data_18844 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18844 _Entry.PDB_ID 2M17 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 18844 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ALA N N 2 126.014 126.014 123.532 2.482 18844 2 1 1 . 1 1 2 2 ALA HA H 2 4.033 4.033 4.485 -0.452 18844 3 1 1 . 1 1 2 2 ALA CA C 2 53.215 53.215 51.745 1.470 18844 4 1 1 . 1 1 2 2 ALA CB C 2 19.376 19.376 19.597 -0.221 18844 5 1 1 . 1 1 2 2 ALA H H 2 8.410 8.410 8.275 0.135 18844 6 1 1 . 1 1 3 3 LEU N N 3 123.255 123.255 123.355 -0.100 18844 7 1 1 . 1 1 3 3 LEU HA H 3 4.646 4.646 4.632 0.014 18844 8 1 1 . 1 1 3 3 LEU CA C 3 51.817 51.817 51.829 -0.012 18844 9 1 1 . 1 1 3 3 LEU CB C 3 43.557 43.557 43.336 0.221 18844 10 1 1 . 1 1 3 3 LEU H H 3 8.271 8.271 8.439 -0.168 18844 11 1 1 . 1 1 4 4 PRO HA H 4 4.606 4.606 4.719 -0.113 18844 12 1 1 . 1 1 4 4 PRO CA C 4 63.240 63.240 62.528 0.712 18844 13 1 1 . 1 1 4 4 PRO CB C 4 32.070 32.070 33.066 -0.996 18844 14 1 1 . 1 1 5 5 ILE N N 5 122.161 122.161 118.183 3.978 18844 15 1 1 . 1 1 5 5 ILE HA H 5 4.359 4.359 4.836 -0.477 18844 16 1 1 . 1 1 5 5 ILE CA C 5 60.833 60.833 60.456 0.377 18844 17 1 1 . 1 1 5 5 ILE CB C 5 43.943 43.943 42.786 1.157 18844 18 1 1 . 1 1 5 5 ILE H H 5 8.317 8.317 7.697 0.620 18844 19 1 1 . 1 1 6 6 ILE N N 6 125.649 125.649 125.793 -0.144 18844 20 1 1 . 1 1 6 6 ILE HA H 6 4.921 4.921 4.752 0.169 18844 21 1 1 . 1 1 6 6 ILE CA C 6 59.865 59.865 60.655 -0.790 18844 22 1 1 . 1 1 6 6 ILE CB C 6 40.264 40.264 40.258 0.006 18844 23 1 1 . 1 1 6 6 ILE H H 6 8.408 8.408 8.427 -0.019 18844 24 1 1 . 1 1 7 7 VAL N N 7 125.741 125.741 126.165 -0.424 18844 25 1 1 . 1 1 7 7 VAL HA H 7 4.930 4.930 4.735 0.195 18844 26 1 1 . 1 1 7 7 VAL CA C 7 60.363 60.363 60.194 0.169 18844 27 1 1 . 1 1 7 7 VAL CB C 7 34.759 34.759 34.430 0.329 18844 28 1 1 . 1 1 7 7 VAL H H 7 9.155 9.155 9.160 -0.005 18844 29 1 1 . 1 1 8 8 LYS N N 8 128.098 128.098 128.438 -0.340 18844 30 1 1 . 1 1 8 8 LYS HA H 8 5.232 5.232 5.186 0.046 18844 31 1 1 . 1 1 8 8 LYS CA C 8 55.275 55.275 54.795 0.480 18844 32 1 1 . 1 1 8 8 LYS CB C 8 34.935 34.935 33.752 1.183 18844 33 1 1 . 1 1 8 8 LYS H H 8 9.174 9.174 8.727 0.447 18844 34 1 1 . 1 1 9 9 TRP N N 9 125.952 125.952 128.629 -2.677 18844 35 1 1 . 1 1 9 9 TRP HA H 9 5.185 5.185 4.883 0.302 18844 36 1 1 . 1 1 9 9 TRP CA C 9 57.734 57.734 56.758 0.976 18844 37 1 1 . 1 1 9 9 TRP CB C 9 31.561 31.561 30.804 0.757 18844 38 1 1 . 1 1 9 9 TRP H H 9 8.844 8.844 8.464 0.380 18844 39 1 1 . 1 1 10 10 GLY N N 10 117.044 117.044 116.247 0.797 18844 40 1 1 . 1 1 10 10 GLY CA C 10 47.101 47.101 45.204 1.897 18844 41 1 1 . 1 1 10 10 GLY H H 10 8.683 8.683 8.532 0.151 18844 42 1 1 . 1 1 11 11 GLY N N 11 109.364 109.364 109.950 -0.586 18844 43 1 1 . 1 1 11 11 GLY CA C 11 45.460 45.460 45.414 0.046 18844 44 1 1 . 1 1 11 11 GLY H H 11 8.600 8.600 8.192 0.408 18844 45 1 1 . 1 1 12 12 GLN N N 12 119.388 119.388 118.922 0.466 18844 46 1 1 . 1 1 12 12 GLN HA H 12 4.483 4.483 4.645 -0.162 18844 47 1 1 . 1 1 12 12 GLN CA C 12 54.502 54.502 54.547 -0.045 18844 48 1 1 . 1 1 12 12 GLN CB C 12 32.178 32.178 32.022 0.156 18844 49 1 1 . 1 1 12 12 GLN H H 12 7.865 7.865 7.852 0.013 18844 50 1 1 . 1 1 13 13 GLU N N 13 119.756 119.756 118.617 1.139 18844 51 1 1 . 1 1 13 13 GLU HA H 13 4.880 4.880 4.853 0.027 18844 52 1 1 . 1 1 13 13 GLU CA C 13 55.655 55.655 55.347 0.308 18844 53 1 1 . 1 1 13 13 GLU CB C 13 32.306 32.306 32.600 -0.294 18844 54 1 1 . 1 1 13 13 GLU H H 13 8.172 8.172 8.379 -0.207 18844 55 1 1 . 1 1 14 14 TYR N N 14 122.812 122.812 121.492 1.320 18844 56 1 1 . 1 1 14 14 TYR HA H 14 4.601 4.601 4.781 -0.180 18844 57 1 1 . 1 1 14 14 TYR CA C 14 57.246 57.246 56.791 0.455 18844 58 1 1 . 1 1 14 14 TYR CB C 14 40.544 40.544 41.292 -0.748 18844 59 1 1 . 1 1 14 14 TYR H H 14 9.381 9.381 8.820 0.561 18844 60 1 1 . 1 1 15 15 SER N N 15 118.339 118.339 119.128 -0.789 18844 61 1 1 . 1 1 15 15 SER HA H 15 4.747 4.747 4.624 0.123 18844 62 1 1 . 1 1 15 15 SER CA C 15 58.099 58.099 58.057 0.042 18844 63 1 1 . 1 1 15 15 SER CB C 15 63.394 63.394 63.926 -0.532 18844 64 1 1 . 1 1 15 15 SER H H 15 8.802 8.802 8.841 -0.039 18844 65 1 1 . 1 1 16 16 VAL N N 16 128.611 128.611 125.549 3.062 18844 66 1 1 . 1 1 16 16 VAL HA H 16 4.205 4.205 4.362 -0.157 18844 67 1 1 . 1 1 16 16 VAL CA C 16 62.344 62.344 62.342 0.002 18844 68 1 1 . 1 1 16 16 VAL CB C 16 32.528 32.528 32.942 -0.414 18844 69 1 1 . 1 1 16 16 VAL H H 16 9.005 9.005 8.767 0.238 18844 70 1 1 . 1 1 17 17 THR N N 17 116.170 116.170 119.900 -3.730 18844 71 1 1 . 1 1 17 17 THR HA H 17 4.533 4.533 4.703 -0.170 18844 72 1 1 . 1 1 17 17 THR CA C 17 62.331 62.331 61.518 0.813 18844 73 1 1 . 1 1 17 17 THR CB C 17 70.040 70.040 68.813 1.227 18844 74 1 1 . 1 1 17 17 THR H H 17 8.746 8.746 8.662 0.084 18844 75 1 1 . 1 1 18 18 THR N N 18 107.517 107.517 116.322 -8.805 18844 76 1 1 . 1 1 18 18 THR HA H 18 4.173 4.173 4.159 0.014 18844 77 1 1 . 1 1 18 18 THR CA C 18 61.772 61.772 63.002 -1.230 18844 78 1 1 . 1 1 18 18 THR CB C 18 69.121 69.121 68.955 0.166 18844 79 1 1 . 1 1 18 18 THR H H 18 6.812 6.812 8.115 -1.303 18844 80 1 1 . 1 1 19 19 LEU N N 19 123.019 123.019 123.182 -0.163 18844 81 1 1 . 1 1 19 19 LEU HA H 19 4.583 4.583 4.331 0.252 18844 82 1 1 . 1 1 19 19 LEU CA C 19 54.180 54.180 54.202 -0.022 18844 83 1 1 . 1 1 19 19 LEU CB C 19 42.711 42.711 42.788 -0.077 18844 84 1 1 . 1 1 19 19 LEU H H 19 8.388 8.388 7.790 0.598 18844 85 1 1 . 1 1 20 20 SER N N 20 117.870 117.870 115.381 2.489 18844 86 1 1 . 1 1 20 20 SER HA H 20 4.863 4.863 4.931 -0.068 18844 87 1 1 . 1 1 20 20 SER CA C 20 56.832 56.832 56.617 0.215 18844 88 1 1 . 1 1 20 20 SER CB C 20 67.845 67.845 66.511 1.334 18844 89 1 1 . 1 1 20 20 SER H H 20 9.714 9.714 8.825 0.889 18844 90 1 1 . 1 1 21 21 GLU N N 21 116.130 116.130 122.016 -5.886 18844 91 1 1 . 1 1 21 21 GLU HA H 21 3.740 3.740 3.995 -0.255 18844 92 1 1 . 1 1 21 21 GLU CA C 21 59.134 59.134 59.202 -0.068 18844 93 1 1 . 1 1 21 21 GLU CB C 21 30.854 30.854 29.262 1.592 18844 94 1 1 . 1 1 21 21 GLU H H 21 8.491 8.491 9.187 -0.696 18844 95 1 1 . 1 1 22 22 ASP N N 22 115.741 115.741 118.508 -2.767 18844 96 1 1 . 1 1 22 22 ASP HA H 22 4.650 4.650 4.583 0.067 18844 97 1 1 . 1 1 22 22 ASP CA C 22 55.156 55.156 55.232 -0.076 18844 98 1 1 . 1 1 22 22 ASP CB C 22 42.579 42.579 40.866 1.713 18844 99 1 1 . 1 1 22 22 ASP H H 22 7.936 7.936 8.424 -0.488 18844 100 1 1 . 1 1 23 23 ASP N N 23 119.945 119.945 118.459 1.486 18844 101 1 1 . 1 1 23 23 ASP HA H 23 4.841 4.841 4.965 -0.124 18844 102 1 1 . 1 1 23 23 ASP CA C 23 55.223 55.223 53.776 1.447 18844 103 1 1 . 1 1 23 23 ASP CB C 23 42.782 42.782 42.257 0.526 18844 104 1 1 . 1 1 23 23 ASP H H 23 7.313 7.313 8.084 -0.771 18844 105 1 1 . 1 1 24 24 THR N N 24 107.918 107.918 109.519 -1.601 18844 106 1 1 . 1 1 24 24 THR HA H 24 5.328 5.328 4.806 0.522 18844 107 1 1 . 1 1 24 24 THR CA C 24 60.989 60.989 60.234 0.755 18844 108 1 1 . 1 1 24 24 THR CB C 24 74.287 74.287 71.822 2.465 18844 109 1 1 . 1 1 24 24 THR H H 24 9.630 9.630 7.792 1.838 18844 110 1 1 . 1 1 25 25 VAL N N 25 120.192 120.192 121.782 -1.590 18844 111 1 1 . 1 1 25 25 VAL HA H 25 3.334 3.334 3.780 -0.446 18844 112 1 1 . 1 1 25 25 VAL CA C 25 67.626 67.626 66.588 1.038 18844 113 1 1 . 1 1 25 25 VAL CB C 25 32.149 32.149 31.296 0.853 18844 114 1 1 . 1 1 25 25 VAL H H 25 8.260 8.260 8.714 -0.454 18844 115 1 1 . 1 1 26 26 LEU N N 26 119.941 119.941 119.042 0.899 18844 116 1 1 . 1 1 26 26 LEU HA H 26 3.872 3.872 4.006 -0.134 18844 117 1 1 . 1 1 26 26 LEU CA C 26 58.592 58.592 58.572 0.020 18844 118 1 1 . 1 1 26 26 LEU CB C 26 41.716 41.716 41.347 0.369 18844 119 1 1 . 1 1 26 26 LEU H H 26 8.523 8.523 7.236 1.287 18844 120 1 1 . 1 1 27 27 ASP N N 27 118.322 118.322 118.351 -0.029 18844 121 1 1 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.444 -0.171 18844 122 1 1 . 1 1 27 27 ASP CA C 27 58.663 58.663 57.050 1.613 18844 123 1 1 . 1 1 27 27 ASP CB C 27 40.931 40.931 40.740 0.191 18844 124 1 1 . 1 1 27 27 ASP H H 27 7.581 7.581 8.355 -0.774 18844 125 1 1 . 1 1 28 28 LEU N N 28 122.021 122.021 119.849 2.172 18844 126 1 1 . 1 1 28 28 LEU HA H 28 4.083 4.083 4.195 -0.112 18844 127 1 1 . 1 1 28 28 LEU CA C 28 58.772 58.772 57.738 1.034 18844 128 1 1 . 1 1 28 28 LEU CB C 28 41.225 41.225 42.363 -1.138 18844 129 1 1 . 1 1 28 28 LEU H H 28 7.837 7.837 7.383 0.454 18844 130 1 1 . 1 1 29 29 LYS N N 29 119.086 119.086 119.566 -0.480 18844 131 1 1 . 1 1 29 29 LYS HA H 29 4.520 4.520 3.955 0.565 18844 132 1 1 . 1 1 29 29 LYS CA C 29 59.787 59.787 60.563 -0.777 18844 133 1 1 . 1 1 29 29 LYS CB C 29 34.297 34.297 32.155 2.142 18844 134 1 1 . 1 1 29 29 LYS H H 29 8.467 8.467 8.512 -0.045 18844 135 1 1 . 1 1 30 30 GLN N N 30 119.268 119.268 118.790 0.478 18844 136 1 1 . 1 1 30 30 GLN HA H 30 3.932 3.932 4.036 -0.104 18844 137 1 1 . 1 1 30 30 GLN CA C 30 59.663 59.663 58.574 1.089 18844 138 1 1 . 1 1 30 30 GLN CB C 30 27.806 27.806 28.026 -0.220 18844 139 1 1 . 1 1 30 30 GLN H H 30 9.049 9.049 8.065 0.984 18844 140 1 1 . 1 1 31 31 PHE N N 31 121.690 121.690 120.202 1.488 18844 141 1 1 . 1 1 31 31 PHE HA H 31 4.218 4.218 4.311 -0.093 18844 142 1 1 . 1 1 31 31 PHE CA C 31 61.967 61.967 60.458 1.509 18844 143 1 1 . 1 1 31 31 PHE CB C 31 39.374 39.374 39.638 -0.264 18844 144 1 1 . 1 1 31 31 PHE H H 31 8.039 8.039 7.435 0.604 18844 145 1 1 . 1 1 32 32 LEU N N 32 118.232 118.232 118.096 0.136 18844 146 1 1 . 1 1 32 32 LEU HA H 32 3.637 3.637 3.955 -0.318 18844 147 1 1 . 1 1 32 32 LEU CA C 32 57.708 57.708 58.152 -0.444 18844 148 1 1 . 1 1 32 32 LEU CB C 32 41.270 41.270 41.297 -0.027 18844 149 1 1 . 1 1 32 32 LEU H H 32 8.776 8.776 8.413 0.363 18844 150 1 1 . 1 1 33 33 LYS N N 33 125.920 125.920 118.730 7.190 18844 151 1 1 . 1 1 33 33 LYS HA H 33 3.802 3.802 3.877 -0.075 18844 152 1 1 . 1 1 33 33 LYS CA C 33 60.116 60.116 59.162 0.954 18844 153 1 1 . 1 1 33 33 LYS CB C 33 31.701 31.701 31.551 0.150 18844 154 1 1 . 1 1 33 33 LYS H H 33 8.237 8.237 8.519 -0.282 18844 155 1 1 . 1 1 34 34 THR N N 34 114.544 114.544 112.153 2.391 18844 156 1 1 . 1 1 34 34 THR HA H 34 3.773 3.773 4.087 -0.314 18844 157 1 1 . 1 1 34 34 THR CA C 34 65.749 65.749 64.528 1.221 18844 158 1 1 . 1 1 34 34 THR CB C 34 68.620 68.620 68.764 -0.145 18844 159 1 1 . 1 1 34 34 THR H H 34 7.281 7.281 7.090 0.191 18844 160 1 1 . 1 1 35 35 LEU N N 35 117.590 117.590 120.155 -2.565 18844 161 1 1 . 1 1 35 35 LEU HA H 35 4.018 4.018 4.113 -0.095 18844 162 1 1 . 1 1 35 35 LEU CA C 35 57.015 57.015 57.025 -0.010 18844 163 1 1 . 1 1 35 35 LEU CB C 35 44.003 44.003 42.515 1.488 18844 164 1 1 . 1 1 35 35 LEU H H 35 6.752 6.752 7.556 -0.804 18844 165 1 1 . 1 1 36 36 THR N N 36 104.865 104.865 109.633 -4.768 18844 166 1 1 . 1 1 36 36 THR HA H 36 3.967 3.967 4.303 -0.336 18844 167 1 1 . 1 1 36 36 THR CA C 36 62.756 62.756 62.032 0.724 18844 168 1 1 . 1 1 36 36 THR CB C 36 72.343 72.343 70.249 2.094 18844 169 1 1 . 1 1 36 36 THR H H 36 7.675 7.675 7.594 0.081 18844 170 1 1 . 1 1 37 37 GLY N N 37 109.795 109.795 108.956 0.839 18844 171 1 1 . 1 1 37 37 GLY CA C 37 45.559 45.559 44.403 1.156 18844 172 1 1 . 1 1 37 37 GLY H H 37 7.971 7.971 7.393 0.578 18844 173 1 1 . 1 1 38 38 VAL N N 38 122.557 122.557 119.791 2.766 18844 174 1 1 . 1 1 38 38 VAL HA H 38 3.638 3.638 4.002 -0.364 18844 175 1 1 . 1 1 38 38 VAL CA C 38 62.437 62.437 60.392 2.045 18844 176 1 1 . 1 1 38 38 VAL CB C 38 31.390 31.390 33.137 -1.747 18844 177 1 1 . 1 1 38 38 VAL H H 38 7.533 7.533 7.663 -0.130 18844 178 1 1 . 1 1 39 39 LEU N N 39 127.828 127.828 122.850 4.978 18844 179 1 1 . 