12062 1 16 . 1 1 84 84 ASP N N 84 116.566 116.566 119.143 -2.577 19045 12063 1 16 . 1 1 84 84 ASP HA H 84 4.200 4.200 4.439 -0.239 19045 12064 1 16 . 1 1 84 84 ASP CA C 84 57.270 57.270 57.648 -0.378 19045 12065 1 16 . 1 1 84 84 ASP CB C 84 40.593 40.593 40.467 0.126 19045 12066 1 16 . 1 1 84 84 ASP H H 84 8.523 8.523 8.365 0.158 19045 12067 1 16 . 1 1 85 85 ILE N N 85 120.454 120.454 118.987 1.467 19045 12068 1 16 . 1 1 85 85 ILE HA H 85 3.753 3.753 3.813 -0.060 19045 12069 1 16 . 1 1 85 85 ILE CA C 85 63.782 63.782 64.826 -1.044 19045 12070 1 16 . 1 1 85 85 ILE CB C 85 37.546 37.546 37.182 0.364 19045 12071 1 16 . 1 1 85 85 ILE H H 85 7.707 7.707 8.066 -0.359 19045 12072 1 16 . 1 1 86 86 ASN N N 86 118.583 118.583 118.792 -0.209 19045 12073 1 16 . 1 1 86 86 ASN HA H 86 4.472 4.472 4.606 -0.134 19045 12074 1 16 . 1 1 86 86 ASN CA C 86 56.087 56.087 56.083 0.004 19045 12075 1 16 . 1 1 86 86 ASN CB C 86 37.614 37.614 38.071 -0.457 19045 12076 1 16 . 1 1 86 86 ASN H H 86 8.440 8.440 8.240 0.200 19045 12077 1 16 . 1 1 87 87 ARG N N 87 117.819 117.819 119.172 -1.353 19045 12078 1 16 . 1 1 87 87 ARG HA H 87 4.043 4.043 4.084 -0.041 19045 12079 1 16 . 1 1 87 87 ARG CA C 87 59.035 59.035 59.286 -0.251 19045 12080 1 16 . 1 1 87 87 ARG CB C 87 29.845 29.845 30.041 -0.196 19045 12081 1 16 . 1 1 87 87 ARG H H 87 8.214 8.214 8.461 -0.247 19045 12082 1 16 . 1 1 88 88 ARG N N 88 117.971 117.971 118.056 -0.085 19045 12083 1 16 . 1 1 88 88 ARG HA H 88 3.965 3.965 4.240 -0.275 19045 12084 1 16 . 1 1 88 88 ARG CA C 88 58.161 58.161 59.094 -0.933 19045 12085 1 16 . 1 1 88 88 ARG CB C 88 30.376 30.376 31.085 -0.709 19045 12086 1 16 . 1 1 88 88 ARG H H 88 7.438 7.438 8.058 -0.620 19045 12087 1 16 . 1 1 89 89 TYR N N 89 114.591 114.591 117.131 -2.540 19045 12088 1 16 . 1 1 89 89 TYR HA H 89 4.753 4.753 4.383 0.370 19045 12089 1 16 . 1 1 89 89 TYR CA C 89 59.481 59.481 61.036 -1.555 19045 12090 1 16 . 1 1 89 89 TYR CB C 89 39.610 39.610 38.675 0.935 19045 12091 1 16 . 1 1 89 89 TYR H H 89 7.635 7.635 8.677 -1.042 19045 12092 1 16 . 1 1 90 90 ASP HA H 90 4.820 4.820 4.344 0.476 19045 12093 1 16 . 1 1 90 90 ASP CA C 90 58.200 58.200 56.816 1.384 19045 12094 1 16 . 1 1 90 90 ASP CB C 90 41.407 41.407 40.518 0.889 19045 12095 1 16 . 1 1 90 90 ASP H H 90 8.282 8.282 8.189 0.093 19045 12096 1 16 . 1 1 91 91 SER N N 91 115.266 115.266 115.573 -0.307 19045 12097 1 16 . 1 1 91 91 SER HA H 91 4.170 4.170 4.380 -0.210 19045 12098 1 16 . 1 1 91 91 SER CA C 91 61.780 61.780 61.328 0.452 19045 12099 1 16 . 1 1 91 91 SER CB C 91 61.891 61.891 63.219 -1.328 19045 12100 1 16 . 1 1 91 91 SER H H 91 8.717 8.717 8.224 0.493 19045 12101 1 16 . 1 1 92 92 GLU N N 92 122.093 122.093 121.169 0.924 19045 12102 1 16 . 1 1 92 92 GLU HA H 92 4.056 4.056 4.261 -0.205 19045 12103 1 16 . 1 1 92 92 GLU CA C 92 58.928 58.928 57.990 0.938 19045 12104 1 16 . 1 1 92 92 GLU CB C 92 29.796 29.796 29.231 0.565 19045 12105 1 16 . 1 1 92 92 GLU H H 92 8.025 8.025 7.849 0.176 19045 12106 1 16 . 1 1 93 93 PHE HA H 93 4.171 4.171 4.044 0.127 19045 12107 1 16 . 1 1 93 93 PHE CA C 93 60.704 60.704 61.655 -0.951 19045 12108 1 16 . 1 1 93 93 PHE CB C 93 38.780 38.780 39.154 -0.374 19045 12109 1 16 . 1 1 93 93 PHE H H 93 7.801 7.801 8.081 -0.280 19045 12110 1 16 . 1 1 94 94 GLN N N 94 118.578 118.578 116.384 2.194 19045 12111 1 16 . 1 1 94 94 GLN HA H 94 3.847 3.847 3.742 0.105 19045 12112 1 16 . 1 1 94 94 GLN CA C 94 59.981 59.981 59.035 0.946 19045 12113 1 16 . 1 1 94 94 GLN CB C 94 28.415 28.415 27.983 0.432 19045 12114 1 16 . 1 1 94 94 GLN H H 94 8.609 8.609 8.156 0.453 19045 12115 1 16 . 1 1 95 95 THR N N 95 116.128 116.128 117.494 -1.366 19045 12116 1 16 . 1 1 95 95 THR HA H 95 3.811 3.811 3.998 -0.187 19045 12117 1 16 . 1 1 95 95 THR CA C 95 66.391 66.391 66.110 0.281 19045 12118 1 16 . 1 1 95 95 THR CB C 95 68.361 68.361 68.579 -0.218 19045 12119 1 16 . 1 1 95 95 THR H H 95 7.826 7.826 7.838 -0.012 19045 12120 1 16 . 1 1 96 96 MET N N 96 120.474 120.474 118.132 2.342 19045 12121 1 16 . 1 1 96 96 MET HA H 96 3.933 3.933 3.596 0.337 19045 12122 1 16 . 1 1 96 96 MET CA C 96 59.949 59.949 57.878 2.071 19045 12123 1 16 . 1 1 96 96 MET CB C 96 33.087 33.087 31.911 1.176 19045 12124 1 16 . 1 1 96 96 MET H H 96 7.728 7.728 7.254 0.474 19045 12125 1 16 . 1 1 97 97 LEU N N 97 118.904 118.904 120.800 -1.896 19045 12126 1 16 . 1 1 97 97 LEU HA H 97 3.604 3.604 3.759 -0.155 19045 12127 1 16 . 1 1 97 97 LEU CA C 97 57.771 57.771 57.854 -0.083 19045 12128 1 16 . 1 1 97 97 LEU CB C 97 40.836 40.836 40.493 0.343 19045 12129 1 16 . 1 1 97 97 LEU H H 97 8.112 8.112 7.831 0.281 19045 12130 1 16 . 1 1 98 98 GLN N N 98 116.798 116.798 116.243 0.555 19045 12131 1 16 . 1 1 98 98 GLN HA H 98 4.003 4.003 4.174 -0.171 19045 12132 1 16 . 1 1 98 98 GLN CA C 98 58.337 58.337 58.262 0.075 19045 12133 1 16 . 1 1 98 98 GLN CB C 98 27.659 27.659 28.790 -1.131 19045 12134 1 16 . 1 1 98 98 GLN H H 98 7.754 7.754 7.779 -0.025 19045 12135 1 16 . 1 1 99 99 HIS N N 99 115.943 115.943 117.182 -1.239 19045 12136 1 16 . 1 1 99 99 HIS HA H 99 4.442 4.442 4.308 0.134 19045 12137 1 16 . 1 1 99 99 HIS CA C 99 57.025 57.025 57.332 -0.307 19045 12138 1 16 . 1 1 99 99 HIS CB C 99 28.848 28.848 29.966 -1.118 19045 12139 1 16 . 1 1 99 99 HIS H H 99 7.504 7.504 7.431 0.073 19045 12140 1 16 . 1 1 100 100 LEU N N 100 121.347 121.347 119.811 1.536 19045 12141 1 16 . 1 1 100 100 LEU HA H 100 3.803 3.803 3.980 -0.177 19045 12142 1 16 . 1 1 100 100 LEU CA C 100 56.801 56.801 56.924 -0.123 19045 12143 1 16 . 1 1 100 100 LEU CB C 100 42.563 42.563 42.708 -0.145 19045 12144 1 16 . 1 1 100 100 LEU H H 100 8.013 8.013 7.589 0.424 19045 12145 1 16 . 1 1 101 101 GLN N N 101 110.029 110.029 114.925 -4.896 19045 12146 1 16 . 1 1 101 101 GLN HA H 101 4.003 4.003 4.204 -0.201 19045 12147 1 16 . 1 1 101 101 GLN CA C 101 55.685 55.685 56.110 -0.425 19045 12148 1 16 . 1 1 101 101 GLN CB C 101 27.301 27.301 26.269 1.032 19045 12149 1 16 . 1 1 101 101 GLN H H 101 7.763 7.763 7.814 -0.051 19045 12150 1 16 . 1 1 102 102 PRO HA H 102 4.926 4.926 4.683 0.243 19045 12151 1 16 . 1 1 102 102 PRO CA C 102 62.372 62.372 63.044 -0.672 19045 12152 1 16 . 1 1 102 102 PRO CB C 102 31.963 31.963 32.949 -0.986 19045 12153 1 16 . 1 1 103 103 THR N N 103 114.119 114.119 107.105 7.014 19045 12154 1 16 . 1 1 103 103 THR HA H 103 4.420 4.420 4.573 -0.153 19045 12155 1 16 . 1 1 103 103 THR CA C 103 58.716 58.716 59.400 -0.684 19045 12156 1 16 . 1 1 103 103 THR CB C 103 72.929 72.929 72.097 0.832 19045 12157 1 16 . 1 1 103 103 THR H H 103 9.386 9.386 8.189 1.197 19045 12158 1 16 . 1 1 104 104 ALA N N 104 120.374 120.374 121.916 -1.542 19045 12159 1 16 . 1 1 104 104 ALA HA H 104 3.737 3.737 4.011 -0.274 19045 12160 1 16 . 1 1 104 104 ALA CA C 104 54.782 54.782 54.552 0.230 19045 12161 1 16 . 1 1 104 104 ALA CB C 104 18.050 18.050 17.995 0.055 19045 12162 1 16 . 1 1 104 104 ALA H H 104 8.723 8.723 8.364 0.359 19045 12163 1 16 . 1 1 105 105 GLU N N 105 113.834 113.834 115.634 -1.800 19045 12164 1 16 . 1 1 105 105 GLU HA H 105 4.122 4.122 4.245 -0.123 19045 12165 1 16 . 1 1 105 105 GLU CA C 105 58.707 58.707 58.905 -0.198 19045 12166 1 16 . 1 1 105 105 GLU CB C 105 29.445 29.445 29.157 0.288 19045 12167 1 16 . 1 1 105 105 GLU H H 105 7.969 7.969 8.499 -0.530 19045 12168 1 16 . 1 1 106 106 ASN N N 106 114.135 114.135 117.141 -3.006 19045 12169 1 16 . 1 1 106 106 ASN HA H 106 4.781 4.781 4.242 0.539 19045 12170 1 16 . 1 1 106 106 ASN CA C 106 52.222 52.222 52.213 0.009 19045 12171 1 16 . 1 1 106 106 ASN CB C 106 38.983 38.983 38.597 0.386 19045 12172 1 16 . 1 1 106 106 ASN H H 106 7.151 7.151 7.607 -0.456 19045 12173 1 16 . 1 1 107 107 ALA N N 107 121.280 121.280 123.959 -2.679 19045 12174 1 16 . 1 1 107 107 ALA HA H 107 3.858 3.858 4.100 -0.242 19045 12175 1 16 . 1 1 107 107 ALA CA C 107 56.988 56.988 55.386 1.602 19045 12176 1 16 . 1 1 107 107 ALA CB C 107 18.278 18.278 19.034 -0.756 19045 12177 1 16 . 1 1 107 107 ALA H H 107 7.940 7.940 7.043 0.897 19045 12178 1 16 . 1 1 108 108 TYR N N 108 117.339 117.339 115.886 1.453 19045 12179 1 16 . 1 1 108 108 TYR HA H 108 3.048 3.048 3.936 -0.888 19045 12180 1 16 . 1 1 108 108 TYR CA C 108 60.578 60.578 59.857 0.721 19045 12181 1 16 . 1 1 108 108 TYR CB C 108 36.804 36.804 36.312 0.492 19045 12182 1 16 . 1 1 108 108 TYR H H 108 8.783 8.783 7.984 0.799 19045 12183 1 16 . 1 1 109 109 GLU N N 109 123.316 123.316 121.481 1.835 19045 12184 1 16 . 1 1 109 109 GLU HA H 109 3.681 3.681 3.708 -0.027 19045 12185 1 16 . 1 1 109 109 GLU CA C 109 59.152 59.152 58.666 0.486 19045 12186 1 16 . 1 1 109 109 GLU CB C 109 28.782 28.782 28.475 0.307 19045 12187 1 16 . 1 1 109 109 GLU H H 109 8.084 8.084 7.362 0.722 19045 12188 1 16 . 1 1 110 110 TYR N N 110 117.254 117.254 117.731 -0.477 19045 12189 1 16 . 1 1 110 110 TYR HA H 110 4.339 4.339 4.337 0.002 19045 12190 1 16 . 1 1 110 110 TYR CA C 110 58.527 58.527 58.803 -0.277 19045 12191 1 16 . 1 1 110 110 TYR CB C 110 36.323 36.323 38.062 -1.739 19045 12192 1 16 . 1 1 110 110 TYR H H 110 8.282 8.282 7.668 0.614 19045 12193 1 16 . 1 1 111 111 PHE N N 111 119.028 119.028 121.157 -2.129 19045 12194 1 16 . 1 1 111 111 PHE HA H 111 3.889 3.889 4.183 -0.294 19045 12195 1 16 . 1 1 111 111 PHE CA C 111 62.350 62.350 61.523 0.827 19045 12196 1 16 . 1 1 111 111 PHE CB C 111 39.369 39.369 39.147 0.222 19045 12197 1 16 . 1 1 111 111 PHE H H 111 9.197 9.197 8.748 0.449 19045 12198 1 16 . 1 1 112 112 THR N N 112 113.669 113.669 113.070 0.599 19045 12199 1 16 . 1 1 112 112 THR HA H 112 3.411 3.411 3.192 0.219 19045 12200 1 16 . 1 1 112 112 THR CA C 112 67.185 67.185 66.486 0.699 19045 12201 1 16 . 1 1 112 112 THR CB C 112 68.294 68.294 67.894 0.400 19045 12202 1 16 . 1 1 112 112 THR H H 112 8.315 8.315 8.623 -0.308 19045 12203 1 16 . 1 1 113 113 LYS N N 113 124.090 124.090 121.812 2.278 19045 12204 1 16 . 1 1 113 113 LYS HA H 113 3.854 3.854 4.074 -0.220 19045 12205 1 16 . 1 1 113 113 LYS CA C 113 60.416 60.416 58.999 1.417 19045 12206 1 16 . 1 1 113 113 LYS CB C 113 33.219 33.219 32.146 1.073 19045 12207 1 16 . 1 1 113 113 LYS H H 113 8.335 8.335 7.193 1.142 19045 12208 1 16 . 1 1 114 114 ILE N N 114 120.457 120.457 119.650 0.807 19045 12209 1 16 . 1 1 114 114 ILE HA H 114 3.145 3.145 3.759 -0.614 19045 12210 1 16 . 1 1 114 114 ILE CA C 114 65.550 65.550 63.127 2.423 19045 12211 1 16 . 1 1 114 114 ILE CB C 114 37.402 37.402 35.996 1.406 19045 12212 1 16 . 1 1 114 114 ILE H H 114 8.042 8.042 7.856 0.186 19045 12213 1 16 . 1 1 115 115 ALA N N 115 121.066 121.066 122.905 -1.839 19045 12214 1 16 . 1 1 115 115 ALA HA H 115 3.219 3.219 3.982 -0.763 19045 12215 1 16 . 1 1 115 115 ALA CA C 115 54.940 54.940 55.519 -0.579 19045 12216 1 16 . 1 1 115 115 ALA CB C 115 16.345 16.345 17.555 -1.210 19045 12217 1 16 . 1 1 115 115 ALA H H 115 8.208 8.208 8.043 0.165 19045 12218 1 16 . 1 1 116 116 THR N N 116 112.803 112.803 114.362 -1.559 19045 12219 1 16 . 1 1 116 116 THR HA H 116 3.808 3.808 4.126 -0.318 19045 12220 1 16 . 1 1 116 116 THR CA C 116 67.557 67.557 66.480 1.077 19045 12221 1 16 . 1 1 116 116 THR CB C 116 68.431 68.431 68.885 -0.454 19045 12222 1 16 . 1 1 116 116 THR H H 116 7.893 7.893 7.946 -0.053 19045 12223 1 16 . 1 1 117 117 SER N N 117 115.935 115.935 115.699 0.236 19045 12224 1 16 . 1 1 117 117 SER HA H 117 4.070 4.070 4.297 -0.227 19045 12225 1 16 . 1 1 117 117 SER CA C 117 61.879 61.879 61.204 0.675 19045 12226 1 16 . 1 1 117 117 SER CB C 117 62.907 62.907 63.417 -0.510 19045 12227 1 16 . 1 1 117 117 SER H H 117 7.139 7.139 7.816 -0.677 19045 12228 1 16 . 1 1 118 118 LEU N N 118 123.462 123.462 122.637 0.825 19045 12229 1 16 . 1 1 118 118 LEU HA H 118 3.596 3.596 3.994 -0.398 19045 12230 1 16 . 1 1 118 118 LEU CA C 118 58.014 58.014 57.277 0.737 19045 12231 1 16 . 1 1 118 118 LEU CB C 118 41.687 41.687 42.180 -0.493 19045 12232 1 16 . 1 1 118 118 LEU H H 118 7.844 7.844 7.731 0.113 19045 12233 1 16 . 1 1 119 119 PHE N N 119 110.270 110.270 113.105 -2.835 19045 12234 1 16 . 1 1 119 119 PHE HA H 119 4.721 4.721 4.760 -0.039 19045 12235 1 16 . 1 1 119 119 PHE CA C 119 58.698 58.698 57.837 0.861 19045 12236 1 16 . 1 1 119 119 PHE CB C 119 38.838 38.838 37.982 0.856 19045 12237 1 16 . 1 1 119 119 PHE H H 119 6.878 6.878 8.496 -1.618 19045 12238 1 16 . 1 1 120 120 GLU N N 120 123.135 123.135 119.723 3.412 19045 12239 1 16 . 1 1 120 120 GLU HA H 120 4.016 4.016 4.146 -0.130 19045 12240 1 16 . 1 1 120 120 GLU CA C 120 59.532 59.532 58.823 0.709 19045 12241 1 16 . 1 1 120 120 GLU CB C 120 29.337 29.337 29.561 -0.224 19045 12242 1 16 . 1 1 120 120 GLU H H 120 7.551 7.551 7.538 0.013 19045 12243 1 16 . 1 1 121 121 SER N N 121 107.983 107.983 114.341 -6.358 19045 12244 1 16 . 1 1 121 121 SER HA H 121 4.522 4.522 4.370 0.152 19045 12245 1 16 . 1 1 121 121 SER CA C 121 57.342 57.342 60.081 -2.739 19045 12246 1 16 . 1 1 121 121 SER CB C 121 63.353 63.353 63.973 -0.620 19045 12247 1 16 . 1 1 121 121 SER H H 121 7.712 7.712 8.395 -0.683 19045 12248 1 16 . 1 1 122 122 GLY N N 122 110.748 110.748 106.755 3.993 19045 12249 1 16 . 1 1 122 122 GLY CA C 122 44.419 44.419 44.748 -0.329 19045 12250 1 16 . 1 1 122 122 GLY H H 122 7.317 7.317 7.876 -0.559 19045 12251 1 16 . 1 1 123 123 ILE N N 123 117.061 117.061 118.171 -1.110 19045 12252 1 16 . 1 1 123 123 ILE HA H 123 3.724 3.724 4.205 -0.481 19045 12253 1 16 . 1 1 123 123 ILE CA C 123 61.383 61.383 60.175 1.208 19045 12254 1 16 . 1 1 123 123 ILE CB C 123 40.588 40.588 39.057 1.531 19045 12255 1 16 . 1 1 123 123 ILE H H 123 7.963 7.963 8.197 -0.234 19045 12256 1 16 . 1 1 124 124 ASN N N 124 117.915 117.915 120.106 -2.191 19045 12257 1 16 . 1 1 124 124 ASN HA H 124 4.204 4.204 4.709 -0.505 19045 12258 1 16 . 1 1 124 124 ASN CA C 124 51.886 51.886 52.611 -0.725 19045 12259 1 16 . 1 1 124 124 ASN CB C 124 39.033 39.033 40.180 -1.147 19045 12260 1 16 . 1 1 124 124 ASN H H 124 6.434 6.434 7.528 -1.094 19045 12261 1 16 . 1 1 125 125 TRP N N 125 119.673 119.673 123.156 -3.483 19045 12262 1 16 . 1 1 125 125 TRP HA H 125 4.470 4.470 4.513 -0.043 19045 12263 1 16 . 1 1 125 125 TRP CA C 125 61.257 61.257 60.803 0.454 19045 12264 1 16 . 1 1 125 125 TRP CB C 125 30.287 30.287 29.869 0.418 19045 12265 1 16 . 1 1 125 125 TRP H H 125 8.824 8.824 9.044 -0.220 19045 12266 1 16 . 1 1 126 126 GLY N N 126 107.516 107.516 105.169 2.347 19045 12267 1 16 . 1 1 126 126 GLY CA C 126 48.294 48.294 47.261 1.033 19045 12268 1 16 . 1 1 126 126 GLY H H 126 9.118 9.118 8.314 0.804 19045 12269 1 16 . 1 1 127 127 ARG N N 127 119.610 119.610 121.801 -2.191 19045 12270 1 16 . 1 1 127 127 ARG HA H 127 3.742 3.742 3.938 -0.196 19045 12271 1 16 . 1 1 127 127 ARG CA C 127 59.551 59.551 58.895 0.656 19045 12272 1 16 . 1 1 127 127 ARG CB C 127 31.163 31.163 29.740 1.423 19045 12273 1 16 . 1 1 127 127 ARG H H 127 8.616 8.616 7.341 1.275 19045 12274 1 16 . 1 1 128 128 VAL N N 128 120.289 120.289 120.201 0.088 19045 12275 1 16 . 1 1 128 128 VAL HA H 128 3.662 3.662 4.001 -0.339 19045 12276 1 16 . 1 1 128 128 VAL CA C 128 68.387 68.387 67.001 1.386 19045 12277 1 16 . 1 1 128 128 VAL CB C 128 31.127 31.127 31.573 -0.446 19045 12278 1 16 . 1 1 128 128 VAL H H 128 7.762 7.762 7.940 -0.178 19045 12279 1 16 . 1 1 129 129 VAL N N 129 119.577 119.577 116.915 2.662 19045 12280 1 16 . 1 1 129 129 VAL HA H 129 3.449 3.449 3.636 -0.187 19045 12281 1 16 . 1 1 129 129 VAL CA C 129 67.772 67.772 66.481 1.291 19045 12282 1 16 . 1 1 129 129 VAL CB C 129 30.918 30.918 30.505 0.413 19045 12283 1 16 . 1 1 129 129 VAL H H 129 8.433 8.433 8.269 0.164 19045 12284 1 16 . 1 1 130 130 ALA N N 130 123.330 123.330 123.867 -0.537 19045 12285 1 16 . 1 1 130 130 ALA HA H 130 4.069 4.069 4.159 -0.090 19045 12286 1 16 . 1 1 130 130 ALA CA C 130 54.978 54.978 55.034 -0.056 19045 12287 1 16 . 1 1 130 130 ALA CB C 130 17.446 17.446 18.396 -0.950 19045 12288 1 16 . 1 1 130 130 ALA H H 130 8.766 8.766 8.057 0.709 19045 12289 1 16 . 1 1 131 131 LEU N N 131 120.040 120.040 119.882 0.158 19045 12290 1 16 . 1 1 131 131 LEU HA H 131 3.961 3.961 4.503 -0.542 19045 12291 1 16 . 1 1 131 131 LEU CA C 131 58.353 58.353 58.211 0.142 19045 12292 1 16 . 1 1 131 131 LEU CB C 131 40.750 40.750 42.431 -1.681 19045 12293 1 16 . 1 1 131 131 LEU H H 131 8.178 8.178 8.064 0.114 19045 12294 1 16 . 1 1 132 132 LEU N N 132 119.150 119.150 117.351 1.799 19045 12295 1 16 . 1 1 132 132 LEU HA H 132 3.952 3.952 4.324 -0.372 19045 12296 1 16 . 1 1 132 132 LEU CA C 132 58.620 58.620 57.778 0.842 19045 12297 1 16 . 1 1 132 132 LEU CB C 132 38.835 38.835 41.216 -2.381 19045 12298 1 16 . 1 1 132 132 LEU H H 132 7.927 7.927 7.621 0.306 19045 12299 1 16 . 1 1 133 133 GLY N N 133 107.066 107.066 108.384 -1.318 19045 12300 1 16 . 1 1 133 133 GLY CA C 133 48.339 48.339 47.783 0.556 19045 12301 1 16 . 1 1 133 133 GLY H H 133 8.752 8.752 8.333 0.419 19045 12302 1 16 . 1 1 134 134 PHE N N 134 123.521 123.521 120.925 2.596 19045 12303 1 16 . 1 1 134 134 PHE HA H 134 4.601 4.601 4.953 -0.352 19045 12304 1 16 . 1 1 134 134 PHE CA C 134 59.884 59.884 57.804 2.080 19045 12305 1 16 . 1 1 134 134 PHE CB C 134 38.622 38.622 38.722 -0.100 19045 12306 1 16 . 1 1 134 134 PHE H H 134 8.606 8.606 8.404 0.202 19045 12307 1 16 . 1 1 135 135 GLY N N 135 106.412 106.412 109.523 -3.111 19045 12308 1 16 . 1 1 135 135 GLY CA C 135 47.731 47.731 47.180 0.551 19045 12309 1 16 . 1 1 135 135 GLY H H 135 8.715 8.715 7.888 0.827 19045 12310 1 16 . 1 1 136 136 TYR N N 136 121.461 121.461 123.093 -1.632 19045 12311 1 16 . 1 1 136 136 TYR HA H 136 4.116 4.116 4.275 -0.159 19045 12312 1 16 . 1 1 136 136 TYR CA C 136 61.564 61.564 60.161 1.403 19045 12313 1 16 . 1 1 136 136 TYR CB C 136 38.469 38.469 38.404 0.065 19045 12314 1 16 . 1 1 136 136 TYR H H 136 8.809 8.809 8.215 0.594 19045 12315 1 16 . 1 1 137 137 ARG N N 137 117.518 117.518 118.337 -0.819 19045 12316 1 16 . 1 1 137 137 ARG HA H 137 3.647 3.647 3.947 -0.300 19045 12317 1 16 . 1 1 137 137 ARG CA C 137 58.904 58.904 59.376 -0.471 19045 12318 1 16 . 1 1 137 137 ARG CB C 137 29.189 29.189 30.064 -0.875 19045 12319 1 16 . 1 1 137 137 ARG H H 137 8.646 8.646 7.768 0.878 19045 12320 1 16 . 1 1 138 138 LEU N N 138 121.658 121.658 119.449 2.209 19045 12321 1 16 . 1 1 138 138 LEU HA H 138 3.905 3.905 4.219 -0.314 19045 12322 1 16 . 1 1 138 138 LEU CA C 138 58.454 58.454 57.840 0.614 19045 12323 1 16 . 1 1 138 138 LEU CB C 138 41.801 41.801 42.026 -0.225 19045 12324 1 16 . 1 1 138 138 LEU H H 138 9.065 9.065 8.161 0.904 19045 12325 1 16 . 1 1 139 139 ALA N N 139 120.012 120.012 120.057 -0.045 19045 12326 1 16 . 1 1 139 139 ALA HA H 139 4.004 4.004 4.486 -0.482 19045 12327 1 16 . 1 1 139 139 ALA CA C 139 55.174 55.174 54.639 0.535 19045 12328 1 16 . 1 1 139 139 ALA CB C 139 17.943 17.943 19.345 -1.402 19045 12329 1 16 . 1 1 139 139 ALA H H 139 8.237 8.237 7.862 0.375 19045 12330 1 16 . 1 1 140 140 LEU N N 140 119.522 119.522 117.583 1.939 19045 12331 1 16 . 1 1 140 140 LEU HA H 140 4.000 4.000 4.074 -0.074 19045 12332 1 16 . 1 1 140 140 LEU CA C 140 57.805 57.805 56.866 0.939 19045 12333 1 16 . 1 1 140 140 LEU CB C 140 42.324 42.324 42.039 0.285 19045 12334 1 16 . 1 1 140 140 LEU H H 140 8.191 8.191 8.042 0.149 19045 12335 1 16 . 1 1 141 141 HIS N N 141 117.834 117.834 116.330 1.504 19045 12336 1 16 . 1 1 141 141 HIS HA H 141 4.183 4.183 4.731 -0.548 19045 12337 1 16 . 1 1 141 141 HIS CA C 141 60.960 60.960 57.924 3.036 19045 12338 1 16 . 1 1 141 141 HIS CB C 141 31.708 31.708 31.080 0.628 19045 12339 1 16 . 1 1 141 141 HIS H H 141 8.253 8.253 8.100 0.153 19045 12340 1 16 . 1 1 142 142 VAL N N 142 113.700 113.700 114.312 -0.612 19045 12341 1 16 . 1 1 142 142 VAL HA H 142 3.887 3.887 4.480 -0.593 19045 12342 1 16 . 1 1 142 142 VAL CA C 142 65.948 65.948 62.555 3.393 19045 12343 1 16 . 1 1 142 142 VAL CB C 142 30.264 30.264 32.966 -2.702 19045 12344 1 16 . 1 1 142 142 VAL H H 142 8.455 8.455 7.525 0.930 19045 12345 1 16 . 1 1 143 143 TYR N N 143 123.307 123.307 121.459 1.848 19045 12346 1 16 . 1 1 143 143 TYR HA H 143 4.320 4.320 4.075 0.245 19045 12347 1 16 . 1 1 143 143 TYR CA C 143 61.934 61.934 61.239 0.695 19045 12348 1 16 . 1 1 143 143 TYR CB C 143 38.779 38.779 37.065 1.714 19045 12349 1 16 . 1 1 143 143 TYR H H 143 7.750 7.750 8.393 -0.643 19045 12350 1 16 . 1 1 144 144 GLN N N 144 118.560 118.560 116.607 1.953 19045 12351 1 16 . 1 1 144 144 GLN HA H 144 3.686 3.686 3.383 0.303 19045 12352 1 16 . 1 1 144 144 GLN CA C 144 58.055 58.055 57.687 0.368 19045 12353 1 16 . 1 1 144 144 GLN CB C 144 27.859 27.859 27.909 -0.050 19045 12354 1 16 . 1 1 144 144 GLN H H 144 8.486 8.486 8.084 0.402 19045 12355 1 16 . 1 1 145 145 HIS N N 145 114.312 114.312 117.884 -3.572 19045 12356 1 16 . 1 1 145 145 HIS HA H 145 4.330 4.330 4.275 0.055 19045 12357 1 16 . 1 1 145 145 HIS CA C 145 56.178 56.178 57.922 -1.744 19045 12358 1 16 . 1 1 145 145 HIS CB C 145 27.751 27.751 30.229 -2.478 19045 12359 1 16 . 1 1 145 145 HIS H H 145 7.350 7.350 7.852 -0.502 19045 12360 1 16 . 1 1 146 146 GLY N N 146 106.537 106.537 106.987 -0.450 19045 12361 1 16 . 1 1 146 146 GLY CA C 146 45.715 45.715 44.935 0.780 19045 12362 1 16 . 1 1 146 146 GLY H H 146 7.471 7.471 7.518 -0.047 19045 12363 1 16 . 1 1 147 147 LEU N N 147 123.302 123.302 120.942 2.360 19045 12364 1 16 . 1 1 147 147 LEU HA H 147 4.496 4.496 4.951 -0.455 19045 12365 1 16 . 1 1 147 147 LEU CA C 147 54.259 54.259 53.427 0.832 19045 12366 1 16 . 1 1 147 147 LEU CB C 147 41.033 41.033 44.273 -3.240 19045 12367 1 16 . 1 1 147 147 LEU H H 147 7.933 7.933 7.825 0.108 19045 12368 1 16 . 1 1 148 148 THR HA H 148 4.523 4.523 4.591 -0.068 19045 12369 1 16 . 1 1 148 148 THR CA C 148 61.027 61.027 62.423 -1.397 19045 12370 1 16 . 1 1 148 148 THR CB C 148 70.359 70.359 70.334 0.025 19045 12371 1 16 . 1 1 149 149 GLY CA C 149 47.016 47.016 45.602 1.414 19045 12372 1 16 . 1 1 149 149 GLY H H 149 8.458 8.458 7.931 0.527 19045 12373 1 16 . 1 1 150 150 PHE N N 150 123.408 123.408 122.991 0.417 19045 12374 1 16 . 1 1 150 150 PHE HA H 150 4.555 4.555 4.758 -0.203 19045 12375 1 16 . 1 1 150 150 PHE CA C 150 57.964 57.964 56.004 1.960 19045 12376 1 16 . 1 1 150 150 PHE CB C 150 42.911 42.911 39.726 3.185 19045 12377 1 16 . 1 1 150 150 PHE H H 150 9.331 9.331 8.460 0.871 19045 12378 1 16 . 1 1 151 151 LEU N N 151 123.032 123.032 120.959 2.073 19045 12379 1 16 . 1 1 151 151 LEU HA H 151 3.859 3.859 3.991 -0.132 19045 12380 1 16 . 1 1 151 151 LEU CA C 151 58.454 58.454 58.301 0.153 19045 12381 1 16 . 1 1 151 151 LEU CB C 151 40.948 40.948 40.342 0.606 19045 12382 1 16 . 1 1 151 151 LEU H H 151 8.470 8.470 7.958 0.512 19045 12383 1 16 . 1 1 152 152 GLY N N 152 108.386 108.386 104.390 3.996 19045 12384 1 16 . 1 1 152 152 GLY CA C 152 46.676 46.676 47.054 -0.378 19045 12385 1 16 . 1 1 152 152 GLY H H 152 8.577 8.577 8.433 0.144 19045 12386 1 16 . 1 1 153 153 GLN N N 153 122.055 122.055 120.855 1.200 19045 12387 1 16 . 1 1 153 153 GLN HA H 153 3.532 3.532 3.413 0.119 19045 12388 1 16 . 1 1 153 153 GLN CA C 153 57.844 57.844 57.483 0.361 19045 12389 1 16 . 1 1 153 153 GLN CB C 153 26.442 26.442 26.989 -0.548 19045 12390 1 16 . 1 1 153 153 GLN H H 153 7.106 7.106 7.637 -0.531 19045 12391 1 16 . 1 1 154 154 VAL N N 154 116.706 116.706 119.541 -2.835 19045 12392 1 16 . 1 1 154 154 VAL HA H 154 2.428 2.428 3.461 -1.033 19045 12393 1 16 . 1 1 154 154 VAL CA C 154 66.089 66.089 66.659 -0.570 19045 12394 1 16 . 1 1 154 154 VAL CB C 154 31.463 31.463 31.185 0.278 19045 12395 1 16 . 1 1 154 154 VAL H H 154 7.033 7.033 7.899 -0.866 19045 12396 1 16 . 1 1 155 155 THR N N 155 114.165 114.165 115.639 -1.474 19045 12397 1 16 . 1 1 155 155 THR HA H 155 3.317 3.317 3.649 -0.332 19045 12398 1 16 . 1 1 155 155 THR CA C 155 67.050 67.050 66.800 0.250 19045 12399 1 16 . 1 1 155 155 THR CB C 155 68.307 68.307 68.273 0.034 19045 12400 1 16 . 1 1 155 155 THR H H 155 7.860 7.860 8.037 -0.177 19045 12401 1 16 . 1 1 156 156 ARG N N 156 119.890 119.890 121.179 -1.289 19045 12402 1 16 . 1 1 156 156 ARG HA H 156 3.769 3.769 3.931 -0.162 19045 12403 1 16 . 1 1 156 156 ARG CA C 156 58.769 58.769 58.750 0.019 19045 12404 1 16 . 1 1 156 156 ARG CB C 156 28.693 28.693 29.452 -0.759 19045 12405 1 16 . 1 1 156 156 ARG H H 156 7.019 7.019 7.758 -0.739 19045 12406 1 16 . 1 1 157 157 PHE N N 157 118.242 118.242 119.201 -0.959 19045 12407 1 16 . 1 1 157 157 PHE HA H 157 4.426 4.426 4.324 0.102 19045 12408 1 16 . 1 1 157 157 PHE CA C 157 56.928 56.928 60.635 -3.707 19045 12409 1 16 . 1 1 157 157 PHE CB C 157 35.794 35.794 37.793 -1.999 19045 12410 1 16 . 1 1 157 157 PHE H H 157 8.030 8.030 7.644 0.386 19045 12411 1 16 . 1 1 158 158 VAL N N 158 118.961 118.961 119.233 -0.272 19045 12412 1 16 . 1 1 158 158 VAL HA H 158 3.425 3.425 4.414 -0.989 19045 12413 1 16 . 1 1 158 158 VAL CA C 158 67.288 67.288 67.082 0.206 19045 12414 1 16 . 1 1 158 158 VAL CB C 158 31.554 31.554 30.774 0.780 19045 12415 1 16 . 1 1 158 158 VAL H H 158 7.607 7.607 8.042 -0.435 19045 12416 1 16 . 1 1 159 159 VAL N N 159 119.773 119.773 118.714 1.059 19045 12417 1 16 . 1 1 159 159 VAL HA H 159 3.358 3.358 3.508 -0.150 19045 12418 1 16 . 1 1 159 159 VAL CA C 159 67.570 67.570 66.113 1.457 19045 12419 1 16 . 1 1 159 159 VAL CB C 159 32.355 32.355 31.184 1.171 19045 12420 1 16 . 1 1 159 159 VAL H H 159 8.039 8.039 7.951 0.088 19045 12421 1 16 . 1 1 160 160 ASP N N 160 118.382 118.382 121.739 -3.357 19045 12422 1 16 . 1 1 160 160 ASP HA H 160 4.293 4.293 4.324 -0.031 19045 12423 1 16 . 1 1 160 160 ASP CA C 160 57.567 57.567 57.505 0.062 19045 12424 1 16 . 1 1 160 160 ASP CB C 160 41.474 41.474 41.042 0.432 19045 12425 1 16 . 1 1 160 160 ASP H H 160 8.752 8.752 8.041 0.711 19045 12426 1 16 . 1 1 161 161 PHE N N 161 119.972 119.972 118.126 1.846 19045 12427 1 16 . 1 1 161 161 PHE HA H 161 4.175 4.175 3.927 0.248 19045 12428 1 16 . 1 1 161 161 PHE CA C 161 62.688 62.688 59.676 3.012 19045 12429 1 16 . 1 1 161 161 PHE CB C 161 39.789 39.789 38.612 1.177 19045 12430 1 16 . 1 1 161 161 PHE H H 161 8.558 8.558 8.404 0.154 19045 12431 1 16 . 1 1 162 162 MET N N 162 116.261 116.261 119.655 -3.394 19045 12432 1 16 . 1 1 162 162 MET HA H 162 3.702 3.702 3.175 0.527 19045 12433 1 16 . 1 1 162 162 MET CA C 162 59.342 59.342 57.834 1.508 19045 12434 1 16 . 1 1 162 162 MET CB C 162 32.081 32.081 32.133 -0.052 19045 12435 1 16 . 1 1 162 162 MET H H 162 8.597 8.597 7.374 1.223 19045 12436 1 16 . 1 1 163 163 LEU N N 163 119.069 119.069 115.172 3.897 19045 12437 1 16 . 1 1 163 163 LEU HA H 163 3.952 3.952 3.996 -0.044 19045 12438 1 16 . 1 1 163 163 LEU CA C 163 57.856 57.856 56.824 1.032 19045 12439 1 16 . 1 1 163 163 LEU CB C 163 42.236 42.236 41.733 0.503 19045 12440 1 16 . 1 1 163 163 LEU H H 163 8.291 8.291 7.345 0.946 19045 12441 1 16 . 1 1 164 164 HIS N N 164 113.591 113.591 112.899 0.692 19045 12442 1 16 . 1 1 164 164 HIS HA H 164 4.430 4.430 4.784 -0.354 19045 12443 1 16 . 1 1 164 164 HIS CA C 164 57.289 57.289 54.619 2.670 19045 12444 1 16 . 1 1 164 164 HIS CB C 164 28.766 28.766 29.239 -0.473 19045 12445 1 16 . 1 1 164 164 HIS H H 164 8.111 8.111 6.993 1.118 19045 12446 1 16 . 1 1 165 165 HIS N N 165 115.730 115.730 120.612 -4.882 19045 12447 1 16 . 1 1 165 165 HIS HA H 165 4.602 4.602 4.692 -0.090 19045 12448 1 16 . 1 1 165 165 HIS CA C 165 54.752 54.752 56.334 -1.582 19045 12449 1 16 . 1 1 165 165 HIS CB C 165 26.766 26.766 31.016 -4.250 19045 12450 1 16 . 1 1 165 165 HIS H H 165 7.789 7.789 7.898 -0.109 19045 12451 1 16 . 1 1 166 166 CYS N N 166 109.533 109.533 115.167 -5.634 19045 12452 1 16 . 1 1 166 166 CYS HA H 166 4.274 4.274 4.058 0.216 19045 12453 1 16 . 1 1 166 166 CYS CA C 166 61.452 61.452 60.221 1.231 19045 12454 1 16 . 1 1 166 166 CYS CB C 166 25.215 25.215 25.753 -0.538 19045 12455 1 16 . 1 1 166 166 CYS H H 166 7.761 7.761 8.564 -0.803 19045 12456 1 16 . 1 1 167 167 ILE N N 167 119.980 119.980 121.130 -1.150 19045 12457 1 16 . 1 1 167 167 ILE HA H 167 3.563 3.563 3.794 -0.231 19045 12458 1 16 . 1 1 167 167 ILE CA C 167 62.212 62.212 63.091 -0.879 19045 12459 1 16 . 1 1 167 167 ILE CB C 167 35.969 35.969 36.941 -0.972 19045 12460 1 16 . 1 1 167 167 ILE H H 167 7.574 7.574 7.646 -0.072 19045 12461 1 16 . 1 1 168 168 ALA N N 168 121.737 121.737 122.282 -0.545 19045 12462 1 16 . 1 1 168 168 ALA HA H 168 3.775 3.775 3.885 -0.110 19045 12463 1 16 . 1 1 168 168 ALA CA C 168 55.082 55.082 55.824 -0.742 19045 12464 1 16 . 1 1 168 168 ALA CB C 168 16.505 16.505 18.097 -1.592 19045 12465 1 16 . 1 1 168 168 ALA H H 168 7.935 7.935 7.675 0.260 19045 12466 1 16 . 1 1 169 169 ARG N N 169 118.369 118.369 118.592 -0.223 19045 12467 1 16 . 1 1 169 169 ARG HA H 169 3.550 3.550 3.986 -0.436 19045 12468 1 16 . 1 1 169 169 ARG CA C 169 59.581 59.581 58.587 0.994 19045 12469 1 16 . 1 1 169 169 ARG CB C 169 29.380 29.380 29.264 0.116 19045 12470 1 16 . 1 1 169 169 ARG H H 169 7.936 7.936 8.518 -0.582 19045 12471 1 16 . 1 1 170 170 TRP N N 170 121.173 121.173 121.616 -0.443 19045 12472 1 16 . 1 1 170 170 TRP HA H 170 3.763 3.763 4.216 -0.453 19045 12473 1 16 . 1 1 170 170 TRP CA C 170 62.080 62.080 60.803 1.277 19045 12474 1 16 . 1 1 170 170 TRP CB C 170 29.423 29.423 29.134 0.289 19045 12475 1 16 . 1 1 170 170 TRP H H 170 7.259 7.259 7.345 -0.086 19045 12476 1 16 . 1 1 171 171 ILE N N 171 117.994 117.994 118.372 -0.378 19045 12477 1 16 . 1 1 171 171 ILE HA H 171 2.864 2.864 3.011 -0.147 19045 12478 1 16 . 1 1 171 171 ILE CA C 171 65.347 65.347 64.683 0.664 19045 12479 1 16 . 1 1 171 171 ILE CB C 171 37.781 37.781 37.475 0.306 19045 12480 1 16 . 1 1 171 171 ILE H H 171 8.074 8.074 8.355 -0.281 19045 12481 1 16 . 1 1 172 172 ALA N N 172 123.588 123.588 120.903 2.685 19045 12482 1 16 . 1 1 172 172 ALA HA H 172 3.506 3.506 3.882 -0.376 19045 12483 1 16 . 1 1 172 172 ALA CA C 172 55.685 55.685 54.922 0.763 19045 12484 1 16 . 1 1 172 172 ALA CB C 172 17.050 17.050 18.333 -1.283 19045 12485 1 16 . 1 1 172 172 ALA H H 172 8.511 8.511 7.860 0.651 19045 12486 1 16 . 1 1 173 173 GLN N N 173 117.382 117.382 115.742 1.640 19045 12487 1 16 . 1 1 173 173 GLN HA H 173 3.854 3.854 4.007 -0.153 19045 12488 1 16 . 1 1 173 173 GLN CA C 173 57.904 57.904 57.524 0.380 19045 12489 1 16 . 1 1 173 173 GLN CB C 173 28.141 28.141 28.382 -0.241 19045 12490 1 16 . 1 1 173 173 GLN H H 173 7.898 7.898 7.620 0.278 19045 12491 1 16 . 1 1 174 174 ARG N N 174 116.800 116.800 115.754 1.046 19045 12492 1 16 . 1 1 174 174 ARG HA H 174 4.097 4.097 4.031 0.066 19045 12493 1 16 . 1 1 174 174 ARG CA C 174 55.395 55.395 55.751 -0.356 19045 12494 1 16 . 1 1 174 174 ARG CB C 174 29.652 29.652 29.972 -0.320 19045 12495 1 16 . 1 1 174 174 ARG H H 174 6.984 6.984 7.360 -0.376 19045 12496 1 16 . 1 1 175 175 GLY N N 175 104.194 104.194 106.291 -2.097 19045 12497 1 16 . 1 1 175 175 GLY CA C 175 44.340 44.340 44.622 -0.282 19045 12498 1 16 . 1 1 175 175 GLY H H 175 7.418 7.418 7.163 0.255 19045 12499 1 16 . 1 1 176 176 GLY N N 176 107.629 107.629 107.554 0.075 19045 12500 1 16 . 1 1 176 176 GLY CA C 176 43.501 43.501 44.927 -1.426 19045 12501 1 16 . 1 1 176 176 GLY H H 176 8.072 8.072 7.633 0.439 19045 12502 1 16 . 1 1 177 177 TRP N N 177 117.887 117.887 121.624 -3.737 19045 12503 1 16 . 1 1 177 177 TRP HA H 177 4.476 4.476 4.757 -0.281 19045 12504 1 16 . 1 1 177 177 TRP CA C 177 61.083 61.083 59.507 1.576 19045 12505 1 16 . 1 1 177 177 TRP CB C 177 30.927 30.927 29.496 1.431 19045 12506 1 16 . 1 1 177 177 TRP H H 177 8.218 8.218 8.834 -0.616 19045 12507 1 16 . 1 1 178 178 VAL N N 178 112.929 112.929 119.977 -7.048 19045 12508 1 16 . 1 1 178 178 VAL HA H 178 3.688 3.688 3.785 -0.097 19045 12509 1 16 . 1 1 178 178 VAL CA C 178 64.680 64.680 64.659 0.021 19045 12510 1 16 . 1 1 178 178 VAL CB C 178 31.057 31.057 31.086 -0.029 19045 12511 1 16 . 1 1 178 178 VAL H H 178 8.284 8.284 7.809 0.475 19045 12512 1 16 . 1 1 179 179 ALA N N 179 125.101 125.101 121.298 3.803 19045 12513 1 16 . 1 1 179 179 ALA HA H 179 4.009 4.009 4.494 -0.485 19045 12514 1 16 . 1 1 179 179 ALA CA C 179 54.344 54.344 52.081 2.263 19045 12515 1 16 . 1 1 179 179 ALA CB C 179 18.555 18.555 18.733 -0.178 19045 12516 1 16 . 1 1 179 179 ALA H H 179 7.670 7.670 7.759 -0.089 19045 12517 1 16 . 1 1 180 180 ALA N N 180 119.081 119.081 122.884 -3.803 19045 12518 1 16 . 1 1 180 180 ALA HA H 180 3.293 3.293 3.600 -0.307 19045 12519 1 16 . 1 1 180 180 ALA CA C 180 52.783 52.783 54.267 -1.484 19045 12520 1 16 . 1 1 180 180 ALA CB C 180 18.113 18.113 19.110 -0.997 19045 12521 1 16 . 1 1 180 180 ALA H H 180 8.058 8.058 7.625 0.433 19045 12522 1 16 . 1 1 181 181 LEU N N 181 114.169 114.169 112.370 1.799 19045 12523 1 16 . 1 1 181 181 LEU HA H 181 3.911 3.911 4.329 -0.418 19045 12524 1 16 . 1 1 181 181 LEU CA C 181 56.128 56.128 55.422 0.706 19045 12525 1 16 . 1 1 181 181 LEU CB C 181 40.955 40.955 40.393 0.562 19045 12526 1 16 . 1 1 181 181 LEU H H 181 7.342 7.342 8.048 -0.706 19045 12527 1 16 . 1 1 182 182 ASN N N 182 115.061 115.061 116.626 -1.565 19045 12528 1 16 . 1 1 182 182 ASN HA H 182 4.743 4.743 4.726 0.017 19045 12529 1 16 . 1 1 182 182 ASN CA C 182 52.508 52.508 52.847 -0.339 19045 12530 1 16 . 1 1 182 182 ASN CB C 182 39.091 39.091 39.706 -0.615 19045 12531 1 16 . 1 1 182 182 ASN H H 182 7.289 7.289 7.324 -0.035 19045 12532 1 16 . 1 1 183 183 LEU N N 183 119.889 119.889 119.810 0.079 19045 12533 1 16 . 1 1 183 183 LEU HA H 183 4.125 4.125 4.389 -0.264 19045 12534 1 16 . 1 1 183 183 LEU CA C 183 55.201 55.201 54.938 0.263 19045 12535 1 16 . 1 1 183 183 LEU CB C 183 42.174 42.174 42.312 -0.138 19045 12536 1 16 . 1 1 183 183 LEU H H 183 7.148 7.148 7.221 -0.073 19045 12537 1 16 . 1 1 184 184 GLY N N 184 107.883 107.883 108.610 -0.727 19045 12538 1 16 . 1 1 184 184 GLY CA C 184 45.256 45.256 46.930 -1.674 19045 12539 1 16 . 1 1 184 184 GLY H H 184 8.486 8.486 8.507 -0.021 19045 12540 1 16 . 1 1 185 185 ASN N N 185 118.093 118.093 123.453 -5.360 19045 12541 1 16 . 1 1 185 185 ASN HA H 185 4.755 4.755 4.862 -0.107 19045 12542 1 16 . 1 1 185 185 ASN CA C 185 52.812 52.812 52.326 0.486 19045 12543 1 16 . 1 1 185 185 ASN CB C 185 39.297 39.297 39.104 0.193 19045 12544 1 16 . 1 1 185 185 ASN H H 185 8.074 8.074 8.511 -0.437 19045 12545 1 17 . 1 1 19 19 LEU N N 19 122.834 122.834 122.996 -0.162 19045 12546 1 17 . 1 1 19 19 LEU HA H 19 4.523 4.523 4.810 -0.287 19045 12547 1 17 . 1 1 19 19 LEU CA C 19 52.690 52.690 53.653 -0.963 19045 12548 1 17 . 1 1 19 19 LEU CB C 19 41.808 41.808 40.941 0.868 19045 12549 1 17 . 1 1 19 19 LEU H H 19 8.080 8.080 7.792 0.288 19045 12550 1 17 . 1 1 20 20 PRO HA H 20 4.353 4.353 4.599 -0.246 19045 12551 1 17 . 1 1 20 20 PRO CA C 20 62.826 62.826 62.387 0.439 19045 12552 1 17 . 1 1 20 20 PRO CB C 20 31.969 31.969 32.416 -0.447 19045 12553 1 17 . 1 1 21 21 SER N N 21 116.268 116.268 112.378 3.890 19045 12554 1 17 . 1 1 21 21 SER HA H 21 4.249 4.249 4.917 -0.668 19045 12555 1 17 . 1 1 21 21 SER CA C 21 58.338 58.338 56.483 1.855 19045 12556 1 17 . 1 1 21 21 SER CB C 21 63.856 63.856 65.322 -1.466 19045 12557 1 17 . 1 1 21 21 SER H H 21 8.246 8.246 8.143 0.103 19045 12558 1 17 . 1 1 22 22 ALA N N 22 125.246 125.246 124.829 0.417 19045 12559 1 17 . 1 1 22 22 ALA HA H 22 4.405 4.405 4.448 -0.043 19045 12560 1 17 . 1 1 22 22 ALA CA C 22 52.086 52.086 51.176 0.910 19045 12561 1 17 . 1 1 22 22 ALA CB C 22 19.582 19.582 19.608 -0.026 19045 12562 1 17 . 1 1 22 22 ALA H H 22 8.192 8.192 7.990 0.202 19045 12563 1 17 . 1 1 23 23 SER N N 23 114.236 114.236 113.727 0.509 19045 12564 1 17 . 1 1 23 23 SER HA H 23 4.469 4.469 4.611 -0.142 19045 12565 1 17 . 1 1 23 23 SER CA C 23 57.386 57.386 57.439 -0.053 19045 12566 1 17 . 1 1 23 23 SER CB C 23 64.582 64.582 66.123 -1.541 19045 12567 1 17 . 1 1 23 23 SER H H 23 8.081 8.081 8.132 -0.051 19045 12568 1 17 . 1 1 24 24 GLU N N 24 124.005 124.005 124.800 -0.795 19045 12569 1 17 . 1 1 24 24 GLU HA H 24 3.534 3.534 3.796 -0.262 19045 12570 1 17 . 1 1 24 24 GLU CA C 24 59.772 59.772 60.006 -0.234 19045 12571 1 17 . 1 1 24 24 GLU CB C 24 29.798 29.798 28.689 1.109 19045 12572 1 17 . 1 1 24 24 GLU H H 24 8.702 8.702 9.104 -0.402 19045 12573 1 17 . 1 1 25 25 GLU N N 25 118.390 118.390 118.084 0.306 19045 12574 1 17 . 1 1 25 25 GLU HA H 25 3.796 3.796 3.958 -0.162 19045 12575 1 17 . 1 1 25 25 GLU CA C 25 59.939 59.939 59.029 0.910 19045 12576 1 17 . 1 1 25 25 GLU CB C 25 29.217 29.217 28.762 0.455 19045 12577 1 17 . 1 1 25 25 GLU H H 25 8.559 8.559 8.786 -0.227 19045 12578 1 17 . 1 1 26 26 GLN N N 26 120.776 120.776 119.566 1.210 19045 12579 1 17 . 1 1 26 26 GLN HA H 26 3.916 3.916 4.206 -0.290 19045 12580 1 17 . 1 1 26 26 GLN CA C 26 58.343 58.343 58.188 0.155 19045 12581 1 17 . 1 1 26 26 GLN CB C 26 28.119 28.119 28.378 -0.259 19045 12582 1 17 . 1 1 26 26 GLN H H 26 7.764 7.764 7.478 0.286 19045 12583 1 17 . 1 1 27 27 VAL N N 27 118.723 118.723 121.684 -2.961 19045 12584 1 17 . 1 1 27 27 VAL HA H 27 3.933 3.933 3.800 0.133 19045 12585 1 17 . 1 1 27 27 VAL CA C 27 66.285 66.285 66.655 -0.370 19045 12586 1 17 . 1 1 27 27 VAL CB C 27 31.596 31.596 31.506 0.090 19045 12587 1 17 . 1 1 27 27 VAL H H 27 8.062 8.062 8.425 -0.363 19045 12588 1 17 . 1 1 28 28 ALA N N 28 122.902 122.902 122.502 0.400 19045 12589 1 17 . 1 1 28 28 ALA HA H 28 4.026 4.026 3.982 0.044 19045 12590 1 17 . 1 1 28 28 ALA CA C 28 56.178 56.178 55.786 0.392 19045 12591 1 17 . 1 1 28 28 ALA CB C 28 18.463 18.463 18.215 0.248 19045 12592 1 17 . 1 1 28 28 ALA H H 28 8.412 8.412 8.176 0.236 19045 12593 1 17 . 1 1 29 29 GLN N N 29 117.996 117.996 117.368 0.628 19045 12594 1 17 . 1 1 29 29 GLN HA H 29 4.084 4.084 4.084 0.000 19045 12595 1 17 . 1 1 29 29 GLN CA C 29 59.063 59.063 58.719 0.344 19045 12596 1 17 . 1 1 29 29 GLN CB C 29 28.452 28.452 28.282 0.170 19045 12597 1 17 . 1 1 29 29 GLN H H 29 7.900 7.900 7.769 0.131 19045 12598 1 17 . 1 1 30 30 ASP N N 30 121.907 121.907 120.291 1.616 19045 12599 1 17 . 1 1 30 30 ASP HA H 30 4.521 4.521 4.404 0.117 19045 12600 1 17 . 1 1 30 30 ASP CA C 30 57.038 57.038 57.141 -0.103 19045 12601 1 17 . 1 1 30 30 ASP CB C 30 41.939 41.939 40.331 1.608 19045 12602 1 17 . 1 1 30 30 ASP H H 30 8.888 8.888 8.276 0.612 19045 12603 1 17 . 1 1 31 31 THR N N 31 114.861 114.861 116.385 -1.524 19045 12604 1 17 . 1 1 31 31 THR HA H 31 3.493 3.493 3.212 0.281 19045 12605 1 17 . 1 1 31 31 THR CA C 31 66.946 66.946 66.604 0.342 19045 12606 1 17 . 1 1 31 31 THR CB C 31 68.523 68.523 68.946 -0.423 19045 12607 1 17 . 1 1 31 31 THR H H 31 8.069 8.069 8.047 0.022 19045 12608 1 17 . 1 1 32 32 GLU N N 32 120.848 120.848 120.895 -0.047 19045 12609 1 17 . 1 1 32 32 GLU HA H 32 3.597 3.597 3.818 -0.221 19045 12610 1 17 . 1 1 32 32 GLU CA C 32 60.899 60.899 59.702 1.197 19045 12611 1 17 . 1 1 32 32 GLU CB C 32 28.963 28.963 28.611 0.352 19045 12612 1 17 . 1 1 32 32 GLU H H 32 7.578 7.578 8.123 -0.545 19045 12613 1 17 . 1 1 33 33 GLU N N 33 117.741 117.741 119.968 -2.227 19045 12614 1 17 . 1 1 33 33 GLU HA H 33 3.938 3.938 4.073 -0.135 19045 12615 1 17 . 1 1 33 33 GLU CA C 33 58.768 58.768 59.139 -0.371 19045 12616 1 17 . 1 1 33 33 GLU CB C 33 29.708 29.708 29.516 0.192 19045 12617 1 17 . 1 1 33 33 GLU H H 33 7.446 7.446 7.968 -0.522 19045 12618 1 17 . 1 1 34 34 VAL N N 34 120.239 120.239 119.776 0.463 19045 12619 1 17 . 1 1 34 34 VAL HA H 34 3.108 3.108 3.771 -0.663 19045 12620 1 17 . 1 1 34 34 VAL CA C 34 66.979 66.979 65.146 1.833 19045 12621 1 17 . 1 1 34 34 VAL CB C 34 31.884 31.884 30.882 1.002 19045 12622 1 17 . 1 1 34 34 VAL H H 34 7.792 7.792 7.791 0.001 19045 12623 1 17 . 1 1 35 35 PHE N N 35 117.559 117.559 121.027 -3.468 19045 12624 1 17 . 1 1 35 35 PHE HA H 35 4.209 4.209 4.089 0.120 19045 12625 1 17 . 1 1 35 35 PHE CA C 35 61.592 61.592 62.099 -0.507 19045 12626 1 17 . 1 1 35 35 PHE CB C 35 39.066 39.066 39.151 -0.085 19045 12627 1 17 . 1 1 35 35 PHE H H 35 8.895 8.895 8.413 0.482 19045 12628 1 17 . 1 1 36 36 ARG N N 36 116.705 116.705 118.793 -2.088 19045 12629 1 17 . 1 1 36 36 ARG HA H 36 3.555 3.555 3.810 -0.255 19045 12630 1 17 . 1 1 36 36 ARG CA C 36 59.906 59.906 59.488 0.418 19045 12631 1 17 . 1 1 36 36 ARG CB C 36 29.654 29.654 29.843 -0.189 19045 12632 1 17 . 1 1 36 36 ARG H H 36 8.182 8.182 8.249 -0.067 19045 12633 1 17 . 1 1 37 37 SER N N 37 112.628 112.628 115.348 -2.720 19045 12634 1 17 . 1 1 37 37 SER HA H 37 4.122 4.122 4.224 -0.102 19045 12635 1 17 . 1 1 37 37 SER CA C 37 61.258 61.258 61.535 -0.278 19045 12636 1 17 . 1 1 37 37 SER CB C 37 63.089 63.089 63.410 -0.321 19045 12637 1 17 . 1 1 37 37 SER H H 37 7.845 7.845 8.218 -0.373 19045 12638 1 17 . 1 1 38 38 TYR N N 38 122.458 122.458 125.086 -2.628 19045 12639 1 17 . 1 1 38 38 TYR HA H 38 3.927 3.927 4.487 -0.560 19045 12640 1 17 . 1 1 38 38 TYR CA C 38 62.006 62.006 61.628 0.378 19045 12641 1 17 . 1 1 38 38 TYR CB C 38 38.892 38.892 38.776 0.116 19045 12642 1 17 . 1 1 38 38 TYR H H 38 8.793 8.793 8.300 0.493 19045 12643 1 17 . 1 1 39 39 VAL N N 39 115.951 115.951 117.325 -1.374 19045 12644 1 17 . 1 1 39 39 VAL HA H 39 3.209 3.209 3.345 -0.136 19045 12645 1 17 . 1 1 39 39 VAL CA C 39 65.982 65.982 65.035 0.947 19045 12646 1 17 . 1 1 39 39 VAL CB C 39 30.884 30.884 30.382 0.502 19045 12647 1 17 . 1 1 39 39 VAL H H 39 8.348 8.348 8.088 0.260 19045 12648 1 17 . 1 1 40 40 PHE N N 40 119.608 119.608 121.380 -1.772 19045 12649 1 17 . 1 1 40 40 PHE HA H 40 3.915 3.915 3.972 -0.057 19045 12650 1 17 . 1 1 40 40 PHE CA C 40 61.651 61.651 61.553 0.098 19045 12651 1 17 . 1 1 40 40 PHE CB C 40 39.411 39.411 39.395 0.016 19045 12652 1 17 . 1 1 40 40 PHE H H 40 7.596 7.596 7.935 -0.339 19045 12653 1 17 . 1 1 41 41 TYR N N 41 117.686 117.686 119.733 -2.047 19045 12654 1 17 . 1 1 41 41 TYR HA H 41 3.818 3.818 3.796 0.022 19045 12655 1 17 . 1 1 41 41 TYR CA C 41 63.446 63.446 62.125 1.321 19045 12656 1 17 . 1 1 41 41 TYR CB C 41 37.528 37.528 38.260 -0.732 19045 12657 1 17 . 1 1 41 41 TYR H H 41 8.578 8.578 8.043 0.535 19045 12658 1 17 . 1 1 42 42 ARG N N 42 121.382 121.382 119.534 1.848 19045 12659 1 17 . 1 1 42 42 ARG HA H 42 3.581 3.581 4.136 -0.555 19045 12660 1 17 . 1 1 42 42 ARG CA C 42 57.999 57.999 59.001 -1.002 19045 12661 1 17 . 1 1 42 42 ARG CB C 42 26.992 26.992 30.146 -3.154 19045 12662 1 17 . 1 1 42 42 ARG H H 42 8.784 8.784 7.866 0.918 19045 12663 1 17 . 1 1 43 43 HIS N N 43 118.684 118.684 118.133 0.551 19045 12664 1 17 . 1 1 43 43 HIS HA H 43 4.291 4.291 4.243 0.048 19045 12665 1 17 . 1 1 43 43 HIS CA C 43 60.041 60.041 59.198 0.843 19045 12666 1 17 . 1 1 43 43 HIS CB C 43 27.938 27.938 29.314 -1.376 19045 12667 1 17 . 1 1 43 43 HIS H H 43 8.268 8.268 8.077 0.191 19045 12668 1 17 . 1 1 44 44 GLN N N 44 117.841 117.841 119.000 -1.159 19045 12669 1 17 . 1 1 44 44 GLN HA H 44 3.638 3.638 3.643 -0.005 19045 12670 1 17 . 1 1 44 44 GLN CA C 44 58.681 58.681 59.736 -1.055 19045 12671 1 17 . 1 1 44 44 GLN CB C 44 28.977 28.977 27.953 1.024 19045 12672 1 17 . 1 1 44 44 GLN H H 44 7.722 7.722 7.922 -0.200 19045 12673 1 17 . 1 1 45 45 GLN N N 45 117.756 117.756 118.115 -0.359 19045 12674 1 17 . 1 1 45 45 GLN HA H 45 3.932 3.932 4.016 -0.084 19045 12675 1 17 . 1 1 45 45 GLN CA C 45 57.923 57.923 58.657 -0.734 19045 12676 1 17 . 1 1 45 45 GLN CB C 45 28.039 28.039 28.253 -0.214 19045 12677 1 17 . 1 1 45 45 GLN H H 45 7.808 7.808 7.654 0.154 19045 12678 1 17 . 1 1 46 46 GLU N N 46 119.876 119.876 119.745 0.131 19045 12679 1 17 . 1 1 46 46 GLU HA H 46 3.951 3.951 3.909 0.042 19045 12680 1 17 . 1 1 46 46 GLU CA C 46 58.956 58.956 59.484 -0.528 19045 12681 1 17 . 1 1 46 46 GLU CB C 46 29.166 29.166 29.226 -0.060 19045 12682 1 17 . 1 1 46 46 GLU H H 46 7.781 7.781 7.483 0.298 19045 12683 1 17 . 1 1 47 47 GLN N N 47 118.282 118.282 116.225 2.057 19045 12684 1 17 . 1 1 47 47 GLN HA H 47 3.800 3.800 4.198 -0.398 19045 12685 1 17 . 1 1 47 47 GLN CA C 47 57.892 57.892 58.110 -0.218 19045 12686 1 17 . 1 1 47 47 GLN CB C 47 28.662 28.662 28.794 -0.132 19045 12687 1 17 . 1 1 47 47 GLN H H 47 7.775 7.775 7.683 0.092 19045 12688 1 17 . 1 1 48 48 GLU N N 48 118.519 118.519 118.509 0.010 19045 12689 1 17 . 1 1 48 48 GLU HA H 48 4.009 4.009 4.117 -0.108 19045 12690 1 17 . 1 1 48 48 GLU CA C 48 57.586 57.586 58.342 -0.756 19045 12691 1 17 . 1 1 48 48 GLU CB C 48 28.922 28.922 29.351 -0.429 19045 12692 1 17 . 1 1 48 48 GLU H H 48 7.721 7.721 7.503 0.218 19045 12693 1 17 . 1 1 49 49 ALA N N 49 121.657 121.657 122.027 -0.370 19045 12694 1 17 . 1 1 49 49 ALA HA H 49 4.140 4.140 4.120 0.020 19045 12695 1 17 . 1 1 49 49 ALA CA C 49 53.389 53.389 53.913 -0.524 19045 12696 1 17 . 1 1 49 49 ALA CB C 49 19.111 19.111 19.361 -0.250 19045 12697 1 17 . 1 1 49 49 ALA H H 49 7.675 7.675 7.466 0.209 19045 12698 1 17 . 1 1 50 50 GLU N N 50 116.803 116.803 114.029 2.774 19045 12699 1 17 . 1 1 50 50 GLU HA H 50 4.182 4.182 4.581 -0.399 19045 12700 1 17 . 1 1 50 50 GLU CA C 50 56.420 56.420 54.542 1.878 19045 12701 1 17 . 1 1 50 50 GLU CB C 50 29.798 29.798 31.871 -2.073 19045 12702 1 17 . 1 1 50 50 GLU H H 50 8.106 8.106 7.918 0.188 19045 12703 1 17 . 1 1 51 51 GLY N N 51 109.812 109.812 106.431 3.381 19045 12704 1 17 . 1 1 51 51 GLY CA C 51 45.739 45.739 44.949 0.790 19045 12705 1 17 . 1 1 51 51 GLY H H 51 8.060 8.060 8.562 -0.502 19045 12706 1 17 . 1 1 52 52 VAL N N 52 118.668 118.668 115.967 2.701 19045 12707 1 17 . 1 1 52 52 VAL HA H 52 4.001 4.001 4.361 -0.360 19045 12708 1 17 . 1 1 52 52 VAL CA C 52 62.175 62.175 61.652 0.523 19045 12709 1 17 . 1 1 52 52 VAL CB C 52 32.294 32.294 32.450 -0.156 19045 12710 1 17 . 1 1 52 52 VAL H H 52 7.718 7.718 7.458 0.260 19045 12711 1 17 . 1 1 53 53 ALA N N 53 125.624 125.624 124.580 1.044 19045 12712 1 17 . 1 1 53 53 ALA HA H 53 4.220 4.220 3.953 0.267 19045 12713 1 17 . 1 1 53 53 ALA CA C 53 51.869 51.869 52.461 -0.592 19045 12714 1 17 . 1 1 53 53 ALA CB C 53 19.065 19.065 17.356 1.709 19045 12715 1 17 . 1 1 53 53 ALA H H 53 8.073 8.073 8.717 -0.644 19045 12716 1 17 . 1 1 54 54 ALA N N 54 123.638 123.638 122.025 1.613 19045 12717 1 17 . 1 1 54 54 ALA HA H 54 4.472 4.472 4.690 -0.218 19045 12718 1 17 . 1 1 54 54 ALA CA C 54 49.869 49.869 50.327 -0.458 19045 12719 1 17 . 1 1 54 54 ALA CB C 54 18.488 18.488 19.487 -0.999 19045 12720 1 17 . 1 1 54 54 ALA H H 54 7.718 7.718 7.730 -0.012 19045 12721 1 17 . 1 1 55 55 PRO HA H 55 4.292 4.292 4.686 -0.394 19045 12722 1 17 . 1 1 55 55 PRO CA C 55 62.966 62.966 62.979 -0.013 19045 12723 1 17 . 1 1 55 55 PRO CB C 55 31.754 31.754 32.562 -0.808 19045 12724 1 17 . 1 1 56 56 ALA N N 56 124.218 124.218 123.781 0.437 19045 12725 1 17 . 1 1 56 56 ALA HA H 56 4.220 4.220 4.578 -0.358 19045 12726 1 17 . 1 1 56 56 ALA CB C 56 19.119 19.119 20.624 -1.505 19045 12727 1 17 . 1 1 56 56 ALA H H 56 8.259 8.259 8.485 -0.226 19045 12728 1 17 . 1 1 57 57 ASP N N 57 120.884 120.884 120.067 0.817 19045 12729 1 17 . 1 1 57 57 ASP HA H 57 4.572 4.572 5.007 -0.435 19045 12730 1 17 . 1 1 57 57 ASP CA C 57 52.742 52.742 52.604 0.138 19045 12731 1 17 . 1 1 57 57 ASP CB C 57 41.642 41.642 41.647 -0.005 19045 12732 1 17 . 1 1 57 57 ASP H H 57 7.829 7.829 8.517 -0.688 19045 12733 1 17 . 1 1 58 58 PRO HA H 58 4.052 4.052 4.446 -0.394 19045 12734 1 17 . 1 1 58 58 PRO CA C 58 64.128 64.128 63.873 0.255 19045 12735 1 17 . 1 1 58 58 PRO CB C 58 31.989 31.989 32.481 -0.492 19045 12736 1 17 . 1 1 59 59 GLU HA H 59 4.549 4.549 4.392 0.157 19045 12737 1 17 . 1 1 59 59 GLU CA C 59 54.266 54.266 55.093 -0.827 19045 12738 1 17 . 1 1 59 59 GLU CB C 59 29.285 29.285 30.978 -1.693 19045 12739 1 17 . 1 1 60 60 MET HA H 60 3.846 3.846 4.394 -0.548 19045 12740 1 17 . 1 1 60 60 MET CA C 60 57.219 57.219 57.886 -0.667 19045 12741 1 17 . 1 1 60 60 MET CB C 60 31.894 31.894 32.727 -0.833 19045 12742 1 17 . 1 1 60 60 MET H H 60 7.070 7.070 8.466 -1.396 19045 12743 1 17 . 1 1 61 61 VAL N N 61 113.014 113.014 119.500 -6.486 19045 12744 1 17 . 1 1 61 61 VAL HA H 61 4.051 4.051 3.779 0.273 19045 12745 1 17 . 1 1 61 61 VAL CA C 61 62.799 62.799 65.209 -2.410 19045 12746 1 17 . 1 1 61 61 VAL CB C 61 31.993 31.993 30.614 1.379 19045 12747 1 17 . 1 1 61 61 VAL H H 61 6.833 6.833 8.134 -1.301 19045 12748 1 17 . 1 1 62 62 THR N N 62 110.188 110.188 112.308 -2.120 19045 12749 1 17 . 1 1 62 62 THR HA H 62 4.230 4.230 4.066 0.164 19045 12750 1 17 . 1 1 62 62 THR CA C 62 60.947 60.947 64.385 -3.438 19045 12751 1 17 . 1 1 62 62 THR CB C 62 69.192 69.192 68.991 0.201 19045 12752 1 17 . 1 1 62 62 THR H H 62 7.101 7.101 7.666 -0.565 19045 12753 1 17 . 1 1 63 63 LEU N N 63 125.158 125.158 122.713 2.445 19045 12754 1 17 . 1 1 63 63 LEU HA H 63 4.205 4.205 4.884 -0.679 19045 12755 1 17 . 1 1 63 63 LEU CA C 63 52.688 52.688 51.420 1.268 19045 12756 1 17 . 1 1 63 63 LEU CB C 63 42.252 42.252 43.640 -1.388 19045 12757 1 17 . 1 1 63 63 LEU H H 63 7.079 7.079 7.682 -0.603 19045 12758 1 17 . 1 1 64 64 PRO HA H 64 4.282 4.282 4.435 -0.153 19045 12759 1 17 . 1 1 64 64 PRO CA C 64 62.613 62.613 62.514 0.099 19045 12760 1 17 . 1 1 64 64 PRO CB C 64 30.705 30.705 30.128 0.577 19045 12761 1 17 . 1 1 65 65 LEU N N 65 122.384 122.384 122.964 -0.580 19045 12762 1 17 . 1 1 65 65 LEU HA H 65 4.234 4.234 4.351 -0.117 19045 12763 1 17 . 1 1 65 65 LEU CA C 65 54.499 54.499 54.645 -0.146 19045 12764 1 17 . 1 1 65 65 LEU CB C 65 43.438 43.438 43.576 -0.138 19045 12765 1 17 . 1 1 65 65 LEU H H 65 7.653 7.653 7.741 -0.088 19045 12766 1 17 . 1 1 66 66 GLN N N 66 121.802 121.802 123.049 -1.247 19045 12767 1 17 . 1 1 66 66 GLN HA H 66 4.209 4.209 4.734 -0.525 19045 12768 1 17 . 1 1 66 66 GLN CA C 66 52.783 52.783 52.900 -0.117 19045 12769 1 17 . 1 1 66 66 GLN CB C 66 28.136 28.136 28.596 -0.460 19045 12770 1 17 . 1 1 66 66 GLN H H 66 8.634 8.634 8.645 -0.011 19045 12771 1 17 . 1 1 67 67 PRO HA H 67 4.139 4.139 4.454 -0.315 19045 12772 1 17 . 1 1 67 67 PRO CA C 67 64.488 64.488 63.776 0.712 19045 12773 1 17 . 1 1 67 67 PRO CB C 67 32.003 32.003 31.832 0.171 19045 12774 1 17 . 1 1 68 68 SER N N 68 111.024 111.024 112.410 -1.386 19045 12775 1 17 . 1 1 68 68 SER HA H 68 4.313 4.313 4.524 -0.211 19045 12776 1 17 . 1 1 68 68 SER CA C 68 57.991 57.991 58.177 -0.186 19045 12777 1 17 . 1 1 68 68 SER CB C 68 63.252 63.252 63.245 0.007 19045 12778 1 17 . 1 1 68 68 SER H H 68 8.119 8.119 8.266 -0.147 19045 12779 1 17 . 1 1 69 69 SER N N 69 117.598 117.598 117.915 -0.317 19045 12780 1 17 . 1 1 69 69 SER HA H 69 4.440 4.440 4.853 -0.413 19045 12781 1 17 . 1 1 69 69 SER CA C 69 57.518 57.518 57.457 0.061 19045 12782 1 17 . 1 1 69 69 SER CB C 69 64.587 64.587 65.388 -0.801 19045 12783 1 17 . 1 1 69 69 SER H H 69 7.723 7.723 7.609 0.114 19045 12784 1 17 . 1 1 70 70 THR N N 70 121.887 121.887 118.818 3.069 19045 12785 1 17 . 1 1 70 70 THR HA H 70 3.873 3.873 4.131 -0.258 19045 12786 1 17 . 1 1 70 70 THR CA C 70 66.723 66.723 65.702 1.021 19045 12787 1 17 . 1 1 70 70 THR CB C 70 68.385 68.385 68.823 -0.438 19045 12788 1 17 . 1 1 70 70 THR H H 70 8.827 8.827 8.767 0.060 19045 12789 1 17 . 1 1 71 71 MET N N 71 117.344 117.344 119.443 -2.099 19045 12790 1 17 . 1 1 71 71 MET HA H 71 4.469 4.469 4.139 0.330 19045 12791 1 17 . 1 1 71 71 MET CA C 71 56.260 56.260 59.450 -3.189 19045 12792 1 17 . 1 1 71 71 MET CB C 71 31.696 31.696 31.733 -0.037 19045 12793 1 17 . 1 1 71 71 MET H H 71 8.454 8.454 8.359 0.095 19045 12794 1 17 . 1 1 72 72 GLY N N 72 108.884 108.884 105.909 2.975 19045 12795 1 17 . 1 1 72 72 GLY CA C 72 46.884 46.884 47.523 -0.639 19045 12796 1 17 . 1 1 72 72 GLY H H 72 7.979 7.979 8.113 -0.134 19045 12797 1 17 . 1 1 73 73 GLN N N 73 121.522 121.522 121.346 0.176 19045 12798 1 17 . 1 1 73 73 GLN HA H 73 3.857 3.857 4.095 -0.238 19045 12799 1 17 . 1 1 73 73 GLN CA C 73 58.220 58.220 58.352 -0.132 19045 12800 1 17 . 1 1 73 73 GLN CB C 73 28.309 28.309 28.263 0.046 19045 12801 1 17 . 1 1 73 73 GLN H H 73 7.859 7.859 7.686 0.173 19045 12802 1 17 . 1 1 74 74 VAL N N 74 121.291 121.291 121.382 -0.091 19045 12803 1 17 . 1 1 74 74 VAL HA H 74 3.359 3.359 3.692 -0.333 19045 12804 1 17 . 1 1 74 74 VAL CA C 74 67.150 67.150 66.325 0.825 19045 12805 1 17 . 1 1 74 74 VAL CB C 74 31.249 31.249 31.029 0.220 19045 12806 1 17 . 1 1 74 74 VAL H H 74 8.155 8.155 7.874 0.281 19045 12807 1 17 . 1 1 75 75 GLY N N 75 105.037 105.037 106.704 -1.667 19045 12808 1 17 . 1 1 75 75 GLY CA C 75 48.385 48.385 47.351 1.034 19045 12809 1 17 . 1 1 75 75 GLY H H 75 8.154 8.154 8.618 -0.464 19045 12810 1 17 . 1 1 76 76 ARG N N 76 119.292 119.292 121.421 -2.129 19045 12811 1 17 . 1 1 76 76 ARG HA H 76 3.320 3.320 3.144 0.176 19045 12812 1 17 . 1 1 76 76 ARG CA C 76 59.540 59.540 58.989 0.551 19045 12813 1 17 . 1 1 76 76 ARG CB C 76 30.130 30.130 29.564 0.566 19045 12814 1 17 . 1 1 76 76 ARG H H 76 7.512 7.512 7.401 0.111 19045 12815 1 17 . 1 1 77 77 GLN N N 77 118.008 118.008 118.852 -0.844 19045 12816 1 17 . 1 1 77 77 GLN HA H 77 3.951 3.951 3.956 -0.005 19045 12817 1 17 . 1 1 77 77 GLN CA C 77 58.337 58.337 58.921 -0.584 19045 12818 1 17 . 1 1 77 77 GLN CB C 77 27.512 27.512 28.262 -0.750 19045 12819 1 17 . 1 1 77 77 GLN H H 77 7.852 7.852 7.510 0.342 19045 12820 1 17 . 1 1 78 78 LEU N N 78 116.018 116.018 119.469 -3.451 19045 12821 1 17 . 1 1 78 78 LEU HA H 78 4.078 4.078 3.966 0.112 19045 12822 1 17 . 1 1 78 78 LEU CA C 78 57.391 57.391 58.097 -0.706 19045 12823 1 17 . 1 1 78 78 LEU CB C 78 40.999 40.999 41.748 -0.749 19045 12824 1 17 . 1 1 78 78 LEU H H 78 8.412 8.412 8.331 0.081 19045 12825 1 17 . 1 1 79 79 ALA N N 79 120.914 120.914 120.662 0.252 19045 12826 1 17 . 1 1 79 79 ALA HA H 79 3.896 3.896 3.970 -0.074 19045 12827 1 17 . 1 1 79 79 ALA CA C 79 54.789 54.789 54.916 -0.127 19045 12828 1 17 . 1 1 79 79 ALA CB C 79 17.880 17.880 18.028 -0.148 19045 12829 1 17 . 1 1 79 79 ALA H H 79 7.789 7.789 7.976 -0.187 19045 12830 1 17 . 1 1 80 80 ILE N N 80 117.984 117.984 117.510 0.474 19045 12831 1 17 . 1 1 80 80 ILE HA H 80 3.895 3.895 3.781 0.114 19045 12832 1 17 . 1 1 80 80 ILE CA C 80 63.576 63.576 64.324 -0.748 19045 12833 1 17 . 1 1 80 80 ILE CB C 80 38.607 38.607 38.406 0.201 19045 12834 1 17 . 1 1 80 80 ILE H H 80 7.690 7.690 7.425 0.265 19045 12835 1 17 . 1 1 81 81 ILE HA H 81 3.984 3.984 3.930 0.054 19045 12836 1 17 . 1 1 81 81 ILE CA C 81 63.608 63.608 63.959 -0.351 19045 12837 1 17 . 1 1 81 81 ILE CB C 81 37.587 37.587 37.370 0.217 19045 12838 1 17 . 1 1 81 81 ILE H H 81 7.910 7.910 8.065 -0.155 19045 12839 1 17 . 1 1 82 82 GLY CA C 82 45.566 45.566 44.564 1.002 19045 12840 1 17 . 1 1 82 82 GLY H H 82 7.765 7.765 8.285 -0.520 19045 12841 1 17 . 1 1 83 83 ASP N N 83 119.914 119.914 122.589 -2.675 19045 12842 1 17 . 1 1 83 83 ASP HA H 83 4.332 4.332 4.370 -0.038 19045 12843 1 17 . 1 1 83 83 ASP CA C 83 58.161 58.161 57.849 0.312 19045 12844 1 17 . 1 1 83 83 ASP CB C 83 41.771 41.771 41.309 0.463 19045 12845 1 17 . 1 1 83 83 ASP H H 83 7.400 7.400 7.802 -0.402 19045 12846 1 17 . 1 1 84 84 ASP N N 84 116.566 116.566 119.730 -3.164 19045 12847 1 17 . 1 1 84 84 ASP HA H 84 4.200 4.200 4.417 -0.217 19045 12848 1 17 . 1 1 84 84 ASP CA C 84 57.270 57.270 57.396 -0.126 19045 12849 1 17 . 1 1 84 84 ASP CB C 84 40.593 40.593 40.520 0.073 19045 12850 1 17 . 1 1 84 84 ASP H H 84 8.523 8.523 8.283 0.240 19045 12851 1 17 . 1 1 85 85 ILE N N 85 120.454 120.454 119.643 0.811 19045 12852 1 17 . 1 1 85 85 ILE HA H 85 3.753 3.753 3.857 -0.104 19045 12853 1 17 . 1 1 85 85 ILE CA C 85 63.782 63.782 64.591 -0.809 19045 12854 1 17 . 1 1 85 85 ILE CB C 85 37.546 37.546 37.198 0.348 19045 12855 1 17 . 1 1 85 85 ILE H H 85 7.707 7.707 8.019 -0.312 19045 12856 1 17 . 1 1 86 86 ASN N N 86 118.583 118.583 118.409 0.174 19045 12857 1 17 . 1 1 86 86 ASN HA H 86 4.472 4.472 4.490 -0.018 19045 12858 1 17 . 1 1 86 86 ASN CA C 86 56.087 56.087 56.557 -0.470 19045 12859 1 17 . 1 1 86 86 ASN CB C 86 37.614 37.614 38.835 -1.221 19045 12860 1 17 . 1 1 86 86 ASN H H 86 8.440 8.440 8.218 0.222 19045 12861 1 17 . 1 1 87 87 ARG N N 87 117.819 117.819 117.826 -0.007 19045 12862 1 17 . 1 1 87 87 ARG HA H 87 4.043 4.043 3.983 0.060 19045 12863 1 17 . 1 1 87 87 ARG CA C 87 59.035 59.035 58.723 0.312 19045 12864 1 17 . 1 1 87 87 ARG CB C 87 29.845 29.845 30.072 -0.227 19045 12865 1 17 . 1 1 87 87 ARG H H 87 8.214 8.214 7.912 0.302 19045 12866 1 17 . 1 1 88 88 ARG N N 88 117.971 117.971 119.841 -1.870 19045 12867 1 17 . 1 1 88 88 ARG HA H 88 3.965 3.965 4.037 -0.072 19045 12868 1 17 . 1 1 88 88 ARG CA C 88 58.161 58.161 59.462 -1.301 19045 12869 1 17 . 1 1 88 88 ARG CB C 88 30.376 30.376 30.608 -0.232 19045 12870 1 17 . 1 1 88 88 ARG H H 88 7.438 7.438 8.099 -0.661 19045 12871 1 17 . 1 1 89 89 TYR N N 89 114.591 114.591 113.833 0.758 19045 12872 1 17 . 1 1 89 89 TYR HA H 89 4.753 4.753 4.674 0.079 19045 12873 1 17 . 1 1 89 89 TYR CA C 89 59.481 59.481 57.132 2.349 19045 12874 1 17 . 1 1 89 89 TYR CB C 89 39.610 39.610 37.608 2.002 19045 12875 1 17 . 1 1 89 89 TYR H H 89 7.635 7.635 8.258 -0.623 19045 12876 1 17 . 1 1 90 90 ASP HA H 90 4.820 4.820 4.651 0.169 19045 12877 1 17 . 1 1 90 90 ASP CA C 90 58.200 58.200 56.716 1.484 19045 12878 1 17 . 1 1 90 90 ASP CB C 90 41.407 41.407 41.010 0.397 19045 12879 1 17 . 1 1 90 90 ASP H H 90 8.282 8.282 7.660 0.622 19045 12880 1 17 . 1 1 91 91 SER N N 91 115.266 115.266 115.881 -0.615 19045 12881 1 17 . 1 1 91 91 SER HA H 91 4.170 4.170 4.181 -0.011 19045 12882 1 17 . 1 1 91 91 SER CA C 91 61.780 61.780 62.378 -0.598 19045 12883 1 17 . 1 1 91 91 SER CB C 91 61.891 61.891 62.538 -0.647 19045 12884 1 17 . 1 1 91 91 SER H H 91 8.717 8.717 7.931 0.786 19045 12885 1 17 . 1 1 92 92 GLU N N 92 122.093 122.093 120.497 1.596 19045 12886 1 17 . 1 1 92 92 GLU HA H 92 4.056 4.056 4.177 -0.121 19045 12887 1 17 . 1 1 92 92 GLU CA C 92 58.928 58.928 58.587 0.342 19045 12888 1 17 . 1 1 92 92 GLU CB C 92 29.796 29.796 29.151 0.645 19045 12889 1 17 . 1 1 92 92 GLU H H 92 8.025 8.025 8.672 -0.647 19045 12890 1 17 . 1 1 93 93 PHE HA H 93 4.171 4.171 4.396 -0.225 19045 12891 1 17 . 1 1 93 93 PHE CA C 93 60.704 60.704 60.278 0.426 19045 12892 1 17 . 1 1 93 93 PHE CB C 93 38.780 38.780 39.278 -0.498 19045 12893 1 17 . 1 1 93 93 PHE H H 93 7.801 7.801 7.451 0.350 19045 12894 1 17 . 1 1 94 94 GLN N N 94 118.578 118.578 118.509 0.069 19045 12895 1 17 . 1 1 94 94 GLN HA H 94 3.847 3.847 4.014 -0.167 19045 12896 1 17 . 1 1 94 94 GLN CA C 94 59.981 59.981 59.257 0.724 19045 12897 1 17 . 1 1 94 94 GLN CB C 94 28.415 28.415 28.324 0.091 19045 12898 1 17 . 1 1 94 94 GLN H H 94 8.609 8.609 8.844 -0.235 19045 12899 1 17 . 1 1 95 95 THR N N 95 116.128 116.128 117.323 -1.195 19045 12900 1 17 . 1 1 95 95 THR HA H 95 3.811 3.811 3.968 -0.157 19045 12901 1 17 . 1 1 95 95 THR CA C 95 66.391 66.391 66.367 0.024 19045 12902 1 17 . 1 1 95 95 THR CB C 95 68.361 68.361 68.817 -0.456 19045 12903 1 17 . 1 1 95 95 THR H H 95 7.826 7.826 7.885 -0.059 19045 12904 1 17 . 1 1 96 96 MET N N 96 120.474 120.474 118.033 2.441 19045 12905 1 17 . 1 1 96 96 MET HA H 96 3.933 3.933 3.666 0.267 19045 12906 1 17 . 1 1 96 96 MET CA C 96 59.949 59.949 57.977 1.972 19045 12907 1 17 . 1 1 96 96 MET CB C 96 33.087 33.087 32.462 0.625 19045 12908 1 17 . 1 1 96 96 MET H H 96 7.728 7.728 7.425 0.303 19045 12909 1 17 . 1 1 97 97 LEU N N 97 118.904 118.904 121.800 -2.896 19045 12910 1 17 . 1 1 97 97 LEU HA H 97 3.604 3.604 3.900 -0.296 19045 12911 1 17 . 1 1 97 97 LEU CA C 97 57.771 57.771 57.922 -0.151 19045 12912 1 17 . 1 1 97 97 LEU CB C 97 40.836 40.836 40.486 0.350 19045 12913 1 17 . 1 1 97 97 LEU H H 97 8.112 8.112 8.022 0.090 19045 12914 1 17 . 1 1 98 98 GLN N N 98 116.798 116.798 115.926 0.872 19045 12915 1 17 . 1 1 98 98 GLN HA H 98 4.003 4.003 4.247 -0.244 19045 12916 1 17 . 1 1 98 98 GLN CA C 98 58.337 58.337 58.294 0.043 19045 12917 1 17 . 1 1 98 98 GLN CB C 98 27.659 27.659 28.703 -1.044 19045 12918 1 17 . 1 1 98 98 GLN H H 98 7.754 7.754 8.098 -0.344 19045 12919 1 17 . 1 1 99 99 HIS N N 99 115.943 115.943 116.740 -0.797 19045 12920 1 17 . 1 1 99 99 HIS HA H 99 4.442 4.442 4.369 0.073 19045 12921 1 17 . 1 1 99 99 HIS CA C 99 57.025 57.025 57.260 -0.235 19045 12922 1 17 . 1 1 99 99 HIS CB C 99 28.848 28.848 29.903 -1.055 19045 12923 1 17 . 1 1 99 99 HIS H H 99 7.504 7.504 7.810 -0.306 19045 12924 1 17 . 1 1 100 100 LEU N N 100 121.347 121.347 120.442 0.905 19045 12925 1 17 . 1 1 100 100 LEU HA H 100 3.803 3.803 4.003 -0.200 19045 12926 1 17 . 1 1 100 100 LEU CA C 100 56.801 56.801 56.949 -0.148 19045 12927 1 17 . 1 1 100 100 LEU CB C 100 42.563 42.563 41.791 0.772 19045 12928 1 17 . 1 1 100 100 LEU H H 100 8.013 8.013 7.475 0.538 19045 12929 1 17 . 1 1 101 101 GLN N N 101 110.029 110.029 114.256 -4.227 19045 12930 1 17 . 1 1 101 101 GLN HA H 101 4.003 4.003 4.177 -0.174 19045 12931 1 17 . 1 1 101 101 GLN CA C 101 55.685 55.685 56.052 -0.367 19045 12932 1 17 . 1 1 101 101 GLN CB C 101 27.301 27.301 26.510 0.791 19045 12933 1 17 . 1 1 101 101 GLN H H 101 7.763 7.763 7.840 -0.077 19045 12934 1 17 . 1 1 102 102 PRO HA H 102 4.926 4.926 4.363 0.563 19045 12935 1 17 . 1 1 102 102 PRO CA C 102 62.372 62.372 62.872 -0.500 19045 12936 1 17 . 1 1 102 102 PRO CB C 102 31.963 31.963 32.921 -0.958 19045 12937 1 17 . 1 1 103 103 THR N N 103 114.119 114.119 106.447 7.672 19045 12938 1 17 . 1 1 103 103 THR HA H 103 4.420 4.420 4.558 -0.138 19045 12939 1 17 . 1 1 103 103 THR CA C 103 58.716 58.716 60.059 -1.343 19045 12940 1 17 . 1 1 103 103 THR CB C 103 72.929 72.929 71.411 1.518 19045 12941 1 17 . 1 1 103 103 THR H H 103 9.386 9.386 7.947 1.439 19045 12942 1 17 . 1 1 104 104 ALA N N 104 120.374 120.374 121.248 -0.874 19045 12943 1 17 . 1 1 104 104 ALA HA H 104 3.737 3.737 4.647 -0.910 19045 12944 1 17 . 1 1 104 104 ALA CA C 104 54.782 54.782 54.213 0.569 19045 12945 1 17 . 1 1 104 104 ALA CB C 104 18.050 18.050 18.429 -0.379 19045 12946 1 17 . 1 1 104 104 ALA H H 104 8.723 8.723 8.459 0.264 19045 12947 1 17 . 1 1 105 105 GLU N N 105 113.834 113.834 115.475 -1.641 19045 12948 1 17 . 1 1 105 105 GLU HA H 105 4.122 4.122 4.295 -0.173 19045 12949 1 17 . 1 1 105 105 GLU CA C 105 58.707 58.707 58.542 0.165 19045 12950 1 17 . 1 1 105 105 GLU CB C 105 29.445 29.445 29.398 0.047 19045 12951 1 17 . 1 1 105 105 GLU H H 105 7.969 7.969 8.482 -0.513 19045 12952 1 17 . 1 1 106 106 ASN N N 106 114.135 114.135 117.574 -3.439 19045 12953 1 17 . 1 1 106 106 ASN HA H 106 4.781 4.781 4.373 0.408 19045 12954 1 17 . 1 1 106 106 ASN CA C 106 52.222 52.222 52.537 -0.315 19045 12955 1 17 . 1 1 106 106 ASN CB C 106 38.983 38.983 39.031 -0.047 19045 12956 1 17 . 1 1 106 106 ASN H H 106 7.151 7.151 7.727 -0.576 19045 12957 1 17 . 1 1 107 107 ALA N N 107 121.280 121.280 122.817 -1.537 19045 12958 1 17 . 1 1 107 107 ALA HA H 107 3.858 3.858 4.228 -0.370 19045 12959 1 17 . 1 1 107 107 ALA CA C 107 56.988 56.988 55.577 1.411 19045 12960 1 17 . 1 1 107 107 ALA CB C 107 18.278 18.278 18.910 -0.632 19045 12961 1 17 . 1 1 107 107 ALA H H 107 7.940 7.940 7.950 -0.010 19045 12962 1 17 . 1 1 108 108 TYR N N 108 117.339 117.339 115.755 1.584 19045 12963 1 17 . 1 1 108 108 TYR HA H 108 3.048 3.048 3.874 -0.826 19045 12964 1 17 . 1 1 108 108 TYR CA C 108 60.578 60.578 59.749 0.829 19045 12965 1 17 . 1 1 108 108 TYR CB C 108 36.804 36.804 36.423 0.381 19045 12966 1 17 . 1 1 108 108 TYR H H 108 8.783 8.783 7.654 1.129 19045 12967 1 17 . 1 1 109 109 GLU N N 109 123.316 123.316 121.183 2.133 19045 12968 1 17 . 1 1 109 109 GLU HA H 109 3.681 3.681 3.701 -0.020 19045 12969 1 17 . 1 1 109 109 GLU CA C 109 59.152 59.152 58.474 0.678 19045 12970 1 17 . 1 1 109 109 GLU CB C 109 28.782 28.782 28.326 0.456 19045 12971 1 17 . 1 1 109 109 GLU H H 109 8.084 8.084 7.418 0.666 19045 12972 1 17 . 1 1 110 110 TYR N N 110 117.254 117.254 117.756 -0.502 19045 12973 1 17 . 1 1 110 110 TYR HA H 110 4.339 4.339 4.324 0.015 19045 12974 1 17 . 1 1 110 110 TYR CA C 110 58.527 58.527 59.949 -1.422 19045 12975 1 17 . 1 1 110 110 TYR CB C 110 36.323 36.323 38.388 -2.065 19045 12976 1 17 . 1 1 110 110 TYR H H 110 8.282 8.282 7.677 0.605 19045 12977 1 17 . 1 1 111 111 PHE N N 111 119.028 119.028 120.863 -1.835 19045 12978 1 17 . 1 1 111 111 PHE HA H 111 3.889 3.889 4.158 -0.269 19045 12979 1 17 . 1 1 111 111 PHE CA C 111 62.350 62.350 61.369 0.981 19045 12980 1 17 . 1 1 111 111 PHE CB C 111 39.369 39.369 39.142 0.227 19045 12981 1 17 . 1 1 111 111 PHE H H 111 9.197 9.197 8.592 0.605 19045 12982 1 17 . 1 1 112 112 THR N N 112 113.669 113.669 112.726 0.943 19045 12983 1 17 . 1 1 112 112 THR HA H 112 3.411 3.411 3.072 0.339 19045 12984 1 17 . 1 1 112 112 THR CA C 112 67.185 67.185 66.005 1.180 19045 12985 1 17 . 1 1 112 112 THR CB C 112 68.294 68.294 67.845 0.449 19045 12986 1 17 . 1 1 112 112 THR H H 112 8.315 8.315 8.507 -0.192 19045 12987 1 17 . 1 1 113 113 LYS N N 113 124.090 124.090 121.685 2.405 19045 12988 1 17 . 1 1 113 113 LYS HA H 113 3.854 3.854 4.089 -0.235 19045 12989 1 17 . 1 1 113 113 LYS CA C 113 60.416 60.416 59.009 1.407 19045 12990 1 17 . 1 1 113 113 LYS CB C 113 33.219 33.219 32.080 1.139 19045 12991 1 17 . 1 1 113 113 LYS H H 113 8.335 8.335 7.106 1.229 19045 12992 1 17 . 1 1 114 114 ILE N N 114 120.457 120.457 119.465 0.992 19045 12993 1 17 . 1 1 114 114 ILE HA H 114 3.145 3.145 3.643 -0.498 19045 12994 1 17 . 1 1 114 114 ILE CA C 114 65.550 65.550 63.142 2.408 19045 12995 1 17 . 1 1 114 114 ILE CB C 114 37.402 37.402 36.180 1.222 19045 12996 1 17 . 1 1 114 114 ILE H H 114 8.042 8.042 7.768 0.274 19045 12997 1 17 . 1 1 115 115 ALA N N 115 121.066 121.066 122.837 -1.771 19045 12998 1 17 . 1 1 115 115 ALA HA H 115 3.219 3.219 3.879 -0.660 19045 12999 1 17 . 1 1 115 115 ALA CA C 115 54.940 54.940 55.299 -0.359 19045 13000 1 17 . 1 1 115 115 ALA CB C 115 16.345 16.345 17.474 -1.129 19045 13001 1 17 . 1 1 115 115 ALA H H 115 8.208 8.208 8.088 0.120 19045 13002 1 17 . 1 1 116 116 THR N N 116 112.803 112.803 115.655 -2.852 19045 13003 1 17 . 1 1 116 116 THR HA H 116 3.808 3.808 4.333 -0.525 19045 13004 1 17 . 1 1 116 116 THR CA C 116 67.557 67.557 66.434 1.123 19045 13005 1 17 . 1 1 116 116 THR CB C 116 68.431 68.431 68.732 -0.301 19045 13006 1 17 . 1 1 116 116 THR H H 116 7.893 7.893 7.734 0.159 19045 13007 1 17 . 1 1 117 117 SER N N 117 115.935 115.935 117.004 -1.069 19045 13008 1 17 . 1 1 117 117 SER HA H 117 4.070 4.070 4.242 -0.172 19045 13009 1 17 . 1 1 117 117 SER CA C 117 61.879 61.879 61.583 0.296 19045 13010 1 17 . 1 1 117 117 SER CB C 117 62.907 62.907 63.410 -0.503 19045 13011 1 17 . 1 1 117 117 SER H H 117 7.139 7.139 7.952 -0.813 19045 13012 1 17 . 1 1 118 118 LEU N N 118 123.462 123.462 123.661 -0.199 19045 13013 1 17 . 1 1 118 118 LEU HA H 118 3.596 3.596 3.902 -0.306 19045 13014 1 17 . 1 1 118 118 LEU CA C 118 58.014 58.014 57.398 0.616 19045 13015 1 17 . 1 1 118 118 LEU CB C 118 41.687 41.687 42.284 -0.597 19045 13016 1 17 . 1 1 118 118 LEU H H 118 7.844 7.844 7.642 0.202 19045 13017 1 17 . 1 1 119 119 PHE N N 119 110.270 110.270 113.073 -2.803 19045 13018 1 17 . 1 1 119 119 PHE HA H 119 4.721 4.721 4.571 0.150 19045 13019 1 17 . 1 1 119 119 PHE CA C 119 58.698 58.698 57.149 1.549 19045 13020 1 17 . 1 1 119 119 PHE CB C 119 38.838 38.838 37.577 1.261 19045 13021 1 17 . 1 1 119 119 PHE H H 119 6.878 6.878 8.330 -1.452 19045 13022 1 17 . 1 1 120 120 GLU N N 120 123.135 123.135 119.608 3.527 19045 13023 1 17 . 1 1 120 120 GLU HA H 120 4.016 4.016 4.260 -0.244 19045 13024 1 17 . 1 1 120 120 GLU CA C 120 59.532 59.532 58.294 1.238 19045 13025 1 17 . 1 1 120 120 GLU CB C 120 29.337 29.337 30.320 -0.983 19045 13026 1 17 . 1 1 120 120 GLU H H 120 7.551 7.551 7.895 -0.344 19045 13027 1 17 . 1 1 121 121 SER N N 121 107.983 107.983 114.427 -6.444 19045 13028 1 17 . 1 1 121 121 SER HA H 121 4.522 4.522 4.483 0.039 19045 13029 1 17 . 1 1 121 121 SER CA C 121 57.342 57.342 59.100 -1.758 19045 13030 1 17 . 1 1 121 121 SER CB C 121 63.353 63.353 64.304 -0.951 19045 13031 1 17 . 1 1 121 121 SER H H 121 7.712 7.712 8.326 -0.614 19045 13032 1 17 . 1 1 122 122 GLY N N 122 110.748 110.748 108.350 2.398 19045 13033 1 17 . 1 1 122 122 GLY CA C 122 44.419 44.419 44.728 -0.309 19045 13034 1 17 . 1 1 122 122 GLY H H 122 7.317 7.317 7.989 -0.672 19045 13035 1 17 . 1 1 123 123 ILE N N 123 117.061 117.061 120.004 -2.943 19045 13036 1 17 . 1 1 123 123 ILE HA H 123 3.724 3.724 4.241 -0.517 19045 13037 1 17 . 1 1 123 123 ILE CA C 123 61.383 61.383 60.356 1.027 19045 13038 1 17 . 1 1 123 123 ILE CB C 123 40.588 40.588 38.662 1.926 19045 13039 1 17 . 1 1 123 123 ILE H H 123 7.963 7.963 8.245 -0.282 19045 13040 1 17 . 1 1 124 124 ASN N N 124 117.915 117.915 123.042 -5.127 19045 13041 1 17 . 1 1 124 124 ASN HA H 124 4.204 4.204 4.935 -0.731 19045 13042 1 17 . 1 1 124 124 ASN CA C 124 51.886 51.886 51.832 0.054 19045 13043 1 17 . 1 1 124 124 ASN CB C 124 39.033 39.033 41.253 -2.220 19045 13044 1 17 . 1 1 124 124 ASN H H 124 6.434 6.434 8.153 -1.719 19045 13045 1 17 . 1 1 125 125 TRP N N 125 119.673 119.673 123.559 -3.886 19045 13046 1 17 . 1 1 125 125 TRP HA H 125 4.470 4.470 4.607 -0.137 19045 13047 1 17 . 1 1 125 125 TRP CA C 125 61.257 61.257 61.253 0.004 19045 13048 1 17 . 1 1 125 125 TRP CB C 125 30.287 30.287 29.520 0.767 19045 13049 1 17 . 1 1 125 125 TRP H H 125 8.824 8.824 9.169 -0.345 19045 13050 1 17 . 1 1 126 126 GLY N N 126 107.516 107.516 106.088 1.428 19045 13051 1 17 . 1 1 126 126 GLY CA C 126 48.294 48.294 47.288 1.006 19045 13052 1 17 . 1 1 126 126 GLY H H 126 9.118 9.118 8.836 0.282 19045 13053 1 17 . 1 1 127 127 ARG N N 127 119.610 119.610 121.859 -2.249 19045 13054 1 17 . 1 1 127 127 ARG HA H 127 3.742 3.742 4.065 -0.323 19045 13055 1 17 . 1 1 127 127 ARG CA C 127 59.551 59.551 58.922 0.629 19045 13056 1 17 . 1 1 127 127 ARG CB C 127 31.163 31.163 29.887 1.276 19045 13057 1 17 . 1 1 127 127 ARG H H 127 8.616 8.616 7.457 1.159 19045 13058 1 17 . 1 1 128 128 VAL N N 128 120.289 120.289 120.441 -0.152 19045 13059 1 17 . 1 1 128 128 VAL HA H 128 3.662 3.662 4.021 -0.359 19045 13060 1 17 . 1 1 128 128 VAL CA C 128 68.387 68.387 67.033 1.354 19045 13061 1 17 . 1 1 128 128 VAL CB C 128 31.127 31.127 31.567 -0.440 19045 13062 1 17 . 1 1 128 128 VAL H H 128 7.762 7.762 8.024 -0.262 19045 13063 1 17 . 1 1 129 129 VAL N N 129 119.577 119.577 117.320 2.257 19045 13064 1 17 . 1 1 129 129 VAL HA H 129 3.449 3.449 3.655 -0.206 19045 13065 1 17 . 1 1 129 129 VAL CA C 129 67.772 67.772 66.415 1.357 19045 13066 1 17 . 1 1 129 129 VAL CB C 129 30.918 30.918 30.369 0.549 19045 13067 1 17 . 1 1 129 129 VAL H H 129 8.433 8.433 8.214 0.219 19045 13068 1 17 . 1 1 130 130 ALA N N 130 123.330 123.330 123.911 -0.581 19045 13069 1 17 . 1 1 130 130 ALA HA H 130 4.069 4.069 4.177 -0.108 19045 13070 1 17 . 1 1 130 130 ALA CA C 130 54.978 54.978 55.246 -0.268 19045 13071 1 17 . 1 1 130 130 ALA CB C 130 17.446 17.446 18.508 -1.062 19045 13072 1 17 . 1 1 130 130 ALA H H 130 8.766 8.766 8.180 0.586 19045 13073 1 17 . 1 1 131 131 LEU N N 131 120.040 120.040 120.062 -0.022 19045 13074 1 17 . 1 1 131 131 LEU HA H 131 3.961 3.961 4.596 -0.635 19045 13075 1 17 . 1 1 131 131 LEU CA C 131 58.353 58.353 58.455 -0.102 19045 13076 1 17 . 1 1 131 131 LEU CB C 131 40.750 40.750 42.402 -1.652 19045 13077 1 17 . 1 1 131 131 LEU H H 131 8.178 8.178 8.079 0.099 19045 13078 1 17 . 1 1 132 132 LEU N N 132 119.150 119.150 117.625 1.525 19045 13079 1 17 . 1 1 132 132 LEU HA H 132 3.952 3.952 4.324 -0.372 19045 13080 1 17 . 1 1 132 132 LEU CA C 132 58.620 58.620 57.860 0.760 19045 13081 1 17 . 1 1 132 132 LEU CB C 132 38.835 38.835 40.869 -2.034 19045 13082 1 17 . 1 1 132 132 LEU H H 132 7.927 7.927 7.689 0.238 19045 13083 1 17 . 1 1 133 133 GLY N N 133 107.066 107.066 108.285 -1.219 19045 13084 1 17 . 1 1 133 133 GLY CA C 133 48.339 48.339 47.716 0.623 19045 13085 1 17 . 1 1 133 133 GLY H H 133 8.752 8.752 8.395 0.357 19045 13086 1 17 . 1 1 134 134 PHE N N 134 123.521 123.521 121.262 2.259 19045 13087 1 17 . 1 1 134 134 PHE HA H 134 4.601 4.601 4.229 0.372 19045 13088 1 17 . 1 1 134 134 PHE CA C 134 59.884 59.884 58.292 1.592 19045 13089 1 17 . 1 1 134 134 PHE CB C 134 38.622 38.622 37.955 0.667 19045 13090 1 17 . 1 1 134 134 PHE H H 134 8.606 8.606 8.413 0.193 19045 13091 1 17 . 1 1 135 135 GLY N N 135 106.412 106.412 109.400 -2.988 19045 13092 1 17 . 1 1 135 135 GLY CA C 135 47.731 47.731 47.123 0.608 19045 13093 1 17 . 1 1 135 135 GLY H H 135 8.715 8.715 7.828 0.887 19045 13094 1 17 . 1 1 136 136 TYR N N 136 121.461 121.461 123.091 -1.630 19045 13095 1 17 . 1 1 136 136 TYR HA H 136 4.116 4.116 4.283 -0.167 19045 13096 1 17 . 1 1 136 136 TYR CA C 136 61.564 61.564 61.335 0.229 19045 13097 1 17 . 1 1 136 136 TYR CB C 136 38.469 38.469 38.593 -0.124 19045 13098 1 17 . 1 1 136 136 TYR H H 136 8.809 8.809 7.999 0.810 19045 13099 1 17 . 1 1 137 137 ARG N N 137 117.518 117.518 118.904 -1.386 19045 13100 1 17 . 1 1 137 137 ARG HA H 137 3.647 3.647 4.206 -0.559 19045 13101 1 17 . 1 1 137 137 ARG CA C 137 58.904 58.904 59.419 -0.515 19045 13102 1 17 . 1 1 137 137 ARG CB C 137 29.189 29.189 29.981 -0.792 19045 13103 1 17 . 1 1 137 137 ARG H H 137 8.646 8.646 7.779 0.868 19045 13104 1 17 . 1 1 138 138 LEU N N 138 121.658 121.658 120.477 1.181 19045 13105 1 17 . 1 1 138 138 LEU HA H 138 3.905 3.905 4.200 -0.295 19045 13106 1 17 . 1 1 138 138 LEU CA C 138 58.454 58.454 57.802 0.652 19045 13107 1 17 . 1 1 138 138 LEU CB C 138 41.801 41.801 41.645 0.156 19045 13108 1 17 . 1 1 138 138 LEU H H 138 9.065 9.065 8.397 0.668 19045 13109 1 17 . 1 1 139 139 ALA N N 139 120.012 120.012 121.210 -1.198 19045 13110 1 17 . 1 1 139 139 ALA HA H 139 4.004 4.004 4.354 -0.350 19045 13111 1 17 . 1 1 139 139 ALA CA C 139 55.174 55.174 55.081 0.093 19045 13112 1 17 . 1 1 139 139 ALA CB C 139 17.943 17.943 18.284 -0.341 19045 13113 1 17 . 1 1 139 139 ALA H H 139 8.237 8.237 7.972 0.265 19045 13114 1 17 . 1 1 140 140 LEU N N 140 119.522 119.522 119.845 -0.323 19045 13115 1 17 . 1 1 140 140 LEU HA H 140 4.000 4.000 4.179 -0.179 19045 13116 1 17 . 1 1 140 140 LEU CA C 140 57.805 57.805 57.800 0.006 19045 13117 1 17 . 1 1 140 140 LEU CB C 140 42.324 42.324 42.174 0.150 19045 13118 1 17 . 1 1 140 140 LEU H H 140 8.191 8.191 8.118 0.073 19045 13119 1 17 . 1 1 141 141 HIS N N 141 117.834 117.834 119.319 -1.485 19045 13120 1 17 . 1 1 141 141 HIS HA H 141 4.183 4.183 4.352 -0.169 19045 13121 1 17 . 1 1 141 141 HIS CA C 141 60.960 60.960 60.188 0.772 19045 13122 1 17 . 1 1 141 141 HIS CB C 141 31.708 31.708 30.262 1.446 19045 13123 1 17 . 1 1 141 141 HIS H H 141 8.253 8.253 8.169 0.084 19045 13124 1 17 . 1 1 142 142 VAL N N 142 113.700 113.700 118.084 -4.384 19045 13125 1 17 . 1 1 142 142 VAL HA H 142 3.887 3.887 4.095 -0.208 19045 13126 1 17 . 1 1 142 142 VAL CA C 142 65.948 65.948 63.389 2.559 19045 13127 1 17 . 1 1 142 142 VAL CB C 142 30.264 30.264 32.012 -1.748 19045 13128 1 17 . 1 1 142 142 VAL H H 142 8.455 8.455 7.594 0.861 19045 13129 1 17 . 1 1 143 143 TYR N N 143 123.307 123.307 122.465 0.842 19045 13130 1 17 . 1 1 143 143 TYR HA H 143 4.320 4.320 3.971 0.349 19045 13131 1 17 . 1 1 143 143 TYR CA C 143 61.934 61.934 61.297 0.637 19045 13132 1 17 . 1 1 143 143 TYR CB C 143 38.779 38.779 38.587 0.192 19045 13133 1 17 . 1 1 143 143 TYR H H 143 7.750 7.750 8.165 -0.415 19045 13134 1 17 . 1 1 144 144 GLN N N 144 118.560 118.560 116.012 2.548 19045 13135 1 17 . 1 1 144 144 GLN HA H 144 3.686 3.686 3.943 -0.257 19045 13136 1 17 . 1 1 144 144 GLN CA C 144 58.055 58.055 58.257 -0.202 19045 13137 1 17 . 1 1 144 144 GLN CB C 144 27.859 27.859 28.577 -0.718 19045 13138 1 17 . 1 1 144 144 GLN H H 144 8.486 8.486 8.158 0.328 19045 13139 1 17 . 1 1 145 145 HIS N N 145 114.312 114.312 116.030 -1.718 19045 13140 1 17 . 1 1 145 145 HIS HA H 145 4.330 4.330 4.431 -0.101 19045 13141 1 17 . 1 1 145 145 HIS CA C 145 56.178 56.178 56.986 -0.808 19045 13142 1 17 . 1 1 145 145 HIS CB C 145 27.751 27.751 30.885 -3.134 19045 13143 1 17 . 1 1 145 145 HIS H H 145 7.350 7.350 7.444 -0.094 19045 13144 1 17 . 1 1 146 146 GLY N N 146 106.537 106.537 107.669 -1.132 19045 13145 1 17 . 1 1 146 146 GLY CA C 146 45.715 45.715 44.699 1.016 19045 13146 1 17 . 1 1 146 146 GLY H H 146 7.471 7.471 7.363 0.108 19045 13147 1 17 . 1 1 147 147 LEU N N 147 123.302 123.302 123.903 -0.601 19045 13148 1 17 . 1 1 147 147 LEU HA H 147 4.496 4.496 4.608 -0.112 19045 13149 1 17 . 1 1 147 147 LEU CA C 147 54.259 54.259 54.042 0.217 19045 13150 1 17 . 1 1 147 147 LEU CB C 147 41.033 41.033 45.302 -4.269 19045 13151 1 17 . 1 1 147 147 LEU H H 147 7.933 7.933 7.604 0.329 19045 13152 1 17 . 1 1 148 148 THR HA H 148 4.523 4.523 4.428 0.095 19045 13153 1 17 . 1 1 148 148 THR CA C 148 61.027 61.027 62.117 -1.089 19045 13154 1 17 . 1 1 148 148 THR CB C 148 70.359 70.359 67.827 2.532 19045 13155 1 17 . 1 1 149 149 GLY CA C 149 47.016 47.016 45.271 1.745 19045 13156 1 17 . 1 1 149 149 GLY H H 149 8.458 8.458 8.426 0.032 19045 13157 1 17 . 1 1 150 150 PHE N N 150 123.408 123.408 122.579 0.829 19045 13158 1 17 . 1 1 150 150 PHE HA H 150 4.555 4.555 4.537 0.018 19045 13159 1 17 . 1 1 150 150 PHE CA C 150 57.964 57.964 58.262 -0.298 19045 13160 1 17 . 1 1 150 150 PHE CB C 150 42.911 42.911 40.299 2.612 19045 13161 1 17 . 1 1 150 150 PHE H H 150 9.331 9.331 8.547 0.784 19045 13162 1 17 . 1 1 151 151 LEU N N 151 123.032 123.032 120.214 2.818 19045 13163 1 17 . 1 1 151 151 LEU HA H 151 3.859 3.859 3.823 0.036 19045 13164 1 17 . 1 1 151 151 LEU CA C 151 58.454 58.454 58.620 -0.166 19045 13165 1 17 . 1 1 151 151 LEU CB C 151 40.948 40.948 40.364 0.585 19045 13166 1 17 . 1 1 151 151 LEU H H 151 8.470 8.470 7.891 0.579 19045 13167 1 17 . 1 1 152 152 GLY N N 152 108.386 108.386 106.015 2.371 19045 13168 1 17 . 1 1 152 152 GLY CA C 152 46.676 46.676 47.130 -0.454 19045 13169 1 17 . 1 1 152 152 GLY H H 152 8.577 8.577 8.472 0.105 19045 13170 1 17 . 1 1 153 153 GLN N N 153 122.055 122.055 121.010 1.045 19045 13171 1 17 . 1 1 153 153 GLN HA H 153 3.532 3.532 3.580 -0.048 19045 13172 1 17 . 1 1 153 153 GLN CA C 153 57.844 57.844 58.527 -0.683 19045 13173 1 17 . 