1 1 39 39 LEU HA H 39 3.994 3.994 4.426 -0.432 18844 180 1 1 . 1 1 39 39 LEU CA C 39 54.437 54.437 53.351 1.086 18844 181 1 1 . 1 1 39 39 LEU CB C 39 40.557 40.557 40.030 0.527 18844 182 1 1 . 1 1 39 39 LEU H H 39 8.634 8.634 8.274 0.360 18844 183 1 1 . 1 1 40 40 PRO HA H 40 3.839 3.839 4.571 -0.732 18844 184 1 1 . 1 1 40 40 PRO CA C 40 66.989 66.989 64.725 2.264 18844 185 1 1 . 1 1 40 40 PRO CB C 40 32.322 32.322 31.978 0.344 18844 186 1 1 . 1 1 41 41 GLU N N 41 114.752 114.752 117.981 -3.229 18844 187 1 1 . 1 1 41 41 GLU HA H 41 4.071 4.071 4.077 -0.006 18844 188 1 1 . 1 1 41 41 GLU CA C 41 58.938 58.938 58.648 0.290 18844 189 1 1 . 1 1 41 41 GLU CB C 41 28.824 28.824 29.449 -0.625 18844 190 1 1 . 1 1 41 41 GLU H H 41 9.746 9.746 8.642 1.104 18844 191 1 1 . 1 1 42 42 ARG N N 42 118.145 118.145 115.880 2.265 18844 192 1 1 . 1 1 42 42 ARG HA H 42 4.315 4.315 4.442 -0.127 18844 193 1 1 . 1 1 42 42 ARG CA C 42 55.448 55.448 56.819 -1.371 18844 194 1 1 . 1 1 42 42 ARG CB C 42 31.105 31.105 31.819 -0.714 18844 195 1 1 . 1 1 42 42 ARG H H 42 7.938 7.938 7.557 0.381 18844 196 1 1 . 1 1 43 43 GLN N N 43 118.250 118.250 118.526 -0.276 18844 197 1 1 . 1 1 43 43 GLN HA H 43 4.251 4.251 4.800 -0.549 18844 198 1 1 . 1 1 43 43 GLN CA C 43 56.537 56.537 54.728 1.809 18844 199 1 1 . 1 1 43 43 GLN CB C 43 30.992 30.992 30.852 0.140 18844 200 1 1 . 1 1 43 43 GLN H H 43 7.034 7.034 7.790 -0.756 18844 201 1 1 . 1 1 44 44 LYS N N 44 122.693 122.693 119.733 2.960 18844 202 1 1 . 1 1 44 44 LYS HA H 44 4.464 4.464 4.740 -0.276 18844 203 1 1 . 1 1 44 44 LYS CA C 44 55.552 55.552 54.517 1.035 18844 204 1 1 . 1 1 44 44 LYS CB C 44 34.325 34.325 34.967 -0.642 18844 205 1 1 . 1 1 44 44 LYS H H 44 8.806 8.806 8.954 -0.148 18844 206 1 1 . 1 1 45 45 LEU N N 45 124.806 124.806 123.987 0.819 18844 207 1 1 . 1 1 45 45 LEU HA H 45 4.943 4.943 4.260 0.683 18844 208 1 1 . 1 1 45 45 LEU CA C 45 53.542 53.542 55.050 -1.508 18844 209 1 1 . 1 1 45 45 LEU CB C 45 41.821 41.821 40.936 0.885 18844 210 1 1 . 1 1 45 45 LEU H H 45 8.704 8.704 8.711 -0.007 18844 211 1 1 . 1 1 46 46 LEU N N 46 124.709 124.709 125.794 -1.085 18844 212 1 1 . 1 1 46 46 LEU HA H 46 4.358 4.358 4.376 -0.018 18844 213 1 1 . 1 1 46 46 LEU CA C 46 55.759 55.759 56.879 -1.119 18844 214 1 1 . 1 1 46 46 LEU CB C 46 42.526 42.526 41.765 0.761 18844 215 1 1 . 1 1 46 46 LEU H H 46 8.751 8.751 7.903 0.848 18844 216 1 1 . 1 1 47 47 GLY N N 47 109.276 109.276 107.147 2.129 18844 217 1 1 . 1 1 47 47 GLY CA C 47 45.560 45.560 44.705 0.855 18844 218 1 1 . 1 1 47 47 GLY H H 47 8.300 8.300 8.374 -0.074 18844 219 1 1 . 1 1 48 48 LEU N N 48 119.707 119.707 117.452 2.255 18844 220 1 1 . 1 1 48 48 LEU HA H 48 4.590 4.590 4.218 0.372 18844 221 1 1 . 1 1 48 48 LEU CA C 48 53.945 53.945 56.405 -2.460 18844 222 1 1 . 1 1 48 48 LEU CB C 48 41.414 41.414 42.159 -0.745 18844 223 1 1 . 1 1 48 48 LEU H H 48 7.581 7.581 7.427 0.154 18844 224 1 1 . 1 1 49 49 LYS N N 49 124.527 124.527 117.818 6.709 18844 225 1 1 . 1 1 49 49 LYS HA H 49 4.852 4.852 4.561 0.291 18844 226 1 1 . 1 1 49 49 LYS CA C 49 55.663 55.663 54.839 0.824 18844 227 1 1 . 1 1 49 49 LYS CB C 49 37.581 37.581 34.895 2.686 18844 228 1 1 . 1 1 49 49 LYS H H 49 8.606 8.606 7.275 1.331 18844 229 1 1 . 1 1 50 50 VAL N N 50 119.184 119.184 120.878 -1.694 18844 230 1 1 . 1 1 50 50 VAL HA H 50 4.113 4.113 4.299 -0.186 18844 231 1 1 . 1 1 50 50 VAL CA C 50 61.865 61.865 61.182 0.683 18844 232 1 1 . 1 1 50 50 VAL CB C 50 34.734 34.734 35.587 -0.853 18844 233 1 1 . 1 1 50 50 VAL H H 50 8.799 8.799 8.390 0.408 18844 234 1 1 . 1 1 51 51 LYS N N 51 127.069 127.069 124.640 2.429 18844 235 1 1 . 1 1 51 51 LYS HA H 51 3.824 3.824 3.961 -0.137 18844 236 1 1 . 1 1 51 51 LYS CA C 51 57.407 57.407 57.016 0.392 18844 237 1 1 . 1 1 51 51 LYS CB C 51 30.655 30.655 31.082 -0.427 18844 238 1 1 . 1 1 51 51 LYS H H 51 9.451 9.451 9.129 0.322 18844 239 1 1 . 1 1 52 52 GLY N N 52 102.671 102.671 103.728 -1.057 18844 240 1 1 . 1 1 52 52 GLY CA C 52 45.810 45.810 45.122 0.688 18844 241 1 1 . 1 1 52 52 GLY H H 52 8.512 8.512 8.192 0.320 18844 242 1 1 . 1 1 53 53 LYS N N 53 121.307 121.307 121.837 -0.530 18844 243 1 1 . 1 1 53 53 LYS HA H 53 4.829 4.829 4.652 0.177 18844 244 1 1 . 1 1 53 53 LYS CA C 53 53.616 53.616 53.001 0.615 18844 245 1 1 . 1 1 53 53 LYS CB C 53 33.940 33.940 32.618 1.321 18844 246 1 1 . 1 1 53 53 LYS H H 53 7.781 7.781 7.827 -0.046 18844 247 1 1 . 1 1 54 54 PRO HA H 54 4.376 4.376 4.219 0.157 18844 248 1 1 . 1 1 54 54 PRO CA C 54 63.817 63.817 64.229 -0.412 18844 249 1 1 . 1 1 54 54 PRO CB C 54 32.151 32.151 31.917 0.234 18844 250 1 1 . 1 1 55 55 ALA N N 55 125.654 125.654 120.309 5.345 18844 251 1 1 . 1 1 55 55 ALA HA H 55 4.138 4.138 3.994 0.144 18844 252 1 1 . 1 1 55 55 ALA CA C 55 52.664 52.664 52.890 -0.226 18844 253 1 1 . 1 1 55 55 ALA CB C 55 20.044 20.044 17.804 2.240 18844 254 1 1 . 1 1 55 55 ALA H H 55 8.114 8.114 7.974 0.140 18844 255 1 1 . 1 1 56 56 GLU N N 56 122.313 122.313 118.878 3.435 18844 256 1 1 . 1 1 56 56 GLU HA H 56 4.215 4.215 4.032 0.183 18844 257 1 1 . 1 1 56 56 GLU CA C 56 56.089 56.089 59.109 -3.020 18844 258 1 1 . 1 1 56 56 GLU CB C 56 31.086 31.086 30.050 1.036 18844 259 1 1 . 1 1 56 56 GLU H H 56 8.179 8.179 8.684 -0.505 18844 260 1 1 . 1 1 57 57 ASN N N 57 115.140 115.140 109.076 6.064 18844 261 1 1 . 1 1 57 57 ASN HA H 57 4.229 4.229 4.701 -0.472 18844 262 1 1 . 1 1 57 57 ASN CA C 57 55.199 55.199 53.740 1.459 18844 263 1 1 . 1 1 57 57 ASN CB C 57 39.227 39.227 38.755 0.472 18844 264 1 1 . 1 1 57 57 ASN H H 57 8.504 8.504 7.933 0.571 18844 265 1 1 . 1 1 58 58 ASP N N 58 112.832 112.832 120.836 -8.004 18844 266 1 1 . 1 1 58 58 ASP HA H 58 4.488 4.488 4.531 -0.043 18844 267 1 1 . 1 1 58 58 ASP CA C 58 53.608 53.608 55.226 -1.618 18844 268 1 1 . 1 1 58 58 ASP CB C 58 40.304 40.304 40.396 -0.092 18844 269 1 1 . 1 1 58 58 ASP H H 58 8.198 8.198 8.577 -0.379 18844 270 1 1 . 1 1 59 59 VAL N N 59 122.073 122.073 120.041 2.032 18844 271 1 1 . 1 1 59 59 VAL HA H 59 3.593 3.593 4.011 -0.418 18844 272 1 1 . 1 1 59 59 VAL CA C 59 63.840 63.840 62.084 1.756 18844 273 1 1 . 1 1 59 59 VAL CB C 59 32.322 32.322 32.367 -0.045 18844 274 1 1 . 1 1 59 59 VAL H H 59 7.353 7.353 7.604 -0.251 18844 275 1 1 . 1 1 60 60 LYS N N 60 125.064 125.064 124.310 0.754 18844 276 1 1 . 1 1 60 60 LYS HA H 60 4.447 4.447 4.558 -0.111 18844 277 1 1 . 1 1 60 60 LYS CA C 60 56.185 56.185 55.494 0.691 18844 278 1 1 . 1 1 60 60 LYS CB C 60 33.105 33.105 33.665 -0.560 18844 279 1 1 . 1 1 60 60 LYS H H 60 8.339 8.339 8.264 0.075 18844 280 1 1 . 1 1 61 61 LEU N N 61 121.612 121.612 122.025 -0.413 18844 281 1 1 . 1 1 61 61 LEU HA H 61 3.776 3.776 3.991 -0.215 18844 282 1 1 . 1 1 61 61 LEU CA C 61 57.987 57.987 58.395 -0.408 18844 283 1 1 . 1 1 61 61 LEU CB C 61 40.832 40.832 41.727 -0.895 18844 284 1 1 . 1 1 61 61 LEU H H 61 9.423 9.423 8.850 0.573 18844 285 1 1 . 1 1 62 62 GLY N N 62 104.008 104.008 102.693 1.315 18844 286 1 1 . 1 1 62 62 GLY CA C 62 46.772 46.772 45.617 1.155 18844 287 1 1 . 1 1 62 62 GLY H H 62 9.107 9.107 8.282 0.825 18844 288 1 1 . 1 1 63 63 ALA N N 63 122.025 122.025 124.255 -2.230 18844 289 1 1 . 1 1 63 63 ALA HA H 63 4.273 4.273 4.271 0.002 18844 290 1 1 . 1 1 63 63 ALA CA C 63 53.421 53.421 54.290 -0.869 18844 291 1 1 . 1 1 63 63 ALA CB C 63 18.816 18.816 18.540 0.276 18844 292 1 1 . 1 1 63 63 ALA H H 63 7.755 7.755 7.706 0.049 18844 293 1 1 . 1 1 64 64 LEU N N 64 115.454 115.454 115.340 0.114 18844 294 1 1 . 1 1 64 64 LEU HA H 64 4.068 4.068 4.175 -0.107 18844 295 1 1 . 1 1 64 64 LEU CA C 64 55.567 55.567 55.632 -0.065 18844 296 1 1 . 1 1 64 64 LEU CB C 64 42.136 42.136 42.279 -0.143 18844 297 1 1 . 1 1 64 64 LEU H H 64 7.214 7.214 7.524 -0.310 18844 298 1 1 . 1 1 65 65 LYS N N 65 114.830 114.830 113.691 1.139 18844 299 1 1 . 1 1 65 65 LYS HA H 65 3.838 3.838 3.872 -0.034 18844 300 1 1 . 1 1 65 65 LYS CA C 65 56.737 56.737 56.581 0.156 18844 301 1 1 . 1 1 65 65 LYS CB C 65 29.307 29.307 29.107 0.200 18844 302 1 1 . 1 1 65 65 LYS H H 65 7.642 7.642 7.552 0.090 18844 303 1 1 . 1 1 66 66 LEU N N 66 119.305 119.305 120.195 -0.890 18844 304 1 1 . 1 1 66 66 LEU HA H 66 4.163 4.163 4.358 -0.195 18844 305 1 1 . 1 1 66 66 LEU CA C 66 54.847 54.847 54.394 0.453 18844 306 1 1 . 1 1 66 66 LEU CB C 66 42.712 42.712 42.919 -0.207 18844 307 1 1 . 1 1 66 66 LEU H H 66 8.516 8.516 7.631 0.885 18844 308 1 1 . 1 1 67 67 LYS N N 67 121.480 121.480 122.564 -1.084 18844 309 1 1 . 1 1 67 67 LYS HA H 67 4.497 4.497 4.412 0.085 18844 310 1 1 . 1 1 67 67 LYS CA C 67 54.152 54.152 55.645 -1.493 18844 311 1 1 . 1 1 67 67 LYS CB C 67 31.999 31.999 32.368 -0.369 18844 312 1 1 . 1 1 67 67 LYS H H 67 7.955 7.955 8.182 -0.227 18844 313 1 1 . 1 1 68 68 PRO HA H 68 4.169 4.169 4.698 -0.529 18844 314 1 1 . 1 1 68 68 PRO CA C 68 64.389 64.389 65.125 -0.736 18844 315 1 1 . 1 1 68 68 PRO CB C 68 32.214 32.214 32.189 0.025 18844 316 1 1 . 1 1 69 69 ASN N N 69 115.414 115.414 114.925 0.489 18844 317 1 1 . 1 1 69 69 ASN HA H 69 3.962 3.962 4.579 -0.617 18844 318 1 1 . 1 1 69 69 ASN CA C 69 55.021 55.021 53.659 1.362 18844 319 1 1 . 1 1 69 69 ASN CB C 69 37.047 37.047 37.532 -0.485 18844 320 1 1 . 1 1 69 69 ASN H H 69 8.966 8.966 8.143 0.823 18844 321 1 1 . 1 1 70 70 THR N N 70 115.426 115.426 115.911 -0.485 18844 322 1 1 . 1 1 70 70 THR HA H 70 3.949 3.949 4.079 -0.130 18844 323 1 1 . 1 1 70 70 THR CA C 70 65.247 65.247 64.553 0.694 18844 324 1 1 . 1 1 70 70 THR CB C 70 70.132 70.132 68.772 1.360 18844 325 1 1 . 1 1 70 70 THR H H 70 7.712 7.712 7.765 -0.053 18844 326 1 1 . 1 1 71 71 LYS N N 71 124.603 124.603 125.739 -1.136 18844 327 1 1 . 1 1 71 71 LYS HA H 71 5.179 5.179 5.083 0.096 18844 328 1 1 . 1 1 71 71 LYS CA C 71 55.340 55.340 55.520 -0.180 18844 329 1 1 . 1 1 71 71 LYS CB C 71 33.729 33.729 34.167 -0.438 18844 330 1 1 . 1 1 71 71 LYS H H 71 8.284 8.284 8.461 -0.177 18844 331 1 1 . 1 1 72 72 ILE N N 72 123.505 123.505 123.688 -0.183 18844 332 1 1 . 1 1 72 72 ILE HA H 72 4.511 4.511 4.385 0.126 18844 333 1 1 . 1 1 72 72 ILE CA C 72 59.636 59.636 59.224 0.412 18844 334 1 1 . 1 1 72 72 ILE CB C 72 40.827 40.827 39.288 1.539 18844 335 1 1 . 1 1 72 72 ILE H H 72 9.142 9.142 8.439 0.703 18844 336 1 1 . 1 1 73 73 MET N N 73 123.090 123.090 125.844 -2.754 18844 337 1 1 . 1 1 73 73 MET HA H 73 5.122 5.122 5.101 0.021 18844 338 1 1 . 1 1 73 73 MET CA C 73 54.949 54.949 55.274 -0.325 18844 339 1 1 . 1 1 73 73 MET CB C 73 35.143 35.143 35.041 0.102 18844 340 1 1 . 1 1 73 73 MET H H 73 8.556 8.556 8.916 -0.360 18844 341 1 1 . 1 1 74 74 MET N N 74 124.481 124.481 121.279 3.202 18844 342 1 1 . 1 1 74 74 MET HA H 74 5.288 5.288 4.949 0.339 18844 343 1 1 . 1 1 74 74 MET CA C 74 54.862 54.862 55.091 -0.229 18844 344 1 1 . 1 1 74 74 MET CB C 74 36.294 36.294 35.248 1.046 18844 345 1 1 . 1 1 74 74 MET H H 74 8.924 8.924 8.735 0.189 18844 346 1 1 . 1 1 75 75 MET N N 75 123.963 123.963 123.713 0.250 18844 347 1 1 . 1 1 75 75 MET HA H 75 5.093 5.093 5.024 0.069 18844 348 1 1 . 1 1 75 75 MET CA C 75 54.265 54.265 54.399 -0.134 18844 349 1 1 . 1 1 75 75 MET CB C 75 35.566 35.566 33.941 1.625 18844 350 1 1 . 1 1 75 75 MET H H 75 9.112 9.112 8.395 0.718 18844 351 1 1 . 1 1 76 76 GLY N N 76 109.773 109.773 110.730 -0.957 18844 352 1 1 . 1 1 76 76 GLY CA C 76 45.901 45.901 45.202 0.700 18844 353 1 1 . 1 1 76 76 GLY H H 76 8.711 8.711 8.774 -0.063 18844 354 1 1 . 1 1 77 77 THR N N 77 113.345 113.345 114.546 -1.201 18844 355 1 1 . 1 1 77 77 THR HA H 77 4.787 4.787 4.651 0.136 18844 356 1 1 . 1 1 77 77 THR CA C 77 60.728 60.728 60.480 0.248 18844 357 1 1 . 1 1 77 77 THR CB C 77 71.481 71.481 70.487 0.994 18844 358 1 1 . 