1 1 153 153 GLN CB C 153 26.442 26.442 28.119 -1.677 19045 13174 1 17 . 1 1 153 153 GLN H H 153 7.106 7.106 7.924 -0.818 19045 13175 1 17 . 1 1 154 154 VAL N N 154 116.706 116.706 119.744 -3.038 19045 13176 1 17 . 1 1 154 154 VAL HA H 154 2.428 2.428 3.464 -1.036 19045 13177 1 17 . 1 1 154 154 VAL CA C 154 66.089 66.089 66.141 -0.053 19045 13178 1 17 . 1 1 154 154 VAL CB C 154 31.463 31.463 30.606 0.857 19045 13179 1 17 . 1 1 154 154 VAL H H 154 7.033 7.033 8.056 -1.023 19045 13180 1 17 . 1 1 155 155 THR N N 155 114.165 114.165 115.995 -1.830 19045 13181 1 17 . 1 1 155 155 THR HA H 155 3.317 3.317 3.441 -0.124 19045 13182 1 17 . 1 1 155 155 THR CA C 155 67.050 67.050 66.669 0.381 19045 13183 1 17 . 1 1 155 155 THR CB C 155 68.307 68.307 68.198 0.109 19045 13184 1 17 . 1 1 155 155 THR H H 155 7.860 7.860 7.979 -0.119 19045 13185 1 17 . 1 1 156 156 ARG N N 156 119.890 119.890 120.561 -0.671 19045 13186 1 17 . 1 1 156 156 ARG HA H 156 3.769 3.769 3.941 -0.172 19045 13187 1 17 . 1 1 156 156 ARG CA C 156 58.769 58.769 58.488 0.281 19045 13188 1 17 . 1 1 156 156 ARG CB C 156 28.693 28.693 29.228 -0.535 19045 13189 1 17 . 1 1 156 156 ARG H H 156 7.019 7.019 7.850 -0.831 19045 13190 1 17 . 1 1 157 157 PHE N N 157 118.242 118.242 118.896 -0.654 19045 13191 1 17 . 1 1 157 157 PHE HA H 157 4.426 4.426 4.346 0.080 19045 13192 1 17 . 1 1 157 157 PHE CA C 157 56.928 56.928 60.838 -3.910 19045 13193 1 17 . 1 1 157 157 PHE CB C 157 35.794 35.794 37.962 -2.168 19045 13194 1 17 . 1 1 157 157 PHE H H 157 8.030 8.030 7.784 0.246 19045 13195 1 17 . 1 1 158 158 VAL N N 158 118.961 118.961 119.737 -0.776 19045 13196 1 17 . 1 1 158 158 VAL HA H 158 3.425 3.425 3.955 -0.530 19045 13197 1 17 . 1 1 158 158 VAL CA C 158 67.288 67.288 67.248 0.041 19045 13198 1 17 . 1 1 158 158 VAL CB C 158 31.554 31.554 31.350 0.204 19045 13199 1 17 . 1 1 158 158 VAL H H 158 7.607 7.607 8.250 -0.643 19045 13200 1 17 . 1 1 159 159 VAL N N 159 119.773 119.773 120.268 -0.495 19045 13201 1 17 . 1 1 159 159 VAL HA H 159 3.358 3.358 3.587 -0.229 19045 13202 1 17 . 1 1 159 159 VAL CA C 159 67.570 67.570 66.896 0.674 19045 13203 1 17 . 1 1 159 159 VAL CB C 159 32.355 32.355 30.968 1.387 19045 13204 1 17 . 1 1 159 159 VAL H H 159 8.039 8.039 8.078 -0.039 19045 13205 1 17 . 1 1 160 160 ASP N N 160 118.382 118.382 120.405 -2.023 19045 13206 1 17 . 1 1 160 160 ASP HA H 160 4.293 4.293 4.457 -0.164 19045 13207 1 17 . 1 1 160 160 ASP CA C 160 57.567 57.567 57.575 -0.008 19045 13208 1 17 . 1 1 160 160 ASP CB C 160 41.474 41.474 40.881 0.593 19045 13209 1 17 . 1 1 160 160 ASP H H 160 8.752 8.752 8.269 0.483 19045 13210 1 17 . 1 1 161 161 PHE N N 161 119.972 119.972 121.543 -1.571 19045 13211 1 17 . 1 1 161 161 PHE HA H 161 4.175 4.175 4.243 -0.068 19045 13212 1 17 . 1 1 161 161 PHE CA C 161 62.688 62.688 61.330 1.358 19045 13213 1 17 . 1 1 161 161 PHE CB C 161 39.789 39.789 39.328 0.461 19045 13214 1 17 . 1 1 161 161 PHE H H 161 8.558 8.558 8.497 0.061 19045 13215 1 17 . 1 1 162 162 MET N N 162 116.261 116.261 120.206 -3.945 19045 13216 1 17 . 1 1 162 162 MET HA H 162 3.702 3.702 3.893 -0.191 19045 13217 1 17 . 1 1 162 162 MET CA C 162 59.342 59.342 59.645 -0.303 19045 13218 1 17 . 1 1 162 162 MET CB C 162 32.081 32.081 32.858 -0.777 19045 13219 1 17 . 1 1 162 162 MET H H 162 8.597 8.597 8.776 -0.179 19045 13220 1 17 . 1 1 163 163 LEU N N 163 119.069 119.069 114.730 4.339 19045 13221 1 17 . 1 1 163 163 LEU HA H 163 3.952 3.952 4.027 -0.075 19045 13222 1 17 . 1 1 163 163 LEU CA C 163 57.856 57.856 55.721 2.135 19045 13223 1 17 . 1 1 163 163 LEU CB C 163 42.236 42.236 41.855 0.381 19045 13224 1 17 . 1 1 163 163 LEU H H 163 8.291 8.291 7.602 0.689 19045 13225 1 17 . 1 1 164 164 HIS N N 164 113.591 113.591 115.834 -2.243 19045 13226 1 17 . 1 1 164 164 HIS HA H 164 4.430 4.430 4.721 -0.291 19045 13227 1 17 . 1 1 164 164 HIS CA C 164 57.289 57.289 55.777 1.512 19045 13228 1 17 . 1 1 164 164 HIS CB C 164 28.766 28.766 30.136 -1.370 19045 13229 1 17 . 1 1 164 164 HIS H H 164 8.111 8.111 7.564 0.547 19045 13230 1 17 . 1 1 165 165 HIS N N 165 115.730 115.730 117.806 -2.076 19045 13231 1 17 . 1 1 165 165 HIS HA H 165 4.602 4.602 4.578 0.024 19045 13232 1 17 . 1 1 165 165 HIS CA C 165 54.752 54.752 55.764 -1.012 19045 13233 1 17 . 1 1 165 165 HIS CB C 165 26.766 26.766 29.861 -3.095 19045 13234 1 17 . 1 1 165 165 HIS H H 165 7.789 7.789 7.519 0.270 19045 13235 1 17 . 1 1 166 166 CYS N N 166 109.533 109.533 116.606 -7.073 19045 13236 1 17 . 1 1 166 166 CYS HA H 166 4.274 4.274 3.986 0.288 19045 13237 1 17 . 1 1 166 166 CYS CA C 166 61.452 61.452 60.324 1.129 19045 13238 1 17 . 1 1 166 166 CYS CB C 166 25.215 25.215 26.869 -1.654 19045 13239 1 17 . 1 1 166 166 CYS H H 166 7.761 7.761 8.455 -0.694 19045 13240 1 17 . 1 1 167 167 ILE N N 167 119.980 119.980 120.068 -0.088 19045 13241 1 17 . 1 1 167 167 ILE HA H 167 3.563 3.563 3.756 -0.193 19045 13242 1 17 . 1 1 167 167 ILE CA C 167 62.212 62.212 63.312 -1.100 19045 13243 1 17 . 1 1 167 167 ILE CB C 167 35.969 35.969 36.360 -0.391 19045 13244 1 17 . 1 1 167 167 ILE H H 167 7.574 7.574 7.711 -0.137 19045 13245 1 17 . 1 1 168 168 ALA N N 168 121.737 121.737 122.570 -0.833 19045 13246 1 17 . 1 1 168 168 ALA HA H 168 3.775 3.775 3.898 -0.123 19045 13247 1 17 . 1 1 168 168 ALA CA C 168 55.082 55.082 55.662 -0.580 19045 13248 1 17 . 1 1 168 168 ALA CB C 168 16.505 16.505 18.297 -1.792 19045 13249 1 17 . 1 1 168 168 ALA H H 168 7.935 7.935 7.607 0.328 19045 13250 1 17 . 1 1 169 169 ARG N N 169 118.369 118.369 117.763 0.606 19045 13251 1 17 . 1 1 169 169 ARG HA H 169 3.550 3.550 4.004 -0.454 19045 13252 1 17 . 1 1 169 169 ARG CA C 169 59.581 59.581 58.858 0.723 19045 13253 1 17 . 1 1 169 169 ARG CB C 169 29.380 29.380 29.417 -0.037 19045 13254 1 17 . 1 1 169 169 ARG H H 169 7.936 7.936 8.622 -0.686 19045 13255 1 17 . 1 1 170 170 TRP N N 170 121.173 121.173 121.480 -0.307 19045 13256 1 17 . 1 1 170 170 TRP HA H 170 3.763 3.763 4.270 -0.507 19045 13257 1 17 . 1 1 170 170 TRP CA C 170 62.080 62.080 60.462 1.619 19045 13258 1 17 . 1 1 170 170 TRP CB C 170 29.423 29.423 29.091 0.332 19045 13259 1 17 . 1 1 170 170 TRP H H 170 7.259 7.259 7.267 -0.008 19045 13260 1 17 . 1 1 171 171 ILE N N 171 117.994 117.994 118.660 -0.666 19045 13261 1 17 . 1 1 171 171 ILE HA H 171 2.864 2.864 2.951 -0.087 19045 13262 1 17 . 1 1 171 171 ILE CA C 171 65.347 65.347 64.776 0.571 19045 13263 1 17 . 1 1 171 171 ILE CB C 171 37.781 37.781 37.523 0.258 19045 13264 1 17 . 1 1 171 171 ILE H H 171 8.074 8.074 8.173 -0.099 19045 13265 1 17 . 1 1 172 172 ALA N N 172 123.588 123.588 120.860 2.728 19045 13266 1 17 . 1 1 172 172 ALA HA H 172 3.506 3.506 3.934 -0.428 19045 13267 1 17 . 1 1 172 172 ALA CA C 172 55.685 55.685 54.968 0.717 19045 13268 1 17 . 1 1 172 172 ALA CB C 172 17.050 17.050 18.042 -0.992 19045 13269 1 17 . 1 1 172 172 ALA H H 172 8.511 8.511 8.019 0.492 19045 13270 1 17 . 1 1 173 173 GLN N N 173 117.382 117.382 117.792 -0.410 19045 13271 1 17 . 1 1 173 173 GLN HA H 173 3.854 3.854 3.967 -0.113 19045 13272 1 17 . 1 1 173 173 GLN CA C 173 57.904 57.904 58.053 -0.149 19045 13273 1 17 . 1 1 173 173 GLN CB C 173 28.141 28.141 28.644 -0.503 19045 13274 1 17 . 1 1 173 173 GLN H H 173 7.898 7.898 7.689 0.209 19045 13275 1 17 . 1 1 174 174 ARG N N 174 116.800 116.800 115.275 1.525 19045 13276 1 17 . 1 1 174 174 ARG HA H 174 4.097 4.097 4.056 0.041 19045 13277 1 17 . 1 1 174 174 ARG CA C 174 55.395 55.395 55.719 -0.324 19045 13278 1 17 . 1 1 174 174 ARG CB C 174 29.652 29.652 30.094 -0.442 19045 13279 1 17 . 1 1 174 174 ARG H H 174 6.984 6.984 7.395 -0.411 19045 13280 1 17 . 1 1 175 175 GLY N N 175 104.194 104.194 106.048 -1.854 19045 13281 1 17 . 1 1 175 175 GLY CA C 175 44.340 44.340 44.630 -0.290 19045 13282 1 17 . 1 1 175 175 GLY H H 175 7.418 7.418 7.332 0.086 19045 13283 1 17 . 1 1 176 176 GLY N N 176 107.629 107.629 107.571 0.058 19045 13284 1 17 . 1 1 176 176 GLY CA C 176 43.501 43.501 44.849 -1.348 19045 13285 1 17 . 1 1 176 176 GLY H H 176 8.072 8.072 7.561 0.511 19045 13286 1 17 . 1 1 177 177 TRP N N 177 117.887 117.887 121.210 -3.323 19045 13287 1 17 . 1 1 177 177 TRP HA H 177 4.476 4.476 4.784 -0.308 19045 13288 1 17 . 1 1 177 177 TRP CA C 177 61.083 61.083 59.715 1.368 19045 13289 1 17 . 1 1 177 177 TRP CB C 177 30.927 30.927 29.530 1.397 19045 13290 1 17 . 1 1 177 177 TRP H H 177 8.218 8.218 8.828 -0.610 19045 13291 1 17 . 1 1 178 178 VAL N N 178 112.929 112.929 117.969 -5.040 19045 13292 1 17 . 1 1 178 178 VAL HA H 178 3.688 3.688 3.981 -0.293 19045 13293 1 17 . 1 1 178 178 VAL CA C 178 64.680 64.680 64.190 0.490 19045 13294 1 17 . 1 1 178 178 VAL CB C 178 31.057 31.057 30.584 0.473 19045 13295 1 17 . 1 1 178 178 VAL H H 178 8.284 8.284 7.908 0.376 19045 13296 1 17 . 1 1 179 179 ALA N N 179 125.101 125.101 121.886 3.215 19045 13297 1 17 . 1 1 179 179 ALA HA H 179 4.009 4.009 4.524 -0.515 19045 13298 1 17 . 1 1 179 179 ALA CA C 179 54.344 54.344 52.385 1.959 19045 13299 1 17 . 1 1 179 179 ALA CB C 179 18.555 18.555 19.182 -0.627 19045 13300 1 17 . 1 1 179 179 ALA H H 179 7.670 7.670 7.852 -0.182 19045 13301 1 17 . 1 1 180 180 ALA N N 180 119.081 119.081 122.428 -3.347 19045 13302 1 17 . 1 1 180 180 ALA HA H 180 3.293 3.293 3.511 -0.218 19045 13303 1 17 . 1 1 180 180 ALA CA C 180 52.783 52.783 53.790 -1.007 19045 13304 1 17 . 1 1 180 180 ALA CB C 180 18.113 18.113 18.337 -0.224 19045 13305 1 17 . 1 1 180 180 ALA H H 180 8.058 8.058 7.469 0.589 19045 13306 1 17 . 1 1 181 181 LEU N N 181 114.169 114.169 114.443 -0.274 19045 13307 1 17 . 1 1 181 181 LEU HA H 181 3.911 3.911 4.085 -0.174 19045 13308 1 17 . 1 1 181 181 LEU CA C 181 56.128 56.128 56.631 -0.503 19045 13309 1 17 . 1 1 181 181 LEU CB C 181 40.955 40.955 41.354 -0.399 19045 13310 1 17 . 1 1 181 181 LEU H H 181 7.342 7.342 7.873 -0.531 19045 13311 1 17 . 1 1 182 182 ASN N N 182 115.061 115.061 116.059 -0.998 19045 13312 1 17 . 1 1 182 182 ASN HA H 182 4.743 4.743 4.680 0.063 19045 13313 1 17 . 1 1 182 182 ASN CA C 182 52.508 52.508 52.927 -0.419 19045 13314 1 17 . 1 1 182 182 ASN CB C 182 39.091 39.091 39.192 -0.101 19045 13315 1 17 . 1 1 182 182 ASN H H 182 7.289 7.289 7.486 -0.197 19045 13316 1 17 . 1 1 183 183 LEU N N 183 119.889 119.889 121.088 -1.199 19045 13317 1 17 . 1 1 183 183 LEU HA H 183 4.125 4.125 4.331 -0.206 19045 13318 1 17 . 1 1 183 183 LEU CA C 183 55.201 55.201 54.631 0.570 19045 13319 1 17 . 1 1 183 183 LEU CB C 183 42.174 42.174 41.992 0.182 19045 13320 1 17 . 1 1 183 183 LEU H H 183 7.148 7.148 7.523 -0.375 19045 13321 1 17 . 1 1 184 184 GLY N N 184 107.883 107.883 113.821 -5.938 19045 13322 1 17 . 1 1 184 184 GLY CA C 184 45.256 45.256 45.318 -0.062 19045 13323 1 17 . 1 1 184 184 GLY H H 184 8.486 8.486 8.514 -0.028 19045 13324 1 17 . 1 1 185 185 ASN N N 185 118.093 118.093 121.540 -3.447 19045 13325 1 17 . 1 1 185 185 ASN HA H 185 4.755 4.755 4.783 -0.028 19045 13326 1 17 . 1 1 185 185 ASN CA C 185 52.812 52.812 52.575 0.237 19045 13327 1 17 . 1 1 185 185 ASN CB C 185 39.297 39.297 38.681 0.617 19045 13328 1 17 . 1 1 185 185 ASN H H 185 8.074 8.074 8.401 -0.327 19045 13329 1 18 . 1 1 19 19 LEU N N 19 122.834 122.834 122.686 0.148 19045 13330 1 18 . 1 1 19 19 LEU HA H 19 4.523 4.523 4.733 -0.210 19045 13331 1 18 . 1 1 19 19 LEU CA C 19 52.690 52.690 53.459 -0.769 19045 13332 1 18 . 1 1 19 19 LEU CB C 19 41.808 41.808 41.299 0.509 19045 13333 1 18 . 1 1 19 19 LEU H H 19 8.080 8.080 8.110 -0.030 19045 13334 1 18 . 1 1 20 20 PRO HA H 20 4.353 4.353 4.631 -0.278 19045 13335 1 18 . 1 1 20 20 PRO CA C 20 62.826 62.826 62.472 0.354 19045 13336 1 18 . 1 1 20 20 PRO CB C 20 31.969 31.969 32.692 -0.723 19045 13337 1 18 . 1 1 21 21 SER N N 21 116.268 116.268 114.285 1.983 19045 13338 1 18 . 1 1 21 21 SER HA H 21 4.249 4.249 4.683 -0.434 19045 13339 1 18 . 1 1 21 21 SER CA C 21 58.338 58.338 57.720 0.618 19045 13340 1 18 . 1 1 21 21 SER CB C 21 63.856 63.856 64.597 -0.741 19045 13341 1 18 . 1 1 21 21 SER H H 21 8.246 8.246 8.264 -0.018 19045 13342 1 18 . 1 1 22 22 ALA N N 22 125.246 125.246 123.855 1.391 19045 13343 1 18 . 1 1 22 22 ALA HA H 22 4.405 4.405 4.490 -0.085 19045 13344 1 18 . 1 1 22 22 ALA CA C 22 52.086 52.086 51.954 0.132 19045 13345 1 18 . 1 1 22 22 ALA CB C 22 19.582 19.582 20.390 -0.807 19045 13346 1 18 . 1 1 22 22 ALA H H 22 8.192 8.192 8.197 -0.005 19045 13347 1 18 . 1 1 23 23 SER N N 23 114.236 114.236 113.826 0.410 19045 13348 1 18 . 1 1 23 23 SER HA H 23 4.469 4.469 5.031 -0.562 19045 13349 1 18 . 1 1 23 23 SER CA C 23 57.386 57.386 56.267 1.119 19045 13350 1 18 . 1 1 23 23 SER CB C 23 64.582 64.582 65.186 -0.604 19045 13351 1 18 . 1 1 23 23 SER H H 23 8.081 8.081 8.383 -0.302 19045 13352 1 18 . 1 1 24 24 GLU N N 24 124.005 124.005 122.943 1.062 19045 13353 1 18 . 1 1 24 24 GLU HA H 24 3.534 3.534 3.929 -0.395 19045 13354 1 18 . 1 1 24 24 GLU CA C 24 59.772 59.772 59.820 -0.048 19045 13355 1 18 . 1 1 24 24 GLU CB C 24 29.798 29.798 29.082 0.716 19045 13356 1 18 . 1 1 24 24 GLU H H 24 8.702 8.702 9.010 -0.308 19045 13357 1 18 . 1 1 25 25 GLU N N 25 118.390 118.390 118.723 -0.333 19045 13358 1 18 . 1 1 25 25 GLU HA H 25 3.796 3.796 4.014 -0.218 19045 13359 1 18 . 1 1 25 25 GLU CA C 25 59.939 59.939 59.734 0.205 19045 13360 1 18 . 1 1 25 25 GLU CB C 25 29.217 29.217 29.026 0.190 19045 13361 1 18 . 1 1 25 25 GLU H H 25 8.559 8.559 8.913 -0.354 19045 13362 1 18 . 1 1 26 26 GLN N N 26 120.776 120.776 118.593 2.183 19045 13363 1 18 . 1 1 26 26 GLN HA H 26 3.916 3.916 4.235 -0.319 19045 13364 1 18 . 1 1 26 26 GLN CA C 26 58.343 58.343 58.454 -0.111 19045 13365 1 18 . 1 1 26 26 GLN CB C 26 28.119 28.119 28.014 0.105 19045 13366 1 18 . 1 1 26 26 GLN H H 26 7.764 7.764 7.797 -0.033 19045 13367 1 18 . 1 1 27 27 VAL N N 27 118.723 118.723 121.945 -3.222 19045 13368 1 18 . 1 1 27 27 VAL HA H 27 3.933 3.933 3.880 0.053 19045 13369 1 18 . 1 1 27 27 VAL CA C 27 66.285 66.285 65.598 0.687 19045 13370 1 18 . 1 1 27 27 VAL CB C 27 31.596 31.596 30.899 0.697 19045 13371 1 18 . 1 1 27 27 VAL H H 27 8.062 8.062 8.214 -0.152 19045 13372 1 18 . 1 1 28 28 ALA N N 28 122.902 122.902 121.526 1.376 19045 13373 1 18 . 1 1 28 28 ALA HA H 28 4.026 4.026 4.025 0.001 19045 13374 1 18 . 1 1 28 28 ALA CA C 28 56.178 56.178 55.628 0.550 19045 13375 1 18 . 1 1 28 28 ALA CB C 28 18.463 18.463 18.277 0.185 19045 13376 1 18 . 1 1 28 28 ALA H H 28 8.412 8.412 8.449 -0.037 19045 13377 1 18 . 1 1 29 29 GLN N N 29 117.996 117.996 117.267 0.729 19045 13378 1 18 . 1 1 29 29 GLN HA H 29 4.084 4.084 4.143 -0.059 19045 13379 1 18 . 1 1 29 29 GLN CA C 29 59.063 59.063 58.754 0.309 19045 13380 1 18 . 1 1 29 29 GLN CB C 29 28.452 28.452 28.306 0.146 19045 13381 1 18 . 1 1 29 29 GLN H H 29 7.900 7.900 7.746 0.154 19045 13382 1 18 . 1 1 30 30 ASP N N 30 121.907 121.907 120.257 1.650 19045 13383 1 18 . 1 1 30 30 ASP HA H 30 4.521 4.521 4.732 -0.211 19045 13384 1 18 . 1 1 30 30 ASP CA C 30 57.038 57.038 56.840 0.198 19045 13385 1 18 . 1 1 30 30 ASP CB C 30 41.939 41.939 40.351 1.588 19045 13386 1 18 . 1 1 30 30 ASP H H 30 8.888 8.888 8.386 0.502 19045 13387 1 18 . 1 1 31 31 THR N N 31 114.861 114.861 116.601 -1.740 19045 13388 1 18 . 1 1 31 31 THR HA H 31 3.493 3.493 3.648 -0.155 19045 13389 1 18 . 1 1 31 31 THR CA C 31 66.946 66.946 66.794 0.152 19045 13390 1 18 . 1 1 31 31 THR CB C 31 68.523 68.523 68.957 -0.434 19045 13391 1 18 . 1 1 31 31 THR H H 31 8.069 8.069 8.073 -0.004 19045 13392 1 18 . 1 1 32 32 GLU N N 32 120.848 120.848 121.337 -0.489 19045 13393 1 18 . 1 1 32 32 GLU HA H 32 3.597 3.597 3.825 -0.228 19045 13394 1 18 . 1 1 32 32 GLU CA C 32 60.899 60.899 59.553 1.347 19045 13395 1 18 . 1 1 32 32 GLU CB C 32 28.963 28.963 28.756 0.207 19045 13396 1 18 . 1 1 32 32 GLU H H 32 7.578 7.578 8.119 -0.541 19045 13397 1 18 . 1 1 33 33 GLU N N 33 117.741 117.741 119.808 -2.067 19045 13398 1 18 . 1 1 33 33 GLU HA H 33 3.938 3.938 4.008 -0.070 19045 13399 1 18 . 1 1 33 33 GLU CA C 33 58.768 58.768 58.967 -0.199 19045 13400 1 18 . 1 1 33 33 GLU CB C 33 29.708 29.708 29.074 0.634 19045 13401 1 18 . 1 1 33 33 GLU H H 33 7.446 7.446 7.853 -0.407 19045 13402 1 18 . 1 1 34 34 VAL N N 34 120.239 120.239 120.976 -0.737 19045 13403 1 18 . 1 1 34 34 VAL HA H 34 3.108 3.108 3.556 -0.448 19045 13404 1 18 . 1 1 34 34 VAL CA C 34 66.979 66.979 65.939 1.040 19045 13405 1 18 . 1 1 34 34 VAL CB C 34 31.884 31.884 31.178 0.706 19045 13406 1 18 . 1 1 34 34 VAL H H 34 7.792 7.792 7.462 0.330 19045 13407 1 18 . 1 1 35 35 PHE N N 35 117.559 117.559 120.419 -2.860 19045 13408 1 18 . 1 1 35 35 PHE HA H 35 4.209 4.209 4.101 0.108 19045 13409 1 18 . 1 1 35 35 PHE CA C 35 61.592 61.592 61.872 -0.280 19045 13410 1 18 . 1 1 35 35 PHE CB C 35 39.066 39.066 39.122 -0.056 19045 13411 1 18 . 1 1 35 35 PHE H H 35 8.895 8.895 8.428 0.467 19045 13412 1 18 . 1 1 36 36 ARG N N 36 116.705 116.705 118.892 -2.187 19045 13413 1 18 . 1 1 36 36 ARG HA H 36 3.555 3.555 3.639 -0.084 19045 13414 1 18 . 1 1 36 36 ARG CA C 36 59.906 59.906 59.841 0.065 19045 13415 1 18 . 1 1 36 36 ARG CB C 36 29.654 29.654 29.769 -0.115 19045 13416 1 18 . 1 1 36 36 ARG H H 36 8.182 8.182 8.139 0.043 19045 13417 1 18 . 1 1 37 37 SER N N 37 112.628 112.628 115.626 -2.998 19045 13418 1 18 . 1 1 37 37 SER HA H 37 4.122 4.122 4.008 0.114 19045 13419 1 18 . 1 1 37 37 SER CA C 37 61.258 61.258 61.294 -0.036 19045 13420 1 18 . 1 1 37 37 SER CB C 37 63.089 63.089 63.111 -0.022 19045 13421 1 18 . 1 1 37 37 SER H H 37 7.845 7.845 8.134 -0.289 19045 13422 1 18 . 1 1 38 38 TYR N N 38 122.458 122.458 124.217 -1.759 19045 13423 1 18 . 1 1 38 38 TYR HA H 38 3.927 3.927 4.208 -0.281 19045 13424 1 18 . 1 1 38 38 TYR CA C 38 62.006 62.006 61.925 0.081 19045 13425 1 18 . 1 1 38 38 TYR CB C 38 38.892 38.892 38.398 0.494 19045 13426 1 18 . 1 1 38 38 TYR H H 38 8.793 8.793 7.916 0.877 19045 13427 1 18 . 1 1 39 39 VAL N N 39 115.951 115.951 117.051 -1.100 19045 13428 1 18 . 1 1 39 39 VAL HA H 39 3.209 3.209 3.342 -0.133 19045 13429 1 18 . 1 1 39 39 VAL CA C 39 65.982 65.982 65.367 0.615 19045 13430 1 18 . 1 1 39 39 VAL CB C 39 30.884 30.884 30.427 0.457 19045 13431 1 18 . 1 1 39 39 VAL H H 39 8.348 8.348 8.123 0.225 19045 13432 1 18 . 1 1 40 40 PHE N N 40 119.608 119.608 121.820 -2.212 19045 13433 1 18 . 1 1 40 40 PHE HA H 40 3.915 3.915 3.983 -0.068 19045 13434 1 18 . 1 1 40 40 PHE CA C 40 61.651 61.651 61.455 0.197 19045 13435 1 18 . 1 1 40 40 PHE CB C 40 39.411 39.411 38.795 0.616 19045 13436 1 18 . 1 1 40 40 PHE H H 40 7.596 7.596 7.648 -0.052 19045 13437 1 18 . 1 1 41 41 TYR N N 41 117.686 117.686 118.586 -0.900 19045 13438 1 18 . 1 1 41 41 TYR HA H 41 3.818 3.818 3.867 -0.049 19045 13439 1 18 . 1 1 41 41 TYR CA C 41 63.446 63.446 60.576 2.870 19045 13440 1 18 . 1 1 41 41 TYR CB C 41 37.528 37.528 37.787 -0.259 19045 13441 1 18 . 1 1 41 41 TYR H H 41 8.578 8.578 7.994 0.584 19045 13442 1 18 . 1 1 42 42 ARG N N 42 121.382 121.382 120.431 0.951 19045 13443 1 18 . 1 1 42 42 ARG HA H 42 3.581 3.581 3.817 -0.236 19045 13444 1 18 . 1 1 42 42 ARG CA C 42 57.999 57.999 59.624 -1.625 19045 13445 1 18 . 1 1 42 42 ARG CB C 42 26.992 26.992 29.964 -2.972 19045 13446 1 18 . 1 1 42 42 ARG H H 42 8.784 8.784 7.887 0.897 19045 13447 1 18 . 1 1 43 43 HIS N N 43 118.684 118.684 117.957 0.727 19045 13448 1 18 . 1 1 43 43 HIS HA H 43 4.291 4.291 4.441 -0.150 19045 13449 1 18 . 1 1 43 43 HIS CA C 43 60.041 60.041 59.062 0.979 19045 13450 1 18 . 1 1 43 43 HIS CB C 43 27.938 27.938 30.042 -2.104 19045 13451 1 18 . 1 1 43 43 HIS H H 43 8.268 8.268 8.089 0.179 19045 13452 1 18 . 1 1 44 44 GLN N N 44 117.841 117.841 119.357 -1.516 19045 13453 1 18 . 1 1 44 44 GLN HA H 44 3.638 3.638 3.778 -0.140 19045 13454 1 18 . 1 1 44 44 GLN CA C 44 58.681 58.681 58.986 -0.305 19045 13455 1 18 . 1 1 44 44 GLN CB C 44 28.977 28.977 28.394 0.583 19045 13456 1 18 . 1 1 44 44 GLN H H 44 7.722 7.722 7.960 -0.238 19045 13457 1 18 . 1 1 45 45 GLN N N 45 117.756 117.756 117.742 0.014 19045 13458 1 18 . 1 1 45 45 GLN HA H 45 3.932 3.932 4.045 -0.113 19045 13459 1 18 . 1 1 45 45 GLN CA C 45 57.923 57.923 58.355 -0.432 19045 13460 1 18 . 1 1 45 45 GLN CB C 45 28.039 28.039 28.059 -0.020 19045 13461 1 18 . 1 1 45 45 GLN H H 45 7.808 7.808 8.192 -0.384 19045 13462 1 18 . 1 1 46 46 GLU N N 46 119.876 119.876 120.215 -0.339 19045 13463 1 18 . 1 1 46 46 GLU HA H 46 3.951 3.951 3.891 0.060 19045 13464 1 18 . 1 1 46 46 GLU CA C 46 58.956 58.956 59.454 -0.498 19045 13465 1 18 . 1 1 46 46 GLU CB C 46 29.166 29.166 29.101 0.065 19045 13466 1 18 . 1 1 46 46 GLU H H 46 7.781 7.781 7.707 0.074 19045 13467 1 18 . 1 1 47 47 GLN N N 47 118.282 118.282 116.319 1.963 19045 13468 1 18 . 1 1 47 47 GLN HA H 47 3.800 3.800 4.152 -0.352 19045 13469 1 18 . 1 1 47 47 GLN CA C 47 57.892 57.892 57.518 0.374 19045 13470 1 18 . 1 1 47 47 GLN CB C 47 28.662 28.662 28.197 0.465 19045 13471 1 18 . 1 1 47 47 GLN H H 47 7.775 7.775 7.411 0.364 19045 13472 1 18 . 1 1 48 48 GLU N N 48 118.519 118.519 118.573 -0.054 19045 13473 1 18 . 1 1 48 48 GLU HA H 48 4.009 4.009 4.150 -0.141 19045 13474 1 18 . 1 1 48 48 GLU CA C 48 57.586 57.586 58.378 -0.792 19045 13475 1 18 . 1 1 48 48 GLU CB C 48 28.922 28.922 29.430 -0.508 19045 13476 1 18 . 1 1 48 48 GLU H H 48 7.721 7.721 7.966 -0.245 19045 13477 1 18 . 1 1 49 49 ALA N N 49 121.657 121.657 122.010 -0.353 19045 13478 1 18 . 1 1 49 49 ALA HA H 49 4.140 4.140 4.200 -0.060 19045 13479 1 18 . 1 1 49 49 ALA CA C 49 53.389 53.389 53.629 -0.240 19045 13480 1 18 . 1 1 49 49 ALA CB C 49 19.111 19.111 19.284 -0.173 19045 13481 1 18 . 1 1 49 49 ALA H H 49 7.675 7.675 7.591 0.084 19045 13482 1 18 . 1 1 50 50 GLU N N 50 116.803 116.803 114.780 2.023 19045 13483 1 18 . 1 1 50 50 GLU HA H 50 4.182 4.182 4.529 -0.347 19045 13484 1 18 . 1 1 50 50 GLU CA C 50 56.420 56.420 54.873 1.547 19045 13485 1 18 . 1 1 50 50 GLU CB C 50 29.798 29.798 33.609 -3.811 19045 13486 1 18 . 1 1 50 50 GLU H H 50 8.106 8.106 8.259 -0.153 19045 13487 1 18 . 1 1 51 51 GLY N N 51 109.812 109.812 107.611 2.201 19045 13488 1 18 . 1 1 51 51 GLY CA C 51 45.739 45.739 45.298 0.441 19045 13489 1 18 . 1 1 51 51 GLY H H 51 8.060 8.060 8.487 -0.427 19045 13490 1 18 . 1 1 52 52 VAL N N 52 118.668 118.668 116.037 2.631 19045 13491 1 18 . 1 1 52 52 VAL HA H 52 4.001 4.001 4.357 -0.356 19045 13492 1 18 . 1 1 52 52 VAL CA C 52 62.175 62.175 60.902 1.273 19045 13493 1 18 . 1 1 52 52 VAL CB C 52 32.294 32.294 33.504 -1.210 19045 13494 1 18 . 1 1 52 52 VAL H H 52 7.718 7.718 7.381 0.337 19045 13495 1 18 . 1 1 53 53 ALA N N 53 125.624 125.624 126.029 -0.405 19045 13496 1 18 . 1 1 53 53 ALA HA H 53 4.220 4.220 4.120 0.100 19045 13497 1 18 . 1 1 53 53 ALA CA C 53 51.869 51.869 52.294 -0.425 19045 13498 1 18 . 1 1 53 53 ALA CB C 53 19.065 19.065 17.962 1.103 19045 13499 1 18 . 1 1 53 53 ALA H H 53 8.073 8.073 8.600 -0.527 19045 13500 1 18 . 1 1 54 54 ALA N N 54 123.638 123.638 121.852 1.786 19045 13501 1 18 . 1 1 54 54 ALA HA H 54 4.472 4.472 4.308 0.164 19045 13502 1 18 . 1 1 54 54 ALA CA C 54 49.869 49.869 50.960 -1.091 19045 13503 1 18 . 1 1 54 54 ALA CB C 54 18.488 18.488 19.092 -0.604 19045 13504 1 18 . 1 1 54 54 ALA H H 54 7.718 7.718 8.031 -0.313 19045 13505 1 18 . 1 1 55 55 PRO HA H 55 4.292 4.292 4.726 -0.433 19045 13506 1 18 . 1 1 55 55 PRO CA C 55 62.966 62.966 62.651 0.315 19045 13507 1 18 . 1 1 55 55 PRO CB C 55 31.754 31.754 32.695 -0.941 19045 13508 1 18 . 1 1 56 56 ALA N N 56 124.218 124.218 122.921 1.297 19045 13509 1 18 . 1 1 56 56 ALA HA H 56 4.220 4.220 4.495 -0.275 19045 13510 1 18 . 1 1 56 56 ALA CB C 56 19.119 19.119 19.920 -0.801 19045 13511 1 18 . 1 1 56 56 ALA H H 56 8.259 8.259 8.583 -0.324 19045 13512 1 18 . 1 1 57 57 ASP N N 57 120.884 120.884 120.342 0.542 19045 13513 1 18 . 1 1 57 57 ASP HA H 57 4.572 4.572 5.115 -0.543 19045 13514 1 18 . 1 1 57 57 ASP CA C 57 52.742 52.742 52.102 0.640 19045 13515 1 18 . 1 1 57 57 ASP CB C 57 41.642 41.642 41.914 -0.272 19045 13516 1 18 . 1 1 57 57 ASP H H 57 7.829 7.829 8.473 -0.644 19045 13517 1 18 . 1 1 58 58 PRO HA H 58 4.052 4.052 4.333 -0.281 19045 13518 1 18 . 1 1 58 58 PRO CA C 58 64.128 64.128 63.173 0.955 19045 13519 1 18 . 1 1 58 58 PRO CB C 58 31.989 31.989 32.112 -0.123 19045 13520 1 18 . 1 1 59 59 GLU HA H 59 4.549 4.549 4.342 0.207 19045 13521 1 18 . 1 1 59 59 GLU CA C 59 54.266 54.266 56.243 -1.977 19045 13522 1 18 . 1 1 59 59 GLU CB C 59 29.285 29.285 32.419 -3.134 19045 13523 1 18 . 1 1 60 60 MET HA H 60 3.846 3.846 4.191 -0.345 19045 13524 1 18 . 1 1 60 60 MET CA C 60 57.219 57.219 58.083 -0.864 19045 13525 1 18 . 1 1 60 60 MET CB C 60 31.894 31.894 32.598 -0.704 19045 13526 1 18 . 1 1 60 60 MET H H 60 7.070 7.070 8.658 -1.588 19045 13527 1 18 . 1 1 61 61 VAL N N 61 113.014 113.014 117.796 -4.782 19045 13528 1 18 . 1 1 61 61 VAL HA H 61 4.051 4.051 3.882 0.169 19045 13529 1 18 . 1 1 61 61 VAL CA C 61 62.799 62.799 64.164 -1.365 19045 13530 1 18 . 1 1 61 61 VAL CB C 61 31.993 31.993 31.520 0.473 19045 13531 1 18 . 1 1 61 61 VAL H H 61 6.833 6.833 7.850 -1.017 19045 13532 1 18 . 1 1 62 62 THR N N 62 110.188 110.188 115.547 -5.359 19045 13533 1 18 . 1 1 62 62 THR HA H 62 4.230 4.230 4.208 0.022 19045 13534 1 18 . 1 1 62 62 THR CA C 62 60.947 60.947 64.325 -3.377 19045 13535 1 18 . 1 1 62 62 THR CB C 62 69.192 69.192 69.220 -0.028 19045 13536 1 18 . 1 1 62 62 THR H H 62 7.101 7.101 7.665 -0.564 19045 13537 1 18 . 1 1 63 63 LEU N N 63 125.158 125.158 123.072 2.086 19045 13538 1 18 . 1 1 63 63 LEU HA H 63 4.205 4.205 4.788 -0.583 19045 13539 1 18 . 1 1 63 63 LEU CA C 63 52.688 52.688 51.366 1.322 19045 13540 1 18 . 1 1 63 63 LEU CB C 63 42.252 42.252 43.613 -1.361 19045 13541 1 18 . 1 1 63 63 LEU H H 63 7.079 7.079 7.717 -0.638 19045 13542 1 18 . 1 1 64 64 PRO HA H 64 4.282 4.282 4.390 -0.108 19045 13543 1 18 . 1 1 64 64 PRO CA C 64 62.613 62.613 62.519 0.094 19045 13544 1 18 . 1 1 64 64 PRO CB C 64 30.705 30.705 31.031 -0.326 19045 13545 1 18 . 1 1 65 65 LEU N N 65 122.384 122.384 125.188 -2.804 19045 13546 1 18 . 1 1 65 65 LEU HA H 65 4.234 4.234 4.251 -0.017 19045 13547 1 18 . 1 1 65 65 LEU CA C 65 54.499 54.499 54.978 -0.479 19045 13548 1 18 . 1 1 65 65 LEU CB C 65 43.438 43.438 42.905 0.533 19045 13549 1 18 . 1 1 65 65 LEU H H 65 7.653 7.653 7.670 -0.017 19045 13550 1 18 . 1 1 66 66 GLN N N 66 121.802 121.802 122.585 -0.783 19045 13551 1 18 . 1 1 66 66 GLN HA H 66 4.209 4.209 4.765 -0.556 19045 13552 1 18 . 1 1 66 66 GLN CA C 66 52.783 52.783 53.149 -0.366 19045 13553 1 18 . 1 1 66 66 GLN CB C 66 28.136 28.136 28.998 -0.862 19045 13554 1 18 . 1 1 66 66 GLN H H 66 8.634 8.634 8.658 -0.024 19045 13555 1 18 . 1 1 67 67 PRO HA H 67 4.139 4.139 4.475 -0.336 19045 13556 1 18 . 1 1 67 67 PRO CA C 67 64.488 64.488 64.012 0.476 19045 13557 1 18 . 1 1 67 67 PRO CB C 67 32.003 32.003 31.875 0.128 19045 13558 1 18 . 1 1 68 68 SER N N 68 111.024 111.024 113.669 -2.645 19045 13559 1 18 . 1 1 68 68 SER HA H 68 4.313 4.313 4.593 -0.280 19045 13560 1 18 . 1 1 68 68 SER CA C 68 57.991 57.991 58.436 -0.445 19045 13561 1 18 . 1 1 68 68 SER CB C 68 63.252 63.252 63.194 0.058 19045 13562 1 18 . 1 1 68 68 SER H H 68 8.119 8.119 8.416 -0.297 19045 13563 1 18 . 1 1 69 69 SER N N 69 117.598 117.598 114.977 2.621 19045 13564 1 18 . 1 1 69 69 SER HA H 69 4.440 4.440 4.792 -0.352 19045 13565 1 18 . 1 1 69 69 SER CA C 69 57.518 57.518 57.535 -0.017 19045 13566 1 18 . 1 1 69 69 SER CB C 69 64.587 64.587 64.953 -0.366 19045 13567 1 18 . 1 1 69 69 SER H H 69 7.723 7.723 7.480 0.243 19045 13568 1 18 . 1 1 70 70 THR N N 70 121.887 121.887 118.990 2.897 19045 13569 1 18 . 1 1 70 70 THR HA H 70 3.873 3.873 3.983 -0.110 19045 13570 1 18 . 1 1 70 70 THR CA C 70 66.723 66.723 66.169 0.554 19045 13571 1 18 . 1 1 70 70 THR CB C 70 68.385 68.385 69.029 -0.644 19045 13572 1 18 . 1 1 70 70 THR H H 70 8.827 8.827 8.722 0.105 19045 13573 1 18 . 1 1 71 71 MET N N 71 117.344 117.344 120.518 -3.174 19045 13574 1 18 . 1 1 71 71 MET HA H 71 4.469 4.469 4.174 0.295 19045 13575 1 18 . 1 1 71 71 MET CA C 71 56.260 56.260 59.690 -3.430 19045 13576 1 18 . 1 1 71 71 MET CB C 71 31.696 31.696 31.884 -0.188 19045 13577 1 18 . 1 1 71 71 MET H H 71 8.454 8.454 8.296 0.158 19045 13578 1 18 . 1 1 72 72 GLY N N 72 108.884 108.884 103.454 5.430 19045 13579 1 18 . 1 1 72 72 GLY CA C 72 46.884 46.884 46.970 -0.086 19045 13580 1 18 . 1 1 72 72 GLY H H 72 7.979 7.979 8.054 -0.075 19045 13581 1 18 . 1 1 73 73 GLN N N 73 121.522 121.522 119.679 1.843 19045 13582 1 18 . 1 1 73 73 GLN HA H 73 3.857 3.857 4.377 -0.520 19045 13583 1 18 . 1 1 73 73 GLN CA C 73 58.220 58.220 57.681 0.539 19045 13584 1 18 . 1 1 73 73 GLN CB C 73 28.309 28.309 28.948 -0.639 19045 13585 1 18 . 1 1 73 73 GLN H H 73 7.859 7.859 7.783 0.076 19045 13586 1 18 . 1 1 74 74 VAL N N 74 121.291 121.291 121.639 -0.348 19045 13587 1 18 . 1 1 74 74 VAL HA H 74 3.359 3.359 3.678 -0.319 19045 13588 1 18 . 1 1 74 74 VAL CA C 74 67.150 67.150 66.332 0.818 19045 13589 1 18 . 1 1 74 74 VAL CB C 74 31.249 31.249 31.412 -0.163 19045 13590 1 18 . 1 1 74 74 VAL H H 74 8.155 8.155 8.015 0.140 19045 13591 1 18 . 1 1 75 75 GLY N N 75 105.037 105.037 105.622 -0.585 19045 13592 1 18 . 1 1 75 75 GLY CA C 75 48.385 48.385 47.535 0.850 19045 13593 1 18 . 1 1 75 75 GLY H H 75 8.154 8.154 7.944 0.210 19045 13594 1 18 . 1 1 76 76 ARG N N 76 119.292 119.292 121.497 -2.205 19045 13595 1 18 . 1 1 76 76 ARG HA H 76 3.320 3.320 3.832 -0.512 19045 13596 1 18 . 1 1 76 76 ARG CA C 76 59.540 59.540 59.286 0.254 19045 13597 1 18 . 1 1 76 76 ARG CB C 76 30.130 30.130 29.901 0.229 19045 13598 1 18 . 1 1 76 76 ARG H H 76 7.512 7.512 7.901 -0.389 19045 13599 1 18 . 1 1 77 77 GLN N N 77 118.008 118.008 119.111 -1.103 19045 13600 1 18 . 1 1 77 77 GLN HA H 77 3.951 3.951 4.058 -0.107 19045 13601 1 18 . 1 1 77 77 GLN CA C 77 58.337 58.337 58.889 -0.552 19045 13602 1 18 . 1 1 77 77 GLN CB C 77 27.512 27.512 28.276 -0.764 19045 13603 1 18 . 1 1 77 77 GLN H H 77 7.852 7.852 7.701 0.151 19045 13604 1 18 . 1 1 78 78 LEU N N 78 116.018 116.018 119.671 -3.653 19045 13605 1 18 . 1 1 78 78 LEU HA H 78 4.078 4.078 4.016 0.062 19045 13606 1 18 . 1 1 78 78 LEU CA C 78 57.391 57.391 58.100 -0.709 19045 13607 1 18 . 1 1 78 78 LEU CB C 78 40.999 40.999 41.770 -0.771 19045 13608 1 18 . 1 1 78 78 LEU H H 78 8.412 8.412 8.504 -0.092 19045 13609 1 18 . 1 1 79 79 ALA N N 79 120.914 120.914 120.203 0.711 19045 13610 1 18 . 1 1 79 79 ALA HA H 79 3.896 3.896 4.059 -0.163 19045 13611 1 18 . 1 1 79 79 ALA CA C 79 54.789 54.789 54.693 0.096 19045 13612 1 18 . 1 1 79 79 ALA CB C 79 17.880 17.880 18.233 -0.353 19045 13613 1 18 . 1 1 79 79 ALA H H 79 7.789 7.789 8.076 -0.287 19045 13614 1 18 . 1 1 80 80 ILE N N 80 117.984 117.984 118.535 -0.551 19045 13615 1 18 . 1 1 80 80 ILE HA H 80 3.895 3.895 3.853 0.042 19045 13616 1 18 . 1 1 80 80 ILE CA C 80 63.576 63.576 64.465 -0.889 19045 13617 1 18 . 1 1 80 80 ILE CB C 80 38.607 38.607 38.579 0.028 19045 13618 1 18 . 1 1 80 80 ILE H H 80 7.690 7.690 7.492 0.198 19045 13619 1 18 . 1 1 81 81 ILE HA H 81 3.984 3.984 3.932 0.052 19045 13620 1 18 . 1 1 81 81 ILE CA C 81 63.608 63.608 64.270 -0.662 19045 13621 1 18 . 1 1 81 81 ILE CB C 81 37.587 37.587 37.366 0.221 19045 13622 1 18 . 1 1 81 81 ILE H H 81 7.910 7.910 8.157 -0.247 19045 13623 1 18 . 1 1 82 82 GLY CA C 82 45.566 45.566 44.694 0.872 19045 13624 1 18 . 1 1 82 82 GLY H H 82 7.765 7.765 8.293 -0.528 19045 13625 1 18 . 1 1 83 83 ASP N N 83 119.914 119.914 123.028 -3.114 19045 13626 1 18 . 1 1 83 83 ASP HA H 83 4.332 4.332 4.412 -0.080 19045 13627 1 18 . 1 1 83 83 ASP CA C 83 58.161 58.161 58.259 -0.098 19045 13628 1 18 . 1 1 83 83 ASP CB C 83 41.771 41.771 41.171 0.600 19045 13629 1 18 . 1 1 83 83 ASP H H 83 7.400 7.400 7.770 -0.370 19045 13630 1 18 . 1 1 84 84 ASP N N 84 116.566 116.566 119.001 -2.435 19045 13631 1 18 . 1 1 84 84 ASP HA H 84 4.200 4.200 4.457 -0.257 19045 13632 1 18 . 1 1 84 84 ASP CA C 84 57.270 57.270 57.451 -0.181 19045 13633 1 18 . 1 1 84 84 ASP CB C 84 40.593 40.593 40.837 -0.244 19045 13634 1 18 . 1 1 84 84 ASP H H 84 8.523 8.523 8.096 0.427 19045 13635 1 18 . 1 1 85 85 ILE N N 85 120.454 120.454 119.476 0.978 19045 13636 1 18 . 1 1 85 85 ILE HA H 85 3.753 3.753 3.776 -0.023 19045 13637 1 18 . 1 1 85 85 ILE CA C 85 63.782 63.782 64.977 -1.195 19045 13638 1 18 . 1 1 85 85 ILE CB C 85 37.546 37.546 37.321 0.225 19045 13639 1 18 . 1 1 85 85 ILE H H 85 7.707 7.707 8.100 -0.393 19045 13640 1 18 . 1 1 86 86 ASN N N 86 118.583 118.583 118.743 -0.160 19045 13641 1 18 . 1 1 86 86 ASN HA H 86 4.472 4.472 4.513 -0.041 19045 13642 1 18 . 1 1 86 86 ASN CA C 86 56.087 56.087 56.112 -0.025 19045 13643 1 18 . 1 1 86 86 ASN CB C 86 37.614 37.614 38.094 -0.480 19045 13644 1 18 . 1 1 86 86 ASN H H 86 8.440 8.440 8.105 0.335 19045 13645 1 18 . 1 1 87 87 ARG N N 87 117.819 117.819 119.275 -1.456 19045 13646 1 18 . 1 1 87 87 ARG HA H 87 4.043 4.043 4.088 -0.045 19045 13647 1 18 . 1 1 87 87 ARG CA C 87 59.035 59.035 58.904 0.131 19045 13648 1 18 . 1 1 87 87 ARG CB C 87 29.845 29.845 29.672 0.173 19045 13649 1 18 . 1 1 87 87 ARG H H 87 8.214 8.214 8.122 0.092 19045 13650 1 18 . 1 1 88 88 ARG N N 88 117.971 117.971 119.761 -1.790 19045 13651 1 18 . 1 1 88 88 ARG HA H 88 3.965 3.965 3.954 0.011 19045 13652 1 18 . 1 1 88 88 ARG CA C 88 58.161 58.161 59.301 -1.140 19045 13653 1 18 . 1 1 88 88 ARG CB C 88 30.376 30.376 30.154 0.222 19045 13654 1 18 . 1 1 88 88 ARG H H 88 7.438 7.438 7.836 -0.398 19045 13655 1 18 . 1 1 89 89 TYR N N 89 114.591 114.591 116.881 -2.290 19045 13656 1 18 . 1 1 89 89 TYR HA H 89 4.753 4.753 4.406 0.347 19045 13657 1 18 . 1 1 89 89 TYR CA C 89 59.481 59.481 59.584 -0.103 19045 13658 1 18 . 1 1 89 89 TYR CB C 89 39.610 39.610 37.438 2.172 19045 13659 1 18 . 1 1 89 89 TYR H H 89 7.635 7.635 8.071 -0.436 19045 13660 1 18 . 1 1 90 90 ASP HA H 90 4.820 4.820 4.714 0.106 19045 13661 1 18 . 1 1 90 90 ASP CA C 90 58.200 58.200 57.011 1.189 19045 13662 1 18 . 1 1 90 90 ASP CB C 90 41.407 41.407 40.410 0.997 19045 13663 1 18 . 1 1 90 90 ASP H H 90 8.282 8.282 8.335 -0.053 19045 13664 1 18 . 1 1 91 91 SER N N 91 115.266 115.266 115.869 -0.603 19045 13665 1 18 . 1 1 91 91 SER HA H 91 4.170 4.170 4.168 0.002 19045 13666 1 18 . 1 1 91 91 SER CA C 91 61.780 61.780 62.177 -0.397 19045 13667 1 18 . 1 1 91 91 SER CB C 91 61.891 61.891 63.167 -1.276 19045 13668 1 18 . 1 1 91 91 SER H H 91 8.717 8.717 7.676 1.041 19045 13669 1 18 . 1 1 92 92 GLU N N 92 122.093 122.093 120.087 2.006 19045 13670 1 18 . 1 1 92 92 GLU HA H 92 4.056 4.056 4.212 -0.156 19045 13671 1 18 . 1 1 92 92 GLU CA C 92 58.928 58.928 58.609 0.319 19045 13672 1 18 . 1 1 92 92 GLU CB C 92 29.796 29.796 29.528 0.268 19045 13673 1 18 . 1 1 92 92 GLU H H 92 8.025 8.025 8.451 -0.426 19045 13674 1 18 . 1 1 93 93 PHE HA H 93 4.171 4.171 4.044 0.127 19045 13675 1 18 . 1 1 93 93 PHE CA C 93 60.704 60.704 61.569 -0.865 19045 13676 1 18 . 1 1 93 93 PHE CB C 93 38.780 38.780 39.102 -0.322 19045 13677 1 18 . 1 1 93 93 PHE H H 93 7.801 7.801 7.803 -0.002 19045 13678 1 18 . 1 1 94 94 GLN N N 94 118.578 118.578 117.053 1.525 19045 13679 1 18 . 1 1 94 94 GLN HA H 94 3.847 3.847 4.044 -0.197 19045 13680 1 18 . 1 1 94 94 GLN CA C 94 59.981 59.981 58.730 1.251 19045 13681 1 18 . 1 1 94 94 GLN CB C 94 28.415 28.415 28.017 0.398 19045 13682 1 18 . 1 1 94 94 GLN H H 94 8.609 8.609 8.596 0.013 19045 13683 1 18 . 1 1 95 95 THR N N 95 116.128 116.128 117.977 -1.849 19045 13684 1 18 . 1 1 95 95 THR HA H 95 3.811 3.811 3.964 -0.153 19045 13685 1 18 . 1 1 95 95 THR CA C 95 66.391 66.391 66.106 0.285 19045 13686 1 18 . 1 1 95 95 THR CB C 95 68.361 68.361 68.562 -0.201 19045 13687 1 18 . 1 1 95 95 THR H H 95 7.826 7.826 7.406 0.420 19045 13688 1 18 . 1 1 96 96 MET N N 96 120.474 120.474 117.829 2.645 19045 13689 1 18 . 1 1 96 96 MET HA H 96 3.933 3.933 3.940 -0.007 19045 13690 1 18 . 1 1 96 96 MET CA C 96 59.949 59.949 58.024 1.925 19045 13691 1 18 . 1 1 96 96 MET CB C 96 33.087 33.087 31.959 1.128 19045 13692 1 18 . 1 1 96 96 MET H H 96 7.728 7.728 7.633 0.095 19045 13693 1 18 . 1 1 97 97 LEU N N 97 118.904 118.904 120.639 -1.735 19045 13694 1 18 . 1 1 97 97 LEU HA H 97 3.604 3.604 3.657 -0.053 19045 13695 1 18 . 1 1 97 97 LEU CA C 97 57.771 57.771 57.394 0.377 19045 13696 1 18 . 1 1 97 97 LEU CB C 97 40.836 40.836 41.057 -0.221 19045 13697 1 18 . 1 1 97 97 LEU H H 97 8.112 8.112 7.773 0.339 19045 13698 1 18 . 1 1 98 98 GLN N N 98 116.798 116.798 116.288 0.510 19045 13699 1 18 . 1 1 98 98 GLN HA H 98 4.003 4.003 4.098 -0.095 19045 13700 1 18 . 1 1 98 98 GLN CA C 98 58.337 58.337 58.101 0.236 19045 13701 1 18 . 1 1 98 98 GLN CB C 98 27.659 27.659 28.785 -1.126 19045 13702 1 18 . 1 1 98 98 GLN H H 98 7.754 7.754 7.862 -0.108 19045 13703 1 18 . 1 1 99 99 HIS N N 99 115.943 115.943 116.293 -0.350 19045 13704 1 18 . 1 1 99 99 HIS HA H 99 4.442 4.442 4.412 0.030 19045 13705 1 18 . 1 1 99 99 HIS CA C 99 57.025 57.025 56.677 0.348 19045 13706 1 18 . 1 1 99 99 HIS CB C 99 28.848 28.848 30.131 -1.283 19045 13707 1 18 . 1 1 99 99 HIS H H 99 7.504 7.504 7.461 0.043 19045 13708 1 18 . 1 1 100 100 LEU N N 100 121.347 121.347 120.398 0.949 19045 13709 1 18 . 1 1 100 100 LEU HA H 100 3.803 3.803 3.910 -0.107 19045 13710 1 18 . 1 1 100 100 LEU CA C 100 56.801 56.801 56.968 -0.167 19045 13711 1 18 . 1 1 100 100 LEU CB C 100 42.563 42.563 42.490 0.073 19045 13712 1 18 . 1 1 100 100 LEU H H 100 8.013 8.013 7.450 0.563 19045 13713 1 18 . 1 1 101 101 GLN N N 101 110.029 110.029 114.502 -4.473 19045 13714 1 18 . 1 1 101 101 GLN HA H 101 4.003 4.003 4.124 -0.121 19045 13715 1 18 . 1 1 101 101 GLN CA C 101 55.685 55.685 55.905 -0.220 19045 13716 1 18 . 1 1 101 101 GLN CB C 101 27.301 27.301 26.738 0.563 19045 13717 1 18 . 1 1 101 101 GLN H H 101 7.763 7.763 7.714 0.049 19045 13718 1 18 . 1 1 102 102 PRO HA H 102 4.926 4.926 4.410 0.516 19045 13719 1 18 . 1 1 102 102 PRO CA C 102 62.372 62.372 62.843 -0.471 19045 13720 1 18 . 1 1 102 102 PRO CB C 102 31.963 31.963 32.662 -0.699 19045 13721 1 18 . 1 1 103 103 THR N N 103 114.119 114.119 109.523 4.596 19045 13722 1 18 . 1 1 103 103 THR HA H 103 4.420 4.420 4.583 -0.163 19045 13723 1 18 . 1 1 103 103 THR CA C 103 58.716 58.716 59.586 -0.870 19045 13724 1 18 . 1 1 103 103 THR CB C 103 72.929 72.929 72.053 0.876 19045 13725 1 18 . 1 1 103 103 THR H H 103 9.386 9.386 8.810 0.576 19045 13726 1 18 . 1 1 104 104 ALA N N 104 120.374 120.374 121.482 -1.108 19045 13727 1 18 . 1 1 104 104 ALA HA H 104 3.737 3.737 4.073 -0.336 19045 13728 1 18 . 1 1 104 104 ALA CA C 104 54.782 54.782 53.851 0.931 19045 13729 1 18 . 1 1 104 104 ALA CB C 104 18.050 18.050 17.964 0.086 19045 13730 1 18 . 1 1 104 104 ALA H H 104 8.723 8.723 8.341 0.382 19045 13731 1 18 . 1 1 105 105 GLU N N 105 113.834 113.834 115.693 -1.859 19045 13732 1 18 . 1 1 105 105 GLU HA H 105 4.122 4.122 4.307 -0.185 19045 13733 1 18 . 1 1 105 105 GLU CA C 105 58.707 58.707 58.724 -0.017 19045 13734 1 18 . 1 1 105 105 GLU CB C 105 29.445 29.445 29.670 -0.225 19045 13735 1 18 . 1 1 105 105 GLU H H 105 7.969 7.969 8.462 -0.493 19045 13736 1 18 . 1 1 106 106 ASN N N 106 114.135 114.135 115.468 -1.333 19045 13737 1 18 . 1 1 106 106 ASN HA H 106 4.781 4.781 4.287 0.494 19045 13738 1 18 . 1 1 106 106 ASN CA C 106 52.222 52.222 51.561 0.661 19045 13739 1 18 . 1 1 106 106 ASN CB C 106 38.983 38.983 37.451 1.532 19045 13740 1 18 . 1 1 106 106 ASN H H 106 7.151 7.151 7.773 -0.622 19045 13741 1 18 . 1 1 107 107 ALA N N 107 121.280 121.280 124.187 -2.907 19045 13742 1 18 . 1 1 107 107 ALA HA H 107 3.858 3.858 4.081 -0.223 19045 13743 1 18 . 1 1 107 107 ALA CA C 107 56.988 56.988 55.749 1.239 19045 13744 1 18 . 1 1 107 107 ALA CB C 107 18.278 18.278 18.790 -0.511 19045 13745 1 18 . 1 1 107 107 ALA H H 107 7.940 7.940 7.424 0.516 19045 13746 1 18 . 1 1 108 108 TYR N N 108 117.339 117.339 115.657 1.682 19045 13747 1 18 . 1 1 108 108 TYR HA H 108 3.048 3.048 3.889 -0.841 19045 13748 1 18 . 1 1 108 108 TYR CA C 108 60.578 60.578 60.047 0.531 19045 13749 1 18 . 1 1 108 108 TYR CB C 108 36.804 36.804 36.436 0.368 19045 13750 1 18 . 1 1 108 108 TYR H H 108 8.783 8.783 7.681 1.102 19045 13751 1 18 . 1 1 109 109 GLU N N 109 123.316 123.316 121.033 2.283 19045 13752 1 18 . 1 1 109 109 GLU HA H 109 3.681 3.681 3.754 -0.073 19045 13753 1 18 . 1 1 109 109 GLU CA C 109 59.152 59.152 58.775 0.377 19045 13754 1 18 . 1 1 109 109 GLU CB C 109 28.782 28.782 28.542 0.240 19045 13755 1 18 . 1 1 109 109 GLU H H 109 8.084 8.084 7.319 0.765 19045 13756 1 18 . 1 1 110 110 TYR N N 110 117.254 117.254 118.452 -1.198 19045 13757 1 18 . 1 1 110 110 TYR HA H 110 4.339 4.339 4.223 0.116 19045 13758 1 18 . 1 1 110 110 TYR CA C 110 58.527 58.527 60.806 -2.279 19045 13759 1 18 . 1 1 110 110 TYR CB C 110 36.323 36.323 38.319 -1.996 19045 13760 1 18 . 1 1 110 110 TYR H H 110 8.282 8.282 7.667 0.615 19045 13761 1 18 . 1 1 111 111 PHE N N 111 119.028 119.028 120.206 -1.178 19045 13762 1 18 . 1 1 111 111 PHE HA H 111 3.889 3.889 4.219 -0.330 19045 13763 1 18 . 1 1 111 111 PHE CA C 111 62.350 62.350 61.169 1.181 19045 13764 1 18 . 1 1 111 111 PHE CB C 111 39.369 39.369 39.088 0.281 19045 13765 1 18 . 1 1 111 111 PHE H H 111 9.197 9.197 8.631 0.566 19045 13766 1 18 . 1 1 112 112 THR N N 112 113.669 113.669 111.886 1.783 19045 13767 1 18 . 1 1 112 112 THR HA H 112 3.411 3.411 3.137 0.274 19045 13768 1 18 . 1 1 112 112 THR CA C 112 67.185 67.185 66.370 0.815 19045 13769 1 18 . 1 1 112 112 THR CB C 112 68.294 68.294 68.320 -0.026 19045 13770 1 18 . 1 1 112 112 THR H H 112 8.315 8.315 8.663 -0.348 19045 13771 1 18 . 1 1 113 113 LYS N N 113 124.090 124.090 122.256 1.834 19045 13772 1 18 . 1 1 113 113 LYS HA H 113 3.854 3.854 4.096 -0.242 19045 13773 1 18 . 1 1 113 113 LYS CA C 113 60.416 60.416 58.778 1.638 19045 13774 1 18 . 1 1 113 113 LYS CB C 113 33.219 33.219 32.072 1.147 19045 13775 1 18 . 1 1 113 113 LYS H H 113 8.335 8.335 7.339 0.996 19045 13776 1 18 . 1 1 114 114 ILE N N 114 120.457 120.457 119.561 0.896 19045 13777 1 18 . 1 1 114 114 ILE HA H 114 3.145 3.145 3.658 -0.513 19045 13778 1 18 . 1 1 114 114 ILE CA C 114 65.550 65.550 63.260 2.290 19045 13779 1 18 . 1 1 114 114 ILE CB C 114 37.402 37.402 36.217 1.185 19045 13780 1 18 . 1 1 114 114 ILE H H 114 8.042 8.042 7.795 0.247 19045 13781 1 18 . 1 1 115 115 ALA N N 115 121.066 121.066 121.673 -0.607 19045 13782 1 18 . 1 1 115 115 ALA HA H 115 3.219 3.219 3.938 -0.719 19045 13783 1 18 . 1 1 115 115 ALA CA C 115 54.940 54.940 55.394 -0.454 19045 13784 1 18 . 1 1 115 115 ALA CB C 115 16.345 16.345 17.354 -1.009 19045 13785 1 18 . 1 1 115 115 ALA H H 115 8.208 8.208 8.103 0.105 19045 13786 1 18 . 1 1 116 116 THR N N 116 112.803 112.803 115.697 -2.894 19045 13787 1 18 . 1 1 116 116 THR HA H 116 3.808 3.808 4.323 -0.515 19045 13788 1 18 . 1 1 116 116 THR CA C 116 67.557 67.557 65.710 1.847 19045 13789 1 18 . 1 1 116 116 THR CB C 116 68.431 68.431 68.950 -0.519 19045 13790 1 18 . 1 1 116 116 THR H H 116 7.893 7.893 7.826 0.067 19045 13791 1 18 . 1 1 117 117 SER N N 117 115.935 115.935 116.176 -0.241 19045 13792 1 18 . 1 1 117 117 SER HA H 117 4.070 4.070 4.335 -0.265 19045 13793 1 18 . 1 1 117 117 SER CA C 117 61.879 61.879 61.761 0.118 19045 13794 1 18 . 1 1 117 117 SER CB C 117 62.907 62.907 63.326 -0.419 19045 13795 1 18 . 1 1 117 117 SER H H 117 7.139 7.139 7.945 -0.806 19045 13796 1 18 . 1 1 118 118 LEU N N 118 123.462 123.462 124.473 -1.011 19045 13797 1 18 . 1 1 118 118 LEU HA H 118 3.596 3.596 3.900 -0.304 19045 13798 1 18 . 1 1 118 118 LEU CA C 118 58.014 58.014 57.403 0.611 19045 13799 1 18 . 1 1 118 118 LEU CB C 118 41.687 41.687 41.816 -0.128 19045 13800 1 18 . 1 1 118 118 LEU H H 118 7.844 7.844 7.762 0.082 19045 13801 1 18 . 1 1 119 119 PHE N N 119 110.270 110.270 113.411 -3.141 19045 13802 1 18 . 1 1 119 119 PHE HA H 119 4.721 4.721 4.836 -0.115 19045 13803 1 18 . 1 1 119 119 PHE CA C 119 58.698 58.698 57.608 1.090 19045 13804 1 18 . 1 1 119 119 PHE CB C 119 38.838 38.838 38.294 0.544 19045 13805 1 18 . 1 1 119 119 PHE H H 119 6.878 6.878 8.381 -1.503 19045 13806 1 18 . 1 1 120 120 GLU N N 120 123.135 123.135 119.277 3.858 19045 13807 1 18 . 1 1 120 120 GLU HA H 120 4.016 4.016 4.263 -0.247 19045 13808 1 18 . 1 1 120 120 GLU CA C 120 59.532 59.532 58.141 1.391 19045 13809 1 18 . 1 1 120 120 GLU CB C 120 29.337 29.337 30.145 -0.808 19045 13810 1 18 . 1 1 120 120 GLU H H 120 7.551 7.551 7.705 -0.154 19045 13811 1 18 . 1 1 121 121 SER N N 121 107.983 107.983 113.807 -5.824 19045 13812 1 18 . 1 1 121 121 SER HA H 121 4.522 4.522 4.548 -0.026 19045 13813 1 18 . 1 1 121 121 SER CA C 121 57.342 57.342 58.855 -1.513 19045 13814 1 18 . 1 1 121 121 SER CB C 121 63.353 63.353 64.640 -1.287 19045 13815 1 18 . 1 1 121 121 SER H H 121 7.712 7.712 8.013 -0.301 19045 13816 1 18 . 1 1 122 122 GLY N N 122 110.748 110.748 108.247 2.501 19045 13817 1 18 . 1 1 122 122 GLY CA C 122 44.419 44.419 45.070 -0.651 19045 13818 1 18 . 1 1 122 122 GLY H H 122 7.317 7.317 7.890 -0.573 19045 13819 1 18 . 1 1 123 123 ILE N N 123 117.061 117.061 119.157 -2.096 19045 13820 1 18 . 1 1 123 123 ILE HA H 123 3.724 3.724 4.326 -0.602 19045 13821 1 18 . 1 1 123 123 ILE CA C 123 61.383 61.383 60.381 1.002 19045 13822 1 18 . 1 1 123 123 ILE CB C 123 40.588 40.588 39.248 1.340 19045 13823 1 18 . 1 1 123 123 ILE H H 123 7.963 7.963 8.348 -0.385 19045 13824 1 18 . 1 1 124 124 ASN N N 124 117.915 117.915 122.838 -4.923 19045 13825 1 18 . 1 1 124 124 ASN HA H 124 4.204 4.204 4.938 -0.734 19045 13826 1 18 . 1 1 124 124 ASN CA C 124 51.886 51.886 52.382 -0.496 19045 13827 1 18 . 1 1 124 124 ASN CB C 124 39.033 39.033 41.253 -2.220 19045 13828 1 18 . 1 1 124 124 ASN H H 124 6.434 6.434 7.985 -1.551 19045 13829 1 18 . 1 1 125 125 TRP N N 125 119.673 119.673 123.236 -3.563 19045 13830 1 18 . 1 1 125 125 TRP HA H 125 4.470 4.470 4.528 -0.058 19045 13831 1 18 . 1 1 125 125 TRP CA C 125 61.257 61.257 61.028 0.229 19045 13832 1 18 . 1 1 125 125 TRP CB C 125 30.287 30.287 29.544 0.743 19045 13833 1 18 . 1 1 125 125 TRP H H 125 8.824 8.824 9.103 -0.279 19045 13834 1 18 . 1 1 126 126 GLY N N 126 107.516 107.516 105.957 1.559 19045 13835 1 18 . 1 1 126 126 GLY CA C 126 48.294 48.294 47.355 0.939 19045 13836 1 18 . 1 1 126 126 GLY H H 126 9.118 9.118 8.816 0.302 19045 13837 1 18 . 1 1 127 127 ARG N N 127 119.610 119.610 121.553 -1.943 19045 13838 1 18 . 1 1 127 127 ARG HA H 127 3.742 3.742 3.881 -0.139 19045 13839 1 18 . 1 1 127 127 ARG CA C 127 59.551 59.551 59.290 0.261 19045 13840 1 18 . 1 1 127 127 ARG CB C 127 31.163 31.163 29.770 1.393 19045 13841 1 18 . 1 1 127 127 ARG H H 127 8.616 8.616 7.363 1.253 19045 13842 1 18 . 1 1 128 128 VAL N N 128 120.289 120.289 119.120 1.169 19045 13843 1 18 . 1 1 128 128 VAL HA H 128 3.662 3.662 3.961 -0.299 19045 13844 1 18 . 1 1 128 128 VAL CA C 128 68.387 68.387 66.648 1.739 19045 13845 1 18 . 1 1 128 128 VAL CB C 128 31.127 31.127 31.318 -0.191 19045 13846 1 18 . 1 1 128 128 VAL H H 128 7.762 7.762 8.124 -0.362 19045 13847 1 18 . 1 1 129 129 VAL N N 129 119.577 119.577 119.721 -0.144 19045 13848 1 18 . 1 1 129 129 VAL HA H 129 3.449 3.449 3.649 -0.200 19045 13849 1 18 . 1 1 129 129 VAL CA C 129 67.772 67.772 66.752 1.020 19045 13850 1 18 . 1 1 129 129 VAL CB C 129 30.918 30.918 31.508 -0.590 19045 13851 1 18 . 1 1 129 129 VAL H H 129 8.433 8.433 7.689 0.744 19045 13852 1 18 . 1 1 130 130 ALA N N 130 123.330 123.330 123.329 0.001 19045 13853 1 18 . 1 1 130 130 ALA HA H 130 4.069 4.069 4.377 -0.308 19045 13854 1 18 . 1 1 130 130 ALA CA C 130 54.978 54.978 55.108 -0.130 19045 13855 1 18 . 1 1 130 130 ALA CB C 130 17.446 17.446 18.486 -1.040 19045 13856 1 18 . 1 1 130 130 ALA H H 130 8.766 8.766 8.042 0.724 19045 13857 1 18 . 1 1 131 131 LEU N N 131 120.040 120.040 119.639 0.401 19045 13858 1 18 . 1 1 131 131 LEU HA H 131 3.961 3.961 4.580 -0.619 19045 13859 1 18 . 1 1 131 131 LEU CA C 131 58.353 58.353 58.736 -0.383 19045 13860 1 18 . 1 1 131 131 LEU CB C 131 40.750 40.750 42.242 -1.492 19045 13861 1 18 . 1 1 131 131 LEU H H 131 8.178 8.178 8.531 -0.353 19045 13862 1 18 . 1 1 132 132 LEU N N 132 119.150 119.150 117.399 1.751 19045 13863 1 18 . 1 1 132 132 LEU HA H 132 3.952 3.952 4.330 -0.378 19045 13864 1 18 . 1 1 132 132 LEU CA C 132 58.620 58.620 57.605 1.015 19045 13865 1 18 . 1 1 132 132 LEU CB C 132 38.835 38.835 40.770 -1.935 19045 13866 1 18 . 1 1 132 132 LEU H H 132 7.927 7.927 7.509 0.418 19045 13867 1 18 . 1 1 133 133 GLY N N 133 107.066 107.066 108.390 -1.324 19045 13868 1 18 . 1 1 133 133 GLY CA C 133 48.339 48.339 47.742 0.597 19045 13869 1 18 . 1 1 133 133 GLY H H 133 8.752 8.752 8.489 0.263 19045 13870 1 18 . 1 1 134 134 PHE N N 134 123.521 123.521 121.312 2.209 19045 13871 1 18 . 1 1 134 134 PHE HA H 134 4.601 4.601 4.672 -0.071 19045 13872 1 18 . 1 1 134 134 PHE CA C 134 59.884 59.884 58.337 1.547 19045 13873 1 18 . 1 1 134 134 PHE CB C 134 38.622 38.622 38.593 0.029 19045 13874 1 18 . 1 1 134 134 PHE H H 134 8.606 8.606 8.578 0.028 19045 13875 1 18 . 1 1 135 135 GLY N N 135 106.412 106.412 109.491 -3.079 19045 13876 1 18 . 1 1 135 135 GLY CA C 135 47.731 47.731 47.099 0.631 19045 13877 1 18 . 1 1 135 135 GLY H H 135 8.715 8.715 7.843 0.872 19045 13878 1 18 . 1 1 136 136 TYR N N 136 121.461 121.461 123.072 -1.611 19045 13879 1 18 . 1 1 136 136 TYR HA H 136 4.116 4.116 4.305 -0.189 19045 13880 1 18 . 1 1 136 136 TYR CA C 136 61.564 61.564 59.838 1.726 19045 13881 1 18 . 1 1 136 136 TYR CB C 136 38.469 38.469 38.405 0.064 19045 13882 1 18 . 1 1 136 136 TYR H H 136 8.809 8.809 8.082 0.727 19045 13883 1 18 . 1 1 137 137 ARG N N 137 117.518 117.518 119.567 -2.049 19045 13884 1 18 . 1 1 137 137 ARG HA H 137 3.647 3.647 3.862 -0.215 19045 13885 1 18 . 1 1 137 137 ARG CA C 137 58.904 58.904 58.350 0.554 19045 13886 1 18 . 1 1 137 137 ARG CB C 137 29.189 29.189 30.035 -0.846 19045 13887 1 18 . 1 1 137 137 ARG H H 137 8.646 8.646 7.603 1.043 19045 13888 1 18 . 1 1 138 138 LEU N N 138 121.658 121.658 119.748 1.910 19045 13889 1 18 . 1 1 138 138 LEU HA H 138 3.905 3.905 4.143 -0.238 19045 13890 1 18 . 1 1 138 138 LEU CA C 138 58.454 58.454 58.397 0.057 19045 13891 1 18 . 1 1 138 138 LEU CB C 138 41.801 41.801 42.154 -0.353 19045 13892 1 18 . 1 1 138 138 LEU H H 138 9.065 9.065 8.612 0.453 19045 13893 1 18 . 1 1 139 139 ALA N N 139 120.012 120.012 119.697 0.315 19045 13894 1 18 . 1 1 139 139 ALA HA H 139 4.004 4.004 4.271 -0.267 19045 13895 1 18 . 1 1 139 139 ALA CA C 139 55.174 55.174 54.713 0.461 19045 13896 1 18 . 1 1 139 139 ALA CB C 139 17.943 17.943 19.002 -1.059 19045 13897 1 18 . 1 1 139 139 ALA H H 139 8.237 8.237 7.904 0.333 19045 13898 1 18 . 1 1 140 140 LEU N N 140 119.522 119.522 120.364 -0.842 19045 13899 1 18 . 1 1 140 140 LEU HA H 140 4.000 4.000 4.074 -0.074 19045 13900 1 18 . 1 1 140 140 LEU CA C 140 57.805 57.805 57.486 0.319 19045 13901 1 18 . 1 1 140 140 LEU CB C 140 42.324 42.324 41.824 0.500 19045 13902 1 18 . 1 1 140 140 LEU H H 140 8.191 8.191 7.943 0.248 19045 13903 1 18 . 1 1 141 141 HIS N N 141 117.834 117.834 117.410 0.424 19045 13904 1 18 . 1 1 141 141 HIS HA H 141 4.183 4.183 4.348 -0.165 19045 13905 1 18 . 1 1 141 141 HIS CA C 141 60.960 60.960 60.078 0.882 19045 13906 1 18 . 1 1 141 141 HIS CB C 141 31.708 31.708 30.427 1.281 19045 13907 1 18 . 1 1 141 141 HIS H H 141 8.253 8.253 8.304 -0.051 19045 13908 1 18 . 1 1 142 142 VAL N N 142 113.700 113.700 113.351 0.349 19045 13909 1 18 . 1 1 142 142 VAL HA H 142 3.887 3.887 4.284 -0.397 19045 13910 1 18 . 1 1 142 142 VAL CA C 142 65.948 65.948 63.002 2.946 19045 13911 1 18 . 1 1 142 142 VAL CB C 142 30.264 30.264 32.346 -2.082 19045 13912 1 18 . 1 1 142 142 VAL H H 142 8.455 8.455 7.289 1.166 19045 13913 1 18 . 1 1 143 143 TYR N N 143 123.307 123.307 121.986 1.321 19045 13914 1 18 . 1 1 143 143 TYR HA H 143 4.320 4.320 4.616 -0.296 19045 13915 1 18 . 1 1 143 143 TYR CA C 143 61.934 61.934 61.219 0.715 19045 13916 1 18 . 1 1 143 143 TYR CB C 143 38.779 38.779 39.061 -0.282 19045 13917 1 18 . 1 1 143 143 TYR H H 143 7.750 7.750 8.223 -0.473 19045 13918 1 18 . 1 1 144 144 GLN N N 144 118.560 118.560 117.157 1.403 19045 13919 1 18 . 1 1 144 144 GLN HA H 144 3.686 3.686 3.798 -0.112 19045 13920 1 18 . 1 1 144 144 GLN CA C 144 58.055 58.055 57.987 0.068 19045 13921 1 18 . 1 1 144 144 GLN CB C 144 27.859 27.859 28.191 -0.332 19045 13922 1 18 . 1 1 144 144 GLN H H 144 8.486 8.486 7.985 0.501 19045 13923 1 18 . 1 1 145 145 HIS N N 145 114.312 114.312 116.213 -1.901 19045 13924 1 18 . 1 1 145 145 HIS HA H 145 4.330 4.330 4.269 0.061 19045 13925 1 18 . 1 1 145 145 HIS CA C 145 56.178 56.178 58.356 -2.179 19045 13926 1 18 . 1 1 145 145 HIS CB C 145 27.751 27.751 30.307 -2.556 19045 13927 1 18 . 1 1 145 145 HIS H H 145 7.350 7.350 7.847 -0.497 19045 13928 1 18 . 1 1 146 146 GLY N N 146 106.537 106.537 105.303 1.234 19045 13929 1 18 . 1 1 146 146 GLY CA C 146 45.715 45.715 45.093 0.623 19045 13930 1 18 . 1 1 146 146 GLY H H 146 7.471 7.471 7.553 -0.082 19045 13931 1 18 . 1 1 147 147 LEU N N 147 123.302 123.302 126.106 -2.804 19045 13932 1 18 . 1 1 147 147 LEU HA H 147 4.496 4.496 4.272 0.224 19045 13933 1 18 . 1 1 147 147 LEU CA C 147 54.259 54.259 54.934 -0.675 19045 13934 1 18 . 1 1 147 147 LEU CB C 147 41.033 41.033 41.767 -0.734 19045 13935 1 18 . 1 1 147 147 LEU H H 147 7.933 7.933 7.814 0.119 19045 13936 1 18 . 1 1 148 148 THR HA H 148 4.523 4.523 4.191 0.332 19045 13937 1 18 . 1 1 148 148 THR CA C 148 61.027 61.027 61.474 -0.447 19045 13938 1 18 . 1 1 148 148 THR CB C 148 70.359 70.359 69.540 0.819 19045 13939 1 18 . 1 1 149 149 GLY CA C 149 47.016 47.016 45.738 1.278 19045 13940 1 18 . 1 1 149 149 GLY H H 149 8.458 8.458 8.919 -0.461 19045 13941 1 18 . 1 1 150 150 PHE N N 150 123.408 123.408 119.566 3.842 19045 13942 1 18 . 1 1 150 150 PHE HA H 150 4.555 4.555 4.737 -0.182 19045 13943 1 18 . 1 1 150 150 PHE CA C 150 57.964 57.964 57.244 0.720 19045 13944 1 18 . 1 1 150 150 PHE CB C 150 42.911 42.911 39.997 2.914 19045 13945 1 18 . 1 1 150 150 PHE H H 150 9.331 9.331 8.241 1.090 19045 13946 1 18 . 1 1 151 151 LEU N N 151 123.032 123.032 120.674 2.358 19045 13947 1 18 . 1 1 151 151 LEU HA H 151 3.859 3.859 3.957 -0.098 19045 13948 1 18 . 1 1 151 151 LEU CA C 151 58.454 58.454 58.402 0.052 19045 13949 1 18 . 1 1 151 151 LEU CB C 151 40.948 40.948 39.725 1.223 19045 13950 1 18 . 1 1 151 151 LEU H H 151 8.470 8.470 8.000 0.470 19045 13951 1 18 . 1 1 152 152 GLY N N 152 108.386 108.386 104.681 3.705 19045 13952 1 18 . 1 1 152 152 GLY CA C 152 46.676 46.676 47.334 -0.658 19045 13953 1 18 . 1 1 152 152 GLY H H 152 8.577 8.577 8.544 0.033 19045 13954 1 18 . 1 1 153 153 GLN N N 153 122.055 122.055 120.898 1.157 19045 13955 1 18 . 1 1 153 153 GLN HA H 153 3.532 3.532 3.397 0.135 19045 13956 1 18 . 1 1 153 153 GLN CA C 153 57.844 57.844 57.474 0.370 19045 13957 1 18 . 1 1 153 153 GLN CB C 153 26.442 26.442 26.975 -0.533 19045 13958 1 18 . 1 1 153 153 GLN H H 153 7.106 7.106 7.023 0.083 19045 13959 1 18 . 1 1 154 154 VAL N N 154 116.706 116.706 119.041 -2.335 19045 13960 1 18 . 1 1 154 154 VAL HA H 154 2.428 2.428 3.425 -0.998 19045 13961 1 18 . 1 1 154 154 VAL CA C 154 66.089 66.089 66.341 -0.252 19045 13962 1 18 . 1 1 154 154 VAL CB C 154 31.463 31.463 30.948 0.515 19045 13963 1 18 . 1 1 154 154 VAL H H 154 7.033 7.033 7.838 -0.805 19045 13964 1 18 . 1 1 155 155 THR N N 155 114.165 114.165 115.611 -1.446 19045 13965 1 18 . 1 1 155 155 THR HA H 155 3.317 3.317 3.429 -0.112 19045 13966 1 18 . 1 1 155 155 THR CA C 155 67.050 67.050 66.864 0.186 19045 13967 1 18 . 1 1 155 155 THR CB C 155 68.307 68.307 68.101 0.206 19045 13968 1 18 . 1 1 155 155 THR H H 155 7.860 7.860 8.054 -0.194 19045 13969 1 18 . 1 1 156 156 ARG N N 156 119.890 119.890 120.581 -0.691 19045 13970 1 18 . 1 1 156 156 ARG HA H 156 3.769 3.769 3.859 -0.090 19045 13971 1 18 . 1 1 156 156 ARG CA C 156 58.769 58.769 58.740 0.029 19045 13972 1 18 . 1 1 156 156 ARG CB C 156 28.693 28.693 29.312 -0.619 19045 13973 1 18 . 1 1 156 156 ARG H H 156 7.019 7.019 7.672 -0.653 19045 13974 1 18 . 1 1 157 157 PHE N N 157 118.242 118.242 118.798 -0.556 19045 13975 1 18 . 1 1 157 157 PHE HA H 157 4.426 4.426 4.297 0.129 19045 13976 1 18 . 1 1 157 157 PHE CA C 157 56.928 56.928 60.097 -3.169 19045 13977 1 18 . 1 1 157 157 PHE CB C 157 35.794 35.794 37.755 -1.960 19045 13978 1 18 . 1 1 157 157 PHE H H 157 8.030 8.030 7.644 0.386 19045 13979 1 18 . 1 1 158 158 VAL N N 158 118.961 118.961 119.063 -0.102 19045 13980 1 18 . 1 1 158 158 VAL HA H 158 3.425 3.425 3.781 -0.356 19045 13981 1 18 . 1 1 158 158 VAL CA C 158 67.288 67.288 67.025 0.263 19045 13982 1 18 . 1 1 158 158 VAL CB C 158 31.554 31.554 31.242 0.312 19045 13983 1 18 . 1 1 158 158 VAL H H 158 7.607 7.607 8.104 -0.497 19045 13984 1 18 . 1 1 159 159 VAL N N 159 119.773 119.773 118.601 1.172 19045 13985 1 18 . 1 1 159 159 VAL HA H 159 3.358 3.358 3.610 -0.252 19045 13986 1 18 . 1 1 159 159 VAL CA C 159 67.570 67.570 66.506 1.064 19045 13987 1 18 . 1 1 159 159 VAL CB C 159 32.355 32.355 30.452 1.903 19045 13988 1 18 . 1 1 159 159 VAL H H 159 8.039 8.039 8.037 0.002 19045 13989 1 18 . 1 1 160 160 ASP N N 160 118.382 118.382 121.164 -2.782 19045 13990 1 18 . 1 1 160 160 ASP HA H 160 4.293 4.293 4.359 -0.066 19045 13991 1 18 . 1 1 160 160 ASP CA C 160 57.567 57.567 57.675 -0.108 19045 13992 1 18 . 1 1 160 160 ASP CB C 160 41.474 41.474 40.945 0.529 19045 13993 1 18 . 1 1 160 160 ASP H H 160 8.752 8.752 7.984 0.768 19045 13994 1 18 . 1 1 161 161 PHE N N 161 119.972 119.972 121.068 -1.096 19045 13995 1 18 . 1 1 161 161 PHE HA H 161 4.175 4.175 4.042 0.133 19045 13996 1 18 . 1 1 161 161 PHE CA C 161 62.688 62.688 61.144 1.544 19045 13997 1 18 . 1 1 161 161 PHE CB C 161 39.789 39.789 38.959 0.830 19045 13998 1 18 . 1 1 161 161 PHE H H 161 8.558 8.558 8.545 0.013 19045 13999 1 18 . 1 1 162 162 MET N N 162 116.261 116.261 119.944 -3.683 19045 14000 1 18 . 1 1 162 162 MET HA H 162 3.702 3.702 3.759 -0.057 19045 14001 1 18 . 1 1 162 162 MET CA C 162 59.342 59.342 59.614 -0.272 19045 14002 1 18 . 1 1 162 162 MET CB C 162 32.081 32.081 32.788 -0.707 19045 14003 1 18 . 1 1 162 162 MET H H 162 8.597 8.597 8.491 0.106 19045 14004 1 18 . 1 1 163 163 LEU N N 163 119.069 119.069 113.643 5.426 19045 14005 1 18 . 1 1 163 163 LEU HA H 163 3.952 3.952 4.189 -0.237 19045 14006 1 18 . 1 1 163 163 LEU CA C 163 57.856 57.856 55.498 2.358 19045 14007 1 18 . 1 1 163 163 LEU CB C 163 42.236 42.236 41.860 0.376 19045 14008 1 18 . 1 1 163 163 LEU H H 163 8.291 8.291 7.814 0.477 19045 14009 1 18 . 1 1 164 164 HIS N N 164 113.591 113.591 116.466 -2.875 19045 14010 1 18 . 1 1 164 164 HIS HA H 164 4.430 4.430 4.712 -0.282 19045 14011 1 18 . 1 1 164 164 HIS CA C 164 57.289 57.289 56.972 0.317 19045 14012 1 18 . 1 1 164 164 HIS CB C 164 28.766 28.766 29.946 -1.180 19045 14013 1 18 . 1 1 164 164 HIS H H 164 8.111 8.111 7.730 0.381 19045 14014 1 18 . 1 1 165 165 HIS N N 165 115.730 115.730 117.473 -1.743 19045 14015 1 18 . 1 1 165 165 HIS HA H 165 4.602 4.602 4.662 -0.060 19045 14016 1 18 . 1 1 165 165 HIS CA C 165 54.752 54.752 56.644 -1.892 19045 14017 1 18 . 1 1 165 165 HIS CB C 165 26.766 26.766 32.776 -6.011 19045 14018 1 18 . 1 1 165 165 HIS H H 165 7.789 7.789 7.733 0.056 19045 14019 1 18 . 1 1 166 166 CYS N N 166 109.533 109.533 117.375 -7.842 19045 14020 1 18 . 1 1 166 166 CYS HA H 166 4.274 4.274 4.496 -0.222 19045 14021 1 18 . 1 1 166 166 CYS CA C 166 61.452 61.452 59.357 2.095 19045 14022 1 18 . 1 1 166 166 CYS CB C 166 25.215 25.215 27.728 -2.513 19045 14023 1 18 . 1 1 166 166 CYS H H 166 7.761 7.761 8.273 -0.512 19045 14024 1 18 . 1 1 167 167 ILE N N 167 119.980 119.980 122.392 -2.412 19045 14025 1 18 . 1 1 167 167 ILE HA H 167 3.563 3.563 3.779 -0.216 19045 14026 1 18 . 1 1 167 167 ILE CA C 167 62.212 62.212 63.271 -1.059 19045 14027 1 18 . 1 1 167 167 ILE CB C 167 35.969 35.969 37.161 -1.192 19045 14028 1 18 . 1 1 167 167 ILE H H 167 7.574 7.574 7.696 -0.122 19045 14029 1 18 . 1 1 168 168 ALA N N 168 121.737 121.737 122.954 -1.217 19045 14030 1 18 . 1 1 168 168 ALA HA H 168 3.775 3.775 3.881 -0.106 19045 14031 1 18 . 1 1 168 168 ALA CA C 168 55.082 55.082 55.818 -0.736 19045 14032 1 18 . 1 1 168 168 ALA CB C 168 16.505 16.505 18.262 -1.756 19045 14033 1 18 . 1 1 168 168 ALA H H 168 7.935 7.935 7.722 0.213 19045 14034 1 18 . 1 1 169 169 ARG N N 169 118.369 118.369 118.211 0.158 19045 14035 1 18 . 1 1 169 169 ARG HA H 169 3.550 3.550 3.974 -0.424 19045 14036 1 18 . 1 1 169 169 ARG CA C 169 59.581 59.581 58.529 1.052 19045 14037 1 18 . 1 1 169 169 ARG CB C 169 29.380 29.380 29.335 0.045 19045 14038 1 18 . 1 1 169 169 ARG H H 169 7.936 7.936 8.485 -0.549 19045 14039 1 18 . 1 1 170 170 TRP N N 170 121.173 121.173 121.793 -0.620 19045 14040 1 18 . 1 1 170 170 TRP HA H 170 3.763 3.763 4.219 -0.456 19045 14041 1 18 . 1 1 170 170 TRP CA C 170 62.080 62.080 60.857 1.223 19045 14042 1 18 . 1 1 170 170 TRP CB C 170 29.423 29.423 29.194 0.229 19045 14043 1 18 . 1 1 170 170 TRP H H 170 7.259 7.259 7.319 -0.060 19045 14044 1 18 . 1 1 171 171 ILE N N 171 117.994 117.994 118.495 -0.501 19045 14045 1 18 . 1 1 171 171 ILE HA H 171 2.864 2.864 3.047 -0.183 19045 14046 1 18 . 1 1 171 171 ILE CA C 171 65.347 65.347 64.763 0.584 19045 14047 1 18 . 1 1 171 171 ILE CB C 171 37.781 37.781 37.452 0.329 19045 14048 1 18 . 1 1 171 171 ILE H H 171 8.074 8.074 8.590 -0.516 19045 14049 1 18 . 1 1 172 172 ALA N N 172 123.588 123.588 120.851 2.737 19045 14050 1 18 . 1 1 172 172 ALA HA H 172 3.506 3.506 3.888 -0.382 19045 14051 1 18 . 1 1 172 172 ALA CA C 172 55.685 55.685 54.882 0.803 19045 14052 1 18 . 1 1 172 172 ALA CB C 172 17.050 17.050 18.318 -1.268 19045 14053 1 18 . 1 1 172 172 ALA H H 172 8.511 8.511 7.946 0.565 19045 14054 1 18 . 1 1 173 173 GLN N N 173 117.382 117.382 115.933 1.449 19045 14055 1 18 . 1 1 173 173 GLN HA H 173 3.854 3.854 3.974 -0.120 19045 14056 1 18 . 1 1 173 173 GLN CA C 173 57.904 57.904 57.577 0.327 19045 14057 1 18 . 1 1 173 173 GLN CB C 173 28.141 28.141 28.730 -0.589 19045 14058 1 18 . 1 1 173 173 GLN H H 173 7.898 7.898 7.538 0.360 19045 14059 1 18 . 1 1 174 174 ARG N N 174 116.800 116.800 116.696 0.104 19045 14060 1 18 . 1 1 174 174 ARG HA H 174 4.097 4.097 4.078 0.019 19045 14061 1 18 . 1 1 174 174 ARG CA C 174 55.395 55.395 55.730 -0.335 19045 14062 1 18 . 1 1 174 174 ARG CB C 174 29.652 29.652 30.314 -0.662 19045 14063 1 18 . 1 1 174 174 ARG H H 174 6.984 6.984 7.451 -0.467 19045 14064 1 18 . 1 1 175 175 GLY N N 175 104.194 104.194 105.380 -1.186 19045 14065 1 18 . 1 1 175 175 GLY CA C 175 44.340 44.340 44.490 -0.150 19045 14066 1 18 . 1 1 175 175 GLY H H 175 7.418 7.418 7.044 0.374 19045 14067 1 18 . 1 1 176 176 GLY N N 176 107.629 107.629 107.872 -0.243 19045 14068 1 18 . 1 1 176 176 GLY CA C 176 43.501 43.501 45.026 -1.525 19045 14069 1 18 . 1 1 176 176 GLY H H 176 8.072 8.072 7.693 0.379 19045 14070 1 18 . 1 1 177 177 TRP N N 177 117.887 117.887 121.266 -3.379 19045 14071 1 18 . 1 1 177 177 TRP HA H 177 4.476 4.476 4.851 -0.375 19045 14072 1 18 . 1 1 177 177 TRP CA C 177 61.083 61.083 59.179 1.904 19045 14073 1 18 . 1 1 177 177 TRP CB C 177 30.927 30.927 29.570 1.357 19045 14074 1 18 . 1 1 177 177 TRP H H 177 8.218 8.218 8.776 -0.558 19045 14075 1 18 . 1 1 178 178 VAL N N 178 112.929 112.929 118.046 -5.117 19045 14076 1 18 . 1 1 178 178 VAL HA H 178 3.688 3.688 3.959 -0.271 19045 14077 1 18 . 1 1 178 178 VAL CA C 178 64.680 64.680 63.794 0.886 19045 14078 1 18 . 1 1 178 178 VAL CB C 178 31.057 31.057 30.719 0.338 19045 14079 1 18 . 1 1 178 178 VAL H H 178 8.284 8.284 7.696 0.588 19045 14080 1 18 . 1 1 179 179 ALA N N 179 125.101 125.101 120.168 4.933 19045 14081 1 18 . 1 1 179 179 ALA HA H 179 4.009 4.009 4.492 -0.483 19045 14082 1 18 . 1 1 179 179 ALA CA C 179 54.344 54.344 51.907 2.438 19045 14083 1 18 . 1 1 179 179 ALA CB C 179 18.555 18.555 19.688 -1.133 19045 14084 1 18 . 1 1 179 179 ALA H H 179 7.670 7.670 7.566 0.104 19045 14085 1 18 . 1 1 180 180 ALA N N 180 119.081 119.081 122.303 -3.222 19045 14086 1 18 . 1 1 180 180 ALA HA H 180 3.293 3.293 3.482 -0.189 19045 14087 1 18 . 1 1 180 180 ALA CA C 180 52.783 52.783 53.812 -1.029 19045 14088 1 18 . 1 1 180 180 ALA CB C 180 18.113 18.113 18.635 -0.522 19045 14089 1 18 . 1 1 180 180 ALA H H 180 8.058 8.058 7.449 0.609 19045 14090 1 18 . 1 1 181 181 LEU N N 181 114.169 114.169 115.216 -1.047 19045 14091 1 18 . 1 1 181 181 LEU HA H 181 3.911 3.911 4.074 -0.163 19045 14092 1 18 . 1 1 181 181 LEU CA C 181 56.128 56.128 56.500 -0.372 19045 14093 1 18 . 1 1 181 181 LEU CB C 181 40.955 40.955 41.282 -0.327 19045 14094 1 18 . 1 1 181 181 LEU H H 181 7.342 7.342 7.999 -0.657 19045 14095 1 18 . 1 1 182 182 ASN N N 182 115.061 115.061 116.021 -0.960 19045 14096 1 18 . 1 1 182 182 ASN HA H 182 4.743 4.743 4.735 0.008 19045 14097 1 18 . 1 1 182 182 ASN CA C 182 52.508 52.508 52.782 -0.274 19045 14098 1 18 . 1 1 182 182 ASN CB C 182 39.091 39.091 38.948 0.143 19045 14099 1 18 . 1 1 182 182 ASN H H 182 7.289 7.289 7.454 -0.165 19045 14100 1 18 . 1 1 183 183 LEU N N 183 119.889 119.889 121.491 -1.602 19045 14101 1 18 . 1 1 183 183 LEU HA H 183 4.125 4.125 4.371 -0.246 19045 14102 1 18 . 1 1 183 183 LEU CA C 183 55.201 55.201 54.200 1.001 19045 14103 1 18 . 1 1 183 183 LEU CB C 183 42.174 42.174 41.370 0.804 19045 14104 1 18 . 1 1 183 183 LEU H H 183 7.148 7.148 7.460 -0.312 19045 14105 1 18 . 1 1 184 184 GLY N N 184 107.883 107.883 114.174 -6.291 19045 14106 1 18 . 1 1 184 184 GLY CA C 184 45.256 45.256 45.219 0.037 19045 14107 1 18 . 1 1 184 184 GLY H H 184 8.486 8.486 8.300 0.186 19045 14108 1 18 . 1 1 185 185 ASN N N 185 118.093 118.093 120.839 -2.746 19045 14109 1 18 . 1 1 185 185 ASN HA H 185 4.755 4.755 4.873 -0.118 19045 14110 1 18 . 1 1 185 185 ASN CA C 185 52.812 52.812 52.401 0.411 19045 14111 1 18 . 1 1 185 185 ASN CB C 185 39.297 39.297 38.767 0.530 19045 14112 1 18 . 1 1 185 185 ASN H H 185 8.074 8.074 8.454 -0.380 19045 14113 1 19 . 1 1 19 19 LEU N N 19 122.834 122.834 122.996 -0.162 19045 14114 1 19 . 1 1 19 19 LEU HA H 19 4.523 4.523 4.814 -0.291 19045 14115 1 19 . 1 1 19 19 LEU CA C 19 52.690 52.690 53.645 -0.955 19045 14116 1 19 . 1 1 19 19 LEU CB C 19 41.808 41.808 41.198 0.610 19045 14117 1 19 . 1 1 19 19 LEU H H 19 8.080 8.080 7.806 0.274 19045 14118 1 19 . 1 1 20 20 PRO HA H 20 4.353 4.353 4.526 -0.173 19045 14119 1 19 . 1 1 20 20 PRO CA C 20 62.826 62.826 62.553 0.273 19045 14120 1 19 . 1 1 20 20 PRO CB C 20 31.969 31.969 32.245 -0.276 19045 14121 1 19 . 1 1 21 21 SER N N 21 116.268 116.268 113.484 2.784 19045 14122 1 19 . 1 1 21 21 SER HA H 21 4.249 4.249 4.164 0.085 19045 14123 1 19 . 1 1 21 21 SER CA C 21 58.338 58.338 58.003 0.335 19045 14124 1 19 . 1 1 21 21 SER CB C 21 63.856 63.856 63.280 0.576 19045 14125 1 19 . 1 1 21 21 SER H H 21 8.246 8.246 8.224 0.022 19045 14126 1 19 . 1 1 22 22 ALA N N 22 125.246 125.246 124.907 0.339 19045 14127 1 19 . 1 1 22 22 ALA HA H 22 4.405 4.405 4.552 -0.147 19045 14128 1 19 . 1 1 22 22 ALA CA C 22 52.086 52.086 51.653 0.433 19045 14129 1 19 . 1 1 22 22 ALA CB C 22 19.582 19.582 20.187 -0.605 19045 14130 1 19 . 1 1 22 22 ALA H H 22 8.192 8.192 8.460 -0.268 19045 14131 1 19 . 1 1 23 23 SER N N 23 114.236 114.236 115.673 -1.437 19045 14132 1 19 . 1 1 23 23 SER HA H 23 4.469 4.469 4.729 -0.260 19045 14133 1 19 . 1 1 23 23 SER CA C 23 57.386 57.386 56.287 1.099 19045 14134 1 19 . 1 1 23 23 SER CB C 23 64.582 64.582 66.159 -1.577 19045 14135 1 19 . 1 1 23 23 SER H H 23 8.081 8.081 8.574 -0.493 19045 14136 1 19 . 1 1 24 24 GLU N N 24 124.005 124.005 123.318 0.687 19045 14137 1 19 . 1 1 24 24 GLU HA H 24 3.534 3.534 3.865 -0.331 19045 14138 1 19 . 1 1 24 24 GLU CA C 24 59.772 59.772 60.083 -0.311 19045 14139 1 19 . 1 1 24 24 GLU CB C 24 29.798 29.798 29.121 0.677 19045 14140 1 19 . 1 1 24 24 GLU H H 24 8.702 8.702 8.971 -0.269 19045 14141 1 19 . 1 1 25 25 GLU N N 25 118.390 118.390 118.788 -0.398 19045 14142 1 19 . 1 1 25 25 GLU HA H 25 3.796 3.796 3.945 -0.149 19045 14143 1 19 . 1 1 25 25 GLU CA C 25 59.939 59.939 59.200 0.739 19045 14144 1 19 . 1 1 25 25 GLU CB C 25 29.217 29.217 28.400 0.817 19045 14145 1 19 . 1 1 25 25 GLU H H 25 8.559 8.559 8.848 -0.289 19045 14146 1 19 . 1 1 26 26 GLN N N 26 120.776 120.776 119.679 1.097 19045 14147 1 19 . 1 1 26 26 GLN HA H 26 3.916 3.916 4.486 -0.570 19045 14148 1 19 . 1 1 26 26 GLN CA C 26 58.343 58.343 57.940 0.403 19045 14149 1 19 . 1 1 26 26 GLN CB C 26 28.119 28.119 28.357 -0.238 19045 14150 1 19 . 1 1 26 26 GLN H H 26 7.764 7.764 7.750 0.014 19045 14151 1 19 . 1 1 27 27 VAL N N 27 118.723 118.723 121.495 -2.772 19045 14152 1 19 . 1 1 27 27 VAL HA H 27 3.933 3.933 3.822 0.111 19045 14153 1 19 . 1 1 27 27 VAL CA C 27 66.285 66.285 65.775 0.510 19045 14154 1 19 . 1 1 27 27 VAL CB C 27 31.596 31.596 31.014 0.582 19045 14155 1 19 . 1 1 27 27 VAL H H 27 8.062 8.062 8.143 -0.081 19045 14156 1 19 . 1 1 28 28 ALA N N 28 122.902 122.902 122.904 -0.002 19045 14157 1 19 . 1 1 28 28 ALA HA H 28 4.026 4.026 3.997 0.029 19045 14158 1 19 . 1 1 28 28 ALA CA C 28 56.178 56.178 55.788 0.390 19045 14159 1 19 . 1 1 28 28 ALA CB C 28 18.463 18.463 18.261 0.202 19045 14160 1 19 . 1 1 28 28 ALA H H 28 8.412 8.412 8.262 0.150 19045 14161 1 19 . 1 1 29 29 GLN N N 29 117.996 117.996 117.395 0.601 19045 14162 1 19 . 1 1 29 29 GLN HA H 29 4.084 4.084 4.130 -0.046 19045 14163 1 19 . 1 1 29 29 GLN CA C 29 59.063 59.063 58.716 0.347 19045 14164 1 19 . 1 1 29 29 GLN CB C 29 28.452 28.452 28.285 0.167 19045 14165 1 19 . 1 1 29 29 GLN H H 29 7.900 7.900 7.790 0.110 19045 14166 1 19 . 1 1 30 30 ASP N N 30 121.907 121.907 120.227 1.680 19045 14167 1 19 . 1 1 30 30 ASP HA H 30 4.521 4.521 4.403 0.118 19045 14168 1 19 . 1 1 30 30 ASP CA C 30 57.038 57.038 57.139 -0.101 19045 14169 1 19 . 1 1 30 30 ASP CB C 30 41.939 41.939 40.331 1.608 19045 14170 1 19 . 1 1 30 30 ASP H H 30 8.888 8.888 8.298 0.590 19045 14171 1 19 . 1 1 31 31 THR N N 31 114.861 114.861 116.468 -1.607 19045 14172 1 19 . 1 1 31 31 THR HA H 31 3.493 3.493 3.307 0.186 19045 14173 1 19 . 1 1 31 31 THR CA C 31 66.946 66.946 66.634 0.312 19045 14174 1 19 . 1 1 31 31 THR CB C 31 68.523 68.523 68.973 -0.450 19045 14175 1 19 . 1 1 31 31 THR H H 31 8.069 8.069 8.189 -0.120 19045 14176 1 19 . 1 1 32 32 GLU N N 32 120.848 120.848 121.080 -0.232 19045 14177 1 19 . 1 1 32 32 GLU HA H 32 3.597 3.597 3.860 -0.263 19045 14178 1 19 . 1 1 32 32 GLU CA C 32 60.899 60.899 59.655 1.244 19045 14179 1 19 . 1 1 32 32 GLU CB C 32 28.963 28.963 28.564 0.399 19045 14180 1 19 . 1 1 32 32 GLU H H 32 7.578 7.578 8.079 -0.501 19045 14181 1 19 . 1 1 33 33 GLU N N 33 117.741 117.741 120.504 -2.763 19045 14182 1 19 . 1 1 33 33 GLU HA H 33 3.938 3.938 3.999 -0.061 19045 14183 1 19 . 1 1 33 33 GLU CA C 33 58.768 58.768 59.263 -0.495 19045 14184 1 19 . 1 1 33 33 GLU CB C 33 29.708 29.708 29.734 -0.026 19045 14185 1 19 . 1 1 33 33 GLU H H 33 7.446 7.446 7.796 -0.350 19045 14186 1 19 . 1 1 34 34 VAL N N 34 120.239 120.239 120.092 0.147 19045 14187 1 19 . 1 1 34 34 VAL HA H 34 3.108 3.108 3.573 -0.465 19045 14188 1 19 . 1 1 34 34 VAL CA C 34 66.979 66.979 65.793 1.186 19045 14189 1 19 . 1 1 34 34 VAL CB C 34 31.884 31.884 31.262 0.622 19045 14190 1 19 . 1 1 34 34 VAL H H 34 7.792 7.792 7.713 0.079 19045 14191 1 19 . 1 1 35 35 PHE N N 35 117.559 117.559 121.032 -3.473 19045 14192 1 19 . 1 1 35 35 PHE HA H 35 4.209 4.209 4.072 0.137 19045 14193 1 19 . 1 1 35 35 PHE CA C 35 61.592 61.592 62.266 -0.674 19045 14194 1 19 . 1 1 35 35 PHE CB C 35 39.066 39.066 39.055 0.011 19045 14195 1 19 . 1 1 35 35 PHE H H 35 8.895 8.895 8.360 0.535 19045 14196 1 19 . 1 1 36 36 ARG N N 36 116.705 116.705 118.904 -2.199 19045 14197 1 19 . 1 1 36 36 ARG HA H 36 3.555 3.555 3.987 -0.432 19045 14198 1 19 . 1 1 36 36 ARG CA C 36 59.906 59.906 60.377 -0.471 19045 14199 1 19 . 1 1 36 36 ARG CB C 36 29.654 29.654 30.325 -0.671 19045 14200 1 19 . 1 1 36 36 ARG H H 36 8.182 8.182 8.284 -0.102 19045 14201 1 19 . 1 1 37 37 SER N N 37 112.628 112.628 115.839 -3.211 19045 14202 1 19 . 1 1 37 37 SER HA H 37 4.122 4.122 4.251 -0.129 19045 14203 1 19 . 1 1 37 37 SER CA C 37 61.258 61.258 61.413 -0.155 19045 14204 1 19 . 1 1 37 37 SER CB C 37 63.089 63.089 63.206 -0.117 19045 14205 1 19 . 1 1 37 37 SER H H 37 7.845 7.845 8.165 -0.320 19045 14206 1 19 . 1 1 38 38 TYR N N 38 122.458 122.458 124.180 -1.722 19045 14207 1 19 . 1 1 38 38 TYR HA H 38 3.927 3.927 4.035 -0.108 19045 14208 1 19 . 1 1 38 38 TYR CA C 38 62.006 62.006 61.874 0.132 19045 14209 1 19 . 1 1 38 38 TYR CB C 38 38.892 38.892 38.558 0.334 19045 14210 1 19 . 1 1 38 38 TYR H H 38 8.793 8.793 8.237 0.556 19045 14211 1 19 . 1 1 39 39 VAL N N 39 115.951 115.951 117.039 -1.088 19045 14212 1 19 . 1 1 39 39 VAL HA H 39 3.209 3.209 3.204 0.005 19045 14213 1 19 . 1 1 39 39 VAL CA C 39 65.982 65.982 65.418 0.564 19045 14214 1 19 . 1 1 39 39 VAL CB C 39 30.884 30.884 30.442 0.442 19045 14215 1 19 . 1 1 39 39 VAL H H 39 8.348 8.348 8.059 0.289 19045 14216 1 19 . 1 1 40 40 PHE N N 40 119.608 119.608 122.640 -3.032 19045 14217 1 19 . 1 1 40 40 PHE HA H 40 3.915 3.915 4.178 -0.263 19045 14218 1 19 . 1 1 40 40 PHE CA C 40 61.651 61.651 61.435 0.216 19045 14219 1 19 . 1 1 40 40 PHE CB C 40 39.411 39.411 39.191 0.220 19045 14220 1 19 . 1 1 40 40 PHE H H 40 7.596 7.596 8.133 -0.537 19045 14221 1 19 . 1 1 41 41 TYR N N 41 117.686 117.686 119.031 -1.345 19045 14222 1 19 . 1 1 41 41 TYR HA H 41 3.818 3.818 3.786 0.032 19045 14223 1 19 . 1 1 41 41 TYR CA C 41 63.446 63.446 60.472 2.974 19045 14224 1 19 . 1 1 41 41 TYR CB C 41 37.528 37.528 37.814 -0.286 19045 14225 1 19 . 1 1 41 41 TYR H H 41 8.578 8.578 8.336 0.242 19045 14226 1 19 . 1 1 42 42 ARG N N 42 121.382 121.382 119.706 1.676 19045 14227 1 19 . 1 1 42 42 ARG HA H 42 3.581 3.581 3.665 -0.084 19045 14228 1 19 . 1 1 42 42 ARG CA C 42 57.999 57.999 59.498 -1.499 19045 14229 1 19 . 1 1 42 42 ARG CB C 42 26.992 26.992 29.924 -2.932 19045 14230 1 19 . 1 1 42 42 ARG H H 42 8.784 8.784 7.901 0.883 19045 14231 1 19 . 1 1 43 43 HIS N N 43 118.684 118.684 117.955 0.729 19045 14232 1 19 . 1 1 43 43 HIS HA H 43 4.291 4.291 4.208 0.083 19045 14233 1 19 . 1 1 43 43 HIS CA C 43 60.041 60.041 59.236 0.805 19045 14234 1 19 . 1 1 43 43 HIS CB C 43 27.938 27.938 29.636 -1.698 19045 14235 1 19 . 1 1 43 43 HIS H H 43 8.268 8.268 7.785 0.483 19045 14236 1 19 . 1 1 44 44 GLN N N 44 117.841 117.841 119.516 -1.675 19045 14237 1 19 . 1 1 44 44 GLN HA H 44 3.638 3.638 3.676 -0.038 19045 14238 1 19 . 1 1 44 44 GLN CA C 44 58.681 58.681 59.295 -0.614 19045 14239 1 19 . 1 1 44 44 GLN CB C 44 28.977 28.977 27.892 1.085 19045 14240 1 19 . 1 1 44 44 GLN H H 44 7.722 7.722 7.972 -0.250 19045 14241 1 19 . 1 1 45 45 GLN N N 45 117.756 117.756 116.757 0.999 19045 14242 1 19 . 1 1 45 45 GLN HA H 45 3.932 3.932 3.973 -0.041 19045 14243 1 19 . 1 1 45 45 GLN CA C 45 57.923 57.923 58.509 -0.586 19045 14244 1 19 . 1 1 45 45 GLN CB C 45 28.039 28.039 28.229 -0.190 19045 14245 1 19 . 1 1 45 45 GLN H H 45 7.808 7.808 7.596 0.212 19045 14246 1 19 . 1 1 46 46 GLU N N 46 119.876 119.876 118.940 0.936 19045 14247 1 19 . 1 1 46 46 GLU HA H 46 3.951 3.951 4.052 -0.101 19045 14248 1 19 . 1 1 46 46 GLU CA C 46 58.956 58.956 59.115 -0.159 19045 14249 1 19 . 1 1 46 46 GLU CB C 46 29.166 29.166 29.222 -0.056 19045 14250 1 19 . 1 1 46 46 GLU H H 46 7.781 7.781 7.489 0.292 19045 14251 1 19 . 1 1 47 47 GLN N N 47 118.282 118.282 117.838 0.444 19045 14252 1 19 . 1 1 47 47 GLN HA H 47 3.800 3.800 4.035 -0.235 19045 14253 1 19 . 1 1 47 47 GLN CA C 47 57.892 57.892 58.591 -0.699 19045 14254 1 19 . 1 1 47 47 GLN CB C 47 28.662 28.662 28.178 0.484 19045 14255 1 19 . 1 1 47 47 GLN H H 47 7.775 7.775 7.967 -0.192 19045 14256 1 19 . 1 1 48 48 GLU N N 48 118.519 118.519 118.578 -0.059 19045 14257 1 19 . 1 1 48 48 GLU HA H 48 4.009 4.009 4.112 -0.103 19045 14258 1 19 . 1 1 48 48 GLU CA C 48 57.586 57.586 58.053 -0.467 19045 14259 1 19 . 1 1 48 48 GLU CB C 48 28.922 28.922 29.335 -0.413 19045 14260 1 19 . 1 1 48 48 GLU H H 48 7.721 7.721 7.903 -0.182 19045 14261 1 19 . 1 1 49 49 ALA N N 49 121.657 121.657 122.115 -0.458 19045 14262 1 19 . 1 1 49 49 ALA HA H 49 4.140 4.140 4.179 -0.039 19045 14263 1 19 . 1 1 49 49 ALA CA C 49 53.389 53.389 52.458 0.931 19045 14264 1 19 . 1 1 49 49 ALA CB C 49 19.111 19.111 19.791 -0.680 19045 14265 1 19 . 1 1 49 49 ALA H H 49 7.675 7.675 7.661 0.014 19045 14266 1 19 . 1 1 50 50 GLU N N 50 116.803 116.803 117.469 -0.666 19045 14267 1 19 . 1 1 50 50 GLU HA H 50 4.182 4.182 3.966 0.216 19045 14268 1 19 . 1 1 50 50 GLU CA C 50 56.420 56.420 57.040 -0.620 19045 14269 1 19 . 1 1 50 50 GLU CB C 50 29.798 29.798 28.660 1.139 19045 14270 1 19 . 1 1 50 50 GLU H H 50 8.106 8.106 8.528 -0.422 19045 14271 1 19 . 1 1 51 51 GLY N N 51 109.812 109.812 106.473 3.339 19045 14272 1 19 . 1 1 51 51 GLY CA C 51 45.739 45.739 44.861 0.878 19045 14273 1 19 . 1 1 51 51 GLY H H 51 8.060 8.060 8.294 -0.234 19045 14274 1 19 . 1 1 52 52 VAL N N 52 118.668 118.668 113.416 5.252 19045 14275 1 19 . 1 1 52 52 VAL HA H 52 4.001 4.001 4.390 -0.389 19045 14276 1 19 . 1 1 52 52 VAL CA C 52 62.175 62.175 61.407 0.768 19045 14277 1 19 . 1 1 52 52 VAL CB C 52 32.294 32.294 33.387 -1.093 19045 14278 1 19 . 1 1 52 52 VAL H H 52 7.718 7.718 7.670 0.048 19045 14279 1 19 . 1 1 53 53 ALA N N 53 125.624 125.624 123.707 1.917 19045 14280 1 19 . 1 1 53 53 ALA HA H 53 4.220 4.220 4.466 -0.246 19045 14281 1 19 . 1 1 53 53 ALA CA C 53 51.869 51.869 51.583 0.286 19045 14282 1 19 . 1 1 53 53 ALA CB C 53 19.065 19.065 18.258 0.807 19045 14283 1 19 . 1 1 53 53 ALA H H 53 8.073 8.073 8.393 -0.320 19045 14284 1 19 . 1 1 54 54 ALA N N 54 123.638 123.638 122.320 1.318 19045 14285 1 19 . 1 1 54 54 ALA HA H 54 4.472 4.472 4.282 0.190 19045 14286 1 19 . 1 1 54 54 ALA CA C 54 49.869 49.869 50.922 -1.053 19045 14287 1 19 . 1 1 54 54 ALA CB C 54 18.488 18.488 18.905 -0.417 19045 14288 1 19 . 