1 1 77 77 THR H H 77 8.280 8.280 8.305 -0.025 18844 359 1 1 . 1 1 78 78 ARG N N 78 122.844 122.844 124.887 -2.043 18844 360 1 1 . 1 1 78 78 ARG HA H 78 4.148 4.148 4.167 -0.019 18844 361 1 1 . 1 1 78 78 ARG CA C 78 56.881 56.881 56.581 0.299 18844 362 1 1 . 1 1 78 78 ARG CB C 78 31.607 31.607 30.809 0.798 18844 363 1 1 . 1 1 78 78 ARG H H 78 8.852 8.852 8.475 0.377 18844 364 1 1 . 1 1 79 79 GLU N N 79 122.181 122.181 120.231 1.950 18844 365 1 1 . 1 1 79 79 GLU HA H 79 4.206 4.206 4.075 0.131 18844 366 1 1 . 1 1 79 79 GLU CA C 79 57.007 57.007 57.244 -0.237 18844 367 1 1 . 1 1 79 79 GLU CB C 79 30.764 30.764 30.139 0.625 18844 368 1 1 . 1 1 79 79 GLU H H 79 8.300 8.300 8.482 -0.182 18844 369 1 1 . 1 1 80 80 GLU N N 80 126.965 126.965 122.597 4.368 18844 370 1 1 . 1 1 80 80 GLU HA H 80 4.049 4.049 4.402 -0.353 18844 371 1 1 . 1 1 80 80 GLU CA C 80 58.328 58.328 56.400 1.928 18844 372 1 1 . 1 1 80 80 GLU CB C 80 31.287 31.287 28.648 2.639 18844 373 1 1 . 1 1 80 80 GLU H H 80 8.015 8.015 8.764 -0.749 18844 374 1 2 . 1 1 2 2 ALA N N 2 126.014 126.014 123.745 2.269 18844 375 1 2 . 1 1 2 2 ALA HA H 2 4.033 4.033 4.494 -0.461 18844 376 1 2 . 1 1 2 2 ALA CA C 2 53.215 53.215 51.737 1.478 18844 377 1 2 . 1 1 2 2 ALA CB C 2 19.376 19.376 19.681 -0.305 18844 378 1 2 . 1 1 2 2 ALA H H 2 8.410 8.410 8.320 0.090 18844 379 1 2 . 1 1 3 3 LEU N N 3 123.255 123.255 124.083 -0.828 18844 380 1 2 . 1 1 3 3 LEU HA H 3 4.646 4.646 4.622 0.024 18844 381 1 2 . 1 1 3 3 LEU CA C 3 51.817 51.817 52.118 -0.301 18844 382 1 2 . 1 1 3 3 LEU CB C 3 43.557 43.557 43.355 0.202 18844 383 1 2 . 1 1 3 3 LEU H H 3 8.271 8.271 8.509 -0.238 18844 384 1 2 . 1 1 4 4 PRO HA H 4 4.606 4.606 4.550 0.056 18844 385 1 2 . 1 1 4 4 PRO CA C 4 63.240 63.240 62.414 0.826 18844 386 1 2 . 1 1 4 4 PRO CB C 4 32.070 32.070 32.728 -0.658 18844 387 1 2 . 1 1 5 5 ILE N N 5 122.161 122.161 118.034 4.127 18844 388 1 2 . 1 1 5 5 ILE HA H 5 4.359 4.359 4.836 -0.477 18844 389 1 2 . 1 1 5 5 ILE CA C 5 60.833 60.833 60.471 0.362 18844 390 1 2 . 1 1 5 5 ILE CB C 5 43.943 43.943 42.733 1.210 18844 391 1 2 . 1 1 5 5 ILE H H 5 8.317 8.317 7.688 0.629 18844 392 1 2 . 1 1 6 6 ILE N N 6 125.649 125.649 126.000 -0.351 18844 393 1 2 . 1 1 6 6 ILE HA H 6 4.921 4.921 4.708 0.213 18844 394 1 2 . 1 1 6 6 ILE CA C 6 59.865 59.865 60.814 -0.949 18844 395 1 2 . 1 1 6 6 ILE CB C 6 40.264 40.264 40.358 -0.094 18844 396 1 2 . 1 1 6 6 ILE H H 6 8.408 8.408 8.560 -0.152 18844 397 1 2 . 1 1 7 7 VAL N N 7 125.741 125.741 126.700 -0.959 18844 398 1 2 . 1 1 7 7 VAL HA H 7 4.930 4.930 4.602 0.328 18844 399 1 2 . 1 1 7 7 VAL CA C 7 60.363 60.363 60.462 -0.099 18844 400 1 2 . 1 1 7 7 VAL CB C 7 34.759 34.759 35.104 -0.345 18844 401 1 2 . 1 1 7 7 VAL H H 7 9.155 9.155 9.129 0.026 18844 402 1 2 . 1 1 8 8 LYS N N 8 128.098 128.098 128.628 -0.530 18844 403 1 2 . 1 1 8 8 LYS HA H 8 5.232 5.232 5.189 0.043 18844 404 1 2 . 1 1 8 8 LYS CA C 8 55.275 55.275 54.774 0.501 18844 405 1 2 . 1 1 8 8 LYS CB C 8 34.935 34.935 34.016 0.919 18844 406 1 2 . 1 1 8 8 LYS H H 8 9.174 9.174 8.759 0.415 18844 407 1 2 . 1 1 9 9 TRP N N 9 125.952 125.952 128.495 -2.543 18844 408 1 2 . 1 1 9 9 TRP HA H 9 5.185 5.185 4.878 0.307 18844 409 1 2 . 1 1 9 9 TRP CA C 9 57.734 57.734 56.739 0.995 18844 410 1 2 . 1 1 9 9 TRP CB C 9 31.561 31.561 30.855 0.706 18844 411 1 2 . 1 1 9 9 TRP H H 9 8.844 8.844 8.477 0.367 18844 412 1 2 . 1 1 10 10 GLY N N 10 117.044 117.044 116.284 0.760 18844 413 1 2 . 1 1 10 10 GLY CA C 10 47.101 47.101 44.901 2.200 18844 414 1 2 . 1 1 10 10 GLY H H 10 8.683 8.683 8.542 0.141 18844 415 1 2 . 1 1 11 11 GLY N N 11 109.364 109.364 109.336 0.028 18844 416 1 2 . 1 1 11 11 GLY CA C 11 45.460 45.460 45.465 -0.005 18844 417 1 2 . 1 1 11 11 GLY H H 11 8.600 8.600 8.181 0.419 18844 418 1 2 . 1 1 12 12 GLN N N 12 119.388 119.388 118.871 0.517 18844 419 1 2 . 1 1 12 12 GLN HA H 12 4.483 4.483 4.633 -0.150 18844 420 1 2 . 1 1 12 12 GLN CA C 12 54.502 54.502 54.476 0.026 18844 421 1 2 . 1 1 12 12 GLN CB C 12 32.178 32.178 31.971 0.207 18844 422 1 2 . 1 1 12 12 GLN H H 12 7.865 7.865 7.847 0.018 18844 423 1 2 . 1 1 13 13 GLU N N 13 119.756 119.756 118.595 1.161 18844 424 1 2 . 1 1 13 13 GLU HA H 13 4.880 4.880 4.838 0.042 18844 425 1 2 . 1 1 13 13 GLU CA C 13 55.655 55.655 55.337 0.318 18844 426 1 2 . 1 1 13 13 GLU CB C 13 32.306 32.306 32.613 -0.307 18844 427 1 2 . 1 1 13 13 GLU H H 13 8.172 8.172 8.372 -0.200 18844 428 1 2 . 1 1 14 14 TYR N N 14 122.812 122.812 121.485 1.327 18844 429 1 2 . 1 1 14 14 TYR HA H 14 4.601 4.601 4.809 -0.208 18844 430 1 2 . 1 1 14 14 TYR CA C 14 57.246 57.246 56.845 0.401 18844 431 1 2 . 1 1 14 14 TYR CB C 14 40.544 40.544 41.320 -0.776 18844 432 1 2 . 1 1 14 14 TYR H H 14 9.381 9.381 8.842 0.539 18844 433 1 2 . 1 1 15 15 SER N N 15 118.339 118.339 119.410 -1.071 18844 434 1 2 . 1 1 15 15 SER HA H 15 4.747 4.747 4.719 0.028 18844 435 1 2 . 1 1 15 15 SER CA C 15 58.099 58.099 57.988 0.111 18844 436 1 2 . 1 1 15 15 SER CB C 15 63.394 63.394 63.968 -0.574 18844 437 1 2 . 1 1 15 15 SER H H 15 8.802 8.802 8.811 -0.009 18844 438 1 2 . 1 1 16 16 VAL N N 16 128.611 128.611 125.024 3.587 18844 439 1 2 . 1 1 16 16 VAL HA H 16 4.205 4.205 4.372 -0.167 18844 440 1 2 . 1 1 16 16 VAL CA C 16 62.344 62.344 62.363 -0.019 18844 441 1 2 . 1 1 16 16 VAL CB C 16 32.528 32.528 32.962 -0.434 18844 442 1 2 . 1 1 16 16 VAL H H 16 9.005 9.005 8.778 0.227 18844 443 1 2 . 1 1 17 17 THR N N 17 116.170 116.170 117.996 -1.826 18844 444 1 2 . 1 1 17 17 THR HA H 17 4.533 4.533 4.653 -0.120 18844 445 1 2 . 1 1 17 17 THR CA C 17 62.331 62.331 61.808 0.523 18844 446 1 2 . 1 1 17 17 THR CB C 17 70.040 70.040 69.174 0.867 18844 447 1 2 . 1 1 17 17 THR H H 17 8.746 8.746 8.559 0.187 18844 448 1 2 . 1 1 18 18 THR N N 18 107.517 107.517 116.215 -8.698 18844 449 1 2 . 1 1 18 18 THR HA H 18 4.173 4.173 4.157 0.016 18844 450 1 2 . 1 1 18 18 THR CA C 18 61.772 61.772 62.948 -1.176 18844 451 1 2 . 1 1 18 18 THR CB C 18 69.121 69.121 68.909 0.213 18844 452 1 2 . 1 1 18 18 THR H H 18 6.812 6.812 8.043 -1.231 18844 453 1 2 . 1 1 19 19 LEU N N 19 123.019 123.019 122.850 0.169 18844 454 1 2 . 1 1 19 19 LEU HA H 19 4.583 4.583 4.341 0.242 18844 455 1 2 . 1 1 19 19 LEU CA C 19 54.180 54.180 54.127 0.053 18844 456 1 2 . 1 1 19 19 LEU CB C 19 42.711 42.711 42.900 -0.189 18844 457 1 2 . 1 1 19 19 LEU H H 19 8.388 8.388 7.725 0.663 18844 458 1 2 . 1 1 20 20 SER N N 20 117.870 117.870 115.251 2.619 18844 459 1 2 . 1 1 20 20 SER HA H 20 4.863 4.863 4.932 -0.069 18844 460 1 2 . 1 1 20 20 SER CA C 20 56.832 56.832 56.618 0.214 18844 461 1 2 . 1 1 20 20 SER CB C 20 67.845 67.845 66.462 1.383 18844 462 1 2 . 1 1 20 20 SER H H 20 9.714 9.714 8.809 0.905 18844 463 1 2 . 1 1 21 21 GLU N N 21 116.130 116.130 120.779 -4.649 18844 464 1 2 . 1 1 21 21 GLU HA H 21 3.740 3.740 3.998 -0.258 18844 465 1 2 . 1 1 21 21 GLU CA C 21 59.134 59.134 59.299 -0.165 18844 466 1 2 . 1 1 21 21 GLU CB C 21 30.854 30.854 29.166 1.688 18844 467 1 2 . 1 1 21 21 GLU H H 21 8.491 8.491 9.145 -0.654 18844 468 1 2 . 1 1 22 22 ASP N N 22 115.741 115.741 118.703 -2.962 18844 469 1 2 . 1 1 22 22 ASP HA H 22 4.650 4.650 4.558 0.092 18844 470 1 2 . 1 1 22 22 ASP CA C 22 55.156 55.156 55.445 -0.289 18844 471 1 2 . 1 1 22 22 ASP CB C 22 42.579 42.579 40.644 1.935 18844 472 1 2 . 1 1 22 22 ASP H H 22 7.936 7.936 8.449 -0.513 18844 473 1 2 . 1 1 23 23 ASP N N 23 119.945 119.945 118.646 1.299 18844 474 1 2 . 1 1 23 23 ASP HA H 23 4.841 4.841 4.796 0.045 18844 475 1 2 . 1 1 23 23 ASP CA C 23 55.223 55.223 53.832 1.391 18844 476 1 2 . 1 1 23 23 ASP CB C 23 42.782 42.782 42.384 0.398 18844 477 1 2 . 1 1 23 23 ASP H H 23 7.313 7.313 8.010 -0.697 18844 478 1 2 . 1 1 24 24 THR N N 24 107.918 107.918 109.519 -1.601 18844 479 1 2 . 1 1 24 24 THR HA H 24 5.328 5.328 4.789 0.539 18844 480 1 2 . 1 1 24 24 THR CA C 24 60.989 60.989 60.118 0.871 18844 481 1 2 . 1 1 24 24 THR CB C 24 74.287 74.287 72.093 2.195 18844 482 1 2 . 1 1 24 24 THR H H 24 9.630 9.630 7.839 1.791 18844 483 1 2 . 1 1 25 25 VAL N N 25 120.192 120.192 121.298 -1.106 18844 484 1 2 . 1 1 25 25 VAL HA H 25 3.334 3.334 3.741 -0.407 18844 485 1 2 . 1 1 25 25 VAL CA C 25 67.626 67.626 67.120 0.506 18844 486 1 2 . 1 1 25 25 VAL CB C 25 32.149 32.149 31.291 0.858 18844 487 1 2 . 1 1 25 25 VAL H H 25 8.260 8.260 8.555 -0.295 18844 488 1 2 . 1 1 26 26 LEU N N 26 119.941 119.941 117.968 1.973 18844 489 1 2 . 1 1 26 26 LEU HA H 26 3.872 3.872 4.025 -0.153 18844 490 1 2 . 1 1 26 26 LEU CA C 26 58.592 58.592 58.160 0.432 18844 491 1 2 . 1 1 26 26 LEU CB C 26 41.716 41.716 41.152 0.564 18844 492 1 2 . 1 1 26 26 LEU H H 26 8.523 8.523 7.344 1.179 18844 493 1 2 . 1 1 27 27 ASP N N 27 118.322 118.322 118.709 -0.387 18844 494 1 2 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.420 -0.147 18844 495 1 2 . 1 1 27 27 ASP CA C 27 58.663 58.663 56.847 1.816 18844 496 1 2 . 1 1 27 27 ASP CB C 27 40.931 40.931 40.548 0.383 18844 497 1 2 . 1 1 27 27 ASP H H 27 7.581 7.581 8.308 -0.727 18844 498 1 2 . 1 1 28 28 LEU N N 28 122.021 122.021 120.159 1.862 18844 499 1 2 . 1 1 28 28 LEU HA H 28 4.083 4.083 4.204 -0.121 18844 500 1 2 . 1 1 28 28 LEU CA C 28 58.772 58.772 57.592 1.181 18844 501 1 2 . 1 1 28 28 LEU CB C 28 41.225 41.225 42.404 -1.179 18844 502 1 2 . 1 1 28 28 LEU H H 28 7.837 7.837 7.437 0.400 18844 503 1 2 . 1 1 29 29 LYS N N 29 119.086 119.086 119.610 -0.524 18844 504 1 2 . 1 1 29 29 LYS HA H 29 4.520 4.520 3.944 0.576 18844 505 1 2 . 1 1 29 29 LYS CA C 29 59.787 59.787 60.640 -0.853 18844 506 1 2 . 1 1 29 29 LYS CB C 29 34.297 34.297 32.168 2.129 18844 507 1 2 . 1 1 29 29 LYS H H 29 8.467 8.467 8.565 -0.098 18844 508 1 2 . 1 1 30 30 GLN N N 30 119.268 119.268 118.770 0.498 18844 509 1 2 . 1 1 30 30 GLN HA H 30 3.932 3.932 4.039 -0.107 18844 510 1 2 . 1 1 30 30 GLN CA C 30 59.663 59.663 58.571 1.092 18844 511 1 2 . 1 1 30 30 GLN CB C 30 27.806 27.806 28.026 -0.220 18844 512 1 2 . 1 1 30 30 GLN H H 30 9.049 9.049 7.991 1.058 18844 513 1 2 . 1 1 31 31 PHE N N 31 121.690 121.690 120.312 1.378 18844 514 1 2 . 1 1 31 31 PHE HA H 31 4.218 4.218 4.300 -0.082 18844 515 1 2 . 1 1 31 31 PHE CA C 31 61.967 61.967 60.514 1.452 18844 516 1 2 . 1 1 31 31 PHE CB C 31 39.374 39.374 39.612 -0.238 18844 517 1 2 . 1 1 31 31 PHE H H 31 8.039 8.039 7.433 0.606 18844 518 1 2 . 1 1 32 32 LEU N N 32 118.232 118.232 118.079 0.153 18844 519 1 2 . 1 1 32 32 LEU HA H 32 3.637 3.637 3.941 -0.304 18844 520 1 2 . 1 1 32 32 LEU CA C 32 57.708 57.708 58.183 -0.475 18844 521 1 2 . 1 1 32 32 LEU CB C 32 41.270 41.270 41.304 -0.034 18844 522 1 2 . 1 1 32 32 LEU H H 32 8.776 8.776 8.424 0.352 18844 523 1 2 . 1 1 33 33 LYS N N 33 125.920 125.920 118.933 6.987 18844 524 1 2 . 1 1 33 33 LYS HA H 33 3.802 3.802 3.881 -0.079 18844 525 1 2 . 1 1 33 33 LYS CA C 33 60.116 60.116 59.102 1.014 18844 526 1 2 . 1 1 33 33 LYS CB C 33 31.701 31.701 31.487 0.214 18844 527 1 2 . 1 1 33 33 LYS H H 33 8.237 8.237 8.466 -0.229 18844 528 1 2 . 1 1 34 34 THR N N 34 114.544 114.544 112.009 2.535 18844 529 1 2 . 1 1 34 34 THR HA H 34 3.773 3.773 4.068 -0.295 18844 530 1 2 . 1 1 34 34 THR CA C 34 65.749 65.749 63.873 1.876 18844 531 1 2 . 1 1 34 34 THR CB C 34 68.620 68.620 68.717 -0.097 18844 532 1 2 . 1 1 34 34 THR H H 34 7.281 7.281 7.089 0.192 18844 533 1 2 . 1 1 35 35 LEU N N 35 117.590 117.590 120.308 -2.718 18844 534 1 2 . 1 1 35 35 LEU HA H 35 4.018 4.018 4.089 -0.071 18844 535 1 2 . 1 1 35 35 LEU CA C 35 57.015 57.015 57.092 -0.077 18844 536 1 2 . 1 1 35 35 LEU CB C 35 44.003 44.003 42.603 1.400 18844 537 1 2 . 1 1 35 35 LEU H H 35 6.752 6.752 7.610 -0.858 18844 538 1 2 . 1 1 36 36 THR N N 36 104.865 104.865 109.911 -5.046 18844 539 1 2 . 1 1 36 36 THR HA H 36 3.967 3.967 4.333 -0.366 18844 540 1 2 . 1 1 36 36 THR CA C 36 62.756 62.756 62.002 0.754 18844 541 1 2 . 1 1 36 36 THR CB C 36 72.343 72.343 70.265 2.078 18844 542 1 2 . 1 1 36 36 THR H H 36 7.675 7.675 7.632 0.043 18844 543 1 2 . 1 1 37 37 GLY N N 37 109.795 109.795 108.984 0.811 18844 544 1 2 . 1 1 37 37 GLY CA C 37 45.559 45.559 44.347 1.212 18844 545 1 2 . 1 1 37 37 GLY H H 37 7.971 7.971 7.409 0.562 18844 546 1 2 . 1 1 38 38 VAL N N 38 122.557 122.557 119.813 2.744 18844 547 1 2 . 1 1 38 38 VAL HA H 38 3.638 3.638 4.053 -0.415 18844 548 1 2 . 1 1 38 38 VAL CA C 38 62.437 62.437 60.426 2.011 18844 549 1 2 . 1 1 38 38 VAL CB C 38 31.390 31.390 33.255 -1.865 18844 550 1 2 . 1 1 38 38 VAL H H 38 7.533 7.533 7.583 -0.050 18844 551 1 2 . 1 1 39 39 LEU N N 39 127.828 127.828 122.607 5.221 18844 552 1 2 . 1 1 39 39 LEU HA H 39 3.994 3.994 4.424 -0.430 18844 553 1 2 . 1 1 39 39 LEU CA C 39 54.437 54.437 53.327 1.110 18844 554 1 2 . 1 1 39 39 LEU CB C 39 40.557 40.557 40.047 0.510 18844 555 1 2 . 1 1 39 39 LEU H H 39 8.634 8.634 8.285 0.349 18844 556 1 2 . 1 1 40 40 PRO HA H 40 3.839 3.839 4.560 -0.721 18844 557 1 2 . 1 1 40 40 PRO CA C 40 66.989 66.989 64.729 2.260 18844 558 1 2 . 1 1 40 40 PRO CB C 40 32.322 32.322 31.980 0.342 18844 559 1 2 . 1 1 41 41 GLU N N 41 114.752 114.752 118.007 -3.255 18844 560 1 2 . 1 1 41 41 GLU HA H 41 4.071 4.071 4.071 0.000 18844 561 1 2 . 1 1 41 41 GLU CA C 41 58.938 58.938 58.607 0.331 18844 562 1 2 . 1 1 41 41 GLU CB C 41 28.824 28.824 29.465 -0.641 18844 563 1 2 . 1 1 41 41 GLU H H 41 9.746 9.746 8.659 1.087 18844 564 1 2 . 1 1 42 42 ARG N N 42 118.145 118.145 115.950 2.195 18844 565 1 2 . 1 1 42 42 ARG HA H 42 4.315 4.315 4.420 -0.105 18844 566 1 2 . 1 1 42 42 ARG CA C 42 55.448 55.448 56.833 -1.385 18844 567 1 2 . 1 1 42 42 ARG CB C 42 31.105 31.105 31.843 -0.738 18844 568 1 2 . 1 1 42 42 ARG H H 42 7.938 7.938 7.554 0.384 18844 569 1 2 . 1 1 43 43 GLN N N 43 118.250 118.250 118.377 -0.127 18844 570 1 2 . 1 1 43 43 GLN HA H 43 4.251 4.251 4.760 -0.509 18844 571 1 2 . 1 1 43 43 GLN CA C 43 56.537 56.537 54.669 1.868 18844 572 1 2 . 1 1 43 43 GLN CB C 43 30.992 30.992 30.873 0.119 18844 573 1 2 . 1 1 43 43 GLN H H 43 7.034 7.034 7.783 -0.749 18844 574 1 2 . 1 1 44 44 LYS N N 44 122.693 122.693 119.818 2.875 18844 575 1 2 . 1 1 44 44 LYS HA H 44 4.464 4.464 4.724 -0.260 18844 576 1 2 . 1 1 44 44 LYS CA C 44 55.552 55.552 54.525 1.027 18844 577 1 2 . 1 1 44 44 LYS CB C 44 34.325 34.325 34.875 -0.550 18844 578 1 2 . 1 1 44 44 LYS H H 44 8.806 8.806 8.814 -0.008 18844 579 1 2 . 1 1 45 45 LEU N N 45 124.806 124.806 124.159 0.647 18844 580 1 2 . 1 1 45 45 LEU HA H 45 4.943 4.943 4.235 0.708 18844 581 1 2 . 1 1 45 45 LEU CA C 45 53.542 53.542 55.089 -1.547 18844 582 1 2 . 1 1 45 45 LEU CB C 45 41.821 41.821 40.910 0.911 18844 583 1 2 . 1 1 45 45 LEU H H 45 8.704 8.704 8.708 -0.004 18844 584 1 2 . 1 1 46 46 LEU N N 46 124.709 124.709 126.056 -1.347 18844 585 1 2 . 1 1 46 46 LEU HA H 46 4.358 4.358 4.359 -0.001 18844 586 1 2 . 1 1 46 46 LEU CA C 46 55.759 55.759 56.958 -1.199 18844 587 1 2 . 1 1 46 46 LEU CB C 46 42.526 42.526 41.684 0.842 18844 588 1 2 . 1 1 46 46 LEU H H 46 8.751 8.751 7.862 0.889 18844 589 1 2 . 1 1 47 47 GLY N N 47 109.276 109.276 106.993 2.283 18844 590 1 2 . 1 1 47 47 GLY CA C 47 45.560 45.560 44.721 0.839 18844 591 1 2 . 1 1 47 47 GLY H H 47 8.300 8.300 8.385 -0.085 18844 592 1 2 . 1 1 48 48 LEU N N 48 119.707 119.707 117.297 2.410 18844 593 1 2 . 1 1 48 48 LEU HA H 48 4.590 4.590 4.192 0.398 18844 594 1 2 . 1 1 48 48 LEU CA C 48 53.945 53.945 56.491 -2.546 18844 595 1 2 . 1 1 48 48 LEU CB C 48 41.414 41.414 42.128 -0.714 18844 596 1 2 . 1 1 48 48 LEU H H 48 7.581 7.581 7.386 0.195 18844 597 1 2 . 1 1 49 49 LYS N N 49 124.527 124.527 117.881 6.646 18844 598 1 2 . 1 1 49 49 LYS HA H 49 4.852 4.852 4.591 0.261 18844 599 1 2 . 1 1 49 49 LYS CA C 49 55.663 55.663 54.981 0.681 18844 600 1 2 . 1 1 49 49 LYS CB C 49 37.581 37.581 34.565 3.016 18844 601 1 2 . 1 1 49 49 LYS H H 49 8.606 8.606 7.331 1.275 18844 602 1 2 . 1 1 50 50 VAL N N 50 119.184 119.184 121.284 -2.100 18844 603 1 2 . 1 1 50 50 VAL HA H 50 4.113 4.113 4.285 -0.172 18844 604 1 2 . 1 1 50 50 VAL CA C 50 61.865 61.865 61.185 0.680 18844 605 1 2 . 1 1 50 50 VAL CB C 50 34.734 34.734 35.458 -0.724 18844 606 1 2 . 1 1 50 50 VAL H H 50 8.799 8.799 8.667 0.132 18844 607 1 2 . 1 1 51 51 LYS N N 51 127.069 127.069 124.786 2.283 18844 608 1 2 . 1 1 51 51 LYS HA H 51 3.824 3.824 3.988 -0.164 18844 609 1 2 . 1 1 51 51 LYS CA C 51 57.407 57.407 56.911 0.496 18844 610 1 2 . 1 1 51 51 LYS CB C 51 30.655 30.655 30.805 -0.150 18844 611 1 2 . 1 1 51 51 LYS H H 51 9.451 9.451 9.131 0.320 18844 612 1 2 . 1 1 52 52 GLY N N 52 102.671 102.671 104.624 -1.953 18844 613 1 2 . 1 1 52 52 GLY CA C 52 45.810 45.810 44.998 0.812 18844 614 1 2 . 1 1 52 52 GLY H H 52 8.512 8.512 8.257 0.255 18844 615 1 2 . 1 1 53 53 LYS N N 53 121.307 121.307 121.797 -0.490 18844 616 1 2 . 1 1 53 53 LYS HA H 53 4.829 4.829 4.652 0.177 18844 617 1 2 . 1 1 53 53 LYS CA C 53 53.616 53.616 53.333 0.283 18844 618 1 2 . 1 1 53 53 LYS CB C 53 33.940 33.940 32.179 1.761 18844 619 1 2 . 1 1 53 53 LYS H H 53 7.781 7.781 7.889 -0.108 18844 620 1 2 . 1 1 54 54 PRO HA H 54 4.376 4.376 4.296 0.080 18844 621 1 2 . 1 1 54 54 PRO CA C 54 63.817 63.817 64.173 -0.356 18844 622 1 2 . 1 1 54 54 PRO CB C 54 32.151 32.151 31.904 0.247 18844 623 1 2 . 1 1 55 55 ALA N N 55 125.654 125.654 118.578 7.076 18844 624 1 2 . 1 1 55 55 ALA HA H 55 4.138 4.138 3.933 0.205 18844 625 1 2 . 1 1 55 55 ALA CA C 55 52.664 52.664 52.907 -0.243 18844 626 1 2 . 1 1 55 55 ALA CB C 55 20.044 20.044 17.887 2.157 18844 627 1 2 . 1 1 55 55 ALA H H 55 8.114 8.114 8.100 0.014 18844 628 1 2 . 1 1 56 56 GLU N N 56 122.313 122.313 118.230 4.083 18844 629 1 2 . 1 1 56 56 GLU HA H 56 4.215 4.215 4.044 0.171 18844 630 1 2 . 1 1 56 56 GLU CA C 56 56.089 56.089 59.258 -3.169 18844 631 1 2 . 1 1 56 56 GLU CB C 56 31.086 31.086 30.207 0.878 18844 632 1 2 . 1 1 56 56 GLU H H 56 8.179 8.179 8.624 -0.445 18844 633 1 2 . 1 1 57 57 ASN N N 57 115.140 115.140 109.871 5.269 18844 634 1 2 . 1 1 57 57 ASN HA H 57 4.229 4.229 4.699 -0.470 18844 635 1 2 . 1 1 57 57 ASN CA C 57 55.199 55.199 53.970 1.229 18844 636 1 2 . 1 1 57 57 ASN CB C 57 39.227 39.227 38.646 0.581 18844 637 1 2 . 1 1 57 57 ASN H H 57 8.504 8.504 7.978 0.526 18844 638 1 2 . 1 1 58 58 ASP N N 58 112.832 112.832 119.892 -7.060 18844 639 1 2 . 1 1 58 58 ASP HA H 58 4.488 4.488 4.574 -0.086 18844 640 1 2 . 1 1 58 58 ASP CA C 58 53.608 53.608 55.022 -1.414 18844 641 1 2 . 1 1 58 58 ASP CB C 58 40.304 40.304 40.476 -0.172 18844 642 1 2 . 1 1 58 58 ASP H H 58 8.198 8.198 8.597 -0.399 18844 643 1 2 . 1 1 59 59 VAL N N 59 122.073 122.073 119.185 2.888 18844 644 1 2 . 1 1 59 59 VAL HA H 59 3.593 3.593 4.110 -0.517 18844 645 1 2 . 1 1 59 59 VAL CA C 59 63.840 63.840 60.990 2.850 18844 646 1 2 . 1 1 59 59 VAL CB C 59 32.322 32.322 33.092 -0.770 18844 647 1 2 . 1 1 59 59 VAL H H 59 7.353 7.353 7.482 -0.129 18844 648 1 2 . 1 1 60 60 LYS N N 60 125.064 125.064 124.038 1.026 18844 649 1 2 . 1 1 60 60 LYS HA H 60 4.447 4.447 4.544 -0.097 18844 650 1 2 . 1 1 60 60 LYS CA C 60 56.185 56.185 55.508 0.677 18844 651 1 2 . 1 1 60 60 LYS CB C 60 33.105 33.105 33.541 -0.436 18844 652 1 2 . 1 1 60 60 LYS H H 60 8.339 8.339 8.282 0.057 18844 653 1 2 . 1 1 61 61 LEU N N 61 121.612 121.612 122.739 -1.127 18844 654 1 2 . 1 1 61 61 LEU HA H 61 3.776 3.776 3.997 -0.221 18844 655 1 2 . 1 1 61 61 LEU CA C 61 57.987 57.987 57.927 0.060 18844 656 1 2 . 1 1 61 61 LEU CB C 61 40.832 40.832 41.723 -0.891 18844 657 1 2 . 1 1 61 61 LEU H H 61 9.423 9.423 8.896 0.527 18844 658 1 2 . 1 1 62 62 GLY N N 62 104.008 104.008 103.423 0.585 18844 659 1 2 . 1 1 62 62 GLY CA C 62 46.772 46.772 45.693 1.079 18844 660 1 2 . 1 1 62 62 GLY H H 62 9.107 9.107 7.925 1.182 18844 661 1 2 . 1 1 63 63 ALA N N 63 122.025 122.025 122.412 -0.387 18844 662 1 2 . 1 1 63 63 ALA HA H 63 4.273 4.273 4.434 -0.161 18844 663 1 2 . 1 1 63 63 ALA CA C 63 53.421 53.421 53.198 0.223 18844 664 1 2 . 1 1 63 63 ALA CB C 63 18.816 18.816 18.996 -0.180 18844 665 1 2 . 1 1 63 63 ALA H H 63 7.755 7.755 7.634 0.121 18844 666 1 2 . 1 1 64 64 LEU N N 64 115.454 115.454 115.710 -0.256 18844 667 1 2 . 1 1 64 64 LEU HA H 64 4.068 4.068 4.262 -0.194 18844 668 1 2 . 1 1 64 64 LEU CA C 64 55.567 55.567 55.018 0.549 18844 669 1 2 . 1 1 64 64 LEU CB C 64 42.136 42.136 42.274 -0.138 18844 670 1 2 . 1 1 64 64 LEU H H 64 7.214 7.214 7.301 -0.087 18844 671 1 2 . 1 1 65 65 LYS N N 65 114.830 114.830 114.567 0.263 18844 672 1 2 . 1 1 65 65 LYS HA H 65 3.838 3.838 3.902 -0.064 18844 673 1 2 . 1 1 65 65 LYS CA C 65 56.737 56.737 56.713 0.024 18844 674 1 2 . 1 1 65 65 LYS CB C 65 29.307 29.307 29.310 -0.003 18844 675 1 2 . 1 1 65 65 LYS H H 65 7.642 7.642 7.723 -0.081 18844 676 1 2 . 1 1 66 66 LEU N N 66 119.305 119.305 120.134 -0.829 18844 677 1 2 . 1 1 66 66 LEU HA H 66 4.163 4.163 4.308 -0.145 18844 678 1 2 . 1 1 66 66 LEU CA C 66 54.847 54.847 54.411 0.436 18844 679 1 2 . 1 1 66 66 LEU CB C 66 42.712 42.712 43.172 -0.460 18844 680 1 2 . 1 1 66 66 LEU H H 66 8.516 8.516 7.735 0.781 18844 681 1 2 . 1 1 67 67 LYS N N 67 121.480 121.480 123.091 -1.611 18844 682 1 2 . 1 1 67 67 LYS HA H 67 4.497 4.497 4.396 0.101 18844 683 1 2 . 1 1 67 67 LYS CA C 67 54.152 54.152 55.733 -1.581 18844 684 1 2 . 1 1 67 67 LYS CB C 67 31.999 31.999 32.222 -0.223 18844 685 1 2 . 1 1 67 67 LYS H H 67 7.955 7.955 8.127 -0.172 18844 686 1 2 . 1 1 68 68 PRO HA H 68 4.169 4.169 4.677 -0.508 18844 687 1 2 . 1 1 68 68 PRO CA C 68 64.389 64.389 65.123 -0.734 18844 688 1 2 . 1 1 68 68 PRO CB C 68 32.214 32.214 32.297 -0.083 18844 689 1 2 . 1 1 69 69 ASN N N 69 115.414 115.414 116.266 -0.852 18844 690 1 2 . 1 1 69 69 ASN HA H 69 3.962 3.962 4.618 -0.656 18844 691 1 2 . 1 1 69 69 ASN CA C 69 55.021 55.021 53.894 1.127 18844 692 1 2 . 1 1 69 69 ASN CB C 69 37.047 37.047 37.991 -0.944 18844 693 1 2 . 1 1 69 69 ASN H H 69 8.966 8.966 8.272 0.694 18844 694 1 2 . 1 1 70 70 THR N N 70 115.426 115.426 117.614 -2.188 18844 695 1 2 . 1 1 70 70 THR HA H 70 3.949 3.949 4.141 -0.192 18844 696 1 2 . 1 1 70 70 THR CA C 70 65.247 65.247 64.391 0.856 18844 697 1 2 . 1 1 70 70 THR CB C 70 70.132 70.132 69.558 0.574 18844 698 1 2 . 1 1 70 70 THR H H 70 7.712 7.712 7.767 -0.055 18844 699 1 2 . 1 1 71 71 LYS N N 71 124.603 124.603 125.009 -0.406 18844 700 1 2 . 1 1 71 71 LYS HA H 71 5.179 5.179 5.036 0.143 18844 701 1 2 . 1 1 71 71 LYS CA C 71 55.340 55.340 55.354 -0.014 18844 702 1 2 . 1 1 71 71 LYS CB C 71 33.729 33.729 34.107 -0.378 18844 703 1 2 . 1 1 71 71 LYS H H 71 8.284 8.284 8.275 0.009 18844 704 1 2 . 1 1 72 72 ILE N N 72 123.505 123.505 123.670 -0.165 18844 705 1 2 . 1 1 72 72 ILE HA H 72 4.511 4.511 4.382 0.129 18844 706 1 2 . 1 1 72 72 ILE CA C 72 59.636 59.636 59.235 0.401 18844 707 1 2 . 1 1 72 72 ILE CB C 72 40.827 40.827 39.446 1.381 18844 708 1 2 . 1 1 72 72 ILE H H 72 9.142 9.142 8.460 0.682 18844 709 1 2 . 1 1 73 73 MET N N 73 123.090 123.090 125.818 -2.728 18844 710 1 2 . 1 1 73 73 MET HA H 73 5.122 5.122 5.111 0.011 18844 711 1 2 . 1 1 73 73 MET CA C 73 54.949 54.949 55.236 -0.287 18844 712 1 2 . 1 1 73 73 MET CB C 73 35.143 35.143 35.050 0.093 18844 713 1 2 . 1 1 73 73 MET H H 73 8.556 8.556 8.895 -0.339 18844 714 1 2 . 1 1 74 74 MET N N 74 124.481 124.481 120.893 3.588 18844 715 1 2 . 1 1 74 74 MET HA H 74 5.288 5.288 4.970 0.318 18844 716 1 2 . 