1 1 54 54 ALA H H 54 7.718 7.718 7.658 0.060 19045 14289 1 19 . 1 1 55 55 PRO HA H 55 4.292 4.292 4.365 -0.073 19045 14290 1 19 . 1 1 55 55 PRO CA C 55 62.966 62.966 63.208 -0.242 19045 14291 1 19 . 1 1 55 55 PRO CB C 55 31.754 31.754 32.565 -0.810 19045 14292 1 19 . 1 1 56 56 ALA N N 56 124.218 124.218 123.294 0.924 19045 14293 1 19 . 1 1 56 56 ALA HA H 56 4.220 4.220 4.429 -0.209 19045 14294 1 19 . 1 1 56 56 ALA CB C 56 19.119 19.119 20.608 -1.489 19045 14295 1 19 . 1 1 56 56 ALA H H 56 8.259 8.259 8.065 0.194 19045 14296 1 19 . 1 1 57 57 ASP N N 57 120.884 120.884 123.560 -2.676 19045 14297 1 19 . 1 1 57 57 ASP HA H 57 4.572 4.572 4.754 -0.182 19045 14298 1 19 . 1 1 57 57 ASP CA C 57 52.742 52.742 53.471 -0.729 19045 14299 1 19 . 1 1 57 57 ASP CB C 57 41.642 41.642 41.841 -0.199 19045 14300 1 19 . 1 1 57 57 ASP H H 57 7.829 7.829 8.411 -0.582 19045 14301 1 19 . 1 1 58 58 PRO HA H 58 4.052 4.052 4.521 -0.469 19045 14302 1 19 . 1 1 58 58 PRO CA C 58 64.128 64.128 63.115 1.013 19045 14303 1 19 . 1 1 58 58 PRO CB C 58 31.989 31.989 31.770 0.219 19045 14304 1 19 . 1 1 59 59 GLU HA H 59 4.549 4.549 4.456 0.093 19045 14305 1 19 . 1 1 59 59 GLU CA C 59 54.266 54.266 54.873 -0.607 19045 14306 1 19 . 1 1 59 59 GLU CB C 59 29.285 29.285 33.182 -3.897 19045 14307 1 19 . 1 1 60 60 MET HA H 60 3.846 3.846 4.233 -0.387 19045 14308 1 19 . 1 1 60 60 MET CA C 60 57.219 57.219 58.483 -1.264 19045 14309 1 19 . 1 1 60 60 MET CB C 60 31.894 31.894 32.949 -1.055 19045 14310 1 19 . 1 1 60 60 MET H H 60 7.070 7.070 8.703 -1.633 19045 14311 1 19 . 1 1 61 61 VAL N N 61 113.014 113.014 116.528 -3.514 19045 14312 1 19 . 1 1 61 61 VAL HA H 61 4.051 4.051 3.832 0.219 19045 14313 1 19 . 1 1 61 61 VAL CA C 61 62.799 62.799 64.605 -1.806 19045 14314 1 19 . 1 1 61 61 VAL CB C 61 31.993 31.993 31.167 0.826 19045 14315 1 19 . 1 1 61 61 VAL H H 61 6.833 6.833 7.998 -1.165 19045 14316 1 19 . 1 1 62 62 THR N N 62 110.188 110.188 113.949 -3.761 19045 14317 1 19 . 1 1 62 62 THR HA H 62 4.230 4.230 3.961 0.269 19045 14318 1 19 . 1 1 62 62 THR CA C 62 60.947 60.947 66.088 -5.141 19045 14319 1 19 . 1 1 62 62 THR CB C 62 69.192 69.192 69.241 -0.049 19045 14320 1 19 . 1 1 62 62 THR H H 62 7.101 7.101 7.710 -0.609 19045 14321 1 19 . 1 1 63 63 LEU N N 63 125.158 125.158 120.650 4.508 19045 14322 1 19 . 1 1 63 63 LEU HA H 63 4.205 4.205 4.852 -0.647 19045 14323 1 19 . 1 1 63 63 LEU CA C 63 52.688 52.688 51.173 1.515 19045 14324 1 19 . 1 1 63 63 LEU CB C 63 42.252 42.252 42.634 -0.382 19045 14325 1 19 . 1 1 63 63 LEU H H 63 7.079 7.079 7.362 -0.283 19045 14326 1 19 . 1 1 64 64 PRO HA H 64 4.282 4.282 4.469 -0.187 19045 14327 1 19 . 1 1 64 64 PRO CA C 64 62.613 62.613 62.289 0.324 19045 14328 1 19 . 1 1 64 64 PRO CB C 64 30.705 30.705 30.343 0.362 19045 14329 1 19 . 1 1 65 65 LEU N N 65 122.384 122.384 123.737 -1.353 19045 14330 1 19 . 1 1 65 65 LEU HA H 65 4.234 4.234 4.422 -0.188 19045 14331 1 19 . 1 1 65 65 LEU CA C 65 54.499 54.499 55.297 -0.798 19045 14332 1 19 . 1 1 65 65 LEU CB C 65 43.438 43.438 43.272 0.166 19045 14333 1 19 . 1 1 65 65 LEU H H 65 7.653 7.653 7.585 0.068 19045 14334 1 19 . 1 1 66 66 GLN N N 66 121.802 121.802 123.815 -2.013 19045 14335 1 19 . 1 1 66 66 GLN HA H 66 4.209 4.209 4.756 -0.547 19045 14336 1 19 . 1 1 66 66 GLN CA C 66 52.783 52.783 52.751 0.032 19045 14337 1 19 . 1 1 66 66 GLN CB C 66 28.136 28.136 28.698 -0.562 19045 14338 1 19 . 1 1 66 66 GLN H H 66 8.634 8.634 8.574 0.060 19045 14339 1 19 . 1 1 67 67 PRO HA H 67 4.139 4.139 4.518 -0.379 19045 14340 1 19 . 1 1 67 67 PRO CA C 67 64.488 64.488 63.812 0.676 19045 14341 1 19 . 1 1 67 67 PRO CB C 67 32.003 32.003 32.013 -0.010 19045 14342 1 19 . 1 1 68 68 SER N N 68 111.024 111.024 112.278 -1.254 19045 14343 1 19 . 1 1 68 68 SER HA H 68 4.313 4.313 4.558 -0.245 19045 14344 1 19 . 1 1 68 68 SER CA C 68 57.991 57.991 58.107 -0.116 19045 14345 1 19 . 1 1 68 68 SER CB C 68 63.252 63.252 63.565 -0.313 19045 14346 1 19 . 1 1 68 68 SER H H 68 8.119 8.119 8.129 -0.010 19045 14347 1 19 . 1 1 69 69 SER N N 69 117.598 117.598 117.107 0.491 19045 14348 1 19 . 1 1 69 69 SER HA H 69 4.440 4.440 4.770 -0.330 19045 14349 1 19 . 1 1 69 69 SER CA C 69 57.518 57.518 57.260 0.258 19045 14350 1 19 . 1 1 69 69 SER CB C 69 64.587 64.587 65.354 -0.767 19045 14351 1 19 . 1 1 69 69 SER H H 69 7.723 7.723 7.617 0.106 19045 14352 1 19 . 1 1 70 70 THR N N 70 121.887 121.887 117.191 4.696 19045 14353 1 19 . 1 1 70 70 THR HA H 70 3.873 3.873 4.104 -0.231 19045 14354 1 19 . 1 1 70 70 THR CA C 70 66.723 66.723 65.185 1.538 19045 14355 1 19 . 1 1 70 70 THR CB C 70 68.385 68.385 68.819 -0.434 19045 14356 1 19 . 1 1 70 70 THR H H 70 8.827 8.827 8.622 0.205 19045 14357 1 19 . 1 1 71 71 MET N N 71 117.344 117.344 120.540 -3.196 19045 14358 1 19 . 1 1 71 71 MET HA H 71 4.469 4.469 4.291 0.178 19045 14359 1 19 . 1 1 71 71 MET CA C 71 56.260 56.260 57.669 -1.409 19045 14360 1 19 . 1 1 71 71 MET CB C 71 31.696 31.696 30.785 0.911 19045 14361 1 19 . 1 1 71 71 MET H H 71 8.454 8.454 8.205 0.249 19045 14362 1 19 . 1 1 72 72 GLY N N 72 108.884 108.884 104.109 4.775 19045 14363 1 19 . 1 1 72 72 GLY CA C 72 46.884 46.884 46.628 0.256 19045 14364 1 19 . 1 1 72 72 GLY H H 72 7.979 7.979 8.376 -0.397 19045 14365 1 19 . 1 1 73 73 GLN N N 73 121.522 121.522 119.533 1.989 19045 14366 1 19 . 1 1 73 73 GLN HA H 73 3.857 3.857 4.405 -0.548 19045 14367 1 19 . 1 1 73 73 GLN CA C 73 58.220 58.220 56.929 1.291 19045 14368 1 19 . 1 1 73 73 GLN CB C 73 28.309 28.309 28.709 -0.400 19045 14369 1 19 . 1 1 73 73 GLN H H 73 7.859 7.859 7.732 0.127 19045 14370 1 19 . 1 1 74 74 VAL N N 74 121.291 121.291 121.120 0.171 19045 14371 1 19 . 1 1 74 74 VAL HA H 74 3.359 3.359 3.699 -0.340 19045 14372 1 19 . 1 1 74 74 VAL CA C 74 67.150 67.150 65.788 1.362 19045 14373 1 19 . 1 1 74 74 VAL CB C 74 31.249 31.249 31.343 -0.094 19045 14374 1 19 . 1 1 74 74 VAL H H 74 8.155 8.155 7.919 0.236 19045 14375 1 19 . 1 1 75 75 GLY N N 75 105.037 105.037 106.190 -1.153 19045 14376 1 19 . 1 1 75 75 GLY CA C 75 48.385 48.385 47.515 0.870 19045 14377 1 19 . 1 1 75 75 GLY H H 75 8.154 8.154 7.769 0.385 19045 14378 1 19 . 1 1 76 76 ARG N N 76 119.292 119.292 120.157 -0.865 19045 14379 1 19 . 1 1 76 76 ARG HA H 76 3.320 3.320 4.174 -0.854 19045 14380 1 19 . 1 1 76 76 ARG CA C 76 59.540 59.540 60.110 -0.570 19045 14381 1 19 . 1 1 76 76 ARG CB C 76 30.130 30.130 30.266 -0.136 19045 14382 1 19 . 1 1 76 76 ARG H H 76 7.512 7.512 7.295 0.217 19045 14383 1 19 . 1 1 77 77 GLN N N 77 118.008 118.008 118.925 -0.917 19045 14384 1 19 . 1 1 77 77 GLN HA H 77 3.951 3.951 4.133 -0.182 19045 14385 1 19 . 1 1 77 77 GLN CA C 77 58.337 58.337 58.754 -0.417 19045 14386 1 19 . 1 1 77 77 GLN CB C 77 27.512 27.512 27.907 -0.395 19045 14387 1 19 . 1 1 77 77 GLN H H 77 7.852 7.852 7.804 0.048 19045 14388 1 19 . 1 1 78 78 LEU N N 78 116.018 116.018 119.780 -3.762 19045 14389 1 19 . 1 1 78 78 LEU HA H 78 4.078 4.078 3.916 0.162 19045 14390 1 19 . 1 1 78 78 LEU CA C 78 57.391 57.391 58.247 -0.856 19045 14391 1 19 . 1 1 78 78 LEU CB C 78 40.999 40.999 41.621 -0.622 19045 14392 1 19 . 1 1 78 78 LEU H H 78 8.412 8.412 8.375 0.037 19045 14393 1 19 . 1 1 79 79 ALA N N 79 120.914 120.914 120.465 0.449 19045 14394 1 19 . 1 1 79 79 ALA HA H 79 3.896 3.896 4.110 -0.214 19045 14395 1 19 . 1 1 79 79 ALA CA C 79 54.789 54.789 54.987 -0.198 19045 14396 1 19 . 1 1 79 79 ALA CB C 79 17.880 17.880 18.130 -0.250 19045 14397 1 19 . 1 1 79 79 ALA H H 79 7.789 7.789 8.212 -0.423 19045 14398 1 19 . 1 1 80 80 ILE N N 80 117.984 117.984 118.321 -0.337 19045 14399 1 19 . 1 1 80 80 ILE HA H 80 3.895 3.895 3.714 0.181 19045 14400 1 19 . 1 1 80 80 ILE CA C 80 63.576 63.576 64.953 -1.377 19045 14401 1 19 . 1 1 80 80 ILE CB C 80 38.607 38.607 38.299 0.308 19045 14402 1 19 . 1 1 80 80 ILE H H 80 7.690 7.690 7.475 0.215 19045 14403 1 19 . 1 1 81 81 ILE HA H 81 3.984 3.984 3.853 0.131 19045 14404 1 19 . 1 1 81 81 ILE CA C 81 63.608 63.608 64.018 -0.410 19045 14405 1 19 . 1 1 81 81 ILE CB C 81 37.587 37.587 37.427 0.160 19045 14406 1 19 . 1 1 81 81 ILE H H 81 7.910 7.910 8.342 -0.432 19045 14407 1 19 . 1 1 82 82 GLY CA C 82 45.566 45.566 44.454 1.112 19045 14408 1 19 . 1 1 82 82 GLY H H 82 7.765 7.765 8.189 -0.424 19045 14409 1 19 . 1 1 83 83 ASP N N 83 119.914 119.914 123.085 -3.171 19045 14410 1 19 . 1 1 83 83 ASP HA H 83 4.332 4.332 4.355 -0.023 19045 14411 1 19 . 1 1 83 83 ASP CA C 83 58.161 58.161 57.293 0.868 19045 14412 1 19 . 1 1 83 83 ASP CB C 83 41.771 41.771 41.108 0.663 19045 14413 1 19 . 1 1 83 83 ASP H H 83 7.400 7.400 7.940 -0.540 19045 14414 1 19 . 1 1 84 84 ASP N N 84 116.566 116.566 119.408 -2.842 19045 14415 1 19 . 1 1 84 84 ASP HA H 84 4.200 4.200 4.354 -0.154 19045 14416 1 19 . 1 1 84 84 ASP CA C 84 57.270 57.270 57.216 0.054 19045 14417 1 19 . 1 1 84 84 ASP CB C 84 40.593 40.593 40.087 0.506 19045 14418 1 19 . 1 1 84 84 ASP H H 84 8.523 8.523 8.329 0.194 19045 14419 1 19 . 1 1 85 85 ILE N N 85 120.454 120.454 119.229 1.225 19045 14420 1 19 . 1 1 85 85 ILE HA H 85 3.753 3.753 3.822 -0.069 19045 14421 1 19 . 1 1 85 85 ILE CA C 85 63.782 63.782 64.766 -0.984 19045 14422 1 19 . 1 1 85 85 ILE CB C 85 37.546 37.546 37.224 0.322 19045 14423 1 19 . 1 1 85 85 ILE H H 85 7.707 7.707 7.997 -0.290 19045 14424 1 19 . 1 1 86 86 ASN N N 86 118.583 118.583 120.086 -1.503 19045 14425 1 19 . 1 1 86 86 ASN HA H 86 4.472 4.472 4.421 0.051 19045 14426 1 19 . 1 1 86 86 ASN CA C 86 56.087 56.087 56.818 -0.731 19045 14427 1 19 . 1 1 86 86 ASN CB C 86 37.614 37.614 38.812 -1.198 19045 14428 1 19 . 1 1 86 86 ASN H H 86 8.440 8.440 8.409 0.031 19045 14429 1 19 . 1 1 87 87 ARG N N 87 117.819 117.819 118.630 -0.811 19045 14430 1 19 . 1 1 87 87 ARG HA H 87 4.043 4.043 4.048 -0.005 19045 14431 1 19 . 1 1 87 87 ARG CA C 87 59.035 59.035 58.326 0.709 19045 14432 1 19 . 1 1 87 87 ARG CB C 87 29.845 29.845 29.389 0.456 19045 14433 1 19 . 1 1 87 87 ARG H H 87 8.214 8.214 7.840 0.374 19045 14434 1 19 . 1 1 88 88 ARG N N 88 117.971 117.971 120.069 -2.098 19045 14435 1 19 . 1 1 88 88 ARG HA H 88 3.965 3.965 3.912 0.053 19045 14436 1 19 . 1 1 88 88 ARG CA C 88 58.161 58.161 59.076 -0.915 19045 14437 1 19 . 1 1 88 88 ARG CB C 88 30.376 30.376 30.332 0.044 19045 14438 1 19 . 1 1 88 88 ARG H H 88 7.438 7.438 8.045 -0.607 19045 14439 1 19 . 1 1 89 89 TYR N N 89 114.591 114.591 113.550 1.041 19045 14440 1 19 . 1 1 89 89 TYR HA H 89 4.753 4.753 4.662 0.091 19045 14441 1 19 . 1 1 89 89 TYR CA C 89 59.481 59.481 57.438 2.043 19045 14442 1 19 . 1 1 89 89 TYR CB C 89 39.610 39.610 37.535 2.075 19045 14443 1 19 . 1 1 89 89 TYR H H 89 7.635 7.635 7.991 -0.356 19045 14444 1 19 . 1 1 90 90 ASP HA H 90 4.820 4.820 4.579 0.241 19045 14445 1 19 . 1 1 90 90 ASP CA C 90 58.200 58.200 56.838 1.362 19045 14446 1 19 . 1 1 90 90 ASP CB C 90 41.407 41.407 41.582 -0.175 19045 14447 1 19 . 1 1 90 90 ASP H H 90 8.282 8.282 7.482 0.800 19045 14448 1 19 . 1 1 91 91 SER N N 91 115.266 115.266 116.011 -0.745 19045 14449 1 19 . 1 1 91 91 SER HA H 91 4.170 4.170 4.125 0.045 19045 14450 1 19 . 1 1 91 91 SER CA C 91 61.780 61.780 62.408 -0.628 19045 14451 1 19 . 1 1 91 91 SER CB C 91 61.891 61.891 63.190 -1.299 19045 14452 1 19 . 1 1 91 91 SER H H 91 8.717 8.717 8.108 0.609 19045 14453 1 19 . 1 1 92 92 GLU N N 92 122.093 122.093 120.319 1.774 19045 14454 1 19 . 1 1 92 92 GLU HA H 92 4.056 4.056 4.077 -0.021 19045 14455 1 19 . 1 1 92 92 GLU CA C 92 58.928 58.928 59.051 -0.123 19045 14456 1 19 . 1 1 92 92 GLU CB C 92 29.796 29.796 29.415 0.381 19045 14457 1 19 . 1 1 92 92 GLU H H 92 8.025 8.025 8.779 -0.754 19045 14458 1 19 . 1 1 93 93 PHE HA H 93 4.171 4.171 4.497 -0.326 19045 14459 1 19 . 1 1 93 93 PHE CA C 93 60.704 60.704 60.383 0.321 19045 14460 1 19 . 1 1 93 93 PHE CB C 93 38.780 38.780 40.403 -1.623 19045 14461 1 19 . 1 1 93 93 PHE H H 93 7.801 7.801 8.015 -0.214 19045 14462 1 19 . 1 1 94 94 GLN N N 94 118.578 118.578 121.237 -2.659 19045 14463 1 19 . 1 1 94 94 GLN HA H 94 3.847 3.847 3.978 -0.131 19045 14464 1 19 . 1 1 94 94 GLN CA C 94 59.981 59.981 59.715 0.266 19045 14465 1 19 . 1 1 94 94 GLN CB C 94 28.415 28.415 28.965 -0.550 19045 14466 1 19 . 1 1 94 94 GLN H H 94 8.609 8.609 8.777 -0.168 19045 14467 1 19 . 1 1 95 95 THR N N 95 116.128 116.128 115.865 0.263 19045 14468 1 19 . 1 1 95 95 THR HA H 95 3.811 3.811 3.956 -0.145 19045 14469 1 19 . 1 1 95 95 THR CA C 95 66.391 66.391 66.273 0.118 19045 14470 1 19 . 1 1 95 95 THR CB C 95 68.361 68.361 68.863 -0.502 19045 14471 1 19 . 1 1 95 95 THR H H 95 7.826 7.826 8.444 -0.618 19045 14472 1 19 . 1 1 96 96 MET N N 96 120.474 120.474 117.955 2.519 19045 14473 1 19 . 1 1 96 96 MET HA H 96 3.933 3.933 3.652 0.281 19045 14474 1 19 . 1 1 96 96 MET CA C 96 59.949 59.949 57.667 2.282 19045 14475 1 19 . 1 1 96 96 MET CB C 96 33.087 33.087 32.270 0.817 19045 14476 1 19 . 1 1 96 96 MET H H 96 7.728 7.728 7.347 0.381 19045 14477 1 19 . 1 1 97 97 LEU N N 97 118.904 118.904 122.194 -3.290 19045 14478 1 19 . 1 1 97 97 LEU HA H 97 3.604 3.604 3.688 -0.084 19045 14479 1 19 . 1 1 97 97 LEU CA C 97 57.771 57.771 57.461 0.310 19045 14480 1 19 . 1 1 97 97 LEU CB C 97 40.836 40.836 41.046 -0.210 19045 14481 1 19 . 1 1 97 97 LEU H H 97 8.112 8.112 7.667 0.445 19045 14482 1 19 . 1 1 98 98 GLN N N 98 116.798 116.798 117.197 -0.399 19045 14483 1 19 . 1 1 98 98 GLN HA H 98 4.003 4.003 4.226 -0.223 19045 14484 1 19 . 1 1 98 98 GLN CA C 98 58.337 58.337 58.302 0.035 19045 14485 1 19 . 1 1 98 98 GLN CB C 98 27.659 27.659 28.510 -0.851 19045 14486 1 19 . 1 1 98 98 GLN H H 98 7.754 7.754 8.051 -0.297 19045 14487 1 19 . 1 1 99 99 HIS N N 99 115.943 115.943 116.806 -0.863 19045 14488 1 19 . 1 1 99 99 HIS HA H 99 4.442 4.442 4.319 0.123 19045 14489 1 19 . 1 1 99 99 HIS CA C 99 57.025 57.025 56.554 0.471 19045 14490 1 19 . 1 1 99 99 HIS CB C 99 28.848 28.848 30.372 -1.524 19045 14491 1 19 . 1 1 99 99 HIS H H 99 7.504 7.504 7.689 -0.185 19045 14492 1 19 . 1 1 100 100 LEU N N 100 121.347 121.347 120.468 0.879 19045 14493 1 19 . 1 1 100 100 LEU HA H 100 3.803 3.803 3.977 -0.174 19045 14494 1 19 . 1 1 100 100 LEU CA C 100 56.801 56.801 56.861 -0.060 19045 14495 1 19 . 1 1 100 100 LEU CB C 100 42.563 42.563 42.550 0.013 19045 14496 1 19 . 1 1 100 100 LEU H H 100 8.013 8.013 7.618 0.395 19045 14497 1 19 . 1 1 101 101 GLN N N 101 110.029 110.029 114.171 -4.142 19045 14498 1 19 . 1 1 101 101 GLN HA H 101 4.003 4.003 4.163 -0.160 19045 14499 1 19 . 1 1 101 101 GLN CA C 101 55.685 55.685 55.703 -0.018 19045 14500 1 19 . 1 1 101 101 GLN CB C 101 27.301 27.301 26.210 1.091 19045 14501 1 19 . 1 1 101 101 GLN H H 101 7.763 7.763 7.937 -0.174 19045 14502 1 19 . 1 1 102 102 PRO HA H 102 4.926 4.926 4.632 0.294 19045 14503 1 19 . 1 1 102 102 PRO CA C 102 62.372 62.372 63.235 -0.863 19045 14504 1 19 . 1 1 102 102 PRO CB C 102 31.963 31.963 32.451 -0.488 19045 14505 1 19 . 1 1 103 103 THR N N 103 114.119 114.119 107.735 6.384 19045 14506 1 19 . 1 1 103 103 THR HA H 103 4.420 4.420 4.635 -0.215 19045 14507 1 19 . 1 1 103 103 THR CA C 103 58.716 58.716 59.314 -0.598 19045 14508 1 19 . 1 1 103 103 THR CB C 103 72.929 72.929 72.347 0.582 19045 14509 1 19 . 1 1 103 103 THR H H 103 9.386 9.386 8.209 1.177 19045 14510 1 19 . 1 1 104 104 ALA N N 104 120.374 120.374 122.326 -1.952 19045 14511 1 19 . 1 1 104 104 ALA HA H 104 3.737 3.737 4.628 -0.891 19045 14512 1 19 . 1 1 104 104 ALA CA C 104 54.782 54.782 54.844 -0.062 19045 14513 1 19 . 1 1 104 104 ALA CB C 104 18.050 18.050 18.682 -0.632 19045 14514 1 19 . 1 1 104 104 ALA H H 104 8.723 8.723 8.541 0.182 19045 14515 1 19 . 1 1 105 105 GLU N N 105 113.834 113.834 116.001 -2.167 19045 14516 1 19 . 1 1 105 105 GLU HA H 105 4.122 4.122 4.200 -0.078 19045 14517 1 19 . 1 1 105 105 GLU CA C 105 58.707 58.707 58.837 -0.130 19045 14518 1 19 . 1 1 105 105 GLU CB C 105 29.445 29.445 29.300 0.145 19045 14519 1 19 . 1 1 105 105 GLU H H 105 7.969 7.969 8.519 -0.550 19045 14520 1 19 . 1 1 106 106 ASN N N 106 114.135 114.135 117.155 -3.020 19045 14521 1 19 . 1 1 106 106 ASN HA H 106 4.781 4.781 4.279 0.502 19045 14522 1 19 . 1 1 106 106 ASN CA C 106 52.222 52.222 52.390 -0.168 19045 14523 1 19 . 1 1 106 106 ASN CB C 106 38.983 38.983 38.176 0.807 19045 14524 1 19 . 1 1 106 106 ASN H H 106 7.151 7.151 7.648 -0.497 19045 14525 1 19 . 1 1 107 107 ALA N N 107 121.280 121.280 123.826 -2.546 19045 14526 1 19 . 1 1 107 107 ALA HA H 107 3.858 3.858 4.109 -0.251 19045 14527 1 19 . 1 1 107 107 ALA CA C 107 56.988 56.988 55.341 1.647 19045 14528 1 19 . 1 1 107 107 ALA CB C 107 18.278 18.278 18.972 -0.694 19045 14529 1 19 . 1 1 107 107 ALA H H 107 7.940 7.940 7.089 0.851 19045 14530 1 19 . 1 1 108 108 TYR N N 108 117.339 117.339 115.436 1.903 19045 14531 1 19 . 1 1 108 108 TYR HA H 108 3.048 3.048 3.864 -0.816 19045 14532 1 19 . 1 1 108 108 TYR CA C 108 60.578 60.578 59.702 0.876 19045 14533 1 19 . 1 1 108 108 TYR CB C 108 36.804 36.804 36.678 0.126 19045 14534 1 19 . 1 1 108 108 TYR H H 108 8.783 8.783 8.027 0.756 19045 14535 1 19 . 1 1 109 109 GLU N N 109 123.316 123.316 120.716 2.600 19045 14536 1 19 . 1 1 109 109 GLU HA H 109 3.681 3.681 3.764 -0.083 19045 14537 1 19 . 1 1 109 109 GLU CA C 109 59.152 59.152 58.869 0.283 19045 14538 1 19 . 1 1 109 109 GLU CB C 109 28.782 28.782 28.934 -0.152 19045 14539 1 19 . 1 1 109 109 GLU H H 109 8.084 8.084 7.420 0.664 19045 14540 1 19 . 1 1 110 110 TYR N N 110 117.254 117.254 116.900 0.354 19045 14541 1 19 . 1 1 110 110 TYR HA H 110 4.339 4.339 4.406 -0.067 19045 14542 1 19 . 1 1 110 110 TYR CA C 110 58.527 58.527 58.323 0.204 19045 14543 1 19 . 1 1 110 110 TYR CB C 110 36.323 36.323 38.294 -1.972 19045 14544 1 19 . 1 1 110 110 TYR H H 110 8.282 8.282 7.695 0.587 19045 14545 1 19 . 1 1 111 111 PHE N N 111 119.028 119.028 121.009 -1.981 19045 14546 1 19 . 1 1 111 111 PHE HA H 111 3.889 3.889 4.253 -0.364 19045 14547 1 19 . 1 1 111 111 PHE CA C 111 62.350 62.350 61.346 1.004 19045 14548 1 19 . 1 1 111 111 PHE CB C 111 39.369 39.369 39.130 0.239 19045 14549 1 19 . 1 1 111 111 PHE H H 111 9.197 9.197 8.775 0.422 19045 14550 1 19 . 1 1 112 112 THR N N 112 113.669 113.669 111.821 1.848 19045 14551 1 19 . 1 1 112 112 THR HA H 112 3.411 3.411 3.368 0.043 19045 14552 1 19 . 1 1 112 112 THR CA C 112 67.185 67.185 66.447 0.738 19045 14553 1 19 . 1 1 112 112 THR CB C 112 68.294 68.294 68.427 -0.133 19045 14554 1 19 . 1 1 112 112 THR H H 112 8.315 8.315 8.359 -0.044 19045 14555 1 19 . 1 1 113 113 LYS N N 113 124.090 124.090 122.390 1.700 19045 14556 1 19 . 1 1 113 113 LYS HA H 113 3.854 3.854 4.106 -0.252 19045 14557 1 19 . 1 1 113 113 LYS CA C 113 60.416 60.416 58.992 1.424 19045 14558 1 19 . 1 1 113 113 LYS CB C 113 33.219 33.219 32.208 1.011 19045 14559 1 19 . 1 1 113 113 LYS H H 113 8.335 8.335 7.235 1.100 19045 14560 1 19 . 1 1 114 114 ILE N N 114 120.457 120.457 119.411 1.046 19045 14561 1 19 . 1 1 114 114 ILE HA H 114 3.145 3.145 3.582 -0.437 19045 14562 1 19 . 1 1 114 114 ILE CA C 114 65.550 65.550 63.141 2.409 19045 14563 1 19 . 1 1 114 114 ILE CB C 114 37.402 37.402 35.940 1.462 19045 14564 1 19 . 1 1 114 114 ILE H H 114 8.042 8.042 7.869 0.173 19045 14565 1 19 . 1 1 115 115 ALA N N 115 121.066 121.066 123.064 -1.998 19045 14566 1 19 . 1 1 115 115 ALA HA H 115 3.219 3.219 3.852 -0.633 19045 14567 1 19 . 1 1 115 115 ALA CA C 115 54.940 54.940 55.268 -0.328 19045 14568 1 19 . 1 1 115 115 ALA CB C 115 16.345 16.345 17.215 -0.870 19045 14569 1 19 . 1 1 115 115 ALA H H 115 8.208 8.208 8.071 0.137 19045 14570 1 19 . 1 1 116 116 THR N N 116 112.803 112.803 114.970 -2.167 19045 14571 1 19 . 1 1 116 116 THR HA H 116 3.808 3.808 4.256 -0.448 19045 14572 1 19 . 1 1 116 116 THR CA C 116 67.557 67.557 66.996 0.562 19045 14573 1 19 . 1 1 116 116 THR CB C 116 68.431 68.431 68.552 -0.121 19045 14574 1 19 . 1 1 116 116 THR H H 116 7.893 7.893 7.895 -0.002 19045 14575 1 19 . 1 1 117 117 SER N N 117 115.935 115.935 115.931 0.004 19045 14576 1 19 . 1 1 117 117 SER HA H 117 4.070 4.070 4.203 -0.133 19045 14577 1 19 . 1 1 117 117 SER CA C 117 61.879 61.879 61.360 0.519 19045 14578 1 19 . 1 1 117 117 SER CB C 117 62.907 62.907 63.373 -0.466 19045 14579 1 19 . 1 1 117 117 SER H H 117 7.139 7.139 7.805 -0.666 19045 14580 1 19 . 1 1 118 118 LEU N N 118 123.462 123.462 123.325 0.137 19045 14581 1 19 . 1 1 118 118 LEU HA H 118 3.596 3.596 3.907 -0.311 19045 14582 1 19 . 1 1 118 118 LEU CA C 118 58.014 58.014 57.453 0.561 19045 14583 1 19 . 1 1 118 118 LEU CB C 118 41.687 41.687 42.355 -0.668 19045 14584 1 19 . 1 1 118 118 LEU H H 118 7.844 7.844 7.624 0.220 19045 14585 1 19 . 1 1 119 119 PHE N N 119 110.270 110.270 113.340 -3.070 19045 14586 1 19 . 1 1 119 119 PHE HA H 119 4.721 4.721 4.779 -0.058 19045 14587 1 19 . 1 1 119 119 PHE CA C 119 58.698 58.698 57.535 1.163 19045 14588 1 19 . 1 1 119 119 PHE CB C 119 38.838 38.838 37.408 1.430 19045 14589 1 19 . 1 1 119 119 PHE H H 119 6.878 6.878 8.373 -1.495 19045 14590 1 19 . 1 1 120 120 GLU N N 120 123.135 123.135 120.094 3.041 19045 14591 1 19 . 1 1 120 120 GLU HA H 120 4.016 4.016 4.288 -0.272 19045 14592 1 19 . 1 1 120 120 GLU CA C 120 59.532 59.532 58.364 1.168 19045 14593 1 19 . 1 1 120 120 GLU CB C 120 29.337 29.337 29.847 -0.510 19045 14594 1 19 . 1 1 120 120 GLU H H 120 7.551 7.551 7.849 -0.298 19045 14595 1 19 . 1 1 121 121 SER N N 121 107.983 107.983 114.067 -6.084 19045 14596 1 19 . 1 1 121 121 SER HA H 121 4.522 4.522 4.389 0.133 19045 14597 1 19 . 1 1 121 121 SER CA C 121 57.342 57.342 59.809 -2.467 19045 14598 1 19 . 1 1 121 121 SER CB C 121 63.353 63.353 63.965 -0.612 19045 14599 1 19 . 1 1 121 121 SER H H 121 7.712 7.712 8.471 -0.759 19045 14600 1 19 . 1 1 122 122 GLY N N 122 110.748 110.748 107.199 3.549 19045 14601 1 19 . 1 1 122 122 GLY CA C 122 44.419 44.419 45.175 -0.756 19045 14602 1 19 . 1 1 122 122 GLY H H 122 7.317 7.317 7.947 -0.630 19045 14603 1 19 . 1 1 123 123 ILE N N 123 117.061 117.061 118.069 -1.008 19045 14604 1 19 . 1 1 123 123 ILE HA H 123 3.724 3.724 4.380 -0.656 19045 14605 1 19 . 1 1 123 123 ILE CA C 123 61.383 61.383 59.824 1.559 19045 14606 1 19 . 1 1 123 123 ILE CB C 123 40.588 40.588 41.719 -1.131 19045 14607 1 19 . 1 1 123 123 ILE H H 123 7.963 7.963 8.129 -0.166 19045 14608 1 19 . 1 1 124 124 ASN N N 124 117.915 117.915 120.456 -2.541 19045 14609 1 19 . 1 1 124 124 ASN HA H 124 4.204 4.204 4.836 -0.632 19045 14610 1 19 . 1 1 124 124 ASN CA C 124 51.886 51.886 52.174 -0.288 19045 14611 1 19 . 1 1 124 124 ASN CB C 124 39.033 39.033 40.443 -1.410 19045 14612 1 19 . 1 1 124 124 ASN H H 124 6.434 6.434 7.796 -1.362 19045 14613 1 19 . 1 1 125 125 TRP N N 125 119.673 119.673 123.232 -3.559 19045 14614 1 19 . 1 1 125 125 TRP HA H 125 4.470 4.470 4.535 -0.065 19045 14615 1 19 . 1 1 125 125 TRP CA C 125 61.257 61.257 60.756 0.501 19045 14616 1 19 . 1 1 125 125 TRP CB C 125 30.287 30.287 29.924 0.363 19045 14617 1 19 . 1 1 125 125 TRP H H 125 8.824 8.824 9.068 -0.244 19045 14618 1 19 . 1 1 126 126 GLY N N 126 107.516 107.516 106.240 1.276 19045 14619 1 19 . 1 1 126 126 GLY CA C 126 48.294 48.294 47.561 0.733 19045 14620 1 19 . 1 1 126 126 GLY H H 126 9.118 9.118 8.152 0.966 19045 14621 1 19 . 1 1 127 127 ARG N N 127 119.610 119.610 121.898 -2.288 19045 14622 1 19 . 1 1 127 127 ARG HA H 127 3.742 3.742 3.947 -0.205 19045 14623 1 19 . 1 1 127 127 ARG CA C 127 59.551 59.551 59.042 0.509 19045 14624 1 19 . 1 1 127 127 ARG CB C 127 31.163 31.163 29.819 1.344 19045 14625 1 19 . 1 1 127 127 ARG H H 127 8.616 8.616 8.263 0.353 19045 14626 1 19 . 1 1 128 128 VAL N N 128 120.289 120.289 119.602 0.687 19045 14627 1 19 . 1 1 128 128 VAL HA H 128 3.662 3.662 3.935 -0.273 19045 14628 1 19 . 1 1 128 128 VAL CA C 128 68.387 68.387 66.911 1.476 19045 14629 1 19 . 1 1 128 128 VAL CB C 128 31.127 31.127 31.709 -0.582 19045 14630 1 19 . 1 1 128 128 VAL H H 128 7.762 7.762 8.018 -0.256 19045 14631 1 19 . 1 1 129 129 VAL N N 129 119.577 119.577 119.721 -0.144 19045 14632 1 19 . 1 1 129 129 VAL HA H 129 3.449 3.449 3.586 -0.137 19045 14633 1 19 . 1 1 129 129 VAL CA C 129 67.772 67.772 66.960 0.812 19045 14634 1 19 . 1 1 129 129 VAL CB C 129 30.918 30.918 31.590 -0.672 19045 14635 1 19 . 1 1 129 129 VAL H H 129 8.433 8.433 7.655 0.777 19045 14636 1 19 . 1 1 130 130 ALA N N 130 123.330 123.330 123.080 0.250 19045 14637 1 19 . 1 1 130 130 ALA HA H 130 4.069 4.069 4.039 0.030 19045 14638 1 19 . 1 1 130 130 ALA CA C 130 54.978 54.978 55.264 -0.286 19045 14639 1 19 . 1 1 130 130 ALA CB C 130 17.446 17.446 18.401 -0.955 19045 14640 1 19 . 1 1 130 130 ALA H H 130 8.766 8.766 7.941 0.825 19045 14641 1 19 . 1 1 131 131 LEU N N 131 120.040 120.040 119.406 0.634 19045 14642 1 19 . 1 1 131 131 LEU HA H 131 3.961 3.961 4.564 -0.603 19045 14643 1 19 . 1 1 131 131 LEU CA C 131 58.353 58.353 58.696 -0.343 19045 14644 1 19 . 1 1 131 131 LEU CB C 131 40.750 40.750 42.300 -1.550 19045 14645 1 19 . 1 1 131 131 LEU H H 131 8.178 8.178 8.295 -0.117 19045 14646 1 19 . 1 1 132 132 LEU N N 132 119.150 119.150 117.382 1.768 19045 14647 1 19 . 1 1 132 132 LEU HA H 132 3.952 3.952 4.342 -0.390 19045 14648 1 19 . 1 1 132 132 LEU CA C 132 58.620 58.620 57.525 1.095 19045 14649 1 19 . 1 1 132 132 LEU CB C 132 38.835 38.835 40.757 -1.922 19045 14650 1 19 . 1 1 132 132 LEU H H 132 7.927 7.927 7.501 0.426 19045 14651 1 19 . 1 1 133 133 GLY N N 133 107.066 107.066 108.345 -1.279 19045 14652 1 19 . 1 1 133 133 GLY CA C 133 48.339 48.339 47.624 0.715 19045 14653 1 19 . 1 1 133 133 GLY H H 133 8.752 8.752 8.392 0.360 19045 14654 1 19 . 1 1 134 134 PHE N N 134 123.521 123.521 121.301 2.220 19045 14655 1 19 . 1 1 134 134 PHE HA H 134 4.601 4.601 4.353 0.248 19045 14656 1 19 . 1 1 134 134 PHE CA C 134 59.884 59.884 58.512 1.372 19045 14657 1 19 . 1 1 134 134 PHE CB C 134 38.622 38.622 38.236 0.386 19045 14658 1 19 . 1 1 134 134 PHE H H 134 8.606 8.606 8.442 0.164 19045 14659 1 19 . 1 1 135 135 GLY N N 135 106.412 106.412 109.080 -2.668 19045 14660 1 19 . 1 1 135 135 GLY CA C 135 47.731 47.731 47.177 0.554 19045 14661 1 19 . 1 1 135 135 GLY H H 135 8.715 8.715 7.640 1.075 19045 14662 1 19 . 1 1 136 136 TYR N N 136 121.461 121.461 123.285 -1.824 19045 14663 1 19 . 1 1 136 136 TYR HA H 136 4.116 4.116 4.348 -0.232 19045 14664 1 19 . 1 1 136 136 TYR CA C 136 61.564 61.564 61.613 -0.049 19045 14665 1 19 . 1 1 136 136 TYR CB C 136 38.469 38.469 38.818 -0.349 19045 14666 1 19 . 1 1 136 136 TYR H H 136 8.809 8.809 8.101 0.708 19045 14667 1 19 . 1 1 137 137 ARG N N 137 117.518 117.518 120.052 -2.534 19045 14668 1 19 . 1 1 137 137 ARG HA H 137 3.647 3.647 4.174 -0.527 19045 14669 1 19 . 1 1 137 137 ARG CA C 137 58.904 58.904 59.742 -0.838 19045 14670 1 19 . 1 1 137 137 ARG CB C 137 29.189 29.189 29.908 -0.719 19045 14671 1 19 . 1 1 137 137 ARG H H 137 8.646 8.646 7.755 0.891 19045 14672 1 19 . 1 1 138 138 LEU N N 138 121.658 121.658 119.014 2.644 19045 14673 1 19 . 1 1 138 138 LEU HA H 138 3.905 3.905 4.219 -0.314 19045 14674 1 19 . 1 1 138 138 LEU CA C 138 58.454 58.454 57.997 0.457 19045 14675 1 19 . 1 1 138 138 LEU CB C 138 41.801 41.801 41.665 0.136 19045 14676 1 19 . 1 1 138 138 LEU H H 138 9.065 9.065 8.343 0.722 19045 14677 1 19 . 1 1 139 139 ALA N N 139 120.012 120.012 122.182 -2.170 19045 14678 1 19 . 1 1 139 139 ALA HA H 139 4.004 4.004 4.353 -0.349 19045 14679 1 19 . 1 1 139 139 ALA CA C 139 55.174 55.174 55.285 -0.111 19045 14680 1 19 . 1 1 139 139 ALA CB C 139 17.943 17.943 18.417 -0.474 19045 14681 1 19 . 1 1 139 139 ALA H H 139 8.237 8.237 7.974 0.263 19045 14682 1 19 . 1 1 140 140 LEU N N 140 119.522 119.522 119.341 0.181 19045 14683 1 19 . 1 1 140 140 LEU HA H 140 4.000 4.000 4.119 -0.119 19045 14684 1 19 . 1 1 140 140 LEU CA C 140 57.805 57.805 57.801 0.004 19045 14685 1 19 . 1 1 140 140 LEU CB C 140 42.324 42.324 42.019 0.305 19045 14686 1 19 . 1 1 140 140 LEU H H 140 8.191 8.191 8.136 0.055 19045 14687 1 19 . 1 1 141 141 HIS N N 141 117.834 117.834 118.083 -0.249 19045 14688 1 19 . 1 1 141 141 HIS HA H 141 4.183 4.183 4.304 -0.121 19045 14689 1 19 . 1 1 141 141 HIS CA C 141 60.960 60.960 60.141 0.819 19045 14690 1 19 . 1 1 141 141 HIS CB C 141 31.708 31.708 30.396 1.312 19045 14691 1 19 . 1 1 141 141 HIS H H 141 8.253 8.253 8.514 -0.261 19045 14692 1 19 . 1 1 142 142 VAL N N 142 113.700 113.700 116.963 -3.263 19045 14693 1 19 . 1 1 142 142 VAL HA H 142 3.887 3.887 4.137 -0.250 19045 14694 1 19 . 1 1 142 142 VAL CA C 142 65.948 65.948 62.491 3.457 19045 14695 1 19 . 1 1 142 142 VAL CB C 142 30.264 30.264 32.749 -2.485 19045 14696 1 19 . 1 1 142 142 VAL H H 142 8.455 8.455 7.768 0.687 19045 14697 1 19 . 1 1 143 143 TYR N N 143 123.307 123.307 121.226 2.081 19045 14698 1 19 . 1 1 143 143 TYR HA H 143 4.320 4.320 4.063 0.257 19045 14699 1 19 . 1 1 143 143 TYR CA C 143 61.934 61.934 61.376 0.558 19045 14700 1 19 . 1 1 143 143 TYR CB C 143 38.779 38.779 38.711 0.068 19045 14701 1 19 . 1 1 143 143 TYR H H 143 7.750 7.750 7.839 -0.089 19045 14702 1 19 . 1 1 144 144 GLN N N 144 118.560 118.560 117.586 0.974 19045 14703 1 19 . 1 1 144 144 GLN HA H 144 3.686 3.686 3.943 -0.257 19045 14704 1 19 . 1 1 144 144 GLN CA C 144 58.055 58.055 58.537 -0.482 19045 14705 1 19 . 1 1 144 144 GLN CB C 144 27.859 27.859 28.251 -0.392 19045 14706 1 19 . 1 1 144 144 GLN H H 144 8.486 8.486 8.317 0.169 19045 14707 1 19 . 1 1 145 145 HIS N N 145 114.312 114.312 115.465 -1.153 19045 14708 1 19 . 1 1 145 145 HIS HA H 145 4.330 4.330 4.388 -0.058 19045 14709 1 19 . 1 1 145 145 HIS CA C 145 56.178 56.178 57.016 -0.837 19045 14710 1 19 . 1 1 145 145 HIS CB C 145 27.751 27.751 30.643 -2.892 19045 14711 1 19 . 1 1 145 145 HIS H H 145 7.350 7.350 7.296 0.054 19045 14712 1 19 . 1 1 146 146 GLY N N 146 106.537 106.537 107.576 -1.039 19045 14713 1 19 . 1 1 146 146 GLY CA C 146 45.715 45.715 44.704 1.011 19045 14714 1 19 . 1 1 146 146 GLY H H 146 7.471 7.471 7.678 -0.207 19045 14715 1 19 . 1 1 147 147 LEU N N 147 123.302 123.302 123.099 0.203 19045 14716 1 19 . 1 1 147 147 LEU HA H 147 4.496 4.496 4.674 -0.178 19045 14717 1 19 . 1 1 147 147 LEU CA C 147 54.259 54.259 53.617 0.642 19045 14718 1 19 . 1 1 147 147 LEU CB C 147 41.033 41.033 43.518 -2.485 19045 14719 1 19 . 1 1 147 147 LEU H H 147 7.933 7.933 7.302 0.631 19045 14720 1 19 . 1 1 148 148 THR HA H 148 4.523 4.523 4.171 0.352 19045 14721 1 19 . 1 1 148 148 THR CA C 148 61.027 61.027 64.017 -2.990 19045 14722 1 19 . 1 1 148 148 THR CB C 148 70.359 70.359 69.117 1.242 19045 14723 1 19 . 1 1 149 149 GLY CA C 149 47.016 47.016 44.876 2.140 19045 14724 1 19 . 1 1 149 149 GLY H H 149 8.458 8.458 8.030 0.428 19045 14725 1 19 . 1 1 150 150 PHE N N 150 123.408 123.408 125.642 -2.234 19045 14726 1 19 . 1 1 150 150 PHE HA H 150 4.555 4.555 4.742 -0.187 19045 14727 1 19 . 1 1 150 150 PHE CA C 150 57.964 57.964 57.963 0.001 19045 14728 1 19 . 1 1 150 150 PHE CB C 150 42.911 42.911 41.104 1.807 19045 14729 1 19 . 1 1 150 150 PHE H H 150 9.331 9.331 8.780 0.551 19045 14730 1 19 . 1 1 151 151 LEU N N 151 123.032 123.032 120.404 2.628 19045 14731 1 19 . 1 1 151 151 LEU HA H 151 3.859 3.859 3.934 -0.075 19045 14732 1 19 . 1 1 151 151 LEU CA C 151 58.454 58.454 58.639 -0.185 19045 14733 1 19 . 1 1 151 151 LEU CB C 151 40.948 40.948 40.480 0.469 19045 14734 1 19 . 1 1 151 151 LEU H H 151 8.470 8.470 7.989 0.481 19045 14735 1 19 . 1 1 152 152 GLY N N 152 108.386 108.386 104.120 4.266 19045 14736 1 19 . 1 1 152 152 GLY CA C 152 46.676 46.676 47.056 -0.380 19045 14737 1 19 . 1 1 152 152 GLY H H 152 8.577 8.577 8.472 0.105 19045 14738 1 19 . 1 1 153 153 GLN N N 153 122.055 122.055 120.960 1.095 19045 14739 1 19 . 1 1 153 153 GLN HA H 153 3.532 3.532 3.519 0.013 19045 14740 1 19 . 1 1 153 153 GLN CA C 153 57.844 57.844 57.598 0.246 19045 14741 1 19 . 1 1 153 153 GLN CB C 153 26.442 26.442 27.289 -0.847 19045 14742 1 19 . 1 1 153 153 GLN H H 153 7.106 7.106 7.630 -0.524 19045 14743 1 19 . 1 1 154 154 VAL N N 154 116.706 116.706 119.800 -3.094 19045 14744 1 19 . 1 1 154 154 VAL HA H 154 2.428 2.428 3.443 -1.015 19045 14745 1 19 . 1 1 154 154 VAL CA C 154 66.089 66.089 66.213 -0.125 19045 14746 1 19 . 1 1 154 154 VAL CB C 154 31.463 31.463 30.775 0.688 19045 14747 1 19 . 1 1 154 154 VAL H H 154 7.033 7.033 8.270 -1.237 19045 14748 1 19 . 1 1 155 155 THR N N 155 114.165 114.165 115.723 -1.558 19045 14749 1 19 . 1 1 155 155 THR HA H 155 3.317 3.317 3.466 -0.149 19045 14750 1 19 . 1 1 155 155 THR CA C 155 67.050 67.050 66.860 0.190 19045 14751 1 19 . 1 1 155 155 THR CB C 155 68.307 68.307 68.221 0.087 19045 14752 1 19 . 1 1 155 155 THR H H 155 7.860 7.860 7.954 -0.094 19045 14753 1 19 . 1 1 156 156 ARG N N 156 119.890 119.890 121.422 -1.532 19045 14754 1 19 . 1 1 156 156 ARG HA H 156 3.769 3.769 3.952 -0.183 19045 14755 1 19 . 1 1 156 156 ARG CA C 156 58.769 58.769 58.715 0.054 19045 14756 1 19 . 1 1 156 156 ARG CB C 156 28.693 28.693 29.349 -0.656 19045 14757 1 19 . 1 1 156 156 ARG H H 156 7.019 7.019 7.752 -0.733 19045 14758 1 19 . 1 1 157 157 PHE N N 157 118.242 118.242 118.815 -0.573 19045 14759 1 19 . 1 1 157 157 PHE HA H 157 4.426 4.426 4.316 0.110 19045 14760 1 19 . 1 1 157 157 PHE CA C 157 56.928 56.928 61.193 -4.265 19045 14761 1 19 . 1 1 157 157 PHE CB C 157 35.794 35.794 37.878 -2.084 19045 14762 1 19 . 1 1 157 157 PHE H H 157 8.030 8.030 8.177 -0.147 19045 14763 1 19 . 1 1 158 158 VAL N N 158 118.961 118.961 119.534 -0.573 19045 14764 1 19 . 1 1 158 158 VAL HA H 158 3.425 3.425 3.967 -0.542 19045 14765 1 19 . 1 1 158 158 VAL CA C 158 67.288 67.288 67.529 -0.241 19045 14766 1 19 . 1 1 158 158 VAL CB C 158 31.554 31.554 31.248 0.305 19045 14767 1 19 . 1 1 158 158 VAL H H 158 7.607 7.607 8.208 -0.601 19045 14768 1 19 . 1 1 159 159 VAL N N 159 119.773 119.773 120.829 -1.056 19045 14769 1 19 . 1 1 159 159 VAL HA H 159 3.358 3.358 3.520 -0.162 19045 14770 1 19 . 1 1 159 159 VAL CA C 159 67.570 67.570 67.201 0.369 19045 14771 1 19 . 1 1 159 159 VAL CB C 159 32.355 32.355 31.342 1.013 19045 14772 1 19 . 1 1 159 159 VAL H H 159 8.039 8.039 7.983 0.056 19045 14773 1 19 . 1 1 160 160 ASP N N 160 118.382 118.382 120.353 -1.971 19045 14774 1 19 . 1 1 160 160 ASP HA H 160 4.293 4.293 4.376 -0.083 19045 14775 1 19 . 1 1 160 160 ASP CA C 160 57.567 57.567 58.172 -0.605 19045 14776 1 19 . 1 1 160 160 ASP CB C 160 41.474 41.474 40.893 0.581 19045 14777 1 19 . 1 1 160 160 ASP H H 160 8.752 8.752 8.402 0.350 19045 14778 1 19 . 1 1 161 161 PHE N N 161 119.972 119.972 120.432 -0.460 19045 14779 1 19 . 1 1 161 161 PHE HA H 161 4.175 4.175 4.230 -0.055 19045 14780 1 19 . 1 1 161 161 PHE CA C 161 62.688 62.688 61.388 1.300 19045 14781 1 19 . 1 1 161 161 PHE CB C 161 39.789 39.789 39.396 0.393 19045 14782 1 19 . 1 1 161 161 PHE H H 161 8.558 8.558 8.302 0.256 19045 14783 1 19 . 1 1 162 162 MET N N 162 116.261 116.261 119.846 -3.585 19045 14784 1 19 . 1 1 162 162 MET HA H 162 3.702 3.702 3.995 -0.293 19045 14785 1 19 . 1 1 162 162 MET CA C 162 59.342 59.342 59.497 -0.155 19045 14786 1 19 . 1 1 162 162 MET CB C 162 32.081 32.081 32.849 -0.768 19045 14787 1 19 . 1 1 162 162 MET H H 162 8.597 8.597 8.803 -0.206 19045 14788 1 19 . 1 1 163 163 LEU N N 163 119.069 119.069 114.900 4.169 19045 14789 1 19 . 1 1 163 163 LEU HA H 163 3.952 3.952 4.077 -0.125 19045 14790 1 19 . 1 1 163 163 LEU CA C 163 57.856 57.856 55.624 2.232 19045 14791 1 19 . 1 1 163 163 LEU CB C 163 42.236 42.236 40.832 1.404 19045 14792 1 19 . 1 1 163 163 LEU H H 163 8.291 8.291 7.666 0.625 19045 14793 1 19 . 1 1 164 164 HIS N N 164 113.591 113.591 115.690 -2.099 19045 14794 1 19 . 1 1 164 164 HIS HA H 164 4.430 4.430 4.717 -0.287 19045 14795 1 19 . 1 1 164 164 HIS CA C 164 57.289 57.289 55.525 1.764 19045 14796 1 19 . 1 1 164 164 HIS CB C 164 28.766 28.766 30.561 -1.795 19045 14797 1 19 . 1 1 164 164 HIS H H 164 8.111 8.111 7.739 0.372 19045 14798 1 19 . 1 1 165 165 HIS N N 165 115.730 115.730 117.726 -1.996 19045 14799 1 19 . 1 1 165 165 HIS HA H 165 4.602 4.602 4.518 0.084 19045 14800 1 19 . 1 1 165 165 HIS CA C 165 54.752 54.752 55.844 -1.092 19045 14801 1 19 . 1 1 165 165 HIS CB C 165 26.766 26.766 30.432 -3.666 19045 14802 1 19 . 1 1 165 165 HIS H H 165 7.789 7.789 7.599 0.190 19045 14803 1 19 . 1 1 166 166 CYS N N 166 109.533 109.533 117.072 -7.539 19045 14804 1 19 . 1 1 166 166 CYS HA H 166 4.274 4.274 4.031 0.243 19045 14805 1 19 . 1 1 166 166 CYS CA C 166 61.452 61.452 59.906 1.546 19045 14806 1 19 . 1 1 166 166 CYS CB C 166 25.215 25.215 26.759 -1.544 19045 14807 1 19 . 1 1 166 166 CYS H H 166 7.761 7.761 8.387 -0.626 19045 14808 1 19 . 1 1 167 167 ILE N N 167 119.980 119.980 119.896 0.084 19045 14809 1 19 . 1 1 167 167 ILE HA H 167 3.563 3.563 3.864 -0.301 19045 14810 1 19 . 1 1 167 167 ILE CA C 167 62.212 62.212 62.720 -0.508 19045 14811 1 19 . 1 1 167 167 ILE CB C 167 35.969 35.969 36.502 -0.533 19045 14812 1 19 . 1 1 167 167 ILE H H 167 7.574 7.574 7.552 0.022 19045 14813 1 19 . 1 1 168 168 ALA N N 168 121.737 121.737 123.074 -1.337 19045 14814 1 19 . 1 1 168 168 ALA HA H 168 3.775 3.775 3.884 -0.109 19045 14815 1 19 . 1 1 168 168 ALA CA C 168 55.082 55.082 55.737 -0.655 19045 14816 1 19 . 1 1 168 168 ALA CB C 168 16.505 16.505 18.313 -1.808 19045 14817 1 19 . 1 1 168 168 ALA H H 168 7.935 7.935 7.597 0.338 19045 14818 1 19 . 1 1 169 169 ARG N N 169 118.369 118.369 117.736 0.633 19045 14819 1 19 . 1 1 169 169 ARG HA H 169 3.550 3.550 3.940 -0.390 19045 14820 1 19 . 1 1 169 169 ARG CA C 169 59.581 59.581 59.161 0.420 19045 14821 1 19 . 1 1 169 169 ARG CB C 169 29.380 29.380 29.597 -0.217 19045 14822 1 19 . 1 1 169 169 ARG H H 169 7.936 7.936 8.459 -0.523 19045 14823 1 19 . 1 1 170 170 TRP N N 170 121.173 121.173 121.807 -0.634 19045 14824 1 19 . 1 1 170 170 TRP HA H 170 3.763 3.763 4.199 -0.436 19045 14825 1 19 . 1 1 170 170 TRP CA C 170 62.080 62.080 61.560 0.520 19045 14826 1 19 . 1 1 170 170 TRP CB C 170 29.423 29.423 28.999 0.424 19045 14827 1 19 . 1 1 170 170 TRP H H 170 7.259 7.259 7.324 -0.065 19045 14828 1 19 . 1 1 171 171 ILE N N 171 117.994 117.994 118.523 -0.529 19045 14829 1 19 . 1 1 171 171 ILE HA H 171 2.864 2.864 3.010 -0.146 19045 14830 1 19 . 1 1 171 171 ILE CA C 171 65.347 65.347 64.713 0.634 19045 14831 1 19 . 1 1 171 171 ILE CB C 171 37.781 37.781 37.483 0.298 19045 14832 1 19 . 1 1 171 171 ILE H H 171 8.074 8.074 8.147 -0.073 19045 14833 1 19 . 1 1 172 172 ALA N N 172 123.588 123.588 120.982 2.606 19045 14834 1 19 . 1 1 172 172 ALA HA H 172 3.506 3.506 3.902 -0.396 19045 14835 1 19 . 1 1 172 172 ALA CA C 172 55.685 55.685 54.781 0.904 19045 14836 1 19 . 1 1 172 172 ALA CB C 172 17.050 17.050 18.304 -1.254 19045 14837 1 19 . 1 1 172 172 ALA H H 172 8.511 8.511 8.015 0.496 19045 14838 1 19 . 1 1 173 173 GLN N N 173 117.382 117.382 116.715 0.667 19045 14839 1 19 . 1 1 173 173 GLN HA H 173 3.854 3.854 3.964 -0.110 19045 14840 1 19 . 1 1 173 173 GLN CA C 173 57.904 57.904 57.758 0.146 19045 14841 1 19 . 1 1 173 173 GLN CB C 173 28.141 28.141 28.582 -0.441 19045 14842 1 19 . 