1 1 74 74 MET CA C 74 54.862 54.862 55.134 -0.272 18844 717 1 2 . 1 1 74 74 MET CB C 74 36.294 36.294 35.771 0.523 18844 718 1 2 . 1 1 74 74 MET H H 74 8.924 8.924 8.664 0.260 18844 719 1 2 . 1 1 75 75 MET N N 75 123.963 123.963 122.778 1.185 18844 720 1 2 . 1 1 75 75 MET HA H 75 5.093 5.093 5.027 0.066 18844 721 1 2 . 1 1 75 75 MET CA C 75 54.265 54.265 54.349 -0.084 18844 722 1 2 . 1 1 75 75 MET CB C 75 35.566 35.566 34.818 0.748 18844 723 1 2 . 1 1 75 75 MET H H 75 9.112 9.112 8.756 0.356 18844 724 1 2 . 1 1 76 76 GLY N N 76 109.773 109.773 110.736 -0.963 18844 725 1 2 . 1 1 76 76 GLY CA C 76 45.901 45.901 45.110 0.791 18844 726 1 2 . 1 1 76 76 GLY H H 76 8.711 8.711 8.742 -0.031 18844 727 1 2 . 1 1 77 77 THR N N 77 113.345 113.345 115.267 -1.922 18844 728 1 2 . 1 1 77 77 THR HA H 77 4.787 4.787 4.650 0.137 18844 729 1 2 . 1 1 77 77 THR CA C 77 60.728 60.728 60.174 0.554 18844 730 1 2 . 1 1 77 77 THR CB C 77 71.481 71.481 70.100 1.381 18844 731 1 2 . 1 1 77 77 THR H H 77 8.280 8.280 8.214 0.066 18844 732 1 2 . 1 1 78 78 ARG N N 78 122.844 122.844 126.491 -3.647 18844 733 1 2 . 1 1 78 78 ARG HA H 78 4.148 4.148 4.520 -0.372 18844 734 1 2 . 1 1 78 78 ARG CA C 78 56.881 56.881 54.822 2.059 18844 735 1 2 . 1 1 78 78 ARG CB C 78 31.607 31.607 31.149 0.458 18844 736 1 2 . 1 1 78 78 ARG H H 78 8.852 8.852 8.321 0.531 18844 737 1 2 . 1 1 79 79 GLU N N 79 122.181 122.181 121.618 0.563 18844 738 1 2 . 1 1 79 79 GLU HA H 79 4.206 4.206 4.124 0.082 18844 739 1 2 . 1 1 79 79 GLU CA C 79 57.007 57.007 56.616 0.391 18844 740 1 2 . 1 1 79 79 GLU CB C 79 30.764 30.764 30.156 0.608 18844 741 1 2 . 1 1 79 79 GLU H H 79 8.300 8.300 8.445 -0.145 18844 742 1 2 . 1 1 80 80 GLU N N 80 126.965 126.965 120.814 6.151 18844 743 1 2 . 1 1 80 80 GLU HA H 80 4.049 4.049 4.471 -0.422 18844 744 1 2 . 1 1 80 80 GLU CA C 80 58.328 58.328 56.173 2.155 18844 745 1 2 . 1 1 80 80 GLU CB C 80 31.287 31.287 28.898 2.389 18844 746 1 2 . 1 1 80 80 GLU H H 80 8.015 8.015 8.587 -0.572 18844 747 1 3 . 1 1 2 2 ALA N N 2 126.014 126.014 123.581 2.433 18844 748 1 3 . 1 1 2 2 ALA HA H 2 4.033 4.033 4.554 -0.521 18844 749 1 3 . 1 1 2 2 ALA CA C 2 53.215 53.215 51.573 1.642 18844 750 1 3 . 1 1 2 2 ALA CB C 2 19.376 19.376 19.834 -0.459 18844 751 1 3 . 1 1 2 2 ALA H H 2 8.410 8.410 8.282 0.128 18844 752 1 3 . 1 1 3 3 LEU N N 3 123.255 123.255 123.693 -0.438 18844 753 1 3 . 1 1 3 3 LEU HA H 3 4.646 4.646 4.605 0.041 18844 754 1 3 . 1 1 3 3 LEU CA C 3 51.817 51.817 52.213 -0.396 18844 755 1 3 . 1 1 3 3 LEU CB C 3 43.557 43.557 43.202 0.355 18844 756 1 3 . 1 1 3 3 LEU H H 3 8.271 8.271 8.469 -0.198 18844 757 1 3 . 1 1 4 4 PRO HA H 4 4.606 4.606 4.613 -0.007 18844 758 1 3 . 1 1 4 4 PRO CA C 4 63.240 63.240 62.360 0.880 18844 759 1 3 . 1 1 4 4 PRO CB C 4 32.070 32.070 32.794 -0.724 18844 760 1 3 . 1 1 5 5 ILE N N 5 122.161 122.161 118.147 4.014 18844 761 1 3 . 1 1 5 5 ILE HA H 5 4.359 4.359 4.841 -0.482 18844 762 1 3 . 1 1 5 5 ILE CA C 5 60.833 60.833 60.473 0.360 18844 763 1 3 . 1 1 5 5 ILE CB C 5 43.943 43.943 42.806 1.137 18844 764 1 3 . 1 1 5 5 ILE H H 5 8.317 8.317 7.699 0.618 18844 765 1 3 . 1 1 6 6 ILE N N 6 125.649 125.649 126.107 -0.458 18844 766 1 3 . 1 1 6 6 ILE HA H 6 4.921 4.921 4.732 0.189 18844 767 1 3 . 1 1 6 6 ILE CA C 6 59.865 59.865 60.837 -0.972 18844 768 1 3 . 1 1 6 6 ILE CB C 6 40.264 40.264 40.324 -0.060 18844 769 1 3 . 1 1 6 6 ILE H H 6 8.408 8.408 8.412 -0.004 18844 770 1 3 . 1 1 7 7 VAL N N 7 125.741 125.741 126.839 -1.098 18844 771 1 3 . 1 1 7 7 VAL HA H 7 4.930 4.930 4.608 0.322 18844 772 1 3 . 1 1 7 7 VAL CA C 7 60.363 60.363 60.457 -0.094 18844 773 1 3 . 1 1 7 7 VAL CB C 7 34.759 34.759 35.158 -0.399 18844 774 1 3 . 1 1 7 7 VAL H H 7 9.155 9.155 9.131 0.024 18844 775 1 3 . 1 1 8 8 LYS N N 8 128.098 128.098 128.744 -0.646 18844 776 1 3 . 1 1 8 8 LYS HA H 8 5.232 5.232 5.457 -0.225 18844 777 1 3 . 1 1 8 8 LYS CA C 8 55.275 55.275 54.539 0.736 18844 778 1 3 . 1 1 8 8 LYS CB C 8 34.935 34.935 34.331 0.604 18844 779 1 3 . 1 1 8 8 LYS H H 8 9.174 9.174 8.713 0.461 18844 780 1 3 . 1 1 9 9 TRP N N 9 125.952 125.952 128.314 -2.362 18844 781 1 3 . 1 1 9 9 TRP HA H 9 5.185 5.185 4.902 0.283 18844 782 1 3 . 1 1 9 9 TRP CA C 9 57.734 57.734 56.575 1.159 18844 783 1 3 . 1 1 9 9 TRP CB C 9 31.561 31.561 31.181 0.380 18844 784 1 3 . 1 1 9 9 TRP H H 9 8.844 8.844 8.454 0.390 18844 785 1 3 . 1 1 10 10 GLY N N 10 117.044 117.044 116.433 0.611 18844 786 1 3 . 1 1 10 10 GLY CA C 10 47.101 47.101 45.502 1.599 18844 787 1 3 . 1 1 10 10 GLY H H 10 8.683 8.683 8.592 0.091 18844 788 1 3 . 1 1 11 11 GLY N N 11 109.364 109.364 111.376 -2.012 18844 789 1 3 . 1 1 11 11 GLY CA C 11 45.460 45.460 45.059 0.401 18844 790 1 3 . 1 1 11 11 GLY H H 11 8.600 8.600 7.955 0.645 18844 791 1 3 . 1 1 12 12 GLN N N 12 119.388 119.388 119.885 -0.497 18844 792 1 3 . 1 1 12 12 GLN HA H 12 4.483 4.483 4.604 -0.121 18844 793 1 3 . 1 1 12 12 GLN CA C 12 54.502 54.502 54.939 -0.437 18844 794 1 3 . 1 1 12 12 GLN CB C 12 32.178 32.178 31.877 0.301 18844 795 1 3 . 1 1 12 12 GLN H H 12 7.865 7.865 7.680 0.185 18844 796 1 3 . 1 1 13 13 GLU N N 13 119.756 119.756 121.741 -1.985 18844 797 1 3 . 1 1 13 13 GLU HA H 13 4.880 4.880 4.894 -0.014 18844 798 1 3 . 1 1 13 13 GLU CA C 13 55.655 55.655 55.364 0.291 18844 799 1 3 . 1 1 13 13 GLU CB C 13 32.306 32.306 31.743 0.563 18844 800 1 3 . 1 1 13 13 GLU H H 13 8.172 8.172 8.490 -0.318 18844 801 1 3 . 1 1 14 14 TYR N N 14 122.812 122.812 121.952 0.860 18844 802 1 3 . 1 1 14 14 TYR HA H 14 4.601 4.601 4.796 -0.195 18844 803 1 3 . 1 1 14 14 TYR CA C 14 57.246 57.246 56.830 0.416 18844 804 1 3 . 1 1 14 14 TYR CB C 14 40.544 40.544 41.587 -1.043 18844 805 1 3 . 1 1 14 14 TYR H H 14 9.381 9.381 8.866 0.515 18844 806 1 3 . 1 1 15 15 SER N N 15 118.339 118.339 118.965 -0.626 18844 807 1 3 . 1 1 15 15 SER HA H 15 4.747 4.747 4.616 0.131 18844 808 1 3 . 1 1 15 15 SER CA C 15 58.099 58.099 58.076 0.023 18844 809 1 3 . 1 1 15 15 SER CB C 15 63.394 63.394 63.835 -0.441 18844 810 1 3 . 1 1 15 15 SER H H 15 8.802 8.802 8.807 -0.005 18844 811 1 3 . 1 1 16 16 VAL N N 16 128.611 128.611 124.915 3.696 18844 812 1 3 . 1 1 16 16 VAL HA H 16 4.205 4.205 4.364 -0.159 18844 813 1 3 . 1 1 16 16 VAL CA C 16 62.344 62.344 62.397 -0.053 18844 814 1 3 . 1 1 16 16 VAL CB C 16 32.528 32.528 32.801 -0.273 18844 815 1 3 . 1 1 16 16 VAL H H 16 9.005 9.005 8.805 0.200 18844 816 1 3 . 1 1 17 17 THR N N 17 116.170 116.170 118.706 -2.536 18844 817 1 3 . 1 1 17 17 THR HA H 17 4.533 4.533 4.665 -0.132 18844 818 1 3 . 1 1 17 17 THR CA C 17 62.331 62.331 61.765 0.566 18844 819 1 3 . 1 1 17 17 THR CB C 17 70.040 70.040 68.677 1.363 18844 820 1 3 . 1 1 17 17 THR H H 17 8.746 8.746 8.719 0.027 18844 821 1 3 . 1 1 18 18 THR N N 18 107.517 107.517 115.730 -8.213 18844 822 1 3 . 1 1 18 18 THR HA H 18 4.173 4.173 4.146 0.027 18844 823 1 3 . 1 1 18 18 THR CA C 18 61.772 61.772 62.723 -0.951 18844 824 1 3 . 1 1 18 18 THR CB C 18 69.121 69.121 68.839 0.282 18844 825 1 3 . 1 1 18 18 THR H H 18 6.812 6.812 8.221 -1.409 18844 826 1 3 . 1 1 19 19 LEU N N 19 123.019 123.019 123.194 -0.175 18844 827 1 3 . 1 1 19 19 LEU HA H 19 4.583 4.583 4.502 0.081 18844 828 1 3 . 1 1 19 19 LEU CA C 19 54.180 54.180 54.639 -0.459 18844 829 1 3 . 1 1 19 19 LEU CB C 19 42.711 42.711 42.672 0.039 18844 830 1 3 . 1 1 19 19 LEU H H 19 8.388 8.388 7.698 0.690 18844 831 1 3 . 1 1 20 20 SER N N 20 117.870 117.870 115.367 2.503 18844 832 1 3 . 1 1 20 20 SER HA H 20 4.863 4.863 4.942 -0.079 18844 833 1 3 . 1 1 20 20 SER CA C 20 56.832 56.832 56.809 0.023 18844 834 1 3 . 1 1 20 20 SER CB C 20 67.845 67.845 66.517 1.328 18844 835 1 3 . 1 1 20 20 SER H H 20 9.714 9.714 9.019 0.695 18844 836 1 3 . 1 1 21 21 GLU N N 21 116.130 116.130 122.354 -6.224 18844 837 1 3 . 1 1 21 21 GLU HA H 21 3.740 3.740 4.000 -0.260 18844 838 1 3 . 1 1 21 21 GLU CA C 21 59.134 59.134 59.639 -0.505 18844 839 1 3 . 1 1 21 21 GLU CB C 21 30.854 30.854 29.367 1.487 18844 840 1 3 . 1 1 21 21 GLU H H 21 8.491 8.491 8.851 -0.360 18844 841 1 3 . 1 1 22 22 ASP N N 22 115.741 115.741 117.215 -1.474 18844 842 1 3 . 1 1 22 22 ASP HA H 22 4.650 4.650 4.566 0.084 18844 843 1 3 . 1 1 22 22 ASP CA C 22 55.156 55.156 55.555 -0.399 18844 844 1 3 . 1 1 22 22 ASP CB C 22 42.579 42.579 41.140 1.439 18844 845 1 3 . 1 1 22 22 ASP H H 22 7.936 7.936 8.404 -0.468 18844 846 1 3 . 1 1 23 23 ASP N N 23 119.945 119.945 117.455 2.490 18844 847 1 3 . 1 1 23 23 ASP HA H 23 4.841 4.841 4.815 0.026 18844 848 1 3 . 1 1 23 23 ASP CA C 23 55.223 55.223 53.826 1.397 18844 849 1 3 . 1 1 23 23 ASP CB C 23 42.782 42.782 42.922 -0.140 18844 850 1 3 . 1 1 23 23 ASP H H 23 7.313 7.313 8.018 -0.705 18844 851 1 3 . 1 1 24 24 THR N N 24 107.918 107.918 108.705 -0.787 18844 852 1 3 . 1 1 24 24 THR HA H 24 5.328 5.328 4.785 0.543 18844 853 1 3 . 1 1 24 24 THR CA C 24 60.989 60.989 60.183 0.806 18844 854 1 3 . 1 1 24 24 THR CB C 24 74.287 74.287 72.189 2.098 18844 855 1 3 . 1 1 24 24 THR H H 24 9.630 9.630 7.857 1.773 18844 856 1 3 . 1 1 25 25 VAL N N 25 120.192 120.192 121.564 -1.372 18844 857 1 3 . 1 1 25 25 VAL HA H 25 3.334 3.334 3.743 -0.409 18844 858 1 3 . 1 1 25 25 VAL CA C 25 67.626 67.626 66.861 0.765 18844 859 1 3 . 1 1 25 25 VAL CB C 25 32.149 32.149 31.349 0.800 18844 860 1 3 . 1 1 25 25 VAL H H 25 8.260 8.260 8.736 -0.476 18844 861 1 3 . 1 1 26 26 LEU N N 26 119.941 119.941 118.160 1.781 18844 862 1 3 . 1 1 26 26 LEU HA H 26 3.872 3.872 4.014 -0.142 18844 863 1 3 . 1 1 26 26 LEU CA C 26 58.592 58.592 58.318 0.274 18844 864 1 3 . 1 1 26 26 LEU CB C 26 41.716 41.716 41.213 0.503 18844 865 1 3 . 1 1 26 26 LEU H H 26 8.523 8.523 7.306 1.217 18844 866 1 3 . 1 1 27 27 ASP N N 27 118.322 118.322 118.632 -0.310 18844 867 1 3 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.436 -0.163 18844 868 1 3 . 1 1 27 27 ASP CA C 27 58.663 58.663 57.152 1.511 18844 869 1 3 . 1 1 27 27 ASP CB C 27 40.931 40.931 40.651 0.280 18844 870 1 3 . 1 1 27 27 ASP H H 27 7.581 7.581 8.342 -0.761 18844 871 1 3 . 1 1 28 28 LEU N N 28 122.021 122.021 120.582 1.439 18844 872 1 3 . 1 1 28 28 LEU HA H 28 4.083 4.083 4.157 -0.074 18844 873 1 3 . 1 1 28 28 LEU CA C 28 58.772 58.772 58.069 0.703 18844 874 1 3 . 1 1 28 28 LEU CB C 28 41.225 41.225 42.346 -1.121 18844 875 1 3 . 1 1 28 28 LEU H H 28 7.837 7.837 7.348 0.489 18844 876 1 3 . 1 1 29 29 LYS N N 29 119.086 119.086 119.540 -0.454 18844 877 1 3 . 1 1 29 29 LYS HA H 29 4.520 4.520 3.956 0.564 18844 878 1 3 . 1 1 29 29 LYS CA C 29 59.787 59.787 60.538 -0.750 18844 879 1 3 . 1 1 29 29 LYS CB C 29 34.297 34.297 32.145 2.152 18844 880 1 3 . 1 1 29 29 LYS H H 29 8.467 8.467 8.499 -0.032 18844 881 1 3 . 1 1 30 30 GLN N N 30 119.268 119.268 118.780 0.488 18844 882 1 3 . 1 1 30 30 GLN HA H 30 3.932 3.932 4.036 -0.104 18844 883 1 3 . 1 1 30 30 GLN CA C 30 59.663 59.663 58.570 1.093 18844 884 1 3 . 1 1 30 30 GLN CB C 30 27.806 27.806 28.021 -0.215 18844 885 1 3 . 1 1 30 30 GLN H H 30 9.049 9.049 8.051 0.998 18844 886 1 3 . 1 1 31 31 PHE N N 31 121.690 121.690 120.216 1.474 18844 887 1 3 . 1 1 31 31 PHE HA H 31 4.218 4.218 4.306 -0.088 18844 888 1 3 . 1 1 31 31 PHE CA C 31 61.967 61.967 60.489 1.478 18844 889 1 3 . 1 1 31 31 PHE CB C 31 39.374 39.374 39.639 -0.265 18844 890 1 3 . 1 1 31 31 PHE H H 31 8.039 8.039 7.436 0.603 18844 891 1 3 . 1 1 32 32 LEU N N 32 118.232 118.232 118.043 0.189 18844 892 1 3 . 1 1 32 32 LEU HA H 32 3.637 3.637 3.935 -0.298 18844 893 1 3 . 1 1 32 32 LEU CA C 32 57.708 57.708 58.136 -0.428 18844 894 1 3 . 1 1 32 32 LEU CB C 32 41.270 41.270 41.290 -0.020 18844 895 1 3 . 1 1 32 32 LEU H H 32 8.776 8.776 8.386 0.390 18844 896 1 3 . 