1 1 173 173 GLN H H 173 7.898 7.898 7.559 0.339 19045 14843 1 19 . 1 1 174 174 ARG N N 174 116.800 116.800 115.857 0.943 19045 14844 1 19 . 1 1 174 174 ARG HA H 174 4.097 4.097 4.064 0.033 19045 14845 1 19 . 1 1 174 174 ARG CA C 174 55.395 55.395 55.629 -0.234 19045 14846 1 19 . 1 1 174 174 ARG CB C 174 29.652 29.652 30.094 -0.442 19045 14847 1 19 . 1 1 174 174 ARG H H 174 6.984 6.984 7.397 -0.413 19045 14848 1 19 . 1 1 175 175 GLY N N 175 104.194 104.194 106.046 -1.852 19045 14849 1 19 . 1 1 175 175 GLY CA C 175 44.340 44.340 44.610 -0.270 19045 14850 1 19 . 1 1 175 175 GLY H H 175 7.418 7.418 7.120 0.298 19045 14851 1 19 . 1 1 176 176 GLY N N 176 107.629 107.629 107.563 0.066 19045 14852 1 19 . 1 1 176 176 GLY CA C 176 43.501 43.501 44.916 -1.415 19045 14853 1 19 . 1 1 176 176 GLY H H 176 8.072 8.072 7.637 0.435 19045 14854 1 19 . 1 1 177 177 TRP N N 177 117.887 117.887 121.525 -3.638 19045 14855 1 19 . 1 1 177 177 TRP HA H 177 4.476 4.476 4.760 -0.284 19045 14856 1 19 . 1 1 177 177 TRP CA C 177 61.083 61.083 59.849 1.234 19045 14857 1 19 . 1 1 177 177 TRP CB C 177 30.927 30.927 29.495 1.432 19045 14858 1 19 . 1 1 177 177 TRP H H 177 8.218 8.218 8.861 -0.643 19045 14859 1 19 . 1 1 178 178 VAL N N 178 112.929 112.929 118.286 -5.357 19045 14860 1 19 . 1 1 178 178 VAL HA H 178 3.688 3.688 3.884 -0.196 19045 14861 1 19 . 1 1 178 178 VAL CA C 178 64.680 64.680 64.419 0.261 19045 14862 1 19 . 1 1 178 178 VAL CB C 178 31.057 31.057 31.065 -0.008 19045 14863 1 19 . 1 1 178 178 VAL H H 178 8.284 8.284 7.984 0.300 19045 14864 1 19 . 1 1 179 179 ALA N N 179 125.101 125.101 121.056 4.045 19045 14865 1 19 . 1 1 179 179 ALA HA H 179 4.009 4.009 4.355 -0.346 19045 14866 1 19 . 1 1 179 179 ALA CA C 179 54.344 54.344 53.141 1.203 19045 14867 1 19 . 1 1 179 179 ALA CB C 179 18.555 18.555 18.903 -0.348 19045 14868 1 19 . 1 1 179 179 ALA H H 179 7.670 7.670 7.763 -0.093 19045 14869 1 19 . 1 1 180 180 ALA N N 180 119.081 119.081 122.167 -3.086 19045 14870 1 19 . 1 1 180 180 ALA HA H 180 3.293 3.293 3.636 -0.343 19045 14871 1 19 . 1 1 180 180 ALA CA C 180 52.783 52.783 53.925 -1.142 19045 14872 1 19 . 1 1 180 180 ALA CB C 180 18.113 18.113 19.116 -1.003 19045 14873 1 19 . 1 1 180 180 ALA H H 180 8.058 8.058 7.560 0.498 19045 14874 1 19 . 1 1 181 181 LEU N N 181 114.169 114.169 115.130 -0.961 19045 14875 1 19 . 1 1 181 181 LEU HA H 181 3.911 3.911 4.010 -0.099 19045 14876 1 19 . 1 1 181 181 LEU CA C 181 56.128 56.128 56.780 -0.652 19045 14877 1 19 . 1 1 181 181 LEU CB C 181 40.955 40.955 40.965 -0.010 19045 14878 1 19 . 1 1 181 181 LEU H H 181 7.342 7.342 7.721 -0.379 19045 14879 1 19 . 1 1 182 182 ASN N N 182 115.061 115.061 116.114 -1.053 19045 14880 1 19 . 1 1 182 182 ASN HA H 182 4.743 4.743 4.670 0.073 19045 14881 1 19 . 1 1 182 182 ASN CA C 182 52.508 52.508 53.113 -0.605 19045 14882 1 19 . 1 1 182 182 ASN CB C 182 39.091 39.091 38.165 0.926 19045 14883 1 19 . 1 1 182 182 ASN H H 182 7.289 7.289 8.127 -0.838 19045 14884 1 19 . 1 1 183 183 LEU N N 183 119.889 119.889 119.047 0.842 19045 14885 1 19 . 1 1 183 183 LEU HA H 183 4.125 4.125 4.606 -0.481 19045 14886 1 19 . 1 1 183 183 LEU CA C 183 55.201 55.201 53.852 1.349 19045 14887 1 19 . 1 1 183 183 LEU CB C 183 42.174 42.174 44.678 -2.504 19045 14888 1 19 . 1 1 183 183 LEU H H 183 7.148 7.148 7.598 -0.450 19045 14889 1 19 . 1 1 184 184 GLY N N 184 107.883 107.883 109.831 -1.948 19045 14890 1 19 . 1 1 184 184 GLY CA C 184 45.256 45.256 46.645 -1.389 19045 14891 1 19 . 1 1 184 184 GLY H H 184 8.486 8.486 8.533 -0.047 19045 14892 1 19 . 1 1 185 185 ASN N N 185 118.093 118.093 123.692 -5.599 19045 14893 1 19 . 1 1 185 185 ASN HA H 185 4.755 4.755 4.952 -0.197 19045 14894 1 19 . 1 1 185 185 ASN CA C 185 52.812 52.812 52.437 0.375 19045 14895 1 19 . 1 1 185 185 ASN CB C 185 39.297 39.297 39.356 -0.059 19045 14896 1 19 . 1 1 185 185 ASN H H 185 8.074 8.074 8.474 -0.400 19045 14897 1 20 . 1 1 19 19 LEU N N 19 122.834 122.834 122.855 -0.021 19045 14898 1 20 . 1 1 19 19 LEU HA H 19 4.523 4.523 4.770 -0.247 19045 14899 1 20 . 1 1 19 19 LEU CA C 19 52.690 52.690 53.040 -0.350 19045 14900 1 20 . 1 1 19 19 LEU CB C 19 41.808 41.808 42.038 -0.230 19045 14901 1 20 . 1 1 19 19 LEU H H 19 8.080 8.080 8.014 0.066 19045 14902 1 20 . 1 1 20 20 PRO HA H 20 4.353 4.353 4.544 -0.191 19045 14903 1 20 . 1 1 20 20 PRO CA C 20 62.826 62.826 62.170 0.656 19045 14904 1 20 . 1 1 20 20 PRO CB C 20 31.969 31.969 32.182 -0.213 19045 14905 1 20 . 1 1 21 21 SER N N 21 116.268 116.268 114.910 1.358 19045 14906 1 20 . 1 1 21 21 SER HA H 21 4.249 4.249 4.300 -0.051 19045 14907 1 20 . 1 1 21 21 SER CA C 21 58.338 58.338 59.202 -0.864 19045 14908 1 20 . 1 1 21 21 SER CB C 21 63.856 63.856 63.458 0.398 19045 14909 1 20 . 1 1 21 21 SER H H 21 8.246 8.246 8.140 0.106 19045 14910 1 20 . 1 1 22 22 ALA N N 22 125.246 125.246 127.834 -2.588 19045 14911 1 20 . 1 1 22 22 ALA HA H 22 4.405 4.405 4.606 -0.201 19045 14912 1 20 . 1 1 22 22 ALA CA C 22 52.086 52.086 51.459 0.627 19045 14913 1 20 . 1 1 22 22 ALA CB C 22 19.582 19.582 20.565 -0.983 19045 14914 1 20 . 1 1 22 22 ALA H H 22 8.192 8.192 8.465 -0.273 19045 14915 1 20 . 1 1 23 23 SER N N 23 114.236 114.236 114.384 -0.148 19045 14916 1 20 . 1 1 23 23 SER HA H 23 4.469 4.469 4.665 -0.196 19045 14917 1 20 . 1 1 23 23 SER CA C 23 57.386 57.386 56.807 0.579 19045 14918 1 20 . 1 1 23 23 SER CB C 23 64.582 64.582 65.970 -1.388 19045 14919 1 20 . 1 1 23 23 SER H H 23 8.081 8.081 8.132 -0.051 19045 14920 1 20 . 1 1 24 24 GLU N N 24 124.005 124.005 123.430 0.575 19045 14921 1 20 . 1 1 24 24 GLU HA H 24 3.534 3.534 3.941 -0.407 19045 14922 1 20 . 1 1 24 24 GLU CA C 24 59.772 59.772 60.526 -0.754 19045 14923 1 20 . 1 1 24 24 GLU CB C 24 29.798 29.798 29.518 0.280 19045 14924 1 20 . 1 1 24 24 GLU H H 24 8.702 8.702 9.005 -0.303 19045 14925 1 20 . 1 1 25 25 GLU N N 25 118.390 118.390 116.851 1.539 19045 14926 1 20 . 1 1 25 25 GLU HA H 25 3.796 3.796 3.962 -0.166 19045 14927 1 20 . 1 1 25 25 GLU CA C 25 59.939 59.939 59.486 0.453 19045 14928 1 20 . 1 1 25 25 GLU CB C 25 29.217 29.217 29.057 0.160 19045 14929 1 20 . 1 1 25 25 GLU H H 25 8.559 8.559 8.833 -0.274 19045 14930 1 20 . 1 1 26 26 GLN N N 26 120.776 120.776 118.854 1.922 19045 14931 1 20 . 1 1 26 26 GLN HA H 26 3.916 3.916 4.204 -0.288 19045 14932 1 20 . 1 1 26 26 GLN CA C 26 58.343 58.343 58.365 -0.022 19045 14933 1 20 . 1 1 26 26 GLN CB C 26 28.119 28.119 27.800 0.319 19045 14934 1 20 . 1 1 26 26 GLN H H 26 7.764 7.764 7.695 0.069 19045 14935 1 20 . 1 1 27 27 VAL N N 27 118.723 118.723 122.176 -3.453 19045 14936 1 20 . 1 1 27 27 VAL HA H 27 3.933 3.933 3.801 0.132 19045 14937 1 20 . 1 1 27 27 VAL CA C 27 66.285 66.285 66.685 -0.400 19045 14938 1 20 . 1 1 27 27 VAL CB C 27 31.596 31.596 31.106 0.490 19045 14939 1 20 . 1 1 27 27 VAL H H 27 8.062 8.062 8.268 -0.206 19045 14940 1 20 . 1 1 28 28 ALA N N 28 122.902 122.902 121.524 1.378 19045 14941 1 20 . 1 1 28 28 ALA HA H 28 4.026 4.026 4.006 0.020 19045 14942 1 20 . 1 1 28 28 ALA CA C 28 56.178 56.178 55.322 0.856 19045 14943 1 20 . 1 1 28 28 ALA CB C 28 18.463 18.463 18.204 0.259 19045 14944 1 20 . 1 1 28 28 ALA H H 28 8.412 8.412 8.049 0.363 19045 14945 1 20 . 1 1 29 29 GLN N N 29 117.996 117.996 118.230 -0.234 19045 14946 1 20 . 1 1 29 29 GLN HA H 29 4.084 4.084 3.888 0.196 19045 14947 1 20 . 1 1 29 29 GLN CA C 29 59.063 59.063 59.057 0.006 19045 14948 1 20 . 1 1 29 29 GLN CB C 29 28.452 28.452 28.601 -0.149 19045 14949 1 20 . 1 1 29 29 GLN H H 29 7.900 7.900 7.872 0.028 19045 14950 1 20 . 1 1 30 30 ASP N N 30 121.907 121.907 118.506 3.401 19045 14951 1 20 . 1 1 30 30 ASP HA H 30 4.521 4.521 4.267 0.254 19045 14952 1 20 . 1 1 30 30 ASP CA C 30 57.038 57.038 56.966 0.072 19045 14953 1 20 . 1 1 30 30 ASP CB C 30 41.939 41.939 40.094 1.845 19045 14954 1 20 . 1 1 30 30 ASP H H 30 8.888 8.888 8.239 0.649 19045 14955 1 20 . 1 1 31 31 THR N N 31 114.861 114.861 116.774 -1.913 19045 14956 1 20 . 1 1 31 31 THR HA H 31 3.493 3.493 3.594 -0.101 19045 14957 1 20 . 1 1 31 31 THR CA C 31 66.946 66.946 67.167 -0.221 19045 14958 1 20 . 1 1 31 31 THR CB C 31 68.523 68.523 68.899 -0.376 19045 14959 1 20 . 1 1 31 31 THR H H 31 8.069 8.069 8.190 -0.121 19045 14960 1 20 . 1 1 32 32 GLU N N 32 120.848 120.848 120.814 0.034 19045 14961 1 20 . 1 1 32 32 GLU HA H 32 3.597 3.597 3.971 -0.374 19045 14962 1 20 . 1 1 32 32 GLU CA C 32 60.899 60.899 59.236 1.663 19045 14963 1 20 . 1 1 32 32 GLU CB C 32 28.963 28.963 28.806 0.157 19045 14964 1 20 . 1 1 32 32 GLU H H 32 7.578 7.578 7.811 -0.233 19045 14965 1 20 . 1 1 33 33 GLU N N 33 117.741 117.741 120.013 -2.272 19045 14966 1 20 . 1 1 33 33 GLU HA H 33 3.938 3.938 4.071 -0.133 19045 14967 1 20 . 1 1 33 33 GLU CA C 33 58.768 58.768 58.904 -0.136 19045 14968 1 20 . 1 1 33 33 GLU CB C 33 29.708 29.708 29.469 0.239 19045 14969 1 20 . 1 1 33 33 GLU H H 33 7.446 7.446 7.843 -0.397 19045 14970 1 20 . 1 1 34 34 VAL N N 34 120.239 120.239 119.781 0.458 19045 14971 1 20 . 1 1 34 34 VAL HA H 34 3.108 3.108 3.601 -0.493 19045 14972 1 20 . 1 1 34 34 VAL CA C 34 66.979 66.979 66.318 0.661 19045 14973 1 20 . 1 1 34 34 VAL CB C 34 31.884 31.884 30.887 0.997 19045 14974 1 20 . 1 1 34 34 VAL H H 34 7.792 7.792 8.135 -0.343 19045 14975 1 20 . 1 1 35 35 PHE N N 35 117.559 117.559 120.815 -3.256 19045 14976 1 20 . 1 1 35 35 PHE HA H 35 4.209 4.209 4.063 0.146 19045 14977 1 20 . 1 1 35 35 PHE CA C 35 61.592 61.592 62.144 -0.552 19045 14978 1 20 . 1 1 35 35 PHE CB C 35 39.066 39.066 38.995 0.071 19045 14979 1 20 . 1 1 35 35 PHE H H 35 8.895 8.895 8.300 0.595 19045 14980 1 20 . 1 1 36 36 ARG N N 36 116.705 116.705 119.174 -2.469 19045 14981 1 20 . 1 1 36 36 ARG HA H 36 3.555 3.555 3.977 -0.422 19045 14982 1 20 . 1 1 36 36 ARG CA C 36 59.906 59.906 59.877 0.029 19045 14983 1 20 . 1 1 36 36 ARG CB C 36 29.654 29.654 30.202 -0.548 19045 14984 1 20 . 1 1 36 36 ARG H H 36 8.182 8.182 8.293 -0.111 19045 14985 1 20 . 1 1 37 37 SER N N 37 112.628 112.628 114.888 -2.260 19045 14986 1 20 . 1 1 37 37 SER HA H 37 4.122 4.122 4.262 -0.140 19045 14987 1 20 . 1 1 37 37 SER CA C 37 61.258 61.258 61.357 -0.099 19045 14988 1 20 . 1 1 37 37 SER CB C 37 63.089 63.089 63.136 -0.047 19045 14989 1 20 . 1 1 37 37 SER H H 37 7.845 7.845 8.268 -0.423 19045 14990 1 20 . 1 1 38 38 TYR N N 38 122.458 122.458 124.522 -2.064 19045 14991 1 20 . 1 1 38 38 TYR HA H 38 3.927 3.927 4.009 -0.082 19045 14992 1 20 . 1 1 38 38 TYR CA C 38 62.006 62.006 61.783 0.223 19045 14993 1 20 . 1 1 38 38 TYR CB C 38 38.892 38.892 38.306 0.586 19045 14994 1 20 . 1 1 38 38 TYR H H 38 8.793 8.793 8.077 0.716 19045 14995 1 20 . 1 1 39 39 VAL N N 39 115.951 115.951 118.941 -2.990 19045 14996 1 20 . 1 1 39 39 VAL HA H 39 3.209 3.209 2.883 0.326 19045 14997 1 20 . 1 1 39 39 VAL CA C 39 65.982 65.982 65.239 0.743 19045 14998 1 20 . 1 1 39 39 VAL CB C 39 30.884 30.884 31.025 -0.141 19045 14999 1 20 . 1 1 39 39 VAL H H 39 8.348 8.348 7.782 0.566 19045 15000 1 20 . 1 1 40 40 PHE N N 40 119.608 119.608 120.899 -1.291 19045 15001 1 20 . 1 1 40 40 PHE HA H 40 3.915 3.915 4.062 -0.147 19045 15002 1 20 . 1 1 40 40 PHE CA C 40 61.651 61.651 61.263 0.388 19045 15003 1 20 . 1 1 40 40 PHE CB C 40 39.411 39.411 39.003 0.408 19045 15004 1 20 . 1 1 40 40 PHE H H 40 7.596 7.596 8.117 -0.521 19045 15005 1 20 . 1 1 41 41 TYR N N 41 117.686 117.686 119.261 -1.575 19045 15006 1 20 . 1 1 41 41 TYR HA H 41 3.818 3.818 3.915 -0.097 19045 15007 1 20 . 1 1 41 41 TYR CA C 41 63.446 63.446 60.736 2.711 19045 15008 1 20 . 1 1 41 41 TYR CB C 41 37.528 37.528 38.131 -0.603 19045 15009 1 20 . 1 1 41 41 TYR H H 41 8.578 8.578 8.199 0.379 19045 15010 1 20 . 1 1 42 42 ARG N N 42 121.382 121.382 118.699 2.683 19045 15011 1 20 . 1 1 42 42 ARG HA H 42 3.581 3.581 3.809 -0.228 19045 15012 1 20 . 1 1 42 42 ARG CA C 42 57.999 57.999 59.395 -1.396 19045 15013 1 20 . 1 1 42 42 ARG CB C 42 26.992 26.992 29.640 -2.648 19045 15014 1 20 . 1 1 42 42 ARG H H 42 8.784 8.784 7.894 0.890 19045 15015 1 20 . 1 1 43 43 HIS N N 43 118.684 118.684 119.839 -1.155 19045 15016 1 20 . 1 1 43 43 HIS HA H 43 4.291 4.291 4.507 -0.216 19045 15017 1 20 . 1 1 43 43 HIS CA C 43 60.041 60.041 57.233 2.808 19045 15018 1 20 . 1 1 43 43 HIS CB C 43 27.938 27.938 29.231 -1.293 19045 15019 1 20 . 1 1 43 43 HIS H H 43 8.268 8.268 8.160 0.108 19045 15020 1 20 . 1 1 44 44 GLN N N 44 117.841 117.841 118.974 -1.133 19045 15021 1 20 . 1 1 44 44 GLN HA H 44 3.638 3.638 3.748 -0.110 19045 15022 1 20 . 1 1 44 44 GLN CA C 44 58.681 58.681 59.343 -0.662 19045 15023 1 20 . 1 1 44 44 GLN CB C 44 28.977 28.977 28.259 0.718 19045 15024 1 20 . 1 1 44 44 GLN H H 44 7.722 7.722 7.799 -0.077 19045 15025 1 20 . 1 1 45 45 GLN N N 45 117.756 117.756 116.598 1.158 19045 15026 1 20 . 1 1 45 45 GLN HA H 45 3.932 3.932 3.969 -0.037 19045 15027 1 20 . 1 1 45 45 GLN CA C 45 57.923 57.923 58.397 -0.474 19045 15028 1 20 . 1 1 45 45 GLN CB C 45 28.039 28.039 28.494 -0.455 19045 15029 1 20 . 1 1 45 45 GLN H H 45 7.808 7.808 7.566 0.242 19045 15030 1 20 . 1 1 46 46 GLU N N 46 119.876 119.876 119.109 0.767 19045 15031 1 20 . 1 1 46 46 GLU HA H 46 3.951 3.951 4.057 -0.106 19045 15032 1 20 . 1 1 46 46 GLU CA C 46 58.956 58.956 58.718 0.238 19045 15033 1 20 . 1 1 46 46 GLU CB C 46 29.166 29.166 29.376 -0.210 19045 15034 1 20 . 1 1 46 46 GLU H H 46 7.781 7.781 7.465 0.316 19045 15035 1 20 . 1 1 47 47 GLN N N 47 118.282 118.282 117.604 0.678 19045 15036 1 20 . 1 1 47 47 GLN HA H 47 3.800 3.800 4.185 -0.385 19045 15037 1 20 . 1 1 47 47 GLN CA C 47 57.892 57.892 58.037 -0.145 19045 15038 1 20 . 1 1 47 47 GLN CB C 47 28.662 28.662 28.282 0.380 19045 15039 1 20 . 1 1 47 47 GLN H H 47 7.775 7.775 7.700 0.075 19045 15040 1 20 . 1 1 48 48 GLU N N 48 118.519 118.519 115.666 2.853 19045 15041 1 20 . 1 1 48 48 GLU HA H 48 4.009 4.009 4.091 -0.082 19045 15042 1 20 . 1 1 48 48 GLU CA C 48 57.586 57.586 58.012 -0.426 19045 15043 1 20 . 1 1 48 48 GLU CB C 48 28.922 28.922 29.099 -0.177 19045 15044 1 20 . 1 1 48 48 GLU H H 48 7.721 7.721 7.819 -0.098 19045 15045 1 20 . 1 1 49 49 ALA N N 49 121.657 121.657 121.351 0.306 19045 15046 1 20 . 1 1 49 49 ALA HA H 49 4.140 4.140 4.282 -0.142 19045 15047 1 20 . 1 1 49 49 ALA CA C 49 53.389 53.389 53.298 0.091 19045 15048 1 20 . 1 1 49 49 ALA CB C 49 19.111 19.111 20.103 -0.992 19045 15049 1 20 . 1 1 49 49 ALA H H 49 7.675 7.675 7.685 -0.010 19045 15050 1 20 . 1 1 50 50 GLU N N 50 116.803 116.803 114.507 2.296 19045 15051 1 20 . 1 1 50 50 GLU HA H 50 4.182 4.182 4.488 -0.306 19045 15052 1 20 . 1 1 50 50 GLU CA C 50 56.420 56.420 55.234 1.186 19045 15053 1 20 . 1 1 50 50 GLU CB C 50 29.798 29.798 33.387 -3.589 19045 15054 1 20 . 1 1 50 50 GLU H H 50 8.106 8.106 8.193 -0.087 19045 15055 1 20 . 1 1 51 51 GLY N N 51 109.812 109.812 107.808 2.004 19045 15056 1 20 . 1 1 51 51 GLY CA C 51 45.739 45.739 45.218 0.521 19045 15057 1 20 . 1 1 51 51 GLY H H 51 8.060 8.060 8.528 -0.468 19045 15058 1 20 . 1 1 52 52 VAL N N 52 118.668 118.668 115.662 3.006 19045 15059 1 20 . 1 1 52 52 VAL HA H 52 4.001 4.001 4.410 -0.409 19045 15060 1 20 . 1 1 52 52 VAL CA C 52 62.175 62.175 61.128 1.047 19045 15061 1 20 . 1 1 52 52 VAL CB C 52 32.294 32.294 33.380 -1.086 19045 15062 1 20 . 1 1 52 52 VAL H H 52 7.718 7.718 7.329 0.389 19045 15063 1 20 . 1 1 53 53 ALA N N 53 125.624 125.624 124.054 1.570 19045 15064 1 20 . 1 1 53 53 ALA HA H 53 4.220 4.220 3.983 0.237 19045 15065 1 20 . 1 1 53 53 ALA CA C 53 51.869 51.869 52.335 -0.466 19045 15066 1 20 . 1 1 53 53 ALA CB C 53 19.065 19.065 17.867 1.198 19045 15067 1 20 . 1 1 53 53 ALA H H 53 8.073 8.073 8.644 -0.571 19045 15068 1 20 . 1 1 54 54 ALA N N 54 123.638 123.638 121.549 2.089 19045 15069 1 20 . 1 1 54 54 ALA HA H 54 4.472 4.472 4.521 -0.049 19045 15070 1 20 . 1 1 54 54 ALA CA C 54 49.869 49.869 50.103 -0.235 19045 15071 1 20 . 1 1 54 54 ALA CB C 54 18.488 18.488 19.399 -0.911 19045 15072 1 20 . 1 1 54 54 ALA H H 54 7.718 7.718 7.968 -0.250 19045 15073 1 20 . 1 1 55 55 PRO HA H 55 4.292 4.292 4.794 -0.502 19045 15074 1 20 . 1 1 55 55 PRO CA C 55 62.966 62.966 62.790 0.176 19045 15075 1 20 . 1 1 55 55 PRO CB C 55 31.754 31.754 32.781 -1.026 19045 15076 1 20 . 1 1 56 56 ALA N N 56 124.218 124.218 124.923 -0.705 19045 15077 1 20 . 1 1 56 56 ALA HA H 56 4.220 4.220 4.440 -0.220 19045 15078 1 20 . 1 1 56 56 ALA CB C 56 19.119 19.119 20.538 -1.419 19045 15079 1 20 . 1 1 56 56 ALA H H 56 8.259 8.259 8.293 -0.034 19045 15080 1 20 . 1 1 57 57 ASP N N 57 120.884 120.884 122.000 -1.116 19045 15081 1 20 . 1 1 57 57 ASP HA H 57 4.572 4.572 5.010 -0.438 19045 15082 1 20 . 1 1 57 57 ASP CA C 57 52.742 52.742 52.900 -0.158 19045 15083 1 20 . 1 1 57 57 ASP CB C 57 41.642 41.642 43.190 -1.548 19045 15084 1 20 . 1 1 57 57 ASP H H 57 7.829 7.829 8.308 -0.479 19045 15085 1 20 . 1 1 58 58 PRO HA H 58 4.052 4.052 4.549 -0.497 19045 15086 1 20 . 1 1 58 58 PRO CA C 58 64.128 64.128 63.397 0.731 19045 15087 1 20 . 1 1 58 58 PRO CB C 58 31.989 31.989 32.843 -0.854 19045 15088 1 20 . 1 1 59 59 GLU HA H 59 4.549 4.549 4.331 0.218 19045 15089 1 20 . 1 1 59 59 GLU CA C 59 54.266 54.266 56.445 -2.179 19045 15090 1 20 . 1 1 59 59 GLU CB C 59 29.285 29.285 32.783 -3.498 19045 15091 1 20 . 1 1 60 60 MET HA H 60 3.846 3.846 4.415 -0.569 19045 15092 1 20 . 1 1 60 60 MET CA C 60 57.219 57.219 57.686 -0.467 19045 15093 1 20 . 1 1 60 60 MET CB C 60 31.894 31.894 32.773 -0.879 19045 15094 1 20 . 1 1 60 60 MET H H 60 7.070 7.070 8.769 -1.699 19045 15095 1 20 . 1 1 61 61 VAL N N 61 113.014 113.014 115.695 -2.681 19045 15096 1 20 . 1 1 61 61 VAL HA H 61 4.051 4.051 4.086 -0.035 19045 15097 1 20 . 1 1 61 61 VAL CA C 61 62.799 62.799 63.392 -0.593 19045 15098 1 20 . 1 1 61 61 VAL CB C 61 31.993 31.993 32.606 -0.613 19045 15099 1 20 . 1 1 61 61 VAL H H 61 6.833 6.833 8.349 -1.516 19045 15100 1 20 . 1 1 62 62 THR N N 62 110.188 110.188 111.715 -1.527 19045 15101 1 20 . 1 1 62 62 THR HA H 62 4.230 4.230 3.978 0.252 19045 15102 1 20 . 1 1 62 62 THR CA C 62 60.947 60.947 65.468 -4.521 19045 15103 1 20 . 1 1 62 62 THR CB C 62 69.192 69.192 67.882 1.310 19045 15104 1 20 . 1 1 62 62 THR H H 62 7.101 7.101 8.017 -0.916 19045 15105 1 20 . 1 1 63 63 LEU N N 63 125.158 125.158 124.071 1.087 19045 15106 1 20 . 1 1 63 63 LEU HA H 63 4.205 4.205 4.874 -0.669 19045 15107 1 20 . 1 1 63 63 LEU CA C 63 52.688 52.688 51.477 1.211 19045 15108 1 20 . 1 1 63 63 LEU CB C 63 42.252 42.252 42.953 -0.701 19045 15109 1 20 . 1 1 63 63 LEU H H 63 7.079 7.079 8.094 -1.015 19045 15110 1 20 . 1 1 64 64 PRO HA H 64 4.282 4.282 4.433 -0.151 19045 15111 1 20 . 1 1 64 64 PRO CA C 64 62.613 62.613 62.538 0.075 19045 15112 1 20 . 1 1 64 64 PRO CB C 64 30.705 30.705 29.982 0.723 19045 15113 1 20 . 1 1 65 65 LEU N N 65 122.384 122.384 122.856 -0.472 19045 15114 1 20 . 1 1 65 65 LEU HA H 65 4.234 4.234 4.323 -0.089 19045 15115 1 20 . 1 1 65 65 LEU CA C 65 54.499 54.499 55.019 -0.520 19045 15116 1 20 . 1 1 65 65 LEU CB C 65 43.438 43.438 43.577 -0.139 19045 15117 1 20 . 1 1 65 65 LEU H H 65 7.653 7.653 7.716 -0.063 19045 15118 1 20 . 1 1 66 66 GLN N N 66 121.802 121.802 121.368 0.434 19045 15119 1 20 . 1 1 66 66 GLN HA H 66 4.209 4.209 4.740 -0.531 19045 15120 1 20 . 1 1 66 66 GLN CA C 66 52.783 52.783 52.808 -0.025 19045 15121 1 20 . 1 1 66 66 GLN CB C 66 28.136 28.136 28.497 -0.361 19045 15122 1 20 . 1 1 66 66 GLN H H 66 8.634 8.634 8.631 0.003 19045 15123 1 20 . 1 1 67 67 PRO HA H 67 4.139 4.139 4.453 -0.314 19045 15124 1 20 . 1 1 67 67 PRO CA C 67 64.488 64.488 63.774 0.714 19045 15125 1 20 . 1 1 67 67 PRO CB C 67 32.003 32.003 31.968 0.035 19045 15126 1 20 . 1 1 68 68 SER N N 68 111.024 111.024 112.376 -1.352 19045 15127 1 20 . 1 1 68 68 SER HA H 68 4.313 4.313 4.547 -0.234 19045 15128 1 20 . 1 1 68 68 SER CA C 68 57.991 57.991 58.090 -0.099 19045 15129 1 20 . 1 1 68 68 SER CB C 68 63.252 63.252 63.253 -0.001 19045 15130 1 20 . 1 1 68 68 SER H H 68 8.119 8.119 8.210 -0.091 19045 15131 1 20 . 1 1 69 69 SER N N 69 117.598 117.598 117.284 0.314 19045 15132 1 20 . 1 1 69 69 SER HA H 69 4.440 4.440 4.785 -0.345 19045 15133 1 20 . 1 1 69 69 SER CA C 69 57.518 57.518 57.427 0.091 19045 15134 1 20 . 1 1 69 69 SER CB C 69 64.587 64.587 64.825 -0.238 19045 15135 1 20 . 1 1 69 69 SER H H 69 7.723 7.723 7.590 0.133 19045 15136 1 20 . 1 1 70 70 THR N N 70 121.887 121.887 117.067 4.820 19045 15137 1 20 . 1 1 70 70 THR HA H 70 3.873 3.873 4.017 -0.144 19045 15138 1 20 . 1 1 70 70 THR CA C 70 66.723 66.723 65.818 0.905 19045 15139 1 20 . 1 1 70 70 THR CB C 70 68.385 68.385 68.801 -0.416 19045 15140 1 20 . 1 1 70 70 THR H H 70 8.827 8.827 8.827 -0.000 19045 15141 1 20 . 1 1 71 71 MET N N 71 117.344 117.344 120.657 -3.313 19045 15142 1 20 . 1 1 71 71 MET HA H 71 4.469 4.469 4.086 0.383 19045 15143 1 20 . 1 1 71 71 MET CA C 71 56.260 56.260 59.466 -3.206 19045 15144 1 20 . 1 1 71 71 MET CB C 71 31.696 31.696 31.689 0.007 19045 15145 1 20 . 1 1 71 71 MET H H 71 8.454 8.454 8.020 0.434 19045 15146 1 20 . 1 1 72 72 GLY N N 72 108.884 108.884 103.574 5.310 19045 15147 1 20 . 1 1 72 72 GLY CA C 72 46.884 46.884 46.786 0.098 19045 15148 1 20 . 1 1 72 72 GLY H H 72 7.979 7.979 7.855 0.124 19045 15149 1 20 . 1 1 73 73 GLN N N 73 121.522 121.522 120.643 0.879 19045 15150 1 20 . 1 1 73 73 GLN HA H 73 3.857 3.857 4.267 -0.410 19045 15151 1 20 . 1 1 73 73 GLN CA C 73 58.220 58.220 57.539 0.681 19045 15152 1 20 . 1 1 73 73 GLN CB C 73 28.309 28.309 28.166 0.143 19045 15153 1 20 . 1 1 73 73 GLN H H 73 7.859 7.859 7.558 0.301 19045 15154 1 20 . 1 1 74 74 VAL N N 74 121.291 121.291 120.218 1.073 19045 15155 1 20 . 1 1 74 74 VAL HA H 74 3.359 3.359 3.662 -0.303 19045 15156 1 20 . 1 1 74 74 VAL CA C 74 67.150 67.150 66.984 0.167 19045 15157 1 20 . 1 1 74 74 VAL CB C 74 31.249 31.249 31.101 0.148 19045 15158 1 20 . 1 1 74 74 VAL H H 74 8.155 8.155 7.776 0.379 19045 15159 1 20 . 1 1 75 75 GLY N N 75 105.037 105.037 106.022 -0.985 19045 15160 1 20 . 1 1 75 75 GLY CA C 75 48.385 48.385 47.155 1.230 19045 15161 1 20 . 1 1 75 75 GLY H H 75 8.154 8.154 7.733 0.421 19045 15162 1 20 . 1 1 76 76 ARG N N 76 119.292 119.292 121.379 -2.087 19045 15163 1 20 . 1 1 76 76 ARG HA H 76 3.320 3.320 4.085 -0.765 19045 15164 1 20 . 1 1 76 76 ARG CA C 76 59.540 59.540 59.636 -0.096 19045 15165 1 20 . 1 1 76 76 ARG CB C 76 30.130 30.130 30.240 -0.110 19045 15166 1 20 . 1 1 76 76 ARG H H 76 7.512 7.512 7.367 0.145 19045 15167 1 20 . 1 1 77 77 GLN N N 77 118.008 118.008 119.030 -1.022 19045 15168 1 20 . 1 1 77 77 GLN HA H 77 3.951 3.951 4.114 -0.163 19045 15169 1 20 . 1 1 77 77 GLN CA C 77 58.337 58.337 58.733 -0.395 19045 15170 1 20 . 1 1 77 77 GLN CB C 77 27.512 27.512 28.252 -0.740 19045 15171 1 20 . 1 1 77 77 GLN H H 77 7.852 7.852 7.569 0.283 19045 15172 1 20 . 1 1 78 78 LEU N N 78 116.018 116.018 119.902 -3.884 19045 15173 1 20 . 1 1 78 78 LEU HA H 78 4.078 4.078 3.948 0.130 19045 15174 1 20 . 1 1 78 78 LEU CA C 78 57.391 57.391 58.136 -0.746 19045 15175 1 20 . 1 1 78 78 LEU CB C 78 40.999 40.999 41.695 -0.696 19045 15176 1 20 . 1 1 78 78 LEU H H 78 8.412 8.412 8.348 0.064 19045 15177 1 20 . 1 1 79 79 ALA N N 79 120.914 120.914 120.198 0.716 19045 15178 1 20 . 1 1 79 79 ALA HA H 79 3.896 3.896 4.053 -0.157 19045 15179 1 20 . 1 1 79 79 ALA CA C 79 54.789 54.789 54.812 -0.023 19045 15180 1 20 . 1 1 79 79 ALA CB C 79 17.880 17.880 18.281 -0.401 19045 15181 1 20 . 1 1 79 79 ALA H H 79 7.789 7.789 8.397 -0.608 19045 15182 1 20 . 1 1 80 80 ILE N N 80 117.984 117.984 118.505 -0.521 19045 15183 1 20 . 1 1 80 80 ILE HA H 80 3.895 3.895 3.787 0.108 19045 15184 1 20 . 1 1 80 80 ILE CA C 80 63.576 63.576 64.939 -1.363 19045 15185 1 20 . 1 1 80 80 ILE CB C 80 38.607 38.607 38.466 0.141 19045 15186 1 20 . 1 1 80 80 ILE H H 80 7.690 7.690 7.511 0.179 19045 15187 1 20 . 1 1 81 81 ILE HA H 81 3.984 3.984 3.980 0.004 19045 15188 1 20 . 1 1 81 81 ILE CA C 81 63.608 63.608 63.999 -0.391 19045 15189 1 20 . 1 1 81 81 ILE CB C 81 37.587 37.587 37.525 0.062 19045 15190 1 20 . 1 1 81 81 ILE H H 81 7.910 7.910 8.050 -0.140 19045 15191 1 20 . 1 1 82 82 GLY CA C 82 45.566 45.566 45.093 0.473 19045 15192 1 20 . 1 1 82 82 GLY H H 82 7.765 7.765 8.297 -0.532 19045 15193 1 20 . 1 1 83 83 ASP N N 83 119.914 119.914 123.170 -3.256 19045 15194 1 20 . 1 1 83 83 ASP HA H 83 4.332 4.332 4.360 -0.028 19045 15195 1 20 . 1 1 83 83 ASP CA C 83 58.161 58.161 58.148 0.013 19045 15196 1 20 . 1 1 83 83 ASP CB C 83 41.771 41.771 40.940 0.831 19045 15197 1 20 . 1 1 83 83 ASP H H 83 7.400 7.400 7.607 -0.207 19045 15198 1 20 . 1 1 84 84 ASP N N 84 116.566 116.566 119.104 -2.538 19045 15199 1 20 . 1 1 84 84 ASP HA H 84 4.200 4.200 4.427 -0.227 19045 15200 1 20 . 1 1 84 84 ASP CA C 84 57.270 57.270 57.652 -0.382 19045 15201 1 20 . 1 1 84 84 ASP CB C 84 40.593 40.593 40.848 -0.255 19045 15202 1 20 . 1 1 84 84 ASP H H 84 8.523 8.523 8.059 0.464 19045 15203 1 20 . 1 1 85 85 ILE N N 85 120.454 120.454 119.131 1.323 19045 15204 1 20 . 1 1 85 85 ILE HA H 85 3.753 3.753 3.851 -0.098 19045 15205 1 20 . 1 1 85 85 ILE CA C 85 63.782 63.782 64.674 -0.892 19045 15206 1 20 . 1 1 85 85 ILE CB C 85 37.546 37.546 37.122 0.424 19045 15207 1 20 . 1 1 85 85 ILE H H 85 7.707 7.707 8.194 -0.487 19045 15208 1 20 . 1 1 86 86 ASN N N 86 118.583 118.583 118.962 -0.379 19045 15209 1 20 . 1 1 86 86 ASN HA H 86 4.472 4.472 4.549 -0.077 19045 15210 1 20 . 1 1 86 86 ASN CA C 86 56.087 56.087 56.215 -0.128 19045 15211 1 20 . 1 1 86 86 ASN CB C 86 37.614 37.614 38.138 -0.524 19045 15212 1 20 . 1 1 86 86 ASN H H 86 8.440 8.440 8.342 0.098 19045 15213 1 20 . 1 1 87 87 ARG N N 87 117.819 117.819 119.715 -1.896 19045 15214 1 20 . 1 1 87 87 ARG HA H 87 4.043 4.043 3.993 0.050 19045 15215 1 20 . 1 1 87 87 ARG CA C 87 59.035 59.035 58.788 0.247 19045 15216 1 20 . 1 1 87 87 ARG CB C 87 29.845 29.845 29.695 0.150 19045 15217 1 20 . 1 1 87 87 ARG H H 87 8.214 8.214 7.994 0.220 19045 15218 1 20 . 1 1 88 88 ARG N N 88 117.971 117.971 118.094 -0.123 19045 15219 1 20 . 1 1 88 88 ARG HA H 88 3.965 3.965 3.978 -0.013 19045 15220 1 20 . 1 1 88 88 ARG CA C 88 58.161 58.161 58.983 -0.822 19045 15221 1 20 . 1 1 88 88 ARG CB C 88 30.376 30.376 30.680 -0.304 19045 15222 1 20 . 1 1 88 88 ARG H H 88 7.438 7.438 7.998 -0.560 19045 15223 1 20 . 1 1 89 89 TYR N N 89 114.591 114.591 114.192 0.399 19045 15224 1 20 . 1 1 89 89 TYR HA H 89 4.753 4.753 4.630 0.123 19045 15225 1 20 . 1 1 89 89 TYR CA C 89 59.481 59.481 59.486 -0.005 19045 15226 1 20 . 1 1 89 89 TYR CB C 89 39.610 39.610 39.684 -0.074 19045 15227 1 20 . 1 1 89 89 TYR H H 89 7.635 7.635 8.175 -0.540 19045 15228 1 20 . 1 1 90 90 ASP HA H 90 4.820 4.820 4.267 0.553 19045 15229 1 20 . 1 1 90 90 ASP CA C 90 58.200 58.200 56.904 1.296 19045 15230 1 20 . 1 1 90 90 ASP CB C 90 41.407 41.407 40.614 0.793 19045 15231 1 20 . 1 1 90 90 ASP H H 90 8.282 8.282 7.995 0.287 19045 15232 1 20 . 1 1 91 91 SER N N 91 115.266 115.266 114.930 0.336 19045 15233 1 20 . 1 1 91 91 SER HA H 91 4.170 4.170 4.211 -0.041 19045 15234 1 20 . 1 1 91 91 SER CA C 91 61.780 61.780 61.700 0.080 19045 15235 1 20 . 1 1 91 91 SER CB C 91 61.891 61.891 63.063 -1.172 19045 15236 1 20 . 1 1 91 91 SER H H 91 8.717 8.717 8.350 0.367 19045 15237 1 20 . 1 1 92 92 GLU N N 92 122.093 122.093 121.887 0.206 19045 15238 1 20 . 1 1 92 92 GLU HA H 92 4.056 4.056 4.139 -0.083 19045 15239 1 20 . 1 1 92 92 GLU CA C 92 58.928 58.928 58.595 0.333 19045 15240 1 20 . 1 1 92 92 GLU CB C 92 29.796 29.796 29.181 0.615 19045 15241 1 20 . 1 1 92 92 GLU H H 92 8.025 8.025 7.925 0.100 19045 15242 1 20 . 1 1 93 93 PHE HA H 93 4.171 4.171 4.078 0.093 19045 15243 1 20 . 1 1 93 93 PHE CA C 93 60.704 60.704 61.263 -0.559 19045 15244 1 20 . 1 1 93 93 PHE CB C 93 38.780 38.780 39.181 -0.401 19045 15245 1 20 . 1 1 93 93 PHE H H 93 7.801 7.801 7.826 -0.025 19045 15246 1 20 . 1 1 94 94 GLN N N 94 118.578 118.578 118.337 0.241 19045 15247 1 20 . 1 1 94 94 GLN HA H 94 3.847 3.847 3.816 0.031 19045 15248 1 20 . 1 1 94 94 GLN CA C 94 59.981 59.981 59.279 0.702 19045 15249 1 20 . 1 1 94 94 GLN CB C 94 28.415 28.415 28.459 -0.044 19045 15250 1 20 . 1 1 94 94 GLN H H 94 8.609 8.609 8.040 0.569 19045 15251 1 20 . 1 1 95 95 THR N N 95 116.128 116.128 116.519 -0.391 19045 15252 1 20 . 1 1 95 95 THR HA H 95 3.811 3.811 3.899 -0.088 19045 15253 1 20 . 1 1 95 95 THR CA C 95 66.391 66.391 66.094 0.298 19045 15254 1 20 . 1 1 95 95 THR CB C 95 68.361 68.361 68.719 -0.358 19045 15255 1 20 . 1 1 95 95 THR H H 95 7.826 7.826 7.775 0.051 19045 15256 1 20 . 1 1 96 96 MET N N 96 120.474 120.474 118.201 2.273 19045 15257 1 20 . 1 1 96 96 MET HA H 96 3.933 3.933 3.466 0.467 19045 15258 1 20 . 1 1 96 96 MET CA C 96 59.949 59.949 58.020 1.929 19045 15259 1 20 . 1 1 96 96 MET CB C 96 33.087 33.087 32.031 1.056 19045 15260 1 20 . 1 1 96 96 MET H H 96 7.728 7.728 7.280 0.448 19045 15261 1 20 . 1 1 97 97 LEU N N 97 118.904 118.904 120.746 -1.842 19045 15262 1 20 . 1 1 97 97 LEU HA H 97 3.604 3.604 3.746 -0.142 19045 15263 1 20 . 1 1 97 97 LEU CA C 97 57.771 57.771 57.690 0.081 19045 15264 1 20 . 1 1 97 97 LEU CB C 97 40.836 40.836 40.474 0.362 19045 15265 1 20 . 1 1 97 97 LEU H H 97 8.112 8.112 7.732 0.380 19045 15266 1 20 . 1 1 98 98 GLN N N 98 116.798 116.798 116.527 0.271 19045 15267 1 20 . 1 1 98 98 GLN HA H 98 4.003 4.003 4.020 -0.017 19045 15268 1 20 . 1 1 98 98 GLN CA C 98 58.337 58.337 58.145 0.192 19045 15269 1 20 . 1 1 98 98 GLN CB C 98 27.659 27.659 28.666 -1.007 19045 15270 1 20 . 1 1 98 98 GLN H H 98 7.754 7.754 7.742 0.012 19045 15271 1 20 . 1 1 99 99 HIS N N 99 115.943 115.943 117.048 -1.105 19045 15272 1 20 . 1 1 99 99 HIS HA H 99 4.442 4.442 4.357 0.085 19045 15273 1 20 . 1 1 99 99 HIS CA C 99 57.025 57.025 57.340 -0.315 19045 15274 1 20 . 1 1 99 99 HIS CB C 99 28.848 28.848 29.935 -1.087 19045 15275 1 20 . 1 1 99 99 HIS H H 99 7.504 7.504 7.474 0.030 19045 15276 1 20 . 1 1 100 100 LEU N N 100 121.347 121.347 119.821 1.526 19045 15277 1 20 . 1 1 100 100 LEU HA H 100 3.803 3.803 3.943 -0.140 19045 15278 1 20 . 1 1 100 100 LEU CA C 100 56.801 56.801 56.968 -0.167 19045 15279 1 20 . 1 1 100 100 LEU CB C 100 42.563 42.563 42.629 -0.066 19045 15280 1 20 . 1 1 100 100 LEU H H 100 8.013 8.013 7.577 0.436 19045 15281 1 20 . 1 1 101 101 GLN N N 101 110.029 110.029 114.813 -4.784 19045 15282 1 20 . 1 1 101 101 GLN HA H 101 4.003 4.003 4.137 -0.134 19045 15283 1 20 . 1 1 101 101 GLN CA C 101 55.685 55.685 55.670 0.015 19045 15284 1 20 . 1 1 101 101 GLN CB C 101 27.301 27.301 26.869 0.432 19045 15285 1 20 . 1 1 101 101 GLN H H 101 7.763 7.763 7.744 0.019 19045 15286 1 20 . 1 1 102 102 PRO HA H 102 4.926 4.926 4.196 0.730 19045 15287 1 20 . 1 1 102 102 PRO CA C 102 62.372 62.372 62.757 -0.385 19045 15288 1 20 . 1 1 102 102 PRO CB C 102 31.963 31.963 32.502 -0.539 19045 15289 1 20 . 1 1 103 103 THR N N 103 114.119 114.119 106.539 7.580 19045 15290 1 20 . 1 1 103 103 THR HA H 103 4.420 4.420 4.526 -0.106 19045 15291 1 20 . 1 1 103 103 THR CA C 103 58.716 58.716 59.348 -0.632 19045 15292 1 20 . 1 1 103 103 THR CB C 103 72.929 72.929 72.088 0.841 19045 15293 1 20 . 1 1 103 103 THR H H 103 9.386 9.386 8.060 1.326 19045 15294 1 20 . 1 1 104 104 ALA N N 104 120.374 120.374 121.969 -1.595 19045 15295 1 20 . 1 1 104 104 ALA HA H 104 3.737 3.737 4.043 -0.306 19045 15296 1 20 . 1 1 104 104 ALA CA C 104 54.782 54.782 54.513 0.269 19045 15297 1 20 . 1 1 104 104 ALA CB C 104 18.050 18.050 17.954 0.096 19045 15298 1 20 . 1 1 104 104 ALA H H 104 8.723 8.723 8.411 0.312 19045 15299 1 20 . 1 1 105 105 GLU N N 105 113.834 113.834 115.789 -1.955 19045 15300 1 20 . 1 1 105 105 GLU HA H 105 4.122 4.122 4.264 -0.142 19045 15301 1 20 . 1 1 105 105 GLU CA C 105 58.707 58.707 58.848 -0.141 19045 15302 1 20 . 1 1 105 105 GLU CB C 105 29.445 29.445 29.326 0.119 19045 15303 1 20 . 1 1 105 105 GLU H H 105 7.969 7.969 8.383 -0.414 19045 15304 1 20 . 1 1 106 106 ASN N N 106 114.135 114.135 117.693 -3.558 19045 15305 1 20 . 1 1 106 106 ASN HA H 106 4.781 4.781 4.342 0.439 19045 15306 1 20 . 1 1 106 106 ASN CA C 106 52.222 52.222 52.742 -0.520 19045 15307 1 20 . 1 1 106 106 ASN CB C 106 38.983 38.983 38.864 0.119 19045 15308 1 20 . 1 1 106 106 ASN H H 106 7.151 7.151 7.832 -0.681 19045 15309 1 20 . 1 1 107 107 ALA N N 107 121.280 121.280 123.362 -2.082 19045 15310 1 20 . 1 1 107 107 ALA HA H 107 3.858 3.858 4.065 -0.207 19045 15311 1 20 . 1 1 107 107 ALA CA C 107 56.988 56.988 55.619 1.369 19045 15312 1 20 . 1 1 107 107 ALA CB C 107 18.278 18.278 18.718 -0.440 19045 15313 1 20 . 1 1 107 107 ALA H H 107 7.940 7.940 8.039 -0.099 19045 15314 1 20 . 1 1 108 108 TYR N N 108 117.339 117.339 115.802 1.537 19045 15315 1 20 . 1 1 108 108 TYR HA H 108 3.048 3.048 3.965 -0.917 19045 15316 1 20 . 1 1 108 108 TYR CA C 108 60.578 60.578 60.207 0.371 19045 15317 1 20 . 1 1 108 108 TYR CB C 108 36.804 36.804 36.950 -0.146 19045 15318 1 20 . 1 1 108 108 TYR H H 108 8.783 8.783 8.013 0.770 19045 15319 1 20 . 1 1 109 109 GLU N N 109 123.316 123.316 120.799 2.517 19045 15320 1 20 . 1 1 109 109 GLU HA H 109 3.681 3.681 3.746 -0.065 19045 15321 1 20 . 1 1 109 109 GLU CA C 109 59.152 59.152 58.709 0.443 19045 15322 1 20 . 1 1 109 109 GLU CB C 109 28.782 28.782 28.552 0.230 19045 15323 1 20 . 1 1 109 109 GLU H H 109 8.084 8.084 7.547 0.537 19045 15324 1 20 . 1 1 110 110 TYR N N 110 117.254 117.254 117.160 0.094 19045 15325 1 20 . 1 1 110 110 TYR HA H 110 4.339 4.339 4.361 -0.022 19045 15326 1 20 . 1 1 110 110 TYR CA C 110 58.527 58.527 60.625 -2.098 19045 15327 1 20 . 1 1 110 110 TYR CB C 110 36.323 36.323 38.666 -2.343 19045 15328 1 20 . 1 1 110 110 TYR H H 110 8.282 8.282 7.661 0.621 19045 15329 1 20 . 1 1 111 111 PHE N N 111 119.028 119.028 120.859 -1.831 19045 15330 1 20 . 1 1 111 111 PHE HA H 111 3.889 3.889 4.137 -0.248 19045 15331 1 20 . 1 1 111 111 PHE CA C 111 62.350 62.350 61.102 1.248 19045 15332 1 20 . 1 1 111 111 PHE CB C 111 39.369 39.369 38.987 0.382 19045 15333 1 20 . 1 1 111 111 PHE H H 111 9.197 9.197 8.991 0.206 19045 15334 1 20 . 1 1 112 112 THR N N 112 113.669 113.669 111.809 1.860 19045 15335 1 20 . 1 1 112 112 THR HA H 112 3.411 3.411 2.866 0.545 19045 15336 1 20 . 1 1 112 112 THR CA C 112 67.185 67.185 66.641 0.544 19045 15337 1 20 . 1 1 112 112 THR CB C 112 68.294 68.294 68.451 -0.157 19045 15338 1 20 . 1 1 112 112 THR H H 112 8.315 8.315 8.398 -0.083 19045 15339 1 20 . 1 1 113 113 LYS N N 113 124.090 124.090 122.092 1.998 19045 15340 1 20 . 1 1 113 113 LYS HA H 113 3.854 3.854 4.139 -0.285 19045 15341 1 20 . 1 1 113 113 LYS CA C 113 60.416 60.416 59.025 1.391 19045 15342 1 20 . 1 1 113 113 LYS CB C 113 33.219 33.219 32.167 1.052 19045 15343 1 20 . 1 1 113 113 LYS H H 113 8.335 8.335 7.138 1.197 19045 15344 1 20 . 1 1 114 114 ILE N N 114 120.457 120.457 119.458 0.999 19045 15345 1 20 . 1 1 114 114 ILE HA H 114 3.145 3.145 3.676 -0.531 19045 15346 1 20 . 1 1 114 114 ILE CA C 114 65.550 65.550 63.343 2.207 19045 15347 1 20 . 1 1 114 114 ILE CB C 114 37.402 37.402 36.238 1.164 19045 15348 1 20 . 1 1 114 114 ILE H H 114 8.042 8.042 8.004 0.038 19045 15349 1 20 . 1 1 115 115 ALA N N 115 121.066 121.066 121.872 -0.806 19045 15350 1 20 . 1 1 115 115 ALA HA H 115 3.219 3.219 3.977 -0.758 19045 15351 1 20 . 1 1 115 115 ALA CA C 115 54.940 54.940 55.553 -0.613 19045 15352 1 20 . 1 1 115 115 ALA CB C 115 16.345 16.345 17.551 -1.206 19045 15353 1 20 . 1 1 115 115 ALA H H 115 8.208 8.208 8.046 0.162 19045 15354 1 20 . 1 1 116 116 THR N N 116 112.803 112.803 115.297 -2.494 19045 15355 1 20 . 1 1 116 116 THR HA H 116 3.808 3.808 4.343 -0.535 19045 15356 1 20 . 1 1 116 116 THR CA C 116 67.557 67.557 66.736 0.821 19045 15357 1 20 . 1 1 116 116 THR CB C 116 68.431 68.431 68.732 -0.301 19045 15358 1 20 . 1 1 116 116 THR H H 116 7.893 7.893 8.071 -0.178 19045 15359 1 20 . 1 1 117 117 SER N N 117 115.935 115.935 114.294 1.641 19045 15360 1 20 . 1 1 117 117 SER HA H 117 4.070 4.070 4.374 -0.304 19045 15361 1 20 . 1 1 117 117 SER CA C 117 61.879 61.879 60.979 0.900 19045 15362 1 20 . 1 1 117 117 SER CB C 117 62.907 62.907 63.396 -0.489 19045 15363 1 20 . 1 1 117 117 SER H H 117 7.139 7.139 7.788 -0.649 19045 15364 1 20 . 1 1 118 118 LEU N N 118 123.462 123.462 122.270 1.192 19045 15365 1 20 . 1 1 118 118 LEU HA H 118 3.596 3.596 3.970 -0.374 19045 15366 1 20 . 1 1 118 118 LEU CA C 118 58.014 58.014 57.207 0.807 19045 15367 1 20 . 1 1 118 118 LEU CB C 118 41.687 41.687 41.849 -0.162 19045 15368 1 20 . 1 1 118 118 LEU H H 118 7.844 7.844 7.637 0.207 19045 15369 1 20 . 1 1 119 119 PHE N N 119 110.270 110.270 114.588 -4.318 19045 15370 1 20 . 1 1 119 119 PHE HA H 119 4.721 4.721 4.724 -0.003 19045 15371 1 20 . 1 1 119 119 PHE CA C 119 58.698 58.698 58.420 0.278 19045 15372 1 20 . 1 1 119 119 PHE CB C 119 38.838 38.838 38.404 0.434 19045 15373 1 20 . 1 1 119 119 PHE H H 119 6.878 6.878 8.412 -1.534 19045 15374 1 20 . 1 1 120 120 GLU N N 120 123.135 123.135 118.561 4.574 19045 15375 1 20 . 1 1 120 120 GLU HA H 120 4.016 4.016 4.101 -0.085 19045 15376 1 20 . 1 1 120 120 GLU CA C 120 59.532 59.532 58.766 0.767 19045 15377 1 20 . 1 1 120 120 GLU CB C 120 29.337 29.337 29.522 -0.185 19045 15378 1 20 . 1 1 120 120 GLU H H 120 7.551 7.551 8.411 -0.860 19045 15379 1 20 . 1 1 121 121 SER N N 121 107.983 107.983 113.627 -5.644 19045 15380 1 20 . 1 1 121 121 SER HA H 121 4.522 4.522 4.520 0.002 19045 15381 1 20 . 1 1 121 121 SER CA C 121 57.342 57.342 58.447 -1.105 19045 15382 1 20 . 1 1 121 121 SER CB C 121 63.353 63.353 64.272 -0.919 19045 15383 1 20 . 1 1 121 121 SER H H 121 7.712 7.712 7.911 -0.199 19045 15384 1 20 . 1 1 122 122 GLY N N 122 110.748 110.748 108.424 2.324 19045 15385 1 20 . 1 1 122 122 GLY CA C 122 44.419 44.419 44.733 -0.314 19045 15386 1 20 . 1 1 122 122 GLY H H 122 7.317 7.317 7.964 -0.647 19045 15387 1 20 . 1 1 123 123 ILE N N 123 117.061 117.061 118.793 -1.732 19045 15388 1 20 . 1 1 123 123 ILE HA H 123 3.724 3.724 4.254 -0.530 19045 15389 1 20 . 1 1 123 123 ILE CA C 123 61.383 61.383 60.136 1.247 19045 15390 1 20 . 1 1 123 123 ILE CB C 123 40.588 40.588 38.935 1.653 19045 15391 1 20 . 1 1 123 123 ILE H H 123 7.963 7.963 8.184 -0.221 19045 15392 1 20 . 1 1 124 124 ASN N N 124 117.915 117.915 122.332 -4.417 19045 15393 1 20 . 1 1 124 124 ASN HA H 124 4.204 4.204 4.821 -0.617 19045 15394 1 20 . 1 1 124 124 ASN CA C 124 51.886 51.886 52.264 -0.378 19045 15395 1 20 . 1 1 124 124 ASN CB C 124 39.033 39.033 41.638 -2.605 19045 15396 1 20 . 1 1 124 124 ASN H H 124 6.434 6.434 8.067 -1.633 19045 15397 1 20 . 1 1 125 125 TRP N N 125 119.673 119.673 123.522 -3.849 19045 15398 1 20 . 1 1 125 125 TRP HA H 125 4.470 4.470 4.551 -0.081 19045 15399 1 20 . 1 1 125 125 TRP CA C 125 61.257 61.257 61.146 0.111 19045 15400 1 20 . 1 1 125 125 TRP CB C 125 30.287 30.287 29.573 0.714 19045 15401 1 20 . 1 1 125 125 TRP H H 125 8.824 8.824 9.175 -0.351 19045 15402 1 20 . 1 1 126 126 GLY N N 126 107.516 107.516 106.696 0.820 19045 15403 1 20 . 1 1 126 126 GLY CA C 126 48.294 48.294 47.235 1.059 19045 15404 1 20 . 1 1 126 126 GLY H H 126 9.118 9.118 8.642 0.476 19045 15405 1 20 . 1 1 127 127 ARG N N 127 119.610 119.610 122.202 -2.592 19045 15406 1 20 . 1 1 127 127 ARG HA H 127 3.742 3.742 3.940 -0.198 19045 15407 1 20 . 1 1 127 127 ARG CA C 127 59.551 59.551 59.123 0.428 19045 15408 1 20 . 1 1 127 127 ARG CB C 127 31.163 31.163 29.863 1.300 19045 15409 1 20 . 1 1 127 127 ARG H H 127 8.616 8.616 8.236 0.380 19045 15410 1 20 . 1 1 128 128 VAL N N 128 120.289 120.289 119.316 0.973 19045 15411 1 20 . 1 1 128 128 VAL HA H 128 3.662 3.662 3.905 -0.243 19045 15412 1 20 . 1 1 128 128 VAL CA C 128 68.387 68.387 66.693 1.694 19045 15413 1 20 . 1 1 128 128 VAL CB C 128 31.127 31.127 31.382 -0.255 19045 15414 1 20 . 1 1 128 128 VAL H H 128 7.762 7.762 7.996 -0.234 19045 15415 1 20 . 1 1 129 129 VAL N N 129 119.577 119.577 119.865 -0.288 19045 15416 1 20 . 1 1 129 129 VAL HA H 129 3.449 3.449 3.603 -0.154 19045 15417 1 20 . 1 1 129 129 VAL CA C 129 67.772 67.772 67.101 0.671 19045 15418 1 20 . 1 1 129 129 VAL CB C 129 30.918 30.918 31.551 -0.633 19045 15419 1 20 . 1 1 129 129 VAL H H 129 8.433 8.433 7.758 0.675 19045 15420 1 20 . 1 1 130 130 ALA N N 130 123.330 123.330 123.084 0.246 19045 15421 1 20 . 1 1 130 130 ALA HA H 130 4.069 4.069 4.097 -0.028 19045 15422 1 20 . 1 1 130 130 ALA CA C 130 54.978 54.978 55.066 -0.088 19045 15423 1 20 . 1 1 130 130 ALA CB C 130 17.446 17.446 18.401 -0.955 19045 15424 1 20 . 1 1 130 130 ALA H H 130 8.766 8.766 7.973 0.793 19045 15425 1 20 . 1 1 131 131 LEU N N 131 120.040 120.040 119.443 0.597 19045 15426 1 20 . 1 1 131 131 LEU HA H 131 3.961 3.961 4.430 -0.469 19045 15427 1 20 . 1 1 131 131 LEU CA C 131 58.353 58.353 58.564 -0.211 19045 15428 1 20 . 1 1 131 131 LEU CB C 131 40.750 40.750 42.265 -1.515 19045 15429 1 20 . 1 1 131 131 LEU H H 131 8.178 8.178 8.417 -0.239 19045 15430 1 20 . 1 1 132 132 LEU N N 132 119.150 119.150 117.135 2.015 19045 15431 1 20 . 1 1 132 132 LEU HA H 132 3.952 3.952 4.290 -0.338 19045 15432 1 20 . 1 1 132 132 LEU CA C 132 58.620 58.620 57.373 1.246 19045 15433 1 20 . 1 1 132 132 LEU CB C 132 38.835 38.835 40.872 -2.037 19045 15434 1 20 . 1 1 132 132 LEU H H 132 7.927 7.927 7.537 0.390 19045 15435 1 20 . 1 1 133 133 GLY N N 133 107.066 107.066 108.219 -1.153 19045 15436 1 20 . 1 1 133 133 GLY CA C 133 48.339 48.339 47.620 0.719 19045 15437 1 20 . 1 1 133 133 GLY H H 133 8.752 8.752 8.189 0.563 19045 15438 1 20 . 1 1 134 134 PHE N N 134 123.521 123.521 121.203 2.318 19045 15439 1 20 . 1 1 134 134 PHE HA H 134 4.601 4.601 4.690 -0.089 19045 15440 1 20 . 1 1 134 134 PHE CA C 134 59.884 59.884 58.386 1.498 19045 15441 1 20 . 1 1 134 134 PHE CB C 134 38.622 38.622 38.570 0.052 19045 15442 1 20 . 1 1 134 134 PHE H H 134 8.606 8.606 8.519 0.087 19045 15443 1 20 . 1 1 135 135 GLY N N 135 106.412 106.412 109.207 -2.795 19045 15444 1 20 . 1 1 135 135 GLY CA C 135 47.731 47.731 47.108 0.623 19045 15445 1 20 . 1 1 135 135 GLY H H 135 8.715 8.715 7.792 0.923 19045 15446 1 20 . 1 1 136 136 TYR N N 136 121.461 121.461 122.874 -1.413 19045 15447 1 20 . 1 1 136 136 TYR HA H 136 4.116 4.116 4.281 -0.165 19045 15448 1 20 . 1 1 136 136 TYR CA C 136 61.564 61.564 62.007 -0.443 19045 15449 1 20 . 1 1 136 136 TYR CB C 136 38.469 38.469 38.706 -0.237 19045 15450 1 20 . 1 1 136 136 TYR H H 136 8.809 8.809 8.063 0.746 19045 15451 1 20 . 1 1 137 137 ARG N N 137 117.518 117.518 119.121 -1.603 19045 15452 1 20 . 1 1 137 137 ARG HA H 137 3.647 3.647 4.153 -0.506 19045 15453 1 20 . 1 1 137 137 ARG CA C 137 58.904 58.904 59.365 -0.461 19045 15454 1 20 . 1 1 137 137 ARG CB C 137 29.189 29.189 30.124 -0.935 19045 15455 1 20 . 1 1 137 137 ARG H H 137 8.646 8.646 7.698 0.948 19045 15456 1 20 . 1 1 138 138 LEU N N 138 121.658 121.658 119.544 2.114 19045 15457 1 20 . 1 1 138 138 LEU HA H 138 3.905 3.905 4.107 -0.202 19045 15458 1 20 . 1 1 138 138 LEU CA C 138 58.454 58.454 57.966 0.488 19045 15459 1 20 . 1 1 138 138 LEU CB C 138 41.801 41.801 42.136 -0.335 19045 15460 1 20 . 1 1 138 138 LEU H H 138 9.065 9.065 8.344 0.721 19045 15461 1 20 . 1 1 139 139 ALA N N 139 120.012 120.012 119.511 0.501 19045 15462 1 20 . 1 1 139 139 ALA HA H 139 4.004 4.004 4.233 -0.229 19045 15463 1 20 . 1 1 139 139 ALA CA C 139 55.174 55.174 54.298 0.876 19045 15464 1 20 . 1 1 139 139 ALA CB C 139 17.943 17.943 19.303 -1.360 19045 15465 1 20 . 1 1 139 139 ALA H H 139 8.237 8.237 7.770 0.467 19045 15466 1 20 . 1 1 140 140 LEU N N 140 119.522 119.522 120.523 -1.001 19045 15467 1 20 . 1 1 140 140 LEU HA H 140 4.000 4.000 4.201 -0.201 19045 15468 1 20 . 1 1 140 140 LEU CA C 140 57.805 57.805 58.295 -0.490 19045 15469 1 20 . 1 1 140 140 LEU CB C 140 42.324 42.324 42.310 0.014 19045 15470 1 20 . 1 1 140 140 LEU H H 140 8.191 8.191 8.168 0.023 19045 15471 1 20 . 1 1 141 141 HIS N N 141 117.834 117.834 114.904 2.930 19045 15472 1 20 . 1 1 141 141 HIS HA H 141 4.183 4.183 4.487 -0.304 19045 15473 1 20 . 1 1 141 141 HIS CA C 141 60.960 60.960 58.526 2.434 19045 15474 1 20 . 1 1 141 141 HIS CB C 141 31.708 31.708 30.654 1.054 19045 15475 1 20 . 1 1 141 141 HIS H H 141 8.253 8.253 8.142 0.111 19045 15476 1 20 . 1 1 142 142 VAL N N 142 113.700 113.700 118.069 -4.369 19045 15477 1 20 . 1 1 142 142 VAL HA H 142 3.887 3.887 4.019 -0.132 19045 15478 1 20 . 1 1 142 142 VAL CA C 142 65.948 65.948 64.199 1.749 19045 15479 1 20 . 1 1 142 142 VAL CB C 142 30.264 30.264 32.764 -2.499 19045 15480 1 20 . 1 1 142 142 VAL H H 142 8.455 8.455 7.916 0.539 19045 15481 1 20 . 1 1 143 143 TYR N N 143 123.307 123.307 118.411 4.896 19045 15482 1 20 . 1 1 143 143 TYR HA H 143 4.320 4.320 4.196 0.124 19045 15483 1 20 . 1 1 143 143 TYR CA C 143 61.934 61.934 59.937 1.997 19045 15484 1 20 . 1 1 143 143 TYR CB C 143 38.779 38.779 37.812 0.967 19045 15485 1 20 . 1 1 143 143 TYR H H 143 7.750 7.750 8.202 -0.452 19045 15486 1 20 . 1 1 144 144 GLN N N 144 118.560 118.560 116.992 1.568 19045 15487 1 20 . 1 1 144 144 GLN HA H 144 3.686 3.686 3.375 0.311 19045 15488 1 20 . 1 1 144 144 GLN CA C 144 58.055 58.055 58.053 0.002 19045 15489 1 20 . 1 1 144 144 GLN CB C 144 27.859 27.859 28.123 -0.264 19045 15490 1 20 . 1 1 144 144 GLN H H 144 8.486 8.486 7.353 1.133 19045 15491 1 20 . 1 1 145 145 HIS N N 145 114.312 114.312 116.205 -1.893 19045 15492 1 20 . 1 1 145 145 HIS HA H 145 4.330 4.330 4.324 0.006 19045 15493 1 20 . 1 1 145 145 HIS CA C 145 56.178 56.178 57.358 -1.180 19045 15494 1 20 . 1 1 145 145 HIS CB C 145 27.751 27.751 30.253 -2.502 19045 15495 1 20 . 1 1 145 145 HIS H H 145 7.350 7.350 7.394 -0.044 19045 15496 1 20 . 1 1 146 146 GLY N N 146 106.537 106.537 107.263 -0.726 19045 15497 1 20 . 1 1 146 146 GLY CA C 146 45.715 45.715 44.922 0.792 19045 15498 1 20 . 1 1 146 146 GLY H H 146 7.471 7.471 7.437 0.034 19045 15499 1 20 . 1 1 147 147 LEU N N 147 123.302 123.302 122.567 0.735 19045 15500 1 20 . 1 1 147 147 LEU HA H 147 4.496 4.496 4.853 -0.357 19045 15501 1 20 . 1 1 147 147 LEU CA C 147 54.259 54.259 53.362 0.897 19045 15502 1 20 . 1 1 147 147 LEU CB C 147 41.033 41.033 45.816 -4.783 19045 15503 1 20 . 1 1 147 147 LEU H H 147 7.933 7.933 7.992 -0.059 19045 15504 1 20 . 1 1 148 148 THR HA H 148 4.523 4.523 4.563 -0.040 19045 15505 1 20 . 1 1 148 148 THR CA C 148 61.027 61.027 61.014 0.013 19045 15506 1 20 . 1 1 148 148 THR CB C 148 70.359 70.359 68.594 1.765 19045 15507 1 20 . 1 1 149 149 GLY CA C 149 47.016 47.016 45.825 1.191 19045 15508 1 20 . 1 1 149 149 GLY H H 149 8.458 8.458 8.756 -0.298 19045 15509 1 20 . 1 1 150 150 PHE N N 150 123.408 123.408 124.401 -0.993 19045 15510 1 20 . 1 1 150 150 PHE HA H 150 4.555 4.555 4.727 -0.172 19045 15511 1 20 . 1 1 150 150 PHE CA C 150 57.964 57.964 57.016 0.948 19045 15512 1 20 . 1 1 150 150 PHE CB C 150 42.911 42.911 41.296 1.615 19045 15513 1 20 . 1 1 150 150 PHE H H 150 9.331 9.331 7.940 1.391 19045 15514 1 20 . 1 1 151 151 LEU N N 151 123.032 123.032 120.261 2.771 19045 15515 1 20 . 1 1 151 151 LEU HA H 151 3.859 3.859 3.732 0.127 19045 15516 1 20 . 1 1 151 151 LEU CA C 151 58.454 58.454 59.139 -0.685 19045 15517 1 20 . 1 1 151 151 LEU CB C 151 40.948 40.948 40.253 0.695 19045 15518 1 20 . 1 1 151 151 LEU H H 151 8.470 8.470 7.974 0.496 19045 15519 1 20 . 1 1 152 152 GLY N N 152 108.386 108.386 105.036 3.350 19045 15520 1 20 . 1 1 152 152 GLY CA C 152 46.676 46.676 47.313 -0.637 19045 15521 1 20 . 1 1 152 152 GLY H H 152 8.577 8.577 8.474 0.103 19045 15522 1 20 . 1 1 153 153 GLN N N 153 122.055 122.055 121.032 1.023 19045 15523 1 20 . 1 1 153 153 GLN HA H 153 3.532 3.532 3.618 -0.086 19045 15524 1 20 . 1 1 153 153 GLN CA C 153 57.844 57.844 57.567 0.277 19045 15525 1 20 . 1 1 153 153 GLN CB C 153 26.442 26.442 27.269 -0.827 19045 15526 1 20 . 1 1 153 153 GLN H H 153 7.106 7.106 7.313 -0.207 19045 15527 1 20 . 1 1 154 154 VAL N N 154 116.706 116.706 120.399 -3.693 19045 15528 1 20 . 1 1 154 154 VAL HA H 154 2.428 2.428 3.460 -1.032 19045 15529 1 20 . 1 1 154 154 VAL CA C 154 66.089 66.089 66.700 -0.611 19045 15530 1 20 . 1 1 154 154 VAL CB C 154 31.463 31.463 30.897 0.566 19045 15531 1 20 . 1 1 154 154 VAL H H 154 7.033 7.033 8.062 -1.029 19045 15532 1 20 . 1 1 155 155 THR N N 155 114.165 114.165 115.487 -1.322 19045 15533 1 20 . 1 1 155 155 THR HA H 155 3.317 3.317 2.895 0.422 19045 15534 1 20 . 1 1 155 155 THR CA C 155 67.050 67.050 66.388 0.662 19045 15535 1 20 . 1 1 155 155 THR CB C 155 68.307 68.307 68.144 0.162 19045 15536 1 20 . 1 1 155 155 THR H H 155 7.860 7.860 7.771 0.089 19045 15537 1 20 . 1 1 156 156 ARG N N 156 119.890 119.890 120.176 -0.286 19045 15538 1 20 . 1 1 156 156 ARG HA H 156 3.769 3.769 3.895 -0.126 19045 15539 1 20 . 1 1 156 156 ARG CA C 156 58.769 58.769 58.977 -0.207 19045 15540 1 20 . 1 1 156 156 ARG CB C 156 28.693 28.693 29.490 -0.797 19045 15541 1 20 . 1 1 156 156 ARG H H 156 7.019 7.019 7.726 -0.707 19045 15542 1 20 . 1 1 157 157 PHE N N 157 118.242 118.242 119.781 -1.539 19045 15543 1 20 . 1 1 157 157 PHE HA H 157 4.426 4.426 4.574 -0.148 19045 15544 1 20 . 1 1 157 157 PHE CA C 157 56.928 56.928 60.666 -3.738 19045 15545 1 20 . 1 1 157 157 PHE CB C 157 35.794 35.794 38.196 -2.402 19045 15546 1 20 . 1 1 157 157 PHE H H 157 8.030 8.030 8.248 -0.218 19045 15547 1 20 . 1 1 158 158 VAL N N 158 118.961 118.961 119.228 -0.267 19045 15548 1 20 . 1 1 158 158 VAL HA H 158 3.425 3.425 3.896 -0.471 19045 15549 1 20 . 1 1 158 158 VAL CA C 158 67.288 67.288 67.017 0.271 19045 15550 1 20 . 1 1 158 158 VAL CB C 158 31.554 31.554 31.463 0.091 19045 15551 1 20 . 1 1 158 158 VAL H H 158 7.607 7.607 7.630 -0.023 19045 15552 1 20 . 1 1 159 159 VAL N N 159 119.773 119.773 119.982 -0.209 19045 15553 1 20 . 1 1 159 159 VAL HA H 159 3.358 3.358 3.732 -0.374 19045 15554 1 20 . 1 1 159 159 VAL CA C 159 67.570 67.570 66.051 1.519 19045 15555 1 20 . 1 1 159 159 VAL CB C 159 32.355 32.355 31.880 0.475 19045 15556 1 20 . 1 1 159 159 VAL H H 159 8.039 8.039 7.627 0.412 19045 15557 1 20 . 1 1 160 160 ASP N N 160 118.382 118.382 121.251 -2.869 19045 15558 1 20 . 1 1 160 160 ASP HA H 160 4.293 4.293 4.381 -0.088 19045 15559 1 20 . 1 1 160 160 ASP CA C 160 57.567 57.567 57.458 0.109 19045 15560 1 20 . 1 1 160 160 ASP CB C 160 41.474 41.474 40.497 0.977 19045 15561 1 20 . 1 1 160 160 ASP H H 160 8.752 8.752 8.559 0.193 19045 15562 1 20 . 1 1 161 161 PHE N N 161 119.972 119.972 120.362 -0.390 19045 15563 1 20 . 1 1 161 161 PHE HA H 161 4.175 4.175 4.327 -0.152 19045 15564 1 20 . 1 1 161 161 PHE CA C 161 62.688 62.688 61.230 1.458 19045 15565 1 20 . 1 1 161 161 PHE CB C 161 39.789 39.789 39.353 0.436 19045 15566 1 20 . 1 1 161 161 PHE H H 161 8.558 8.558 8.138 0.420 19045 15567 1 20 . 1 1 162 162 MET N N 162 116.261 116.261 119.030 -2.769 19045 15568 1 20 . 1 1 162 162 MET HA H 162 3.702 3.702 4.010 -0.308 19045 15569 1 20 . 1 1 162 162 MET CA C 162 59.342 59.342 59.348 -0.006 19045 15570 1 20 . 1 1 162 162 MET CB C 162 32.081 32.081 33.057 -0.976 19045 15571 1 20 . 1 1 162 162 MET H H 162 8.597 8.597 8.367 0.230 19045 15572 1 20 . 1 1 163 163 LEU N N 163 119.069 119.069 115.257 3.812 19045 15573 1 20 . 1 1 163 163 LEU HA H 163 3.952 3.952 4.161 -0.209 19045 15574 1 20 . 1 1 163 163 LEU CA C 163 57.856 57.856 55.976 1.880 19045 15575 1 20 . 1 1 163 163 LEU CB C 163 42.236 42.236 41.821 0.415 19045 15576 1 20 . 1 1 163 163 LEU H H 163 8.291 8.291 7.771 0.520 19045 15577 1 20 . 1 1 164 164 HIS N N 164 113.591 113.591 115.957 -2.366 19045 15578 1 20 . 1 1 164 164 HIS HA H 164 4.430 4.430 4.656 -0.226 19045 15579 1 20 . 1 1 164 164 HIS CA C 164 57.289 57.289 55.882 1.407 19045 15580 1 20 . 1 1 164 164 HIS CB C 164 28.766 28.766 29.454 -0.688 19045 15581 1 20 . 1 1 164 164 HIS H H 164 8.111 8.111 7.393 0.718 19045 15582 1 20 . 1 1 165 165 HIS N N 165 115.730 115.730 116.818 -1.088 19045 15583 1 20 . 1 1 165 165 HIS HA H 165 4.602 4.602 4.566 0.036 19045 15584 1 20 . 1 1 165 165 HIS CA C 165 54.752 54.752 56.811 -2.059 19045 15585 1 20 . 1 1 165 165 HIS CB C 165 26.766 26.766 32.225 -5.459 19045 15586 1 20 . 1 1 165 165 HIS H H 165 7.789 7.789 8.199 -0.410 19045 15587 1 20 . 1 1 166 166 CYS N N 166 109.533 109.533 115.202 -5.669 19045 15588 1 20 . 1 1 166 166 CYS HA H 166 4.274 4.274 4.240 0.034 19045 15589 1 20 . 1 1 166 166 CYS CA C 166 61.452 61.452 59.972 1.480 19045 15590 1 20 . 1 1 166 166 CYS CB C 166 25.215 25.215 28.246 -3.031 19045 15591 1 20 . 1 1 166 166 CYS H H 166 7.761 7.761 8.127 -0.366 19045 15592 1 20 . 1 1 167 167 ILE N N 167 119.980 119.980 122.468 -2.488 19045 15593 1 20 . 1 1 167 167 ILE HA H 167 3.563 3.563 3.478 0.085 19045 15594 1 20 . 1 1 167 167 ILE CA C 167 62.212 62.212 64.388 -2.176 19045 15595 1 20 . 1 1 167 167 ILE CB C 167 35.969 35.969 36.580 -0.611 19045 15596 1 20 . 1 1 167 167 ILE H H 167 7.574 7.574 8.186 -0.612 19045 15597 1 20 . 1 1 168 168 ALA N N 168 121.737 121.737 123.092 -1.355 19045 15598 1 20 . 1 1 168 168 ALA HA H 168 3.775 3.775 3.868 -0.093 19045 15599 1 20 . 1 1 168 168 ALA CA C 168 55.082 55.082 55.380 -0.298 19045 15600 1 20 . 1 1 168 168 ALA CB C 168 16.505 16.505 18.019 -1.514 19045 15601 1 20 . 1 1 168 168 ALA H H 168 7.935 7.935 7.896 0.039 19045 15602 1 20 . 1 1 169 169 ARG N N 169 118.369 118.369 119.562 -1.193 19045 15603 1 20 . 1 1 169 169 ARG HA H 169 3.550 3.550 3.959 -0.409 19045 15604 1 20 . 1 1 169 169 ARG CA C 169 59.581 59.581 58.999 0.582 19045 15605 1 20 . 1 1 169 169 ARG CB C 169 29.380 29.380 29.873 -0.493 19045 15606 1 20 . 1 1 169 169 ARG H H 169 7.936 7.936 8.256 -0.320 19045 15607 1 20 . 1 1 170 170 TRP N N 170 121.173 121.173 121.249 -0.076 19045 15608 1 20 . 1 1 170 170 TRP HA H 170 3.763 3.763 4.182 -0.419 19045 15609 1 20 . 1 1 170 170 TRP CA C 170 62.080 62.080 61.121 0.959 19045 15610 1 20 . 1 1 170 170 TRP CB C 170 29.423 29.423 29.281 0.142 19045 15611 1 20 . 1 1 170 170 TRP H H 170 7.259 7.259 8.040 -0.781 19045 15612 1 20 . 1 1 171 171 ILE N N 171 117.994 117.994 118.908 -0.914 19045 15613 1 20 . 1 1 171 171 ILE HA H 171 2.864 2.864 2.983 -0.119 19045 15614 1 20 . 1 1 171 171 ILE CA C 171 65.347 65.347 64.803 0.544 19045 15615 1 20 . 1 1 171 171 ILE CB C 171 37.781 37.781 37.489 0.292 19045 15616 1 20 . 1 1 171 171 ILE H H 171 8.074 8.074 8.712 -0.638 19045 15617 1 20 . 1 1 172 172 ALA N N 172 123.588 123.588 120.851 2.737 19045 15618 1 20 . 1 1 172 172 ALA HA H 172 3.506 3.506 3.920 -0.414 19045 15619 1 20 . 1 1 172 172 ALA CA C 172 55.685 55.685 54.791 0.894 19045 15620 1 20 . 1 1 172 172 ALA CB C 172 17.050 17.050 18.269 -1.219 19045 15621 1 20 . 1 1 172 172 ALA H H 172 8.511 8.511 7.861 0.650 19045 15622 1 20 . 1 1 173 173 GLN N N 173 117.382 117.382 116.737 0.645 19045 15623 1 20 . 1 1 173 173 GLN HA H 173 3.854 3.854 3.974 -0.120 19045 15624 1 20 . 1 1 173 173 GLN CA C 173 57.904 57.904 57.592 0.312 19045 15625 1 20 . 1 1 173 173 GLN CB C 173 28.141 28.141 28.507 -0.366 19045 15626 1 20 . 1 1 173 173 GLN H H 173 7.898 7.898 7.499 0.399 19045 15627 1 20 . 1 1 174 174 ARG N N 174 116.800 116.800 116.303 0.497 19045 15628 1 20 . 1 1 174 174 ARG HA H 174 4.097 4.097 4.033 0.064 19045 15629 1 20 . 1 1 174 174 ARG CA C 174 55.395 55.395 55.814 -0.419 19045 15630 1 20 . 1 1 174 174 ARG CB C 174 29.652 29.652 30.096 -0.444 19045 15631 1 20 . 1 1 174 174 ARG H H 174 6.984 6.984 7.406 -0.422 19045 15632 1 20 . 1 1 175 175 GLY N N 175 104.194 104.194 105.113 -0.919 19045 15633 1 20 . 1 1 175 175 GLY CA C 175 44.340 44.340 44.510 -0.170 19045 15634 1 20 . 1 1 175 175 GLY H H 175 7.418 7.418 7.051 0.367 19045 15635 1 20 . 1 1 176 176 GLY N N 176 107.629 107.629 107.826 -0.197 19045 15636 1 20 . 1 1 176 176 GLY CA C 176 43.501 43.501 44.855 -1.355 19045 15637 1 20 . 1 1 176 176 GLY H H 176 8.072 8.072 7.651 0.421 19045 15638 1 20 . 1 1 177 177 TRP N N 177 117.887 117.887 121.262 -3.375 19045 15639 1 20 . 1 1 177 177 TRP HA H 177 4.476 4.476 4.728 -0.252 19045 15640 1 20 . 1 1 177 177 TRP CA C 177 61.083 61.083 60.498 0.585 19045 15641 1 20 . 1 1 177 177 TRP CB C 177 30.927 30.927 29.220 1.707 19045 15642 1 20 . 1 1 177 177 TRP H H 177 8.218 8.218 8.957 -0.739 19045 15643 1 20 . 1 1 178 178 VAL N N 178 112.929 112.929 119.890 -6.961 19045 15644 1 20 . 1 1 178 178 VAL HA H 178 3.688 3.688 3.763 -0.075 19045 15645 1 20 . 1 1 178 178 VAL CA C 178 64.680 64.680 64.522 0.158 19045 15646 1 20 . 1 1 178 178 VAL CB C 178 31.057 31.057 30.571 0.486 19045 15647 1 20 . 1 1 178 178 VAL H H 178 8.284 8.284 7.991 0.293 19045 15648 1 20 . 1 1 179 179 ALA N N 179 125.101 125.101 120.502 4.599 19045 15649 1 20 . 1 1 179 179 ALA HA H 179 4.009 4.009 4.345 -0.336 19045 15650 1 20 . 1 1 179 179 ALA CA C 179 54.344 54.344 52.983 1.361 19045 15651 1 20 . 1 1 179 179 ALA CB C 179 18.555 18.555 18.702 -0.147 19045 15652 1 20 . 1 1 179 179 ALA H H 179 7.670 7.670 7.824 -0.154 19045 15653 1 20 . 1 1 180 180 ALA N N 180 119.081 119.081 122.332 -3.251 19045 15654 1 20 . 1 1 180 180 ALA HA H 180 3.293 3.293 3.566 -0.273 19045 15655 1 20 . 1 1 180 180 ALA CA C 180 52.783 52.783 53.878 -1.095 19045 15656 1 20 . 1 1 180 180 ALA CB C 180 18.113 18.113 19.283 -1.170 19045 15657 1 20 . 1 1 180 180 ALA H H 180 8.058 8.058 7.999 0.059 19045 15658 1 20 . 1 1 181 181 LEU N N 181 114.169 114.169 113.664 0.505 19045 15659 1 20 . 1 1 181 181 LEU HA H 181 3.911 3.911 4.131 -0.220 19045 15660 1 20 . 1 1 181 181 LEU CA C 181 56.128 56.128 56.204 -0.076 19045 15661 1 20 . 1 1 181 181 LEU CB C 181 40.955 40.955 41.861 -0.906 19045 15662 1 20 . 1 1 181 181 LEU H H 181 7.342 7.342 7.407 -0.065 19045 15663 1 20 . 1 1 182 182 ASN N N 182 115.061 115.061 117.037 -1.976 19045 15664 1 20 . 1 1 182 182 ASN HA H 182 4.743 4.743 4.649 0.094 19045 15665 1 20 . 1 1 182 182 ASN CA C 182 52.508 52.508 53.219 -0.711 19045 15666 1 20 . 1 1 182 182 ASN CB C 182 39.091 39.091 38.520 0.571 19045 15667 1 20 . 1 1 182 182 ASN H H 182 7.289 7.289 7.977 -0.688 19045 15668 1 20 . 1 1 183 183 LEU N N 183 119.889 119.889 118.751 1.138 19045 15669 1 20 . 1 1 183 183 LEU HA H 183 4.125 4.125 4.661 -0.536 19045 15670 1 20 . 1 1 183 183 LEU CA C 183 55.201 55.201 54.165 1.036 19045 15671 1 20 . 1 1 183 183 LEU CB C 183 42.174 42.174 43.791 -1.617 19045 15672 1 20 . 1 1 183 183 LEU H H 183 7.148 7.148 7.382 -0.234 19045 15673 1 20 . 1 1 184 184 GLY N N 184 107.883 107.883 108.904 -1.021 19045 15674 1 20 . 1 1 184 184 GLY CA C 184 45.256 45.256 47.020 -1.764 19045 15675 1 20 . 1 1 184 184 GLY H H 184 8.486 8.486 8.513 -0.027 19045 15676 1 20 . 1 1 185 185 ASN N N 185 118.093 118.093 123.261 -5.168 19045 15677 1 20 . 1 1 185 185 ASN HA H 185 4.755 4.755 4.908 -0.153 19045 15678 1 20 . 1 1 185 185 ASN CA C 185 52.812 52.812 52.175 0.637 19045 15679 1 20 . 1 1 185 185 ASN CB C 185 39.297 39.297 39.344 -0.047 19045 15680 1 20 . 1 1 185 185 ASN H H 185 8.074 8.074 8.469 -0.395 19045 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 153 2.342 0.357 2.322 19045 2 1 1 "Average Difference" HA 181 0.311 0.108 0.293 19045 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19045 4 1 1 "Average Difference" CA 166 1.043 -0.098 1.041 19045 5 1 1 "Average Difference" CB 153 1.060 0.119 1.057 19045 6 1 1 "Average Difference" HN 159 0.542 0.007 0.544 19045 7 1 2 "Average Difference" N 153 2.484 0.316 2.472 19045 8 1 2 "Average Difference" HA 181 0.325 0.102 0.309 19045 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19045 10 1 2 "Average Difference" CA 166 1.065 -0.091 1.064 19045 11 1 2 "Average Difference" CB 153 0.983 0.179 0.970 19045 12 1 2 "Average Difference" HN 159 0.527 -0.012 0.528 19045 13 1 3 "Average Difference" N 153 2.440 0.454 2.405 19045 14 1 3 "Average Difference" HA 181 0.320 0.112 0.300 19045 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19045 16 1 3 "Average Difference" CA 166 1.017 -0.110 1.014 19045 17 1 3 "Average Difference" CB 153 0.993 0.169 0.981 19045 18 1 3 "Average Difference" HN 159 0.494 0.005 0.495 19045 19 1 4 "Average Difference" N 153 2.250 0.424 2.217 19045 20 1 4 "Average Difference" HA 181 0.316 0.116 0.294 19045 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19045 22 1 4 "Average Difference" CA 166 1.106 -0.238 1.084 19045 23 1 4 "Average Difference" CB 153 1.159 0.190 1.147 19045 24 1 4 "Average Difference" HN 159 0.535 -0.034 0.536 19045 25 1 5 "Average Difference" N 153 2.404 0.342 2.388 19045 26 1 5 "Average Difference" HA 181 0.324 0.113 0.305 19045 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19045 28 1 5 "Average Difference" CA 166 1.137 -0.206 1.121 19045 29 1 5 "Average Difference" CB 153 1.144 0.182 1.134 19045 30 1 5 "Average Difference" HN 159 0.539 -0.025 0.540 19045 31 1 6 "Average Difference" N 153 2.338 0.189 2.338 19045 32 1 6 "Average Difference" HA 181 0.328 0.102 0.312 19045 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19045 34 1 6 "Average Difference" CA 166 1.088 -0.182 1.076 19045 35 1 6 "Average Difference" CB 153 1.132 0.198 1.119 19045 36 1 6 "Average Difference" HN 159 0.527 -0.034 0.528 19045 37 1 7 "Average Difference" N 153 2.322 0.435 2.288 19045 38 1 7 "Average Difference" HA 181 0.323 0.120 0.300 19045 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19045 40 1 7 "Average Difference" CA 166 1.071 -0.185 1.058 19045 41 1 7 "Average Difference" CB 153 1.007 0.183 0.993 19045 42 1 7 "Average Difference" HN 159 0.513 -0.017 0.514 19045 43 1 8 "Average Difference" N 153 2.229 0.290 2.217 19045 44 1 8 "Average Difference" HA 181 0.315 0.114 0.295 19045 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19045 46 1 8 "Average Difference" CA 166 0.995 -0.151 0.986 19045 47 1 8 "Average Difference" CB 153 0.992 0.148 0.984 19045 48 1 8 "Average Difference" HN 159 0.518 0.003 0.520 19045 49 1 9 "Average Difference" N 153 2.338 0.366 2.317 19045 50 1 9 "Average Difference" HA 181 0.326 0.127 0.301 19045 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19045 52 1 9 "Average Difference" CA 166 1.109 -0.163 1.100 19045 53 1 9 "Average Difference" CB 153 1.149 0.254 1.124 19045 54 1 9 "Average Difference" HN 159 0.540 -0.017 0.541 19045 55 1 10 "Average Difference" N 153 2.341 0.282 2.332 19045 56 1 10 "Average Difference" HA 181 0.321 0.126 0.296 19045 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19045 58 1 10 "Average Difference" CA 166 0.979 -0.208 0.960 19045 59 1 10 "Average Difference" CB 153 1.046 0.148 1.039 19045 60 1 10 "Average Difference" HN 159 0.526 -0.010 0.528 19045 61 1 11 "Average Difference" N 153 2.416 0.361 2.397 19045 62 1 11 "Average Difference" HA 181 0.326 0.123 0.303 19045 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19045 64 1 11 "Average Difference" CA 166 1.037 -0.191 1.023 19045 65 1 11 "Average Difference" CB 153 1.090 0.180 1.078 19045 66 1 11 "Average Difference" HN 159 0.514 0.010 0.516 19045 67 1 12 "Average Difference" N 153 2.235 0.508 2.183 19045 68 1 12 "Average Difference" HA 181 0.334 0.116 0.313 19045 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19045 70 1 12 "Average Difference" CA 166 1.074 -0.205 1.057 19045 71 1 12 "Average Difference" CB 153 1.023 0.132 1.017 19045 72 1 12 "Average Difference" HN 159 0.541 -0.017 0.542 19045 73 1 13 "Average Difference" N 153 2.434 0.454 2.399 19045 74 1 13 "Average Difference" HA 181 0.326 0.122 0.303 19045 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19045 76 1 13 "Average Difference" CA 166 1.065 -0.191 1.051 19045 77 1 13 "Average Difference" CB 153 1.081 0.211 1.064 19045 78 1 13 "Average Difference" HN 159 0.527 0.003 0.529 19045 79 1 14 "Average Difference" N 153 2.389 0.394 2.364 19045 80 1 14 "Average Difference" HA 181 0.303 0.119 0.280 19045 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19045 82 1 14 "Average Difference" CA 166 0.988 -0.159 0.978 19045 83 1 14 "Average Difference" CB 153 1.081 0.195 1.067 19045 84 1 14 "Average Difference" HN 159 0.518 0.009 0.519 19045 85 1 15 "Average Difference" N 153 2.357 0.407 2.330 19045 86 1 15 "Average Difference" HA 181 0.329 0.131 0.302 19045 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19045 88 1 15 "Average Difference" CA 166 1.048 -0.213 1.029 19045 89 1 15 "Average Difference" CB 153 1.178 0.197 1.165 19045 90 1 15 "Average Difference" HN 159 0.541 0.003 0.543 19045 91 1 16 "Average Difference" N 153 2.331 0.214 2.329 19045 92 1 16 "Average Difference" HA 181 0.328 0.120 0.306 19045 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19045 94 1 16 "Average Difference" CA 166 1.084 -0.203 1.068 19045 95 1 16 "Average Difference" CB 153 1.065 0.113 1.062 19045 96 1 16 "Average Difference" HN 159 0.521 -0.043 0.520 19045 97 1 17 "Average Difference" N 153 2.324 0.527 2.271 19045 98 1 17 "Average Difference" HA 181 0.325 0.126 0.300 19045 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19045 100 1 17 "Average Difference" CA 166 1.018 -0.173 1.006 19045 101 1 17 "Average Difference" CB 153 1.077 0.179 1.065 19045 102 1 17 "Average Difference" HN 159 0.513 -0.013 0.514 19045 103 1 18 "Average Difference" N 153 2.363 0.451 2.327 19045 104 1 18 "Average Difference" HA 181 0.305 0.132 0.276 19045 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19045 106 1 18 "Average Difference" CA 166 1.056 -0.200 1.040 19045 107 1 18 "Average Difference" CB 153 1.125 0.223 1.106 19045 108 1 18 "Average Difference" HN 159 0.502 -0.018 0.503 19045 109 1 19 "Average Difference" N 153 2.368 0.480 2.326 19045 110 1 19 "Average Difference" HA 181 0.317 0.116 0.296 19045 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19045 112 1 19 "Average Difference" CA 166 1.103 -0.156 1.095 19045 113 1 19 "Average Difference" CB 153 1.044 0.235 1.021 19045 114 1 19 "Average Difference" HN 159 0.500 -0.006 0.501 19045 115 1 20 "Average Difference" N 153 2.383 0.333 2.368 19045 116 1 20 "Average Difference" HA 181 0.325 0.108 0.308 19045 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19045 118 1 20 "Average Difference" CA 166 1.052 -0.152 1.044 19045 119 1 20 "Average Difference" CB 153 1.169 0.321 1.127 19045 120 1 20 "Average Difference" HN 159 0.527 -0.013 0.529 19045 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 19045 _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 19 19 LEU N N 19 122.834 122.834 122.831 0.003 19045 2 1 . 1 1 19 19 LEU HA H 19 4.523 4.523 4.771 -0.248 19045 3 1 . 1 1 19 19 LEU CA C 19 52.690 52.690 53.483 -0.793 19045 4 1 . 1 1 19 19 LEU CB C 19 41.808 41.808 41.440 0.368 19045 5 1 . 1 1 19 19 LEU H H 19 8.080 8.080 8.015 0.065 19045 6 1 . 1 1 20 20 PRO HA H 20 4.353 4.353 4.551 -0.198 19045 7 1 . 1 1 20 20 PRO CA C 20 62.826 62.826 62.439 0.387 19045 8 1 . 1 1 20 20 PRO CB C 20 31.969 31.969 32.329 -0.360 19045 9 1 . 1 1 21 21 SER N N 21 116.268 116.268 114.174 2.094 19045 10 1 . 1 1 21 21 SER HA H 21 4.249 4.249 4.386 -0.137 19045 11 1 . 1 1 21 21 SER CA C 21 58.338 58.338 58.244 0.094 19045 12 1 . 1 1 21 21 SER CB C 21 63.856 63.856 63.959 -0.102 19045 13 1 . 1 1 21 21 SER H H 21 8.246 8.246 8.250 -0.004 19045 14 1 . 1 1 22 22 ALA N N 22 125.246 125.246 124.201 1.045 19045 15 1 . 1 1 22 22 ALA HA H 22 4.405 4.405 4.479 -0.074 19045 16 1 . 1 1 22 22 ALA CA C 22 52.086 52.086 51.848 0.238 19045 17 1 . 1 1 22 22 ALA CB C 22 19.582 19.582 20.438 -0.856 19045 18 1 . 1 1 22 22 ALA H H 22 8.192 8.192 8.261 -0.069 19045 19 1 . 1 1 23 23 SER N N 23 114.236 114.236 114.712 -0.476 19045 20 1 . 1 1 23 23 SER HA H 23 4.469 4.469 4.807 -0.338 19045 21 1 . 1 1 23 23 SER CA C 23 57.386 57.386 56.841 0.545 19045 22 1 . 1 1 23 23 SER CB C 23 64.582 64.582 65.748 -1.166 19045 23 1 . 1 1 23 23 SER H H 23 8.081 8.081 8.301 -0.220 19045 24 1 . 1 1 24 24 GLU N N 24 124.005 124.005 123.228 0.777 19045 25 1 . 1 1 24 24 GLU HA H 24 3.534 3.534 3.883 -0.349 19045 26 1 . 1 1 24 24 GLU CA C 24 59.772 59.772 60.122 -0.350 19045 27 1 . 1 1 24 24 GLU CB C 24 29.798 29.798 29.160 0.638 19045 28 1 . 1 1 24 24 GLU H H 24 8.702 8.702 9.026 -0.324 19045 29 1 . 1 1 25 25 GLU N N 25 118.390 118.390 118.177 0.213 19045 30 1 . 1 1 25 25 GLU HA H 25 3.796 3.796 3.970 -0.174 19045 31 1 . 1 1 25 25 GLU CA C 25 59.939 59.939 59.357 0.582 19045 32 1 . 1 1 25 25 GLU CB C 25 29.217 29.217 28.748 0.469 19045 33 1 . 1 1 25 25 GLU H H 25 8.559 8.559 8.837 -0.278 19045 34 1 . 1 1 26 26 GLN N N 26 120.776 120.776 119.179 1.597 19045 35 1 . 1 1 26 26 GLN HA H 26 3.916 3.916 4.276 -0.360 19045 36 1 . 1 1 26 26 GLN CA C 26 58.343 58.343 58.288 0.055 19045 37 1 . 1 1 26 26 GLN CB C 26 28.119 28.119 28.122 -0.003 19045 38 1 . 1 1 26 26 GLN H H 26 7.764 7.764 7.681 0.083 19045 39 1 . 1 1 27 27 VAL N N 27 118.723 118.723 121.604 -2.881 19045 40 1 . 1 1 27 27 VAL HA H 27 3.933 3.933 3.790 0.143 19045 41 1 . 1 1 27 27 VAL CA C 27 66.285 66.285 66.390 -0.105 19045 42 1 . 1 1 27 27 VAL CB C 27 31.596 31.596 31.267 0.330 19045 43 1 . 1 1 27 27 VAL H H 27 8.062 8.062 8.267 -0.205 19045 44 1 . 1 1 28 28 ALA N N 28 122.902 122.902 122.126 0.776 19045 45 1 . 1 1 28 28 ALA HA H 28 4.026 4.026 3.967 0.059 19045 46 1 . 1 1 28 28 ALA CA C 28 56.178 56.178 55.531 0.647 19045 47 1 . 1 1 28 28 ALA CB C 28 18.463 18.463 18.199 0.264 19045 48 1 . 1 1 28 28 ALA H H 28 8.412 8.412 8.214 0.198 19045 49 1 . 1 1 29 29 GLN N N 29 117.996 117.996 118.009 -0.013 19045 50 1 . 1 1 29 29 GLN HA H 29 4.084 4.084 4.071 0.013 19045 51 1 . 1 1 29 29 GLN CA C 29 59.063 59.063 58.831 0.232 19045 52 1 . 1 1 29 29 GLN CB C 29 28.452 28.452 28.490 -0.038 19045 53 1 . 1 1 29 29 GLN H H 29 7.900 7.900 7.802 0.098 19045 54 1 . 1 1 30 30 ASP N N 30 121.907 121.907 119.562 2.345 19045 55 1 . 1 1 30 30 ASP HA H 30 4.521 4.521 4.393 0.128 19045 56 1 . 1 1 30 30 ASP CA C 30 57.038 57.038 57.041 -0.003 19045 57 1 . 1 1 30 30 ASP CB C 30 41.939 41.939 40.284 1.655 19045 58 1 . 1 1 30 30 ASP H H 30 8.888 8.888 8.263 0.625 19045 59 1 . 1 1 31 31 THR N N 31 114.861 114.861 116.714 -1.853 19045 60 1 . 1 1 31 31 THR HA H 31 3.493 3.493 3.399 0.094 19045 61 1 . 1 1 31 31 THR CA C 31 66.946 66.946 66.932 0.014 19045 62 1 . 1 1 31 31 THR CB C 31 68.523 68.523 68.867 -0.344 19045 63 1 . 1 1 31 31 THR H H 31 8.069 8.069 8.160 -0.091 19045 64 1 . 1 1 32 32 GLU N N 32 120.848 120.848 120.890 -0.042 19045 65 1 . 1 1 32 32 GLU HA H 32 3.597 3.597 3.880 -0.283 19045 66 1 . 1 1 32 32 GLU CA C 32 60.899 60.899 59.519 1.380 19045 67 1 . 1 1 32 32 GLU CB C 32 28.963 28.963 28.729 0.234 19045 68 1 . 1 1 32 32 GLU H H 32 7.578 7.578 8.025 -0.447 19045 69 1 . 1 1 33 33 GLU N N 33 117.741 117.741 120.132 -2.391 19045 70 1 . 1 1 33 33 GLU HA H 33 3.938 3.938 4.019 -0.081 19045 71 1 . 1 1 33 33 GLU CA C 33 58.768 58.768 59.161 -0.393 19045 72 1 . 1 1 33 33 GLU CB C 33 29.708 29.708 29.558 0.150 19045 73 1 . 1 1 33 33 GLU H H 33 7.446 7.446 7.860 -0.414 19045 74 1 . 1 1 34 34 VAL N N 34 120.239 120.239 119.768 0.471 19045 75 1 . 1 1 34 34 VAL HA H 34 3.108 3.108 3.633 -0.526 19045 76 1 . 1 1 34 34 VAL CA C 34 66.979 66.979 65.889 1.090 19045 77 1 . 1 1 34 34 VAL CB C 34 31.884 31.884 30.919 0.965 19045 78 1 . 1 1 34 34 VAL H H 34 7.792 7.792 7.969 -0.177 19045 79 1 . 1 1 35 35 PHE N N 35 117.559 117.559 121.103 -3.544 19045 80 1 . 1 1 35 35 PHE HA H 35 4.209 4.209 4.067 0.142 19045 81 1 . 1 1 35 35 PHE CA C 35 61.592 61.592 62.060 -0.468 19045 82 1 . 1 1 35 35 PHE CB C 35 39.066 39.066 39.014 0.052 19045 83 1 . 1 1 35 35 PHE H H 35 8.895 8.895 8.381 0.514 19045 84 1 . 1 1 36 36 ARG N N 36 116.705 116.705 118.812 -2.107 19045 85 1 . 1 1 36 36 ARG HA H 36 3.555 3.555 3.786 -0.231 19045 86 1 . 1 1 36 36 ARG CA C 36 59.906 59.906 59.713 0.193 19045 87 1 . 1 1 36 36 ARG CB C 36 29.654 29.654 29.937 -0.283 19045 88 1 . 1 1 36 36 ARG H H 36 8.182 8.182 8.232 -0.050 19045 89 1 . 1 1 37 37 SER N N 37 112.628 112.628 115.406 -2.778 19045 90 1 . 1 1 37 37 SER HA H 37 4.122 4.122 4.201 -0.079 19045 91 1 . 1 1 37 37 SER CA C 37 61.258 61.258 61.598 -0.340 19045 92 1 . 1 1 37 37 SER CB C 37 63.089 63.089 63.027 0.062 19045 93 1 . 1 1 37 37 SER H H 37 7.845 7.845 8.149 -0.304 19045 94 1 . 1 1 38 38 TYR N N 38 122.458 122.458 124.384 -1.926 19045 95 1 . 1 1 38 38 TYR HA H 38 3.927 3.927 4.165 -0.238 19045 96 1 . 1 1 38 38 TYR CA C 38 62.006 62.006 61.740 0.266 19045 97 1 . 1 1 38 38 TYR CB C 38 38.892 38.892 38.429 0.464 19045 98 1 . 1 1 38 38 TYR H H 38 8.793 8.793 8.126 0.667 19045 99 1 . 1 1 39 39 VAL N N 39 115.951 115.951 117.555 -1.604 19045 100 1 . 1 1 39 39 VAL HA H 39 3.209 3.209 3.223 -0.014 19045 101 1 . 1 1 39 39 VAL CA C 39 65.982 65.982 65.360 0.622 19045 102 1 . 1 1 39 39 VAL CB C 39 30.884 30.884 30.614 0.270 19045 103 1 . 1 1 39 39 VAL H H 39 8.348 8.348 7.951 0.397 19045 104 1 . 1 1 40 40 PHE N N 40 119.608 119.608 121.651 -2.043 19045 105 1 . 1 1 40 40 PHE HA H 40 3.915 3.915 4.050 -0.135 19045 106 1 . 1 1 40 40 PHE CA C 40 61.651 61.651 61.276 0.375 19045 107 1 . 1 1 40 40 PHE CB C 40 39.411 39.411 39.046 0.365 19045 108 1 . 1 1 40 40 PHE H H 40 7.596 7.596 7.953 -0.357 19045 109 1 . 1 1 41 41 TYR N N 41 117.686 117.686 119.448 -1.762 19045 110 1 . 1 1 41 41 TYR HA H 41 3.818 3.818 3.861 -0.043 19045 111 1 . 1 1 41 41 TYR CA C 41 63.446 63.446 60.442 3.004 19045 112 1 . 1 1 41 41 TYR CB C 41 37.528 37.528 37.964 -0.436 19045 113 1 . 1 1 41 41 TYR H H 41 8.578 8.578 8.180 0.398 19045 114 1 . 1 1 42 42 ARG N N 42 121.382 121.382 119.330 2.052 19045 115 1 . 1 1 42 42 ARG HA H 42 3.581 3.581 3.787 -0.206 19045 116 1 . 1 1 42 42 ARG CA C 42 57.999 57.999 59.522 -1.523 19045 117 1 . 1 1 42 42 ARG CB C 42 26.992 26.992 29.941 -2.949 19045 118 1 . 1 1 42 42 ARG H H 42 8.784 8.784 8.000 0.784 19045 119 1 . 1 1 43 43 HIS N N 43 118.684 118.684 118.316 0.368 19045 120 1 . 1 1 43 43 HIS HA H 43 4.291 4.291 4.347 -0.056 19045 121 1 . 1 1 43 43 HIS CA C 43 60.041 60.041 59.124 0.917 19045 122 1 . 1 1 43 43 HIS CB C 43 27.938 27.938 29.668 -1.730 19045 123 1 . 1 1 43 43 HIS H H 43 8.268 8.268 8.092 0.176 19045 124 1 . 1 1 44 44 GLN N N 44 117.841 117.841 119.189 -1.348 19045 125 1 . 1 1 44 44 GLN HA H 44 3.638 3.638 3.795 -0.157 19045 126 1 . 1 1 44 44 GLN CA C 44 58.681 58.681 59.096 -0.415 19045 127 1 . 1 1 44 44 GLN CB C 44 28.977 28.977 28.119 0.858 19045 128 1 . 1 1 44 44 GLN H H 44 7.722 7.722 7.852 -0.130 19045 129 1 . 1 1 45 45 GLN N N 45 117.756 117.756 117.149 0.607 19045 130 1 . 1 1 45 45 GLN HA H 45 3.932 3.932 4.047 -0.115 19045 131 1 . 1 1 45 45 GLN CA C 45 57.923 57.923 58.389 -0.466 19045 132 1 . 1 1 45 45 GLN CB C 45 28.039 28.039 28.547 -0.508 19045 133 1 . 1 1 45 45 GLN H H 45 7.808 7.808 7.612 0.196 19045 134 1 . 1 1 46 46 GLU N N 46 119.876 119.876 119.780 0.096 19045 135 1 . 1 1 46 46 GLU HA H 46 3.951 3.951 3.958 -0.007 19045 136 1 . 1 1 46 46 GLU CA C 46 58.956 58.956 59.248 -0.292 19045 137 1 . 1 1 46 46 GLU CB C 46 29.166 29.166 29.052 0.114 19045 138 1 . 1 1 46 46 GLU H H 46 7.781 7.781 7.747 0.034 19045 139 1 . 1 1 47 47 GLN N N 47 118.282 118.282 117.413 0.869 19045 140 1 . 1 1 47 47 GLN HA H 47 3.800 3.800 4.157 -0.357 19045 141 1 . 1 1 47 47 GLN CA C 47 57.892 57.892 58.203 -0.311 19045 142 1 . 1 1 47 47 GLN CB C 47 28.662 28.662 28.412 0.250 19045 143 1 . 1 1 47 47 GLN H H 47 7.775 7.775 7.834 -0.059 19045 144 1 . 1 1 48 48 GLU N N 48 118.519 118.519 117.593 0.926 19045 145 1 . 1 1 48 48 GLU HA H 48 4.009 4.009 4.114 -0.105 19045 146 1 . 1 1 48 48 GLU CA C 48 57.586 57.586 58.163 -0.577 19045 147 1 . 1 1 48 48 GLU CB C 48 28.922 28.922 29.492 -0.570 19045 148 1 . 1 1 48 48 GLU H H 48 7.721 7.721 7.840 -0.119 19045 149 1 . 1 1 49 49 ALA N N 49 121.657 121.657 122.081 -0.424 19045 150 1 . 1 1 49 49 ALA HA H 49 4.140 4.140 4.218 -0.078 19045 151 1 . 1 1 49 49 ALA CA C 49 53.389 53.389 53.468 -0.079 19045 152 1 . 1 1 49 49 ALA CB C 49 19.111 19.111 19.644 -0.533 19045 153 1 . 1 1 49 49 ALA H H 49 7.675 7.675 7.741 -0.066 19045 154 1 . 1 1 50 50 GLU N N 50 116.803 116.803 115.051 1.752 19045 155 1 . 1 1 50 50 GLU HA H 50 4.182 4.182 4.511 -0.329 19045 156 1 . 1 1 50 50 GLU CA C 50 56.420 56.420 55.017 1.403 19045 157 1 . 1 1 50 50 GLU CB C 50 29.798 29.798 32.309 -2.511 19045 158 1 . 1 1 50 50 GLU H H 50 8.106 8.106 8.121 -0.015 19045 159 1 . 1 1 51 51 GLY N N 51 109.812 109.812 107.316 2.496 19045 160 1 . 1 1 51 51 GLY CA C 51 45.739 45.739 45.123 0.616 19045 161 1 . 1 1 51 51 GLY H H 51 8.060 8.060 8.507 -0.447 19045 162 1 . 1 1 52 52 VAL N N 52 118.668 118.668 116.725 1.943 19045 163 1 . 1 1 52 52 VAL HA H 52 4.001 4.001 4.288 -0.287 19045 164 1 . 1 1 52 52 VAL CA C 52 62.175 62.175 61.426 0.749 19045 165 1 . 1 1 52 52 VAL CB C 52 32.294 32.294 32.812 -0.518 19045 166 1 . 1 1 52 52 VAL H H 52 7.718 7.718 7.515 0.203 19045 167 1 . 1 1 53 53 ALA N N 53 125.624 125.624 124.898 0.726 19045 168 1 . 1 1 53 53 ALA HA H 53 4.220 4.220 4.151 0.069 19045 169 1 . 1 1 53 53 ALA CA C 53 51.869 51.869 52.373 -0.504 19045 170 1 . 1 1 53 53 ALA CB C 53 19.065 19.065 17.813 1.252 19045 171 1 . 1 1 53 53 ALA H H 53 8.073 8.073 8.581 -0.508 19045 172 1 . 1 1 54 54 ALA N N 54 123.638 123.638 122.210 1.428 19045 173 1 . 1 1 54 54 ALA HA H 54 4.472 4.472 4.631 -0.159 19045 174 1 . 1 1 54 54 ALA CA C 54 49.869 49.869 50.460 -0.591 19045 175 1 . 1 1 54 54 ALA CB C 54 18.488 18.488 19.310 -0.822 19045 176 1 . 1 1 54 54 ALA H H 54 7.718 7.718 7.880 -0.162 19045 177 1 . 1 1 55 55 PRO HA H 55 4.292 4.292 4.528 -0.236 19045 178 1 . 1 1 55 55 PRO CA C 55 62.966 62.966 62.913 0.053 19045 179 1 . 1 1 55 55 PRO CB C 55 31.754 31.754 32.542 -0.788 19045 180 1 . 1 1 56 56 ALA N N 56 124.218 124.218 123.369 0.849 19045 181 1 . 1 1 56 56 ALA HA H 56 4.220 4.220 4.331 -0.111 19045 182 1 . 1 1 56 56 ALA CB C 56 19.119 19.119 19.243 -0.124 19045 183 1 . 1 1 56 56 ALA H H 56 8.259 8.259 8.318 -0.059 19045 184 1 . 1 1 57 57 ASP N N 57 120.884 120.884 120.471 0.413 19045 185 1 . 1 1 57 57 ASP HA H 57 4.572 4.572 4.727 -0.155 19045 186 1 . 1 1 57 57 ASP CA C 57 52.742 52.742 53.502 -0.760 19045 187 1 . 1 1 57 57 ASP CB C 57 41.642 41.642 41.002 0.640 19045 188 1 . 1 1 57 57 ASP H H 57 7.829 7.829 8.282 -0.453 19045 189 1 . 