1 1 33 33 LYS N N 33 125.920 125.920 118.299 7.621 18844 897 1 3 . 1 1 33 33 LYS HA H 33 3.802 3.802 3.870 -0.068 18844 898 1 3 . 1 1 33 33 LYS CA C 33 60.116 60.116 59.088 1.028 18844 899 1 3 . 1 1 33 33 LYS CB C 33 31.701 31.701 31.486 0.215 18844 900 1 3 . 1 1 33 33 LYS H H 33 8.237 8.237 8.474 -0.237 18844 901 1 3 . 1 1 34 34 THR N N 34 114.544 114.544 112.298 2.246 18844 902 1 3 . 1 1 34 34 THR HA H 34 3.773 3.773 4.101 -0.328 18844 903 1 3 . 1 1 34 34 THR CA C 34 65.749 65.749 63.708 2.041 18844 904 1 3 . 1 1 34 34 THR CB C 34 68.620 68.620 68.584 0.036 18844 905 1 3 . 1 1 34 34 THR H H 34 7.281 7.281 7.105 0.176 18844 906 1 3 . 1 1 35 35 LEU N N 35 117.590 117.590 120.286 -2.696 18844 907 1 3 . 1 1 35 35 LEU HA H 35 4.018 4.018 4.091 -0.073 18844 908 1 3 . 1 1 35 35 LEU CA C 35 57.015 57.015 57.100 -0.085 18844 909 1 3 . 1 1 35 35 LEU CB C 35 44.003 44.003 42.525 1.478 18844 910 1 3 . 1 1 35 35 LEU H H 35 6.752 6.752 7.599 -0.847 18844 911 1 3 . 1 1 36 36 THR N N 36 104.865 104.865 110.030 -5.165 18844 912 1 3 . 1 1 36 36 THR HA H 36 3.967 3.967 4.305 -0.338 18844 913 1 3 . 1 1 36 36 THR CA C 36 62.756 62.756 62.208 0.548 18844 914 1 3 . 1 1 36 36 THR CB C 36 72.343 72.343 70.342 2.001 18844 915 1 3 . 1 1 36 36 THR H H 36 7.675 7.675 7.578 0.097 18844 916 1 3 . 1 1 37 37 GLY N N 37 109.795 109.795 109.531 0.264 18844 917 1 3 . 1 1 37 37 GLY CA C 37 45.559 45.559 44.700 0.859 18844 918 1 3 . 1 1 37 37 GLY H H 37 7.971 7.971 7.321 0.650 18844 919 1 3 . 1 1 38 38 VAL N N 38 122.557 122.557 119.559 2.998 18844 920 1 3 . 1 1 38 38 VAL HA H 38 3.638 3.638 3.991 -0.353 18844 921 1 3 . 1 1 38 38 VAL CA C 38 62.437 62.437 59.812 2.625 18844 922 1 3 . 1 1 38 38 VAL CB C 38 31.390 31.390 33.673 -2.283 18844 923 1 3 . 1 1 38 38 VAL H H 38 7.533 7.533 7.591 -0.058 18844 924 1 3 . 1 1 39 39 LEU N N 39 127.828 127.828 123.739 4.089 18844 925 1 3 . 1 1 39 39 LEU HA H 39 3.994 3.994 4.415 -0.421 18844 926 1 3 . 1 1 39 39 LEU CA C 39 54.437 54.437 53.404 1.033 18844 927 1 3 . 1 1 39 39 LEU CB C 39 40.557 40.557 40.191 0.367 18844 928 1 3 . 1 1 39 39 LEU H H 39 8.634 8.634 8.248 0.386 18844 929 1 3 . 1 1 40 40 PRO HA H 40 3.839 3.839 4.765 -0.926 18844 930 1 3 . 1 1 40 40 PRO CA C 40 66.989 66.989 64.663 2.326 18844 931 1 3 . 1 1 40 40 PRO CB C 40 32.322 32.322 31.890 0.432 18844 932 1 3 . 1 1 41 41 GLU N N 41 114.752 114.752 117.951 -3.199 18844 933 1 3 . 1 1 41 41 GLU HA H 41 4.071 4.071 4.106 -0.035 18844 934 1 3 . 1 1 41 41 GLU CA C 41 58.938 58.938 58.556 0.383 18844 935 1 3 . 1 1 41 41 GLU CB C 41 28.824 28.824 29.259 -0.436 18844 936 1 3 . 1 1 41 41 GLU H H 41 9.746 9.746 8.605 1.141 18844 937 1 3 . 1 1 42 42 ARG N N 42 118.145 118.145 115.826 2.319 18844 938 1 3 . 1 1 42 42 ARG HA H 42 4.315 4.315 4.467 -0.152 18844 939 1 3 . 1 1 42 42 ARG CA C 42 55.448 55.448 56.742 -1.294 18844 940 1 3 . 1 1 42 42 ARG CB C 42 31.105 31.105 31.705 -0.600 18844 941 1 3 . 1 1 42 42 ARG H H 42 7.938 7.938 7.570 0.368 18844 942 1 3 . 1 1 43 43 GLN N N 43 118.250 118.250 118.726 -0.476 18844 943 1 3 . 1 1 43 43 GLN HA H 43 4.251 4.251 4.768 -0.517 18844 944 1 3 . 1 1 43 43 GLN CA C 43 56.537 56.537 54.668 1.869 18844 945 1 3 . 1 1 43 43 GLN CB C 43 30.992 30.992 30.655 0.337 18844 946 1 3 . 1 1 43 43 GLN H H 43 7.034 7.034 7.799 -0.765 18844 947 1 3 . 1 1 44 44 LYS N N 44 122.693 122.693 119.571 3.122 18844 948 1 3 . 1 1 44 44 LYS HA H 44 4.464 4.464 4.722 -0.258 18844 949 1 3 . 1 1 44 44 LYS CA C 44 55.552 55.552 54.746 0.806 18844 950 1 3 . 1 1 44 44 LYS CB C 44 34.325 34.325 34.799 -0.474 18844 951 1 3 . 1 1 44 44 LYS H H 44 8.806 8.806 8.902 -0.096 18844 952 1 3 . 1 1 45 45 LEU N N 45 124.806 124.806 123.776 1.030 18844 953 1 3 . 1 1 45 45 LEU HA H 45 4.943 4.943 4.275 0.668 18844 954 1 3 . 1 1 45 45 LEU CA C 45 53.542 53.542 55.328 -1.786 18844 955 1 3 . 1 1 45 45 LEU CB C 45 41.821 41.821 40.861 0.960 18844 956 1 3 . 1 1 45 45 LEU H H 45 8.704 8.704 8.596 0.108 18844 957 1 3 . 1 1 46 46 LEU N N 46 124.709 124.709 126.197 -1.488 18844 958 1 3 . 1 1 46 46 LEU HA H 46 4.358 4.358 4.382 -0.024 18844 959 1 3 . 1 1 46 46 LEU CA C 46 55.759 55.759 57.434 -1.675 18844 960 1 3 . 1 1 46 46 LEU CB C 46 42.526 42.526 42.500 0.026 18844 961 1 3 . 1 1 46 46 LEU H H 46 8.751 8.751 7.950 0.801 18844 962 1 3 . 1 1 47 47 GLY N N 47 109.276 109.276 107.341 1.935 18844 963 1 3 . 1 1 47 47 GLY CA C 47 45.560 45.560 44.828 0.732 18844 964 1 3 . 1 1 47 47 GLY H H 47 8.300 8.300 8.358 -0.058 18844 965 1 3 . 1 1 48 48 LEU N N 48 119.707 119.707 117.183 2.524 18844 966 1 3 . 1 1 48 48 LEU HA H 48 4.590 4.590 4.230 0.360 18844 967 1 3 . 1 1 48 48 LEU CA C 48 53.945 53.945 56.344 -2.399 18844 968 1 3 . 1 1 48 48 LEU CB C 48 41.414 41.414 42.186 -0.772 18844 969 1 3 . 1 1 48 48 LEU H H 48 7.581 7.581 7.420 0.161 18844 970 1 3 . 1 1 49 49 LYS N N 49 124.527 124.527 117.491 7.036 18844 971 1 3 . 1 1 49 49 LYS HA H 49 4.852 4.852 4.566 0.286 18844 972 1 3 . 1 1 49 49 LYS CA C 49 55.663 55.663 54.721 0.942 18844 973 1 3 . 1 1 49 49 LYS CB C 49 37.581 37.581 34.812 2.769 18844 974 1 3 . 1 1 49 49 LYS H H 49 8.606 8.606 7.234 1.372 18844 975 1 3 . 1 1 50 50 VAL N N 50 119.184 119.184 122.088 -2.904 18844 976 1 3 . 1 1 50 50 VAL HA H 50 4.113 4.113 4.292 -0.179 18844 977 1 3 . 1 1 50 50 VAL CA C 50 61.865 61.865 60.268 1.597 18844 978 1 3 . 1 1 50 50 VAL CB C 50 34.734 34.734 35.144 -0.410 18844 979 1 3 . 1 1 50 50 VAL H H 50 8.799 8.799 8.525 0.274 18844 980 1 3 . 1 1 51 51 LYS N N 51 127.069 127.069 127.124 -0.055 18844 981 1 3 . 1 1 51 51 LYS HA H 51 3.824 3.824 4.001 -0.177 18844 982 1 3 . 1 1 51 51 LYS CA C 51 57.407 57.407 56.815 0.592 18844 983 1 3 . 1 1 51 51 LYS CB C 51 30.655 30.655 30.391 0.264 18844 984 1 3 . 1 1 51 51 LYS H H 51 9.451 9.451 9.061 0.390 18844 985 1 3 . 1 1 52 52 GLY N N 52 102.671 102.671 103.369 -0.698 18844 986 1 3 . 1 1 52 52 GLY CA C 52 45.810 45.810 45.121 0.689 18844 987 1 3 . 1 1 52 52 GLY H H 52 8.512 8.512 8.210 0.302 18844 988 1 3 . 1 1 53 53 LYS N N 53 121.307 121.307 121.881 -0.574 18844 989 1 3 . 1 1 53 53 LYS HA H 53 4.829 4.829 4.654 0.175 18844 990 1 3 . 1 1 53 53 LYS CA C 53 53.616 53.616 52.990 0.626 18844 991 1 3 . 1 1 53 53 LYS CB C 53 33.940 33.940 32.617 1.323 18844 992 1 3 . 1 1 53 53 LYS H H 53 7.781 7.781 7.833 -0.052 18844 993 1 3 . 1 1 54 54 PRO HA H 54 4.376 4.376 4.303 0.073 18844 994 1 3 . 1 1 54 54 PRO CA C 54 63.817 63.817 64.093 -0.276 18844 995 1 3 . 1 1 54 54 PRO CB C 54 32.151 32.151 31.892 0.259 18844 996 1 3 . 1 1 55 55 ALA N N 55 125.654 125.654 119.992 5.662 18844 997 1 3 . 1 1 55 55 ALA HA H 55 4.138 4.138 3.961 0.177 18844 998 1 3 . 1 1 55 55 ALA CA C 55 52.664 52.664 52.763 -0.099 18844 999 1 3 . 1 1 55 55 ALA CB C 55 20.044 20.044 17.715 2.329 18844 1000 1 3 . 1 1 55 55 ALA H H 55 8.114 8.114 7.981 0.133 18844 1001 1 3 . 1 1 56 56 GLU N N 56 122.313 122.313 118.482 3.831 18844 1002 1 3 . 1 1 56 56 GLU HA H 56 4.215 4.215 4.029 0.186 18844 1003 1 3 . 1 1 56 56 GLU CA C 56 56.089 56.089 59.264 -3.175 18844 1004 1 3 . 1 1 56 56 GLU CB C 56 31.086 31.086 30.100 0.986 18844 1005 1 3 . 1 1 56 56 GLU H H 56 8.179 8.179 8.685 -0.506 18844 1006 1 3 . 1 1 57 57 ASN N N 57 115.140 115.140 110.341 4.799 18844 1007 1 3 . 1 1 57 57 ASN HA H 57 4.229 4.229 4.697 -0.468 18844 1008 1 3 . 1 1 57 57 ASN CA C 57 55.199 55.199 53.939 1.260 18844 1009 1 3 . 1 1 57 57 ASN CB C 57 39.227 39.227 38.481 0.746 18844 1010 1 3 . 1 1 57 57 ASN H H 57 8.504 8.504 7.963 0.541 18844 1011 1 3 . 1 1 58 58 ASP N N 58 112.832 112.832 119.923 -7.091 18844 1012 1 3 . 1 1 58 58 ASP HA H 58 4.488 4.488 4.463 0.025 18844 1013 1 3 . 1 1 58 58 ASP CA C 58 53.608 53.608 55.040 -1.432 18844 1014 1 3 . 1 1 58 58 ASP CB C 58 40.304 40.304 40.850 -0.546 18844 1015 1 3 . 1 1 58 58 ASP H H 58 8.198 8.198 8.414 -0.216 18844 1016 1 3 . 1 1 59 59 VAL N N 59 122.073 122.073 120.001 2.072 18844 1017 1 3 . 1 1 59 59 VAL HA H 59 3.593 3.593 4.010 -0.417 18844 1018 1 3 . 1 1 59 59 VAL CA C 59 63.840 63.840 62.240 1.600 18844 1019 1 3 . 1 1 59 59 VAL CB C 59 32.322 32.322 32.873 -0.551 18844 1020 1 3 . 1 1 59 59 VAL H H 59 7.353 7.353 7.502 -0.149 18844 1021 1 3 . 1 1 60 60 LYS N N 60 125.064 125.064 124.475 0.589 18844 1022 1 3 . 1 1 60 60 LYS HA H 60 4.447 4.447 4.566 -0.119 18844 1023 1 3 . 1 1 60 60 LYS CA C 60 56.185 56.185 55.434 0.752 18844 1024 1 3 . 1 1 60 60 LYS CB C 60 33.105 33.105 33.752 -0.647 18844 1025 1 3 . 1 1 60 60 LYS H H 60 8.339 8.339 8.173 0.166 18844 1026 1 3 . 1 1 61 61 LEU N N 61 121.612 121.612 122.009 -0.397 18844 1027 1 3 . 1 1 61 61 LEU HA H 61 3.776 3.776 3.989 -0.213 18844 1028 1 3 . 1 1 61 61 LEU CA C 61 57.987 57.987 58.414 -0.427 18844 1029 1 3 . 1 1 61 61 LEU CB C 61 40.832 40.832 41.729 -0.897 18844 1030 1 3 . 1 1 61 61 LEU H H 61 9.423 9.423 8.855 0.568 18844 1031 1 3 . 1 1 62 62 GLY N N 62 104.008 104.008 102.737 1.271 18844 1032 1 3 . 1 1 62 62 GLY CA C 62 46.772 46.772 45.458 1.314 18844 1033 1 3 . 1 1 62 62 GLY H H 62 9.107 9.107 8.285 0.822 18844 1034 1 3 . 1 1 63 63 ALA N N 63 122.025 122.025 122.978 -0.953 18844 1035 1 3 . 1 1 63 63 ALA HA H 63 4.273 4.273 4.350 -0.077 18844 1036 1 3 . 1 1 63 63 ALA CA C 63 53.421 53.421 53.737 -0.316 18844 1037 1 3 . 1 1 63 63 ALA CB C 63 18.816 18.816 18.910 -0.094 18844 1038 1 3 . 1 1 63 63 ALA H H 63 7.755 7.755 7.589 0.166 18844 1039 1 3 . 1 1 64 64 LEU N N 64 115.454 115.454 115.621 -0.167 18844 1040 1 3 . 1 1 64 64 LEU HA H 64 4.068 4.068 4.170 -0.102 18844 1041 1 3 . 1 1 64 64 LEU CA C 64 55.567 55.567 55.717 -0.150 18844 1042 1 3 . 1 1 64 64 LEU CB C 64 42.136 42.136 42.286 -0.150 18844 1043 1 3 . 1 1 64 64 LEU H H 64 7.214 7.214 7.569 -0.355 18844 1044 1 3 . 1 1 65 65 LYS N N 65 114.830 114.830 113.704 1.126 18844 1045 1 3 . 1 1 65 65 LYS HA H 65 3.838 3.838 3.868 -0.030 18844 1046 1 3 . 1 1 65 65 LYS CA C 65 56.737 56.737 56.567 0.170 18844 1047 1 3 . 1 1 65 65 LYS CB C 65 29.307 29.307 29.139 0.168 18844 1048 1 3 . 1 1 65 65 LYS H H 65 7.642 7.642 7.562 0.080 18844 1049 1 3 . 1 1 66 66 LEU N N 66 119.305 119.305 120.352 -1.047 18844 1050 1 3 . 1 1 66 66 LEU HA H 66 4.163 4.163 4.346 -0.183 18844 1051 1 3 . 1 1 66 66 LEU CA C 66 54.847 54.847 54.477 0.369 18844 1052 1 3 . 1 1 66 66 LEU CB C 66 42.712 42.712 42.923 -0.211 18844 1053 1 3 . 1 1 66 66 LEU H H 66 8.516 8.516 7.629 0.887 18844 1054 1 3 . 1 1 67 67 LYS N N 67 121.480 121.480 123.070 -1.590 18844 1055 1 3 . 1 1 67 67 LYS HA H 67 4.497 4.497 4.400 0.097 18844 1056 1 3 . 1 1 67 67 LYS CA C 67 54.152 54.152 55.767 -1.615 18844 1057 1 3 . 1 1 67 67 LYS CB C 67 31.999 31.999 32.238 -0.239 18844 1058 1 3 . 1 1 67 67 LYS H H 67 7.955 7.955 8.161 -0.206 18844 1059 1 3 . 1 1 68 68 PRO HA H 68 4.169 4.169 4.679 -0.510 18844 1060 1 3 . 1 1 68 68 PRO CA C 68 64.389 64.389 65.098 -0.709 18844 1061 1 3 . 1 1 68 68 PRO CB C 68 32.214 32.214 32.280 -0.066 18844 1062 1 3 . 1 1 69 69 ASN N N 69 115.414 115.414 116.224 -0.810 18844 1063 1 3 . 1 1 69 69 ASN HA H 69 3.962 3.962 4.634 -0.672 18844 1064 1 3 . 1 1 69 69 ASN CA C 69 55.021 55.021 53.879 1.142 18844 1065 1 3 . 1 1 69 69 ASN CB C 69 37.047 37.047 38.041 -0.994 18844 1066 1 3 . 1 1 69 69 ASN H H 69 8.966 8.966 8.286 0.680 18844 1067 1 3 . 1 1 70 70 THR N N 70 115.426 115.426 117.419 -1.993 18844 1068 1 3 . 1 1 70 70 THR HA H 70 3.949 3.949 4.142 -0.193 18844 1069 1 3 . 1 1 70 70 THR CA C 70 65.247 65.247 64.312 0.935 18844 1070 1 3 . 1 1 70 70 THR CB C 70 70.132 70.132 69.498 0.634 18844 1071 1 3 . 1 1 70 70 THR H H 70 7.712 7.712 7.793 -0.081 18844 1072 1 3 . 1 1 71 71 LYS N N 71 124.603 124.603 125.594 -0.991 18844 1073 1 3 . 1 1 71 71 LYS HA H 71 5.179 5.179 5.021 0.158 18844 1074 1 3 . 1 1 71 71 LYS CA C 71 55.340 55.340 55.459 -0.119 18844 1075 1 3 . 1 1 71 71 LYS CB C 71 33.729 33.729 33.891 -0.162 18844 1076 1 3 . 1 1 71 71 LYS H H 71 8.284 8.284 8.281 0.003 18844 1077 1 3 . 1 1 72 72 ILE N N 72 123.505 123.505 123.456 0.049 18844 1078 1 3 . 1 1 72 72 ILE HA H 72 4.511 4.511 4.387 0.124 18844 1079 1 3 . 1 1 72 72 ILE CA C 72 59.636 59.636 59.223 0.413 18844 1080 1 3 . 1 1 72 72 ILE CB C 72 40.827 40.827 39.544 1.283 18844 1081 1 3 . 1 1 72 72 ILE H H 72 9.142 9.142 8.447 0.695 18844 1082 1 3 . 1 1 73 73 MET N N 73 123.090 123.090 125.162 -2.072 18844 1083 1 3 . 1 1 73 73 MET HA H 73 5.122 5.122 4.951 0.171 18844 1084 1 3 . 1 1 73 73 MET CA C 73 54.949 54.949 55.198 -0.249 18844 1085 1 3 . 1 1 73 73 MET CB C 73 35.143 35.143 35.323 -0.180 18844 1086 1 3 . 1 1 73 73 MET H H 73 8.556 8.556 8.878 -0.322 18844 1087 1 3 . 1 1 74 74 MET N N 74 124.481 124.481 121.219 3.262 18844 1088 1 3 . 1 1 74 74 MET HA H 74 5.288 5.288 4.832 0.456 18844 1089 1 3 . 1 1 74 74 MET CA C 74 54.862 54.862 55.077 -0.215 18844 1090 1 3 . 1 1 74 74 MET CB C 74 36.294 36.294 35.404 0.890 18844 1091 1 3 . 1 1 74 74 MET H H 74 8.924 8.924 8.821 0.103 18844 1092 1 3 . 1 1 75 75 MET N N 75 123.963 123.963 123.855 0.108 18844 1093 1 3 . 1 1 75 75 MET HA H 75 5.093 5.093 5.010 0.083 18844 1094 1 3 . 1 1 75 75 MET CA C 75 54.265 54.265 54.400 -0.135 18844 1095 1 3 . 1 1 75 75 MET CB C 75 35.566 35.566 33.915 1.651 18844 1096 1 3 . 1 1 75 75 MET H H 75 9.112 9.112 8.302 0.810 18844 1097 1 3 . 1 1 76 76 GLY N N 76 109.773 109.773 110.794 -1.021 18844 1098 1 3 . 1 1 76 76 GLY CA C 76 45.901 45.901 45.197 0.704 18844 1099 1 3 . 1 1 76 76 GLY H H 76 8.711 8.711 8.757 -0.045 18844 1100 1 3 . 1 1 77 77 THR N N 77 113.345 113.345 114.456 -1.111 18844 1101 1 3 . 1 1 77 77 THR HA H 77 4.787 4.787 4.655 0.132 18844 1102 1 3 . 1 1 77 77 THR CA C 77 60.728 60.728 60.595 0.133 18844 1103 1 3 . 1 1 77 77 THR CB C 77 71.481 71.481 70.460 1.020 18844 1104 1 3 . 1 1 77 77 THR H H 77 8.280 8.280 8.310 -0.030 18844 1105 1 3 . 1 1 78 78 ARG N N 78 122.844 122.844 125.500 -2.656 18844 1106 1 3 . 1 1 78 78 ARG HA H 78 4.148 4.148 4.255 -0.107 18844 1107 1 3 . 1 1 78 78 ARG CA C 78 56.881 56.881 56.723 0.158 18844 1108 1 3 . 1 1 78 78 ARG CB C 78 31.607 31.607 30.795 0.812 18844 1109 1 3 . 1 1 78 78 ARG H H 78 8.852 8.852 8.456 0.396 18844 1110 1 3 . 1 1 79 79 GLU N N 79 122.181 122.181 121.777 0.404 18844 1111 1 3 . 1 1 79 79 GLU HA H 79 4.206 4.206 4.278 -0.072 18844 1112 1 3 . 1 1 79 79 GLU CA C 79 57.007 57.007 56.329 0.678 18844 1113 1 3 . 1 1 79 79 GLU CB C 79 30.764 30.764 30.188 0.576 18844 1114 1 3 . 1 1 79 79 GLU H H 79 8.300 8.300 8.441 -0.141 18844 1115 1 3 . 1 1 80 80 GLU N N 80 126.965 126.965 119.152 7.813 18844 1116 1 3 . 1 1 80 80 GLU HA H 80 4.049 4.049 4.128 -0.079 18844 1117 1 3 . 1 1 80 80 GLU CA C 80 58.328 58.328 57.170 1.158 18844 1118 1 3 . 1 1 80 80 GLU CB C 80 31.287 31.287 29.523 1.764 18844 1119 1 3 . 1 1 80 80 GLU H H 80 8.015 8.015 8.738 -0.723 18844 1120 1 4 . 1 1 2 2 ALA N N 2 126.014 126.014 122.981 3.033 18844 1121 1 4 . 1 1 2 2 ALA HA H 2 4.033 4.033 4.545 -0.512 18844 1122 1 4 . 1 1 2 2 ALA CA C 2 53.215 53.215 51.141 2.074 18844 1123 1 4 . 1 1 2 2 ALA CB C 2 19.376 19.376 19.993 -0.617 18844 1124 1 4 . 1 1 2 2 ALA H H 2 8.410 8.410 8.325 0.085 18844 1125 1 4 . 1 1 3 3 LEU N N 3 123.255 123.255 124.115 -0.860 18844 1126 1 4 . 1 1 3 3 LEU HA H 3 4.646 4.646 4.609 0.037 18844 1127 1 4 . 1 1 3 3 LEU CA C 3 51.817 51.817 52.060 -0.243 18844 1128 1 4 . 1 1 3 3 LEU CB C 3 43.557 43.557 43.174 0.383 18844 1129 1 4 . 1 1 3 3 LEU H H 3 8.271 8.271 8.429 -0.158 18844 1130 1 4 . 1 1 4 4 PRO HA H 4 4.606 4.606 4.575 0.031 18844 1131 1 4 . 1 1 4 4 PRO CA C 4 63.240 63.240 62.423 0.817 18844 1132 1 4 . 1 1 4 4 PRO CB C 4 32.070 32.070 32.753 -0.683 18844 1133 1 4 . 1 1 5 5 ILE N N 5 122.161 122.161 118.070 4.091 18844 1134 1 4 . 1 1 5 5 ILE HA H 5 4.359 4.359 4.849 -0.490 18844 1135 1 4 . 1 1 5 5 ILE CA C 5 60.833 60.833 60.480 0.353 18844 1136 1 4 . 1 1 5 5 ILE CB C 5 43.943 43.943 42.747 1.196 18844 1137 1 4 . 1 1 5 5 ILE H H 5 8.317 8.317 7.703 0.614 18844 1138 1 4 . 1 1 6 6 ILE N N 6 125.649 125.649 126.103 -0.454 18844 1139 1 4 . 1 1 6 6 ILE HA H 6 4.921 4.921 4.751 0.170 18844 1140 1 4 . 1 1 6 6 ILE CA C 6 59.865 59.865 60.794 -0.929 18844 1141 1 4 . 1 1 6 6 ILE CB C 6 40.264 40.264 40.372 -0.108 18844 1142 1 4 . 1 1 6 6 ILE H H 6 8.408 8.408 8.486 -0.078 18844 1143 1 4 . 1 1 7 7 VAL N N 7 125.741 125.741 126.772 -1.031 18844 1144 1 4 . 1 1 7 7 VAL HA H 7 4.930 4.930 4.708 0.222 18844 1145 1 4 . 1 1 7 7 VAL CA C 7 60.363 60.363 60.432 -0.069 18844 1146 1 4 . 1 1 7 7 VAL CB C 7 34.759 34.759 35.120 -0.361 18844 1147 1 4 . 1 1 7 7 VAL H H 7 9.155 9.155 9.124 0.031 18844 1148 1 4 . 1 1 8 8 LYS N N 8 128.098 128.098 128.662 -0.564 18844 1149 1 4 . 1 1 8 8 LYS HA H 8 5.232 5.232 5.203 0.029 18844 1150 1 4 . 1 1 8 8 LYS CA C 8 55.275 55.275 54.739 0.536 18844 1151 1 4 . 1 1 8 8 LYS CB C 8 34.935 34.935 33.956 0.979 18844 1152 1 4 . 1 1 8 8 LYS H H 8 9.174 9.174 8.720 0.454 18844 1153 1 4 . 1 1 9 9 TRP N N 9 125.952 125.952 128.576 -2.624 18844 1154 1 4 . 1 1 9 9 TRP HA H 9 5.185 5.185 4.876 0.309 18844 1155 1 4 . 1 1 9 9 TRP CA C 9 57.734 57.734 56.730 1.004 18844 1156 1 4 . 1 1 9 9 TRP CB C 9 31.561 31.561 30.857 0.705 18844 1157 1 4 . 1 1 9 9 TRP H H 9 8.844 8.844 8.417 0.427 18844 1158 1 4 . 1 1 10 10 GLY N N 10 117.044 117.044 116.262 0.782 18844 1159 1 4 . 1 1 10 10 GLY CA C 10 47.101 47.101 45.251 1.851 18844 1160 1 4 . 1 1 10 10 GLY H H 10 8.683 8.683 8.539 0.144 18844 1161 1 4 . 1 1 11 11 GLY N N 11 109.364 109.364 110.445 -1.081 18844 1162 1 4 . 1 1 11 11 GLY CA C 11 45.460 45.460 45.277 0.183 18844 1163 1 4 . 1 1 11 11 GLY H H 11 8.600 8.600 8.164 0.436 18844 1164 1 4 . 1 1 12 12 GLN N N 12 119.388 119.388 118.831 0.557 18844 1165 1 4 . 1 1 12 12 GLN HA H 12 4.483 4.483 4.616 -0.133 18844 1166 1 4 . 1 1 12 12 GLN CA C 12 54.502 54.502 54.591 -0.089 18844 1167 1 4 . 1 1 12 12 GLN CB C 12 32.178 32.178 32.103 0.075 18844 1168 1 4 . 1 1 12 12 GLN H H 12 7.865 7.865 7.837 0.028 18844 1169 1 4 . 1 1 13 13 GLU N N 13 119.756 119.756 118.584 1.172 18844 1170 1 4 . 1 1 13 13 GLU HA H 13 4.880 4.880 4.859 0.021 18844 1171 1 4 . 1 1 13 13 GLU CA C 13 55.655 55.655 55.332 0.323 18844 1172 1 4 . 1 1 13 13 GLU CB C 13 32.306 32.306 32.583 -0.277 18844 1173 1 4 . 1 1 13 13 GLU H H 13 8.172 8.172 8.397 -0.225 18844 1174 1 4 . 1 1 14 14 TYR N N 14 122.812 122.812 121.920 0.892 18844 1175 1 4 . 1 1 14 14 TYR HA H 14 4.601 4.601 4.724 -0.123 18844 1176 1 4 . 1 1 14 14 TYR CA C 14 57.246 57.246 56.773 0.473 18844 1177 1 4 . 1 1 14 14 TYR CB C 14 40.544 40.544 40.942 -0.398 18844 1178 1 4 . 1 1 14 14 TYR H H 14 9.381 9.381 8.763 0.618 18844 1179 1 4 . 1 1 15 15 SER N N 15 118.339 118.339 119.664 -1.325 18844 1180 1 4 . 1 1 15 15 SER HA H 15 4.747 4.747 4.522 0.225 18844 1181 1 4 . 1 1 15 15 SER CA C 15 58.099 58.099 58.315 -0.216 18844 1182 1 4 . 1 1 15 15 SER CB C 15 63.394 63.394 63.846 -0.452 18844 1183 1 4 . 1 1 15 15 SER H H 15 8.802 8.802 8.683 0.119 18844 1184 1 4 . 1 1 16 16 VAL N N 16 128.611 128.611 125.586 3.025 18844 1185 1 4 . 1 1 16 16 VAL HA H 16 4.205 4.205 4.388 -0.183 18844 1186 1 4 . 1 1 16 16 VAL CA C 16 62.344 62.344 61.823 0.521 18844 1187 1 4 . 1 1 16 16 VAL CB C 16 32.528 32.528 32.762 -0.234 18844 1188 1 4 . 1 1 16 16 VAL H H 16 9.005 9.005 8.884 0.121 18844 1189 1 4 . 1 1 17 17 THR N N 17 116.170 116.170 119.168 -2.998 18844 1190 1 4 . 1 1 17 17 THR HA H 17 4.533 4.533 4.621 -0.088 18844 1191 1 4 . 1 1 17 17 THR CA C 17 62.331 62.331 61.662 0.669 18844 1192 1 4 . 1 1 17 17 THR CB C 17 70.040 70.040 68.927 1.113 18844 1193 1 4 . 1 1 17 17 THR H H 17 8.746 8.746 8.620 0.126 18844 1194 1 4 . 1 1 18 18 THR N N 18 107.517 107.517 116.285 -8.768 18844 1195 1 4 . 1 1 18 18 THR HA H 18 4.173 4.173 4.158 0.015 18844 1196 1 4 . 1 1 18 18 THR CA C 18 61.772 61.772 63.140 -1.368 18844 1197 1 4 . 1 1 18 18 THR CB C 18 69.121 69.121 68.794 0.327 18844 1198 1 4 . 1 1 18 18 THR H H 18 6.812 6.812 8.118 -1.306 18844 1199 1 4 . 1 1 19 19 LEU N N 19 123.019 123.019 122.895 0.124 18844 1200 1 4 . 1 1 19 19 LEU HA H 19 4.583 4.583 4.355 0.228 18844 1201 1 4 . 1 1 19 19 LEU CA C 19 54.180 54.180 54.212 -0.032 18844 1202 1 4 . 1 1 19 19 LEU CB C 19 42.711 42.711 42.840 -0.129 18844 1203 1 4 . 1 1 19 19 LEU H H 19 8.388 8.388 7.724 0.664 18844 1204 1 4 . 1 1 20 20 SER N N 20 117.870 117.870 115.176 2.694 18844 1205 1 4 . 1 1 20 20 SER HA H 20 4.863 4.863 4.899 -0.036 18844 1206 1 4 . 1 1 20 20 SER CA C 20 56.832 56.832 56.688 0.144 18844 1207 1 4 . 1 1 20 20 SER CB C 20 67.845 67.845 66.846 0.999 18844 1208 1 4 . 1 1 20 20 SER H H 20 9.714 9.714 8.908 0.806 18844 1209 1 4 . 1 1 21 21 GLU N N 21 116.130 116.130 121.606 -5.476 18844 1210 1 4 . 1 1 21 21 GLU HA H 21 3.740 3.740 4.080 -0.340 18844 1211 1 4 . 1 1 21 21 GLU CA C 21 59.134 59.134 58.589 0.545 18844 1212 1 4 . 1 1 21 21 GLU CB C 21 30.854 30.854 28.950 1.904 18844 1213 1 4 . 1 1 21 21 GLU H H 21 8.491 8.491 8.926 -0.435 18844 1214 1 4 . 1 1 22 22 ASP N N 22 115.741 115.741 118.961 -3.220 18844 1215 1 4 . 1 1 22 22 ASP HA H 22 4.650 4.650 4.501 0.149 18844 1216 1 4 . 1 1 22 22 ASP CA C 22 55.156 55.156 56.178 -1.022 18844 1217 1 4 . 1 1 22 22 ASP CB C 22 42.579 42.579 40.891 1.688 18844 1218 1 4 . 1 1 22 22 ASP H H 22 7.936 7.936 8.636 -0.700 18844 1219 1 4 . 1 1 23 23 ASP N N 23 119.945 119.945 118.310 1.635 18844 1220 1 4 . 1 1 23 23 ASP HA H 23 4.841 4.841 4.754 0.087 18844 1221 1 4 . 1 1 23 23 ASP CA C 23 55.223 55.223 54.383 0.840 18844 1222 1 4 . 1 1 23 23 ASP CB C 23 42.782 42.782 42.790 -0.008 18844 1223 1 4 . 1 1 23 23 ASP H H 23 7.313 7.313 8.075 -0.762 18844 1224 1 4 . 1 1 24 24 THR N N 24 107.918 107.918 109.100 -1.182 18844 1225 1 4 . 1 1 24 24 THR HA H 24 5.328 5.328 4.858 0.470 18844 1226 1 4 . 1 1 24 24 THR CA C 24 60.989 60.989 60.411 0.578 18844 1227 1 4 . 1 1 24 24 THR CB C 24 74.287 74.287 72.691 1.596 18844 1228 1 4 . 1 1 24 24 THR H H 24 9.630 9.630 7.649 1.981 18844 1229 1 4 . 1 1 25 25 VAL N N 25 120.192 120.192 121.434 -1.242 18844 1230 1 4 . 1 1 25 25 VAL HA H 25 3.334 3.334 3.678 -0.344 18844 1231 1 4 . 1 1 25 25 VAL CA C 25 67.626 67.626 67.411 0.215 18844 1232 1 4 . 1 1 25 25 VAL CB C 25 32.149 32.149 31.591 0.558 18844 1233 1 4 . 1 1 25 25 VAL H H 25 8.260 8.260 8.645 -0.385 18844 1234 1 4 . 1 1 26 26 LEU N N 26 119.941 119.941 118.406 1.535 18844 1235 1 4 . 1 1 26 26 LEU HA H 26 3.872 3.872 4.004 -0.132 18844 1236 1 4 . 1 1 26 26 LEU CA C 26 58.592 58.592 58.142 0.450 18844 1237 1 4 . 1 1 26 26 LEU CB C 26 41.716 41.716 41.252 0.464 18844 1238 1 4 . 1 1 26 26 LEU H H 26 8.523 8.523 7.349 1.174 18844 1239 1 4 . 1 1 27 27 ASP N N 27 118.322 118.322 118.625 -0.303 18844 1240 1 4 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.425 -0.152 18844 1241 1 4 . 1 1 27 27 ASP CA C 27 58.663 58.663 56.858 1.805 18844 1242 1 4 . 1 1 27 27 ASP CB C 27 40.931 40.931 40.556 0.375 18844 1243 1 4 . 1 1 27 27 ASP H H 27 7.581 7.581 8.301 -0.720 18844 1244 1 4 . 1 1 28 28 LEU N N 28 122.021 122.021 120.106 1.915 18844 1245 1 4 . 1 1 28 28 LEU HA H 28 4.083 4.083 4.220 -0.137 18844 1246 1 4 . 1 1 28 28 LEU CA C 28 58.772 58.772 57.673 1.099 18844 1247 1 4 . 1 1 28 28 LEU CB C 28 41.225 41.225 42.376 -1.151 18844 1248 1 4 . 1 1 28 28 LEU H H 28 7.837 7.837 7.416 0.421 18844 1249 1 4 . 1 1 29 29 LYS N N 29 119.086 119.086 119.602 -0.516 18844 1250 1 4 . 