1 1 58 58 PRO HA H 58 4.052 4.052 4.433 -0.381 19045 190 1 . 1 1 58 58 PRO CA C 58 64.128 64.128 63.405 0.723 19045 191 1 . 1 1 58 58 PRO CB C 58 31.989 31.989 31.751 0.238 19045 192 1 . 1 1 59 59 GLU HA H 59 4.549 4.549 4.423 0.126 19045 193 1 . 1 1 59 59 GLU CA C 59 54.266 54.266 55.655 -1.389 19045 194 1 . 1 1 59 59 GLU CB C 59 29.285 29.285 31.693 -2.408 19045 195 1 . 1 1 60 60 MET HA H 60 3.846 3.846 4.281 -0.435 19045 196 1 . 1 1 60 60 MET CA C 60 57.219 57.219 58.069 -0.850 19045 197 1 . 1 1 60 60 MET CB C 60 31.894 31.894 32.497 -0.603 19045 198 1 . 1 1 60 60 MET H H 60 7.070 7.070 8.652 -1.582 19045 199 1 . 1 1 61 61 VAL N N 61 113.014 113.014 117.213 -4.199 19045 200 1 . 1 1 61 61 VAL HA H 61 4.051 4.051 3.926 0.125 19045 201 1 . 1 1 61 61 VAL CA C 61 62.799 62.799 63.519 -0.720 19045 202 1 . 1 1 61 61 VAL CB C 61 31.993 31.993 31.488 0.505 19045 203 1 . 1 1 61 61 VAL H H 61 6.833 6.833 8.007 -1.174 19045 204 1 . 1 1 62 62 THR N N 62 110.188 110.188 112.007 -1.819 19045 205 1 . 1 1 62 62 THR HA H 62 4.230 4.230 3.946 0.284 19045 206 1 . 1 1 62 62 THR CA C 62 60.947 60.947 63.504 -2.557 19045 207 1 . 1 1 62 62 THR CB C 62 69.192 69.192 68.694 0.499 19045 208 1 . 1 1 62 62 THR H H 62 7.101 7.101 7.644 -0.543 19045 209 1 . 1 1 63 63 LEU N N 63 125.158 125.158 122.616 2.542 19045 210 1 . 1 1 63 63 LEU HA H 63 4.205 4.205 4.668 -0.463 19045 211 1 . 1 1 63 63 LEU CA C 63 52.688 52.688 51.845 0.843 19045 212 1 . 1 1 63 63 LEU CB C 63 42.252 42.252 42.632 -0.380 19045 213 1 . 1 1 63 63 LEU H H 63 7.079 7.079 8.032 -0.953 19045 214 1 . 1 1 64 64 PRO HA H 64 4.282 4.282 4.407 -0.125 19045 215 1 . 1 1 64 64 PRO CA C 64 62.613 62.613 62.538 0.075 19045 216 1 . 1 1 64 64 PRO CB C 64 30.705 30.705 30.265 0.441 19045 217 1 . 1 1 65 65 LEU N N 65 122.384 122.384 122.310 0.074 19045 218 1 . 1 1 65 65 LEU HA H 65 4.234 4.234 4.466 -0.232 19045 219 1 . 1 1 65 65 LEU CA C 65 54.499 54.499 54.386 0.113 19045 220 1 . 1 1 65 65 LEU CB C 65 43.438 43.438 43.241 0.197 19045 221 1 . 1 1 65 65 LEU H H 65 7.653 7.653 7.672 -0.019 19045 222 1 . 1 1 66 66 GLN N N 66 121.802 121.802 121.635 0.167 19045 223 1 . 1 1 66 66 GLN HA H 66 4.209 4.209 4.753 -0.544 19045 224 1 . 1 1 66 66 GLN CA C 66 52.783 52.783 52.782 0.001 19045 225 1 . 1 1 66 66 GLN CB C 66 28.136 28.136 28.864 -0.728 19045 226 1 . 1 1 66 66 GLN H H 66 8.634 8.634 8.648 -0.014 19045 227 1 . 1 1 67 67 PRO HA H 67 4.139 4.139 4.479 -0.340 19045 228 1 . 1 1 67 67 PRO CA C 67 64.488 64.488 63.901 0.587 19045 229 1 . 1 1 67 67 PRO CB C 67 32.003 32.003 31.917 0.086 19045 230 1 . 1 1 68 68 SER N N 68 111.024 111.024 113.048 -2.024 19045 231 1 . 1 1 68 68 SER HA H 68 4.313 4.313 4.540 -0.227 19045 232 1 . 1 1 68 68 SER CA C 68 57.991 57.991 58.333 -0.343 19045 233 1 . 1 1 68 68 SER CB C 68 63.252 63.252 63.430 -0.178 19045 234 1 . 1 1 68 68 SER H H 68 8.119 8.119 8.213 -0.094 19045 235 1 . 1 1 69 69 SER N N 69 117.598 117.598 116.526 1.072 19045 236 1 . 1 1 69 69 SER HA H 69 4.440 4.440 4.765 -0.325 19045 237 1 . 1 1 69 69 SER CA C 69 57.518 57.518 57.271 0.247 19045 238 1 . 1 1 69 69 SER CB C 69 64.587 64.587 65.158 -0.571 19045 239 1 . 1 1 69 69 SER H H 69 7.723 7.723 7.559 0.164 19045 240 1 . 1 1 70 70 THR N N 70 121.887 121.887 118.809 3.078 19045 241 1 . 1 1 70 70 THR HA H 70 3.873 3.873 4.105 -0.232 19045 242 1 . 1 1 70 70 THR CA C 70 66.723 66.723 65.832 0.891 19045 243 1 . 1 1 70 70 THR CB C 70 68.385 68.385 68.845 -0.460 19045 244 1 . 1 1 70 70 THR H H 70 8.827 8.827 8.718 0.109 19045 245 1 . 1 1 71 71 MET N N 71 117.344 117.344 119.687 -2.343 19045 246 1 . 1 1 71 71 MET HA H 71 4.469 4.469 4.168 0.301 19045 247 1 . 1 1 71 71 MET CA C 71 56.260 56.260 58.721 -2.461 19045 248 1 . 1 1 71 71 MET CB C 71 31.696 31.696 31.546 0.150 19045 249 1 . 1 1 71 71 MET H H 71 8.454 8.454 8.226 0.228 19045 250 1 . 1 1 72 72 GLY N N 72 108.884 108.884 104.414 4.470 19045 251 1 . 1 1 72 72 GLY CA C 72 46.884 46.884 46.801 0.083 19045 252 1 . 1 1 72 72 GLY H H 72 7.979 7.979 8.033 -0.054 19045 253 1 . 1 1 73 73 GLN N N 73 121.522 121.522 120.608 0.914 19045 254 1 . 1 1 73 73 GLN HA H 73 3.857 3.857 4.253 -0.396 19045 255 1 . 1 1 73 73 GLN CA C 73 58.220 58.220 57.910 0.310 19045 256 1 . 1 1 73 73 GLN CB C 73 28.309 28.309 28.502 -0.193 19045 257 1 . 1 1 73 73 GLN H H 73 7.859 7.859 7.683 0.176 19045 258 1 . 1 1 74 74 VAL N N 74 121.291 121.291 121.230 0.061 19045 259 1 . 1 1 74 74 VAL HA H 74 3.359 3.359 3.667 -0.308 19045 260 1 . 1 1 74 74 VAL CA C 74 67.150 67.150 66.641 0.509 19045 261 1 . 1 1 74 74 VAL CB C 74 31.249 31.249 31.368 -0.119 19045 262 1 . 1 1 74 74 VAL H H 74 8.155 8.155 7.810 0.345 19045 263 1 . 1 1 75 75 GLY N N 75 105.037 105.037 106.073 -1.036 19045 264 1 . 1 1 75 75 GLY CA C 75 48.385 48.385 47.293 1.092 19045 265 1 . 1 1 75 75 GLY H H 75 8.154 8.154 7.931 0.223 19045 266 1 . 1 1 76 76 ARG N N 76 119.292 119.292 121.027 -1.735 19045 267 1 . 1 1 76 76 ARG HA H 76 3.320 3.320 3.952 -0.632 19045 268 1 . 1 1 76 76 ARG CA C 76 59.540 59.540 59.651 -0.111 19045 269 1 . 1 1 76 76 ARG CB C 76 30.130 30.130 30.108 0.022 19045 270 1 . 1 1 76 76 ARG H H 76 7.512 7.512 7.520 -0.008 19045 271 1 . 1 1 77 77 GLN N N 77 118.008 118.008 118.879 -0.871 19045 272 1 . 1 1 77 77 GLN HA H 77 3.951 3.951 4.103 -0.152 19045 273 1 . 1 1 77 77 GLN CA C 77 58.337 58.337 58.652 -0.315 19045 274 1 . 1 1 77 77 GLN CB C 77 27.512 27.512 28.069 -0.557 19045 275 1 . 1 1 77 77 GLN H H 77 7.852 7.852 7.718 0.134 19045 276 1 . 1 1 78 78 LEU N N 78 116.018 116.018 119.695 -3.677 19045 277 1 . 1 1 78 78 LEU HA H 78 4.078 4.078 3.962 0.116 19045 278 1 . 1 1 78 78 LEU CA C 78 57.391 57.391 58.070 -0.679 19045 279 1 . 1 1 78 78 LEU CB C 78 40.999 40.999 41.623 -0.624 19045 280 1 . 1 1 78 78 LEU H H 78 8.412 8.412 8.414 -0.002 19045 281 1 . 1 1 79 79 ALA N N 79 120.914 120.914 120.159 0.756 19045 282 1 . 1 1 79 79 ALA HA H 79 3.896 3.896 4.072 -0.176 19045 283 1 . 1 1 79 79 ALA CA C 79 54.789 54.789 54.839 -0.050 19045 284 1 . 1 1 79 79 ALA CB C 79 17.880 17.880 18.256 -0.376 19045 285 1 . 1 1 79 79 ALA H H 79 7.789 7.789 8.158 -0.369 19045 286 1 . 1 1 80 80 ILE N N 80 117.984 117.984 117.992 -0.008 19045 287 1 . 1 1 80 80 ILE HA H 80 3.895 3.895 3.859 0.036 19045 288 1 . 1 1 80 80 ILE CA C 80 63.576 63.576 64.587 -1.011 19045 289 1 . 1 1 80 80 ILE CB C 80 38.607 38.607 38.552 0.055 19045 290 1 . 1 1 80 80 ILE H H 80 7.690 7.690 7.489 0.201 19045 291 1 . 1 1 81 81 ILE HA H 81 3.984 3.984 3.946 0.038 19045 292 1 . 1 1 81 81 ILE CA C 81 63.608 63.608 63.927 -0.319 19045 293 1 . 1 1 81 81 ILE CB C 81 37.587 37.587 37.409 0.178 19045 294 1 . 1 1 81 81 ILE H H 81 7.910 7.910 8.153 -0.243 19045 295 1 . 1 1 82 82 GLY CA C 82 45.566 45.566 44.717 0.849 19045 296 1 . 1 1 82 82 GLY H H 82 7.765 7.765 8.251 -0.486 19045 297 1 . 1 1 83 83 ASP N N 83 119.914 119.914 123.030 -3.116 19045 298 1 . 1 1 83 83 ASP HA H 83 4.332 4.332 4.386 -0.054 19045 299 1 . 1 1 83 83 ASP CA C 83 58.161 58.161 57.975 0.186 19045 300 1 . 1 1 83 83 ASP CB C 83 41.771 41.771 41.153 0.618 19045 301 1 . 1 1 83 83 ASP H H 83 7.400 7.400 7.779 -0.379 19045 302 1 . 1 1 84 84 ASP N N 84 116.566 116.566 119.349 -2.783 19045 303 1 . 1 1 84 84 ASP HA H 84 4.200 4.200 4.415 -0.215 19045 304 1 . 1 1 84 84 ASP CA C 84 57.270 57.270 57.438 -0.168 19045 305 1 . 1 1 84 84 ASP CB C 84 40.593 40.593 40.467 0.126 19045 306 1 . 1 1 84 84 ASP H H 84 8.523 8.523 8.230 0.293 19045 307 1 . 1 1 85 85 ILE N N 85 120.454 120.454 119.175 1.279 19045 308 1 . 1 1 85 85 ILE HA H 85 3.753 3.753 3.828 -0.075 19045 309 1 . 1 1 85 85 ILE CA C 85 63.782 63.782 64.698 -0.915 19045 310 1 . 1 1 85 85 ILE CB C 85 37.546 37.546 37.228 0.318 19045 311 1 . 1 1 85 85 ILE H H 85 7.707 7.707 8.050 -0.343 19045 312 1 . 1 1 86 86 ASN N N 86 118.583 118.583 118.970 -0.387 19045 313 1 . 1 1 86 86 ASN HA H 86 4.472 4.472 4.504 -0.032 19045 314 1 . 1 1 86 86 ASN CA C 86 56.087 56.087 56.373 -0.286 19045 315 1 . 1 1 86 86 ASN CB C 86 37.614 37.614 38.556 -0.942 19045 316 1 . 1 1 86 86 ASN H H 86 8.440 8.440 8.211 0.229 19045 317 1 . 1 1 87 87 ARG N N 87 117.819 117.819 118.389 -0.570 19045 318 1 . 1 1 87 87 ARG HA H 87 4.043 4.043 4.031 0.012 19045 319 1 . 1 1 87 87 ARG CA C 87 59.035 59.035 58.723 0.312 19045 320 1 . 1 1 87 87 ARG CB C 87 29.845 29.845 29.750 0.095 19045 321 1 . 1 1 87 87 ARG H H 87 8.214 8.214 7.982 0.232 19045 322 1 . 1 1 88 88 ARG N N 88 117.971 117.971 119.446 -1.475 19045 323 1 . 1 1 88 88 ARG HA H 88 3.965 3.965 4.010 -0.045 19045 324 1 . 1 1 88 88 ARG CA C 88 58.161 58.161 59.200 -1.039 19045 325 1 . 1 1 88 88 ARG CB C 88 30.376 30.376 30.605 -0.229 19045 326 1 . 1 1 88 88 ARG H H 88 7.438 7.438 8.051 -0.613 19045 327 1 . 1 1 89 89 TYR N N 89 114.591 114.591 114.410 0.181 19045 328 1 . 1 1 89 89 TYR HA H 89 4.753 4.753 4.695 0.058 19045 329 1 . 1 1 89 89 TYR CA C 89 59.481 59.481 58.193 1.288 19045 330 1 . 1 1 89 89 TYR CB C 89 39.610 39.610 37.884 1.726 19045 331 1 . 1 1 89 89 TYR H H 89 7.635 7.635 8.205 -0.570 19045 332 1 . 1 1 90 90 ASP HA H 90 4.820 4.820 4.569 0.251 19045 333 1 . 1 1 90 90 ASP CA C 90 58.200 58.200 56.952 1.248 19045 334 1 . 1 1 90 90 ASP CB C 90 41.407 41.407 41.002 0.405 19045 335 1 . 1 1 90 90 ASP H H 90 8.282 8.282 7.791 0.491 19045 336 1 . 1 1 91 91 SER N N 91 115.266 115.266 115.632 -0.366 19045 337 1 . 1 1 91 91 SER HA H 91 4.170 4.170 4.241 -0.071 19045 338 1 . 1 1 91 91 SER CA C 91 61.780 61.780 61.999 -0.219 19045 339 1 . 1 1 91 91 SER CB C 91 61.891 61.891 63.118 -1.227 19045 340 1 . 1 1 91 91 SER H H 91 8.717 8.717 8.072 0.645 19045 341 1 . 1 1 92 92 GLU N N 92 122.093 122.093 120.730 1.363 19045 342 1 . 1 1 92 92 GLU HA H 92 4.056 4.056 4.156 -0.101 19045 343 1 . 1 1 92 92 GLU CA C 92 58.928 58.928 58.721 0.207 19045 344 1 . 1 1 92 92 GLU CB C 92 29.796 29.796 29.312 0.484 19045 345 1 . 1 1 92 92 GLU H H 92 8.025 8.025 8.489 -0.464 19045 346 1 . 1 1 93 93 PHE HA H 93 4.171 4.171 4.311 -0.140 19045 347 1 . 1 1 93 93 PHE CA C 93 60.704 60.704 60.470 0.234 19045 348 1 . 1 1 93 93 PHE CB C 93 38.780 38.780 39.711 -0.931 19045 349 1 . 1 1 93 93 PHE H H 93 7.801 7.801 7.846 -0.045 19045 350 1 . 1 1 94 94 GLN N N 94 118.578 118.578 118.827 -0.249 19045 351 1 . 1 1 94 94 GLN HA H 94 3.847 3.847 3.904 -0.057 19045 352 1 . 1 1 94 94 GLN CA C 94 59.981 59.981 59.183 0.798 19045 353 1 . 1 1 94 94 GLN CB C 94 28.415 28.415 28.371 0.044 19045 354 1 . 1 1 94 94 GLN H H 94 8.609 8.609 8.520 0.089 19045 355 1 . 1 1 95 95 THR N N 95 116.128 116.128 116.909 -0.781 19045 356 1 . 1 1 95 95 THR HA H 95 3.811 3.811 3.949 -0.138 19045 357 1 . 1 1 95 95 THR CA C 95 66.391 66.391 66.500 -0.109 19045 358 1 . 1 1 95 95 THR CB C 95 68.361 68.361 68.683 -0.322 19045 359 1 . 1 1 95 95 THR H H 95 7.826 7.826 7.896 -0.070 19045 360 1 . 1 1 96 96 MET N N 96 120.474 120.474 117.877 2.598 19045 361 1 . 1 1 96 96 MET HA H 96 3.933 3.933 3.636 0.297 19045 362 1 . 1 1 96 96 MET CA C 96 59.949 59.949 57.845 2.104 19045 363 1 . 1 1 96 96 MET CB C 96 33.087 33.087 32.003 1.084 19045 364 1 . 1 1 96 96 MET H H 96 7.728 7.728 7.409 0.319 19045 365 1 . 1 1 97 97 LEU N N 97 118.904 118.904 121.221 -2.317 19045 366 1 . 1 1 97 97 LEU HA H 97 3.604 3.604 3.698 -0.094 19045 367 1 . 1 1 97 97 LEU CA C 97 57.771 57.771 57.660 0.111 19045 368 1 . 1 1 97 97 LEU CB C 97 40.836 40.836 40.641 0.195 19045 369 1 . 1 1 97 97 LEU H H 97 8.112 8.112 7.771 0.341 19045 370 1 . 1 1 98 98 GLN N N 98 116.798 116.798 116.623 0.175 19045 371 1 . 1 1 98 98 GLN HA H 98 4.003 4.003 4.123 -0.120 19045 372 1 . 1 1 98 98 GLN CA C 98 58.337 58.337 58.210 0.127 19045 373 1 . 1 1 98 98 GLN CB C 98 27.659 27.659 28.690 -1.031 19045 374 1 . 1 1 98 98 GLN H H 98 7.754 7.754 7.918 -0.164 19045 375 1 . 1 1 99 99 HIS N N 99 115.943 115.943 116.714 -0.771 19045 376 1 . 1 1 99 99 HIS HA H 99 4.442 4.442 4.351 0.091 19045 377 1 . 1 1 99 99 HIS CA C 99 57.025 57.025 57.026 -0.001 19045 378 1 . 1 1 99 99 HIS CB C 99 28.848 28.848 30.120 -1.272 19045 379 1 . 1 1 99 99 HIS H H 99 7.504 7.504 7.656 -0.152 19045 380 1 . 1 1 100 100 LEU N N 100 121.347 121.347 120.059 1.288 19045 381 1 . 1 1 100 100 LEU HA H 100 3.803 3.803 4.000 -0.197 19045 382 1 . 1 1 100 100 LEU CA C 100 56.801 56.801 56.593 0.208 19045 383 1 . 1 1 100 100 LEU CB C 100 42.563 42.563 42.616 -0.053 19045 384 1 . 1 1 100 100 LEU H H 100 8.013 8.013 7.557 0.456 19045 385 1 . 1 1 101 101 GLN N N 101 110.029 110.029 114.685 -4.656 19045 386 1 . 1 1 101 101 GLN HA H 101 4.003 4.003 4.114 -0.111 19045 387 1 . 1 1 101 101 GLN CA C 101 55.685 55.685 55.612 0.073 19045 388 1 . 1 1 101 101 GLN CB C 101 27.301 27.301 26.453 0.848 19045 389 1 . 1 1 101 101 GLN H H 101 7.763 7.763 7.820 -0.057 19045 390 1 . 1 1 102 102 PRO HA H 102 4.926 4.926 4.407 0.519 19045 391 1 . 1 1 102 102 PRO CA C 102 62.372 62.372 62.959 -0.587 19045 392 1 . 1 1 102 102 PRO CB C 102 31.963 31.963 32.557 -0.594 19045 393 1 . 1 1 103 103 THR N N 103 114.119 114.119 107.172 6.947 19045 394 1 . 1 1 103 103 THR HA H 103 4.420 4.420 4.548 -0.128 19045 395 1 . 1 1 103 103 THR CA C 103 58.716 58.716 59.538 -0.822 19045 396 1 . 1 1 103 103 THR CB C 103 72.929 72.929 71.881 1.048 19045 397 1 . 1 1 103 103 THR H H 103 9.386 9.386 8.087 1.299 19045 398 1 . 1 1 104 104 ALA N N 104 120.374 120.374 121.712 -1.338 19045 399 1 . 1 1 104 104 ALA HA H 104 3.737 3.737 4.427 -0.690 19045 400 1 . 1 1 104 104 ALA CA C 104 54.782 54.782 54.307 0.475 19045 401 1 . 1 1 104 104 ALA CB C 104 18.050 18.050 18.419 -0.369 19045 402 1 . 1 1 104 104 ALA H H 104 8.723 8.723 8.473 0.250 19045 403 1 . 1 1 105 105 GLU N N 105 113.834 113.834 115.728 -1.894 19045 404 1 . 1 1 105 105 GLU HA H 105 4.122 4.122 4.300 -0.178 19045 405 1 . 1 1 105 105 GLU CA C 105 58.707 58.707 58.641 0.066 19045 406 1 . 1 1 105 105 GLU CB C 105 29.445 29.445 29.462 -0.017 19045 407 1 . 1 1 105 105 GLU H H 105 7.969 7.969 8.457 -0.488 19045 408 1 . 1 1 106 106 ASN N N 106 114.135 114.135 117.029 -2.894 19045 409 1 . 1 1 106 106 ASN HA H 106 4.781 4.781 4.327 0.454 19045 410 1 . 1 1 106 106 ASN CA C 106 52.222 52.222 52.372 -0.150 19045 411 1 . 1 1 106 106 ASN CB C 106 38.983 38.983 38.585 0.398 19045 412 1 . 1 1 106 106 ASN H H 106 7.151 7.151 7.781 -0.630 19045 413 1 . 1 1 107 107 ALA N N 107 121.280 121.280 123.625 -2.345 19045 414 1 . 1 1 107 107 ALA HA H 107 3.858 3.858 4.118 -0.260 19045 415 1 . 1 1 107 107 ALA CA C 107 56.988 56.988 55.636 1.352 19045 416 1 . 1 1 107 107 ALA CB C 107 18.278 18.278 18.812 -0.534 19045 417 1 . 1 1 107 107 ALA H H 107 7.940 7.940 7.582 0.358 19045 418 1 . 1 1 108 108 TYR N N 108 117.339 117.339 115.724 1.615 19045 419 1 . 1 1 108 108 TYR HA H 108 3.048 3.048 3.923 -0.875 19045 420 1 . 1 1 108 108 TYR CA C 108 60.578 60.578 59.919 0.659 19045 421 1 . 1 1 108 108 TYR CB C 108 36.804 36.804 36.598 0.206 19045 422 1 . 1 1 108 108 TYR H H 108 8.783 8.783 7.859 0.924 19045 423 1 . 1 1 109 109 GLU N N 109 123.316 123.316 120.962 2.354 19045 424 1 . 1 1 109 109 GLU HA H 109 3.681 3.681 3.736 -0.055 19045 425 1 . 1 1 109 109 GLU CA C 109 59.152 59.152 58.704 0.448 19045 426 1 . 1 1 109 109 GLU CB C 109 28.782 28.782 28.640 0.142 19045 427 1 . 1 1 109 109 GLU H H 109 8.084 8.084 7.378 0.706 19045 428 1 . 1 1 110 110 TYR N N 110 117.254 117.254 117.515 -0.261 19045 429 1 . 1 1 110 110 TYR HA H 110 4.339 4.339 4.320 0.019 19045 430 1 . 1 1 110 110 TYR CA C 110 58.527 58.527 59.664 -1.137 19045 431 1 . 1 1 110 110 TYR CB C 110 36.323 36.323 38.352 -2.029 19045 432 1 . 1 1 110 110 TYR H H 110 8.282 8.282 7.665 0.617 19045 433 1 . 1 1 111 111 PHE N N 111 119.028 119.028 120.887 -1.859 19045 434 1 . 1 1 111 111 PHE HA H 111 3.889 3.889 4.178 -0.289 19045 435 1 . 1 1 111 111 PHE CA C 111 62.350 62.350 61.273 1.077 19045 436 1 . 1 1 111 111 PHE CB C 111 39.369 39.369 39.123 0.246 19045 437 1 . 1 1 111 111 PHE H H 111 9.197 9.197 8.804 0.393 19045 438 1 . 1 1 112 112 THR N N 112 113.669 113.669 112.262 1.407 19045 439 1 . 1 1 112 112 THR HA H 112 3.411 3.411 3.183 0.228 19045 440 1 . 1 1 112 112 THR CA C 112 67.185 67.185 66.359 0.826 19045 441 1 . 1 1 112 112 THR CB C 112 68.294 68.294 68.163 0.131 19045 442 1 . 1 1 112 112 THR H H 112 8.315 8.315 8.501 -0.186 19045 443 1 . 1 1 113 113 LYS N N 113 124.090 124.090 122.120 1.970 19045 444 1 . 1 1 113 113 LYS HA H 113 3.854 3.854 4.096 -0.242 19045 445 1 . 1 1 113 113 LYS CA C 113 60.416 60.416 58.936 1.480 19045 446 1 . 1 1 113 113 LYS CB C 113 33.219 33.219 32.131 1.088 19045 447 1 . 1 1 113 113 LYS H H 113 8.335 8.335 7.280 1.055 19045 448 1 . 1 1 114 114 ILE N N 114 120.457 120.457 119.558 0.899 19045 449 1 . 1 1 114 114 ILE HA H 114 3.145 3.145 3.662 -0.517 19045 450 1 . 1 1 114 114 ILE CA C 114 65.550 65.550 63.253 2.297 19045 451 1 . 1 1 114 114 ILE CB C 114 37.402 37.402 36.180 1.222 19045 452 1 . 1 1 114 114 ILE H H 114 8.042 8.042 7.841 0.200 19045 453 1 . 1 1 115 115 ALA N N 115 121.066 121.066 122.379 -1.313 19045 454 1 . 1 1 115 115 ALA HA H 115 3.219 3.219 3.935 -0.716 19045 455 1 . 1 1 115 115 ALA CA C 115 54.940 54.940 55.408 -0.468 19045 456 1 . 1 1 115 115 ALA CB C 115 16.345 16.345 17.486 -1.141 19045 457 1 . 1 1 115 115 ALA H H 115 8.208 8.208 8.040 0.168 19045 458 1 . 1 1 116 116 THR N N 116 112.803 112.803 115.290 -2.487 19045 459 1 . 1 1 116 116 THR HA H 116 3.808 3.808 4.247 -0.439 19045 460 1 . 1 1 116 116 THR CA C 116 67.557 67.557 66.377 1.181 19045 461 1 . 1 1 116 116 THR CB C 116 68.431 68.431 68.696 -0.265 19045 462 1 . 1 1 116 116 THR H H 116 7.893 7.893 7.875 0.018 19045 463 1 . 1 1 117 117 SER N N 117 115.935 115.935 115.783 0.152 19045 464 1 . 1 1 117 117 SER HA H 117 4.070 4.070 4.341 -0.271 19045 465 1 . 1 1 117 117 SER CA C 117 61.879 61.879 61.356 0.523 19045 466 1 . 1 1 117 117 SER CB C 117 62.907 62.907 63.316 -0.409 19045 467 1 . 1 1 117 117 SER H H 117 7.139 7.139 7.878 -0.739 19045 468 1 . 1 1 118 118 LEU N N 118 123.462 123.462 123.252 0.210 19045 469 1 . 1 1 118 118 LEU HA H 118 3.596 3.596 3.920 -0.324 19045 470 1 . 1 1 118 118 LEU CA C 118 58.014 58.014 57.459 0.555 19045 471 1 . 1 1 118 118 LEU CB C 118 41.687 41.687 42.115 -0.428 19045 472 1 . 1 1 118 118 LEU H H 118 7.844 7.844 7.700 0.144 19045 473 1 . 1 1 119 119 PHE N N 119 110.270 110.270 113.655 -3.385 19045 474 1 . 1 1 119 119 PHE HA H 119 4.721 4.721 4.693 0.028 19045 475 1 . 1 1 119 119 PHE CA C 119 58.698 58.698 57.878 0.820 19045 476 1 . 1 1 119 119 PHE CB C 119 38.838 38.838 37.974 0.864 19045 477 1 . 1 1 119 119 PHE H H 119 6.878 6.878 8.407 -1.529 19045 478 1 . 1 1 120 120 GLU N N 120 123.135 123.135 119.428 3.707 19045 479 1 . 1 1 120 120 GLU HA H 120 4.016 4.016 4.188 -0.172 19045 480 1 . 1 1 120 120 GLU CA C 120 59.532 59.532 58.564 0.968 19045 481 1 . 1 1 120 120 GLU CB C 120 29.337 29.337 29.750 -0.413 19045 482 1 . 1 1 120 120 GLU H H 120 7.551 7.551 7.798 -0.247 19045 483 1 . 1 1 121 121 SER N N 121 107.983 107.983 113.761 -5.779 19045 484 1 . 1 1 121 121 SER HA H 121 4.522 4.522 4.462 0.060 19045 485 1 . 1 1 121 121 SER CA C 121 57.342 57.342 59.266 -1.925 19045 486 1 . 1 1 121 121 SER CB C 121 63.353 63.353 64.325 -0.972 19045 487 1 . 1 1 121 121 SER H H 121 7.712 7.712 8.107 -0.396 19045 488 1 . 1 1 122 122 GLY N N 122 110.748 110.748 107.724 3.024 19045 489 1 . 1 1 122 122 GLY CA C 122 44.419 44.419 44.949 -0.530 19045 490 1 . 1 1 122 122 GLY H H 122 7.317 7.317 7.799 -0.482 19045 491 1 . 1 1 123 123 ILE N N 123 117.061 117.061 119.286 -2.225 19045 492 1 . 1 1 123 123 ILE HA H 123 3.724 3.724 4.250 -0.526 19045 493 1 . 1 1 123 123 ILE CA C 123 61.383 61.383 60.302 1.081 19045 494 1 . 1 1 123 123 ILE CB C 123 40.588 40.588 39.341 1.247 19045 495 1 . 1 1 123 123 ILE H H 123 7.963 7.963 8.222 -0.259 19045 496 1 . 1 1 124 124 ASN N N 124 117.915 117.915 122.234 -4.319 19045 497 1 . 1 1 124 124 ASN HA H 124 4.204 4.204 4.878 -0.674 19045 498 1 . 1 1 124 124 ASN CA C 124 51.886 51.886 52.317 -0.431 19045 499 1 . 1 1 124 124 ASN CB C 124 39.033 39.033 41.139 -2.107 19045 500 1 . 1 1 124 124 ASN H H 124 6.434 6.434 7.913 -1.479 19045 501 1 . 1 1 125 125 TRP N N 125 119.673 119.673 123.365 -3.692 19045 502 1 . 1 1 125 125 TRP HA H 125 4.470 4.470 4.549 -0.079 19045 503 1 . 1 1 125 125 TRP CA C 125 61.257 61.257 60.999 0.258 19045 504 1 . 1 1 125 125 TRP CB C 125 30.287 30.287 29.650 0.637 19045 505 1 . 1 1 125 125 TRP H H 125 8.824 8.824 9.104 -0.280 19045 506 1 . 1 1 126 126 GLY N N 126 107.516 107.516 106.007 1.509 19045 507 1 . 1 1 126 126 GLY CA C 126 48.294 48.294 47.263 1.031 19045 508 1 . 1 1 126 126 GLY H H 126 9.118 9.118 8.659 0.459 19045 509 1 . 1 1 127 127 ARG N N 127 119.610 119.610 122.003 -2.393 19045 510 1 . 1 1 127 127 ARG HA H 127 3.742 3.742 3.970 -0.228 19045 511 1 . 1 1 127 127 ARG CA C 127 59.551 59.551 58.987 0.564 19045 512 1 . 1 1 127 127 ARG CB C 127 31.163 31.163 29.830 1.333 19045 513 1 . 1 1 127 127 ARG H H 127 8.616 8.616 7.652 0.964 19045 514 1 . 1 1 128 128 VAL N N 128 120.289 120.289 119.786 0.503 19045 515 1 . 1 1 128 128 VAL HA H 128 3.662 3.662 3.971 -0.309 19045 516 1 . 1 1 128 128 VAL CA C 128 68.387 68.387 66.725 1.662 19045 517 1 . 1 1 128 128 VAL CB C 128 31.127 31.127 31.433 -0.306 19045 518 1 . 1 1 128 128 VAL H H 128 7.762 7.762 8.042 -0.280 19045 519 1 . 1 1 129 129 VAL N N 129 119.577 119.577 118.594 0.983 19045 520 1 . 1 1 129 129 VAL HA H 129 3.449 3.449 3.636 -0.187 19045 521 1 . 1 1 129 129 VAL CA C 129 67.772 67.772 66.455 1.317 19045 522 1 . 1 1 129 129 VAL CB C 129 30.918 30.918 30.928 -0.010 19045 523 1 . 1 1 129 129 VAL H H 129 8.433 8.433 7.915 0.518 19045 524 1 . 1 1 130 130 ALA N N 130 123.330 123.330 123.480 -0.150 19045 525 1 . 1 1 130 130 ALA HA H 130 4.069 4.069 4.119 -0.050 19045 526 1 . 1 1 130 130 ALA CA C 130 54.978 54.978 55.206 -0.228 19045 527 1 . 1 1 130 130 ALA CB C 130 17.446 17.446 18.381 -0.934 19045 528 1 . 1 1 130 130 ALA H H 130 8.766 8.766 8.022 0.744 19045 529 1 . 1 1 131 131 LEU N N 131 120.040 120.040 119.667 0.373 19045 530 1 . 1 1 131 131 LEU HA H 131 3.961 3.961 4.520 -0.559 19045 531 1 . 1 1 131 131 LEU CA C 131 58.353 58.353 58.497 -0.144 19045 532 1 . 1 1 131 131 LEU CB C 131 40.750 40.750 42.347 -1.597 19045 533 1 . 1 1 131 131 LEU H H 131 8.178 8.178 8.243 -0.065 19045 534 1 . 1 1 132 132 LEU N N 132 119.150 119.150 117.361 1.789 19045 535 1 . 1 1 132 132 LEU HA H 132 3.952 3.952 4.320 -0.368 19045 536 1 . 1 1 132 132 LEU CA C 132 58.620 58.620 57.632 0.988 19045 537 1 . 1 1 132 132 LEU CB C 132 38.835 38.835 40.925 -2.090 19045 538 1 . 1 1 132 132 LEU H H 132 7.927 7.927 7.607 0.320 19045 539 1 . 1 1 133 133 GLY N N 133 107.066 107.066 108.337 -1.271 19045 540 1 . 1 1 133 133 GLY CA C 133 48.339 48.339 47.715 0.624 19045 541 1 . 1 1 133 133 GLY H H 133 8.752 8.752 8.373 0.379 19045 542 1 . 1 1 134 134 PHE N N 134 123.521 123.521 121.248 2.273 19045 543 1 . 1 1 134 134 PHE HA H 134 4.601 4.601 4.590 0.011 19045 544 1 . 1 1 134 134 PHE CA C 134 59.884 59.884 58.295 1.589 19045 545 1 . 1 1 134 134 PHE CB C 134 38.622 38.622 38.413 0.209 19045 546 1 . 1 1 134 134 PHE H H 134 8.606 8.606 8.509 0.097 19045 547 1 . 1 1 135 135 GLY N N 135 106.412 106.412 109.406 -2.994 19045 548 1 . 1 1 135 135 GLY CA C 135 47.731 47.731 47.143 0.588 19045 549 1 . 1 1 135 135 GLY H H 135 8.715 8.715 7.809 0.906 19045 550 1 . 1 1 136 136 TYR N N 136 121.461 121.461 123.179 -1.718 19045 551 1 . 1 1 136 136 TYR HA H 136 4.116 4.116 4.289 -0.173 19045 552 1 . 1 1 136 136 TYR CA C 136 61.564 61.564 61.134 0.430 19045 553 1 . 1 1 136 136 TYR CB C 136 38.469 38.469 38.608 -0.139 19045 554 1 . 1 1 136 136 TYR H H 136 8.809 8.809 8.119 0.690 19045 555 1 . 1 1 137 137 ARG N N 137 117.518 117.518 119.333 -1.815 19045 556 1 . 1 1 137 137 ARG HA H 137 3.647 3.647 4.049 -0.402 19045 557 1 . 1 1 137 137 ARG CA C 137 58.904 58.904 59.516 -0.612 19045 558 1 . 1 1 137 137 ARG CB C 137 29.189 29.189 30.044 -0.855 19045 559 1 . 1 1 137 137 ARG H H 137 8.646 8.646 7.783 0.863 19045 560 1 . 1 1 138 138 LEU N N 138 121.658 121.658 119.805 1.853 19045 561 1 . 1 1 138 138 LEU HA H 138 3.905 3.905 4.170 -0.265 19045 562 1 . 1 1 138 138 LEU CA C 138 58.454 58.454 58.157 0.296 19045 563 1 . 1 1 138 138 LEU CB C 138 41.801 41.801 42.019 -0.218 19045 564 1 . 1 1 138 138 LEU H H 138 9.065 9.065 8.398 0.667 19045 565 1 . 1 1 139 139 ALA N N 139 120.012 120.012 120.897 -0.885 19045 566 1 . 1 1 139 139 ALA HA H 139 4.004 4.004 4.279 -0.275 19045 567 1 . 1 1 139 139 ALA CA C 139 55.174 55.174 54.922 0.252 19045 568 1 . 1 1 139 139 ALA CB C 139 17.943 17.943 18.639 -0.696 19045 569 1 . 1 1 139 139 ALA H H 139 8.237 8.237 7.923 0.314 19045 570 1 . 1 1 140 140 LEU N N 140 119.522 119.522 119.586 -0.064 19045 571 1 . 1 1 140 140 LEU HA H 140 4.000 4.000 4.115 -0.115 19045 572 1 . 1 1 140 140 LEU CA C 140 57.805 57.805 57.655 0.150 19045 573 1 . 1 1 140 140 LEU CB C 140 42.324 42.324 41.910 0.414 19045 574 1 . 1 1 140 140 LEU H H 140 8.191 8.191 8.190 0.001 19045 575 1 . 1 1 141 141 HIS N N 141 117.834 117.834 117.392 0.442 19045 576 1 . 1 1 141 141 HIS HA H 141 4.183 4.183 4.391 -0.208 19045 577 1 . 1 1 141 141 HIS CA C 141 60.960 60.960 59.663 1.297 19045 578 1 . 1 1 141 141 HIS CB C 141 31.708 31.708 30.519 1.189 19045 579 1 . 1 1 141 141 HIS H H 141 8.253 8.253 8.238 0.015 19045 580 1 . 1 1 142 142 VAL N N 142 113.700 113.700 115.876 -2.175 19045 581 1 . 1 1 142 142 VAL HA H 142 3.887 3.887 4.142 -0.255 19045 582 1 . 1 1 142 142 VAL CA C 142 65.948 65.948 63.312 2.636 19045 583 1 . 1 1 142 142 VAL CB C 142 30.264 30.264 32.234 -1.970 19045 584 1 . 1 1 142 142 VAL H H 142 8.455 8.455 7.502 0.953 19045 585 1 . 1 1 143 143 TYR N N 143 123.307 123.307 121.537 1.770 19045 586 1 . 1 1 143 143 TYR HA H 143 4.320 4.320 4.126 0.194 19045 587 1 . 1 1 143 143 TYR CA C 143 61.934 61.934 61.322 0.612 19045 588 1 . 1 1 143 143 TYR CB C 143 38.779 38.779 38.423 0.356 19045 589 1 . 1 1 143 143 TYR H H 143 7.750 7.750 8.200 -0.450 19045 590 1 . 1 1 144 144 GLN N N 144 118.560 118.560 117.134 1.426 19045 591 1 . 1 1 144 144 GLN HA H 144 3.686 3.686 3.806 -0.120 19045 592 1 . 1 1 144 144 GLN CA C 144 58.055 58.055 58.253 -0.198 19045 593 1 . 1 1 144 144 GLN CB C 144 27.859 27.859 28.297 -0.438 19045 594 1 . 1 1 144 144 GLN H H 144 8.486 8.486 8.077 0.409 19045 595 1 . 1 1 145 145 HIS N N 145 114.312 114.312 116.412 -2.100 19045 596 1 . 1 1 145 145 HIS HA H 145 4.330 4.330 4.374 -0.043 19045 597 1 . 1 1 145 145 HIS CA C 145 56.178 56.178 57.343 -1.165 19045 598 1 . 1 1 145 145 HIS CB C 145 27.751 27.751 30.620 -2.869 19045 599 1 . 1 1 145 145 HIS H H 145 7.350 7.350 7.563 -0.213 19045 600 1 . 1 1 146 146 GLY N N 146 106.537 106.537 106.611 -0.074 19045 601 1 . 1 1 146 146 GLY CA C 146 45.715 45.715 44.849 0.866 19045 602 1 . 1 1 146 146 GLY H H 146 7.471 7.471 7.503 -0.032 19045 603 1 . 1 1 147 147 LEU N N 147 123.302 123.302 122.658 0.644 19045 604 1 . 1 1 147 147 LEU HA H 147 4.496 4.496 4.547 -0.051 19045 605 1 . 1 1 147 147 LEU CA C 147 54.259 54.259 54.468 -0.209 19045 606 1 . 1 1 147 147 LEU CB C 147 41.033 41.033 43.723 -2.690 19045 607 1 . 1 1 147 147 LEU H H 147 7.933 7.933 7.861 0.072 19045 608 1 . 1 1 148 148 THR HA H 148 4.523 4.523 4.395 0.128 19045 609 1 . 1 1 148 148 THR CA C 148 61.027 61.027 62.538 -1.511 19045 610 1 . 1 1 148 148 THR CB C 148 70.359 70.359 68.786 1.573 19045 611 1 . 1 1 149 149 GLY CA C 149 47.016 47.016 45.254 1.762 19045 612 1 . 1 1 149 149 GLY H H 149 8.458 8.458 8.500 -0.042 19045 613 1 . 1 1 150 150 PHE N N 150 123.408 123.408 122.068 1.340 19045 614 1 . 1 1 150 150 PHE HA H 150 4.555 4.555 4.695 -0.140 19045 615 1 . 1 1 150 150 PHE CA C 150 57.964 57.964 57.565 0.399 19045 616 1 . 1 1 150 150 PHE CB C 150 42.911 42.911 40.132 2.779 19045 617 1 . 1 1 150 150 PHE H H 150 9.331 9.331 8.323 1.008 19045 618 1 . 1 1 151 151 LEU N N 151 123.032 123.032 120.484 2.548 19045 619 1 . 1 1 151 151 LEU HA H 151 3.859 3.859 3.923 -0.064 19045 620 1 . 1 1 151 151 LEU CA C 151 58.454 58.454 58.579 -0.125 19045 621 1 . 1 1 151 151 LEU CB C 151 40.948 40.948 40.197 0.751 19045 622 1 . 1 1 151 151 LEU H H 151 8.470 8.470 7.969 0.501 19045 623 1 . 1 1 152 152 GLY N N 152 108.386 108.386 105.179 3.207 19045 624 1 . 1 1 152 152 GLY CA C 152 46.676 46.676 47.194 -0.518 19045 625 1 . 1 1 152 152 GLY H H 152 8.577 8.577 8.470 0.107 19045 626 1 . 1 1 153 153 GLN N N 153 122.055 122.055 120.932 1.123 19045 627 1 . 1 1 153 153 GLN HA H 153 3.532 3.532 3.521 0.011 19045 628 1 . 1 1 153 153 GLN CA C 153 57.844 57.844 57.907 -0.063 19045 629 1 . 1 1 153 153 GLN CB C 153 26.442 26.442 27.496 -1.054 19045 630 1 . 1 1 153 153 GLN H H 153 7.106 7.106 7.743 -0.637 19045 631 1 . 1 1 154 154 VAL N N 154 116.706 116.706 119.656 -2.950 19045 632 1 . 1 1 154 154 VAL HA H 154 2.428 2.428 3.425 -0.997 19045 633 1 . 1 1 154 154 VAL CA C 154 66.089 66.089 66.344 -0.255 19045 634 1 . 1 1 154 154 VAL CB C 154 31.463 31.463 30.883 0.580 19045 635 1 . 1 1 154 154 VAL H H 154 7.033 7.033 8.093 -1.060 19045 636 1 . 1 1 155 155 THR N N 155 114.165 114.165 115.462 -1.297 19045 637 1 . 1 1 155 155 THR HA H 155 3.317 3.317 3.373 -0.056 19045 638 1 . 1 1 155 155 THR CA C 155 67.050 67.050 66.556 0.494 19045 639 1 . 1 1 155 155 THR CB C 155 68.307 68.307 68.167 0.140 19045 640 1 . 1 1 155 155 THR H H 155 7.860 7.860 7.976 -0.116 19045 641 1 . 1 1 156 156 ARG N N 156 119.890 119.890 120.898 -1.008 19045 642 1 . 1 1 156 156 ARG HA H 156 3.769 3.769 3.931 -0.162 19045 643 1 . 1 1 156 156 ARG CA C 156 58.769 58.769 58.608 0.161 19045 644 1 . 1 1 156 156 ARG CB C 156 28.693 28.693 29.308 -0.615 19045 645 1 . 1 1 156 156 ARG H H 156 7.019 7.019 7.771 -0.752 19045 646 1 . 1 1 157 157 PHE N N 157 118.242 118.242 119.192 -0.950 19045 647 1 . 1 1 157 157 PHE HA H 157 4.426 4.426 4.366 0.060 19045 648 1 . 1 1 157 157 PHE CA C 157 56.928 56.928 60.624 -3.696 19045 649 1 . 1 1 157 157 PHE CB C 157 35.794 35.794 37.922 -2.128 19045 650 1 . 1 1 157 157 PHE H H 157 8.030 8.030 7.940 0.090 19045 651 1 . 1 1 158 158 VAL N N 158 118.961 118.961 119.301 -0.340 19045 652 1 . 1 1 158 158 VAL HA H 158 3.425 3.425 4.083 -0.658 19045 653 1 . 1 1 158 158 VAL CA C 158 67.288 67.288 67.109 0.179 19045 654 1 . 1 1 158 158 VAL CB C 158 31.554 31.554 31.148 0.406 19045 655 1 . 1 1 158 158 VAL H H 158 7.607 7.607 8.155 -0.548 19045 656 1 . 1 1 159 159 VAL N N 159 119.773 119.773 119.649 0.124 19045 657 1 . 1 1 159 159 VAL HA H 159 3.358 3.358 3.611 -0.253 19045 658 1 . 1 1 159 159 VAL CA C 159 67.570 67.570 66.328 1.242 19045 659 1 . 1 1 159 159 VAL CB C 159 32.355 32.355 31.004 1.351 19045 660 1 . 1 1 159 159 VAL H H 159 8.039 8.039 7.950 0.089 19045 661 1 . 1 1 160 160 ASP N N 160 118.382 118.382 121.061 -2.679 19045 662 1 . 1 1 160 160 ASP HA H 160 4.293 4.293 4.365 -0.072 19045 663 1 . 1 1 160 160 ASP CA C 160 57.567 57.567 57.653 -0.086 19045 664 1 . 1 1 160 160 ASP CB C 160 41.474 41.474 40.837 0.637 19045 665 1 . 1 1 160 160 ASP H H 160 8.752 8.752 8.235 0.517 19045 666 1 . 1 1 161 161 PHE N N 161 119.972 119.972 119.900 0.072 19045 667 1 . 1 1 161 161 PHE HA H 161 4.175 4.175 4.235 -0.060 19045 668 1 . 1 1 161 161 PHE CA C 161 62.688 62.688 60.791 1.897 19045 669 1 . 1 1 161 161 PHE CB C 161 39.789 39.789 39.205 0.585 19045 670 1 . 1 1 161 161 PHE H H 161 8.558 8.558 8.357 0.201 19045 671 1 . 1 1 162 162 MET N N 162 116.261 116.261 119.987 -3.726 19045 672 1 . 1 1 162 162 MET HA H 162 3.702 3.702 3.707 -0.005 19045 673 1 . 1 1 162 162 MET CA C 162 59.342 59.342 59.209 0.133 19045 674 1 . 1 1 162 162 MET CB C 162 32.081 32.081 32.631 -0.550 19045 675 1 . 1 1 162 162 MET H H 162 8.597 8.597 8.216 0.381 19045 676 1 . 1 1 163 163 LEU N N 163 119.069 119.069 115.020 4.049 19045 677 1 . 1 1 163 163 LEU HA H 163 3.952 3.952 4.069 -0.117 19045 678 1 . 1 1 163 163 LEU CA C 163 57.856 57.856 56.112 1.744 19045 679 1 . 1 1 163 163 LEU CB C 163 42.236 42.236 41.648 0.588 19045 680 1 . 1 1 163 163 LEU H H 163 8.291 8.291 7.653 0.638 19045 681 1 . 1 1 164 164 HIS N N 164 113.591 113.591 115.094 -1.503 19045 682 1 . 1 1 164 164 HIS HA H 164 4.430 4.430 4.658 -0.228 19045 683 1 . 1 1 164 164 HIS CA C 164 57.289 57.289 56.257 1.032 19045 684 1 . 1 1 164 164 HIS CB C 164 28.766 28.766 29.958 -1.192 19045 685 1 . 1 1 164 164 HIS H H 164 8.111 8.111 7.442 0.669 19045 686 1 . 1 1 165 165 HIS N N 165 115.730 115.730 118.078 -2.348 19045 687 1 . 1 1 165 165 HIS HA H 165 4.602 4.602 4.563 0.039 19045 688 1 . 1 1 165 165 HIS CA C 165 54.752 54.752 56.266 -1.514 19045 689 1 . 1 1 165 165 HIS CB C 165 26.766 26.766 30.671 -3.905 19045 690 1 . 1 1 165 165 HIS H H 165 7.789 7.789 7.826 -0.037 19045 691 1 . 1 1 166 166 CYS N N 166 109.533 109.533 116.773 -7.240 19045 692 1 . 1 1 166 166 CYS HA H 166 4.274 4.274 4.160 0.114 19045 693 1 . 1 1 166 166 CYS CA C 166 61.452 61.452 60.015 1.437 19045 694 1 . 1 1 166 166 CYS CB C 166 25.215 25.215 26.798 -1.583 19045 695 1 . 1 1 166 166 CYS H H 166 7.761 7.761 8.416 -0.655 19045 696 1 . 1 1 167 167 ILE N N 167 119.980 119.980 120.959 -0.979 19045 697 1 . 1 1 167 167 ILE HA H 167 3.563 3.563 3.723 -0.160 19045 698 1 . 1 1 167 167 ILE CA C 167 62.212 62.212 63.301 -1.089 19045 699 1 . 1 1 167 167 ILE CB C 167 35.969 35.969 36.592 -0.623 19045 700 1 . 1 1 167 167 ILE H H 167 7.574 7.574 7.781 -0.207 19045 701 1 . 1 1 168 168 ALA N N 168 121.737 121.737 122.806 -1.069 19045 702 1 . 1 1 168 168 ALA HA H 168 3.775 3.775 3.901 -0.126 19045 703 1 . 1 1 168 168 ALA CA C 168 55.082 55.082 55.620 -0.538 19045 704 1 . 1 1 168 168 ALA CB C 168 16.505 16.505 18.149 -1.644 19045 705 1 . 1 1 168 168 ALA H H 168 7.935 7.935 7.653 0.282 19045 706 1 . 1 1 169 169 ARG N N 169 118.369 118.369 118.438 -0.069 19045 707 1 . 1 1 169 169 ARG HA H 169 3.550 3.550 3.974 -0.424 19045 708 1 . 1 1 169 169 ARG CA C 169 59.581 59.581 58.985 0.596 19045 709 1 . 1 1 169 169 ARG CB C 169 29.380 29.380 29.539 -0.159 19045 710 1 . 1 1 169 169 ARG H H 169 7.936 7.936 8.454 -0.518 19045 711 1 . 1 1 170 170 TRP N N 170 121.173 121.173 121.562 -0.389 19045 712 1 . 1 1 170 170 TRP HA H 170 3.763 3.763 4.202 -0.439 19045 713 1 . 1 1 170 170 TRP CA C 170 62.080 62.080 61.100 0.980 19045 714 1 . 1 1 170 170 TRP CB C 170 29.423 29.423 29.146 0.277 19045 715 1 . 1 1 170 170 TRP H H 170 7.259 7.259 7.471 -0.212 19045 716 1 . 1 1 171 171 ILE N N 171 117.994 117.994 118.596 -0.602 19045 717 1 . 1 1 171 171 ILE HA H 171 2.864 2.864 2.994 -0.130 19045 718 1 . 1 1 171 171 ILE CA C 171 65.347 65.347 64.775 0.572 19045 719 1 . 1 1 171 171 ILE CB C 171 37.781 37.781 37.503 0.278 19045 720 1 . 1 1 171 171 ILE H H 171 8.074 8.074 8.301 -0.227 19045 721 1 . 1 1 172 172 ALA N N 172 123.588 123.588 120.840 2.748 19045 722 1 . 1 1 172 172 ALA HA H 172 3.506 3.506 3.904 -0.398 19045 723 1 . 1 1 172 172 ALA CA C 172 55.685 55.685 54.864 0.821 19045 724 1 . 1 1 172 172 ALA CB C 172 17.050 17.050 18.274 -1.224 19045 725 1 . 1 1 172 172 ALA H H 172 8.511 8.511 7.908 0.603 19045 726 1 . 1 1 173 173 GLN N N 173 117.382 117.382 116.321 1.061 19045 727 1 . 1 1 173 173 GLN HA H 173 3.854 3.854 3.982 -0.128 19045 728 1 . 1 1 173 173 GLN CA C 173 57.904 57.904 57.670 0.234 19045 729 1 . 1 1 173 173 GLN CB C 173 28.141 28.141 28.659 -0.518 19045 730 1 . 1 1 173 173 GLN H H 173 7.898 7.898 7.589 0.309 19045 731 1 . 1 1 174 174 ARG N N 174 116.800 116.800 116.144 0.656 19045 732 1 . 1 1 174 174 ARG HA H 174 4.097 4.097 4.064 0.033 19045 733 1 . 1 1 174 174 ARG CA C 174 55.395 55.395 55.717 -0.322 19045 734 1 . 1 1 174 174 ARG CB C 174 29.652 29.652 30.117 -0.465 19045 735 1 . 1 1 174 174 ARG H H 174 6.984 6.984 7.427 -0.443 19045 736 1 . 1 1 175 175 GLY N N 175 104.194 104.194 105.697 -1.503 19045 737 1 . 1 1 175 175 GLY CA C 175 44.340 44.340 44.601 -0.261 19045 738 1 . 1 1 175 175 GLY H H 175 7.418 7.418 7.167 0.251 19045 739 1 . 1 1 176 176 GLY N N 176 107.629 107.629 107.632 -0.003 19045 740 1 . 1 1 176 176 GLY CA C 176 43.501 43.501 44.901 -1.400 19045 741 1 . 1 1 176 176 GLY H H 176 8.072 8.072 7.622 0.450 19045 742 1 . 1 1 177 177 TRP N N 177 117.887 117.887 121.350 -3.463 19045 743 1 . 1 1 177 177 TRP HA H 177 4.476 4.476 4.758 -0.282 19045 744 1 . 1 1 177 177 TRP CA C 177 61.083 61.083 59.846 1.237 19045 745 1 . 1 1 177 177 TRP CB C 177 30.927 30.927 29.454 1.473 19045 746 1 . 1 1 177 177 TRP H H 177 8.218 8.218 8.859 -0.641 19045 747 1 . 1 1 178 178 VAL N N 178 112.929 112.929 118.551 -5.622 19045 748 1 . 1 1 178 178 VAL HA H 178 3.688 3.688 3.901 -0.213 19045 749 1 . 1 1 178 178 VAL CA C 178 64.680 64.680 64.098 0.582 19045 750 1 . 1 1 178 178 VAL CB C 178 31.057 31.057 30.616 0.441 19045 751 1 . 1 1 178 178 VAL H H 178 8.284 8.284 7.877 0.407 19045 752 1 . 1 1 179 179 ALA N N 179 125.101 125.101 121.496 3.605 19045 753 1 . 1 1 179 179 ALA HA H 179 4.009 4.009 4.431 -0.422 19045 754 1 . 1 1 179 179 ALA CA C 179 54.344 54.344 52.829 1.515 19045 755 1 . 1 1 179 179 ALA CB C 179 18.555 18.555 18.941 -0.386 19045 756 1 . 1 1 179 179 ALA H H 179 7.670 7.670 7.830 -0.160 19045 757 1 . 1 1 180 180 ALA N N 180 119.081 119.081 122.325 -3.244 19045 758 1 . 1 1 180 180 ALA HA H 180 3.293 3.293 3.642 -0.349 19045 759 1 . 1 1 180 180 ALA CA C 180 52.783 52.783 54.019 -1.236 19045 760 1 . 1 1 180 180 ALA CB C 180 18.113 18.113 18.678 -0.565 19045 761 1 . 1 1 180 180 ALA H H 180 8.058 8.058 7.504 0.554 19045 762 1 . 1 1 181 181 LEU N N 181 114.169 114.169 114.294 -0.125 19045 763 1 . 1 1 181 181 LEU HA H 181 3.911 3.911 4.127 -0.216 19045 764 1 . 1 1 181 181 LEU CA C 181 56.128 56.128 56.338 -0.210 19045 765 1 . 1 1 181 181 LEU CB C 181 40.955 40.955 41.049 -0.094 19045 766 1 . 1 1 181 181 LEU H H 181 7.342 7.342 7.880 -0.538 19045 767 1 . 1 1 182 182 ASN N N 182 115.061 115.061 116.403 -1.343 19045 768 1 . 1 1 182 182 ASN HA H 182 4.743 4.743 4.701 0.042 19045 769 1 . 1 1 182 182 ASN CA C 182 52.508 52.508 53.025 -0.517 19045 770 1 . 1 1 182 182 ASN CB C 182 39.091 39.091 39.035 0.056 19045 771 1 . 1 1 182 182 ASN H H 182 7.289 7.289 7.628 -0.339 19045 772 1 . 1 1 183 183 LEU N N 183 119.889 119.889 119.641 0.248 19045 773 1 . 1 1 183 183 LEU HA H 183 4.125 4.125 4.464 -0.339 19045 774 1 . 1 1 183 183 LEU CA C 183 55.201 55.201 54.541 0.660 19045 775 1 . 1 1 183 183 LEU CB C 183 42.174 42.174 42.923 -0.749 19045 776 1 . 1 1 183 183 LEU H H 183 7.148 7.148 7.404 -0.256 19045 777 1 . 1 1 184 184 GLY N N 184 107.883 107.883 109.403 -1.521 19045 778 1 . 1 1 184 184 GLY CA C 184 45.256 45.256 46.632 -1.376 19045 779 1 . 1 1 184 184 GLY H H 184 8.486 8.486 8.512 -0.026 19045 780 1 . 1 1 185 185 ASN N N 185 118.093 118.093 122.839 -4.746 19045 781 1 . 1 1 185 185 ASN HA H 185 4.755 4.755 4.816 -0.061 19045 782 1 . 1 1 185 185 ASN CA C 185 52.812 52.812 52.474 0.338 19045 783 1 . 1 1 185 185 ASN CB C 185 39.297 39.297 39.001 0.296 19045 784 1 . 1 1 185 185 ASN H H 185 8.074 8.074 8.480 -0.406 19045 stop_ save_