1 1 29 29 LYS HA H 29 4.520 4.520 3.941 0.579 18844 1251 1 4 . 1 1 29 29 LYS CA C 29 59.787 59.787 60.663 -0.876 18844 1252 1 4 . 1 1 29 29 LYS CB C 29 34.297 34.297 32.178 2.119 18844 1253 1 4 . 1 1 29 29 LYS H H 29 8.467 8.467 8.590 -0.123 18844 1254 1 4 . 1 1 30 30 GLN N N 30 119.268 119.268 118.750 0.518 18844 1255 1 4 . 1 1 30 30 GLN HA H 30 3.932 3.932 4.037 -0.105 18844 1256 1 4 . 1 1 30 30 GLN CA C 30 59.663 59.663 58.569 1.095 18844 1257 1 4 . 1 1 30 30 GLN CB C 30 27.806 27.806 28.031 -0.225 18844 1258 1 4 . 1 1 30 30 GLN H H 30 9.049 9.049 7.972 1.077 18844 1259 1 4 . 1 1 31 31 PHE N N 31 121.690 121.690 120.323 1.367 18844 1260 1 4 . 1 1 31 31 PHE HA H 31 4.218 4.218 4.303 -0.085 18844 1261 1 4 . 1 1 31 31 PHE CA C 31 61.967 61.967 60.450 1.518 18844 1262 1 4 . 1 1 31 31 PHE CB C 31 39.374 39.374 39.593 -0.219 18844 1263 1 4 . 1 1 31 31 PHE H H 31 8.039 8.039 7.432 0.607 18844 1264 1 4 . 1 1 32 32 LEU N N 32 118.232 118.232 118.002 0.230 18844 1265 1 4 . 1 1 32 32 LEU HA H 32 3.637 3.637 3.861 -0.224 18844 1266 1 4 . 1 1 32 32 LEU CA C 32 57.708 57.708 58.114 -0.406 18844 1267 1 4 . 1 1 32 32 LEU CB C 32 41.270 41.270 41.272 -0.002 18844 1268 1 4 . 1 1 32 32 LEU H H 32 8.776 8.776 8.385 0.391 18844 1269 1 4 . 1 1 33 33 LYS N N 33 125.920 125.920 118.259 7.661 18844 1270 1 4 . 1 1 33 33 LYS HA H 33 3.802 3.802 3.864 -0.062 18844 1271 1 4 . 1 1 33 33 LYS CA C 33 60.116 60.116 59.067 1.049 18844 1272 1 4 . 1 1 33 33 LYS CB C 33 31.701 31.701 31.501 0.200 18844 1273 1 4 . 1 1 33 33 LYS H H 33 8.237 8.237 8.424 -0.187 18844 1274 1 4 . 1 1 34 34 THR N N 34 114.544 114.544 112.250 2.294 18844 1275 1 4 . 1 1 34 34 THR HA H 34 3.773 3.773 4.104 -0.331 18844 1276 1 4 . 1 1 34 34 THR CA C 34 65.749 65.749 63.709 2.040 18844 1277 1 4 . 1 1 34 34 THR CB C 34 68.620 68.620 68.585 0.035 18844 1278 1 4 . 1 1 34 34 THR H H 34 7.281 7.281 7.097 0.184 18844 1279 1 4 . 1 1 35 35 LEU N N 35 117.590 117.590 120.626 -3.036 18844 1280 1 4 . 1 1 35 35 LEU HA H 35 4.018 4.018 4.135 -0.117 18844 1281 1 4 . 1 1 35 35 LEU CA C 35 57.015 57.015 57.119 -0.104 18844 1282 1 4 . 1 1 35 35 LEU CB C 35 44.003 44.003 42.506 1.497 18844 1283 1 4 . 1 1 35 35 LEU H H 35 6.752 6.752 7.624 -0.872 18844 1284 1 4 . 1 1 36 36 THR N N 36 104.865 104.865 109.025 -4.160 18844 1285 1 4 . 1 1 36 36 THR HA H 36 3.967 3.967 4.291 -0.324 18844 1286 1 4 . 1 1 36 36 THR CA C 36 62.756 62.756 61.858 0.898 18844 1287 1 4 . 1 1 36 36 THR CB C 36 72.343 72.343 69.678 2.665 18844 1288 1 4 . 1 1 36 36 THR H H 36 7.675 7.675 7.499 0.176 18844 1289 1 4 . 1 1 37 37 GLY N N 37 109.795 109.795 111.305 -1.510 18844 1290 1 4 . 1 1 37 37 GLY CA C 37 45.559 45.559 44.538 1.021 18844 1291 1 4 . 1 1 37 37 GLY H H 37 7.971 7.971 7.454 0.517 18844 1292 1 4 . 1 1 38 38 VAL N N 38 122.557 122.557 119.804 2.753 18844 1293 1 4 . 1 1 38 38 VAL HA H 38 3.638 3.638 4.014 -0.376 18844 1294 1 4 . 1 1 38 38 VAL CA C 38 62.437 62.437 60.384 2.053 18844 1295 1 4 . 1 1 38 38 VAL CB C 38 31.390 31.390 33.200 -1.810 18844 1296 1 4 . 1 1 38 38 VAL H H 38 7.533 7.533 7.584 -0.051 18844 1297 1 4 . 1 1 39 39 LEU N N 39 127.828 127.828 122.743 5.085 18844 1298 1 4 . 1 1 39 39 LEU HA H 39 3.994 3.994 4.420 -0.426 18844 1299 1 4 . 1 1 39 39 LEU CA C 39 54.437 54.437 53.376 1.061 18844 1300 1 4 . 1 1 39 39 LEU CB C 39 40.557 40.557 40.026 0.531 18844 1301 1 4 . 1 1 39 39 LEU H H 39 8.634 8.634 8.274 0.360 18844 1302 1 4 . 1 1 40 40 PRO HA H 40 3.839 3.839 4.573 -0.734 18844 1303 1 4 . 1 1 40 40 PRO CA C 40 66.989 66.989 64.723 2.266 18844 1304 1 4 . 1 1 40 40 PRO CB C 40 32.322 32.322 31.982 0.340 18844 1305 1 4 . 1 1 41 41 GLU N N 41 114.752 114.752 117.891 -3.139 18844 1306 1 4 . 1 1 41 41 GLU HA H 41 4.071 4.071 4.074 -0.003 18844 1307 1 4 . 1 1 41 41 GLU CA C 41 58.938 58.938 58.683 0.255 18844 1308 1 4 . 1 1 41 41 GLU CB C 41 28.824 28.824 29.472 -0.648 18844 1309 1 4 . 1 1 41 41 GLU H H 41 9.746 9.746 8.621 1.125 18844 1310 1 4 . 1 1 42 42 ARG N N 42 118.145 118.145 115.856 2.289 18844 1311 1 4 . 1 1 42 42 ARG HA H 42 4.315 4.315 4.451 -0.136 18844 1312 1 4 . 1 1 42 42 ARG CA C 42 55.448 55.448 56.691 -1.242 18844 1313 1 4 . 1 1 42 42 ARG CB C 42 31.105 31.105 31.745 -0.640 18844 1314 1 4 . 1 1 42 42 ARG H H 42 7.938 7.938 7.561 0.377 18844 1315 1 4 . 1 1 43 43 GLN N N 43 118.250 118.250 118.459 -0.209 18844 1316 1 4 . 1 1 43 43 GLN HA H 43 4.251 4.251 4.798 -0.547 18844 1317 1 4 . 1 1 43 43 GLN CA C 43 56.537 56.537 54.684 1.853 18844 1318 1 4 . 1 1 43 43 GLN CB C 43 30.992 30.992 30.928 0.064 18844 1319 1 4 . 1 1 43 43 GLN H H 43 7.034 7.034 7.796 -0.762 18844 1320 1 4 . 1 1 44 44 LYS N N 44 122.693 122.693 119.668 3.025 18844 1321 1 4 . 1 1 44 44 LYS HA H 44 4.464 4.464 4.735 -0.271 18844 1322 1 4 . 1 1 44 44 LYS CA C 44 55.552 55.552 54.536 1.016 18844 1323 1 4 . 1 1 44 44 LYS CB C 44 34.325 34.325 34.927 -0.602 18844 1324 1 4 . 1 1 44 44 LYS H H 44 8.806 8.806 8.892 -0.086 18844 1325 1 4 . 1 1 45 45 LEU N N 45 124.806 124.806 124.166 0.640 18844 1326 1 4 . 1 1 45 45 LEU HA H 45 4.943 4.943 4.253 0.690 18844 1327 1 4 . 1 1 45 45 LEU CA C 45 53.542 53.542 55.090 -1.548 18844 1328 1 4 . 1 1 45 45 LEU CB C 45 41.821 41.821 40.899 0.922 18844 1329 1 4 . 1 1 45 45 LEU H H 45 8.704 8.704 8.714 -0.010 18844 1330 1 4 . 1 1 46 46 LEU N N 46 124.709 124.709 126.136 -1.427 18844 1331 1 4 . 1 1 46 46 LEU HA H 46 4.358 4.358 4.370 -0.012 18844 1332 1 4 . 1 1 46 46 LEU CA C 46 55.759 55.759 56.899 -1.140 18844 1333 1 4 . 1 1 46 46 LEU CB C 46 42.526 42.526 41.704 0.822 18844 1334 1 4 . 1 1 46 46 LEU H H 46 8.751 8.751 7.873 0.878 18844 1335 1 4 . 1 1 47 47 GLY N N 47 109.276 109.276 107.112 2.164 18844 1336 1 4 . 1 1 47 47 GLY CA C 47 45.560 45.560 44.705 0.855 18844 1337 1 4 . 1 1 47 47 GLY H H 47 8.300 8.300 8.385 -0.085 18844 1338 1 4 . 1 1 48 48 LEU N N 48 119.707 119.707 117.449 2.258 18844 1339 1 4 . 1 1 48 48 LEU HA H 48 4.590 4.590 4.186 0.404 18844 1340 1 4 . 1 1 48 48 LEU CA C 48 53.945 53.945 56.519 -2.574 18844 1341 1 4 . 1 1 48 48 LEU CB C 48 41.414 41.414 42.121 -0.707 18844 1342 1 4 . 1 1 48 48 LEU H H 48 7.581 7.581 7.407 0.174 18844 1343 1 4 . 1 1 49 49 LYS N N 49 124.527 124.527 117.077 7.450 18844 1344 1 4 . 1 1 49 49 LYS HA H 49 4.852 4.852 4.550 0.302 18844 1345 1 4 . 1 1 49 49 LYS CA C 49 55.663 55.663 54.892 0.771 18844 1346 1 4 . 1 1 49 49 LYS CB C 49 37.581 37.581 34.367 3.214 18844 1347 1 4 . 1 1 49 49 LYS H H 49 8.606 8.606 7.282 1.324 18844 1348 1 4 . 1 1 50 50 VAL N N 50 119.184 119.184 121.364 -2.180 18844 1349 1 4 . 1 1 50 50 VAL HA H 50 4.113 4.113 4.373 -0.260 18844 1350 1 4 . 1 1 50 50 VAL CA C 50 61.865 61.865 60.701 1.164 18844 1351 1 4 . 1 1 50 50 VAL CB C 50 34.734 34.734 34.597 0.137 18844 1352 1 4 . 1 1 50 50 VAL H H 50 8.799 8.799 8.642 0.157 18844 1353 1 4 . 1 1 51 51 LYS N N 51 127.069 127.069 126.377 0.692 18844 1354 1 4 . 1 1 51 51 LYS HA H 51 3.824 3.824 3.971 -0.147 18844 1355 1 4 . 1 1 51 51 LYS CA C 51 57.407 57.407 57.008 0.399 18844 1356 1 4 . 1 1 51 51 LYS CB C 51 30.655 30.655 30.732 -0.077 18844 1357 1 4 . 1 1 51 51 LYS H H 51 9.451 9.451 9.128 0.323 18844 1358 1 4 . 1 1 52 52 GLY N N 52 102.671 102.671 104.664 -1.993 18844 1359 1 4 . 1 1 52 52 GLY CA C 52 45.810 45.810 44.989 0.821 18844 1360 1 4 . 1 1 52 52 GLY H H 52 8.512 8.512 8.255 0.257 18844 1361 1 4 . 1 1 53 53 LYS N N 53 121.307 121.307 121.816 -0.509 18844 1362 1 4 . 1 1 53 53 LYS HA H 53 4.829 4.829 4.657 0.172 18844 1363 1 4 . 1 1 53 53 LYS CA C 53 53.616 53.616 53.365 0.251 18844 1364 1 4 . 1 1 53 53 LYS CB C 53 33.940 33.940 32.179 1.761 18844 1365 1 4 . 1 1 53 53 LYS H H 53 7.781 7.781 7.887 -0.106 18844 1366 1 4 . 1 1 54 54 PRO HA H 54 4.376 4.376 4.297 0.079 18844 1367 1 4 . 1 1 54 54 PRO CA C 54 63.817 63.817 64.206 -0.389 18844 1368 1 4 . 1 1 54 54 PRO CB C 54 32.151 32.151 31.907 0.244 18844 1369 1 4 . 1 1 55 55 ALA N N 55 125.654 125.654 118.572 7.082 18844 1370 1 4 . 1 1 55 55 ALA HA H 55 4.138 4.138 3.936 0.202 18844 1371 1 4 . 1 1 55 55 ALA CA C 55 52.664 52.664 52.947 -0.283 18844 1372 1 4 . 1 1 55 55 ALA CB C 55 20.044 20.044 17.889 2.155 18844 1373 1 4 . 1 1 55 55 ALA H H 55 8.114 8.114 8.102 0.012 18844 1374 1 4 . 1 1 56 56 GLU N N 56 122.313 122.313 118.167 4.146 18844 1375 1 4 . 1 1 56 56 GLU HA H 56 4.215 4.215 4.048 0.167 18844 1376 1 4 . 1 1 56 56 GLU CA C 56 56.089 56.089 59.271 -3.182 18844 1377 1 4 . 1 1 56 56 GLU CB C 56 31.086 31.086 30.216 0.870 18844 1378 1 4 . 1 1 56 56 GLU H H 56 8.179 8.179 8.616 -0.437 18844 1379 1 4 . 1 1 57 57 ASN N N 57 115.140 115.140 110.123 5.017 18844 1380 1 4 . 1 1 57 57 ASN HA H 57 4.229 4.229 4.689 -0.460 18844 1381 1 4 . 1 1 57 57 ASN CA C 57 55.199 55.199 53.958 1.241 18844 1382 1 4 . 1 1 57 57 ASN CB C 57 39.227 39.227 38.519 0.708 18844 1383 1 4 . 1 1 57 57 ASN H H 57 8.504 8.504 7.955 0.549 18844 1384 1 4 . 1 1 58 58 ASP N N 58 112.832 112.832 119.577 -6.745 18844 1385 1 4 . 1 1 58 58 ASP HA H 58 4.488 4.488 4.545 -0.057 18844 1386 1 4 . 1 1 58 58 ASP CA C 58 53.608 53.608 54.255 -0.647 18844 1387 1 4 . 1 1 58 58 ASP CB C 58 40.304 40.304 40.890 -0.586 18844 1388 1 4 . 1 1 58 58 ASP H H 58 8.198 8.198 8.480 -0.282 18844 1389 1 4 . 1 1 59 59 VAL N N 59 122.073 122.073 119.110 2.963 18844 1390 1 4 . 1 1 59 59 VAL HA H 59 3.593 3.593 4.129 -0.536 18844 1391 1 4 . 1 1 59 59 VAL CA C 59 63.840 63.840 61.205 2.635 18844 1392 1 4 . 1 1 59 59 VAL CB C 59 32.322 32.322 32.924 -0.602 18844 1393 1 4 . 1 1 59 59 VAL H H 59 7.353 7.353 7.529 -0.176 18844 1394 1 4 . 1 1 60 60 LYS N N 60 125.064 125.064 123.448 1.616 18844 1395 1 4 . 1 1 60 60 LYS HA H 60 4.447 4.447 4.647 -0.200 18844 1396 1 4 . 1 1 60 60 LYS CA C 60 56.185 56.185 55.308 0.877 18844 1397 1 4 . 1 1 60 60 LYS CB C 60 33.105 33.105 33.679 -0.575 18844 1398 1 4 . 1 1 60 60 LYS H H 60 8.339 8.339 8.325 0.014 18844 1399 1 4 . 1 1 61 61 LEU N N 61 121.612 121.612 122.057 -0.445 18844 1400 1 4 . 1 1 61 61 LEU HA H 61 3.776 3.776 3.999 -0.223 18844 1401 1 4 . 1 1 61 61 LEU CA C 61 57.987 57.987 58.006 -0.019 18844 1402 1 4 . 1 1 61 61 LEU CB C 61 40.832 40.832 41.809 -0.977 18844 1403 1 4 . 1 1 61 61 LEU H H 61 9.423 9.423 8.790 0.633 18844 1404 1 4 . 1 1 62 62 GLY N N 62 104.008 104.008 103.223 0.785 18844 1405 1 4 . 1 1 62 62 GLY CA C 62 46.772 46.772 45.887 0.885 18844 1406 1 4 . 1 1 62 62 GLY H H 62 9.107 9.107 8.038 1.069 18844 1407 1 4 . 1 1 63 63 ALA N N 63 122.025 122.025 123.777 -1.752 18844 1408 1 4 . 1 1 63 63 ALA HA H 63 4.273 4.273 4.347 -0.074 18844 1409 1 4 . 1 1 63 63 ALA CA C 63 53.421 53.421 53.963 -0.542 18844 1410 1 4 . 1 1 63 63 ALA CB C 63 18.816 18.816 18.492 0.324 18844 1411 1 4 . 1 1 63 63 ALA H H 63 7.755 7.755 7.775 -0.020 18844 1412 1 4 . 1 1 64 64 LEU N N 64 115.454 115.454 115.052 0.402 18844 1413 1 4 . 1 1 64 64 LEU HA H 64 4.068 4.068 4.267 -0.199 18844 1414 1 4 . 1 1 64 64 LEU CA C 64 55.567 55.567 54.960 0.607 18844 1415 1 4 . 1 1 64 64 LEU CB C 64 42.136 42.136 42.219 -0.083 18844 1416 1 4 . 1 1 64 64 LEU H H 64 7.214 7.214 7.281 -0.067 18844 1417 1 4 . 1 1 65 65 LYS N N 65 114.830 114.830 114.471 0.359 18844 1418 1 4 . 1 1 65 65 LYS HA H 65 3.838 3.838 3.905 -0.067 18844 1419 1 4 . 1 1 65 65 LYS CA C 65 56.737 56.737 56.683 0.054 18844 1420 1 4 . 1 1 65 65 LYS CB C 65 29.307 29.307 29.274 0.032 18844 1421 1 4 . 1 1 65 65 LYS H H 65 7.642 7.642 7.727 -0.085 18844 1422 1 4 . 1 1 66 66 LEU N N 66 119.305 119.305 119.984 -0.679 18844 1423 1 4 . 1 1 66 66 LEU HA H 66 4.163 4.163 4.325 -0.162 18844 1424 1 4 . 1 1 66 66 LEU CA C 66 54.847 54.847 54.220 0.627 18844 1425 1 4 . 1 1 66 66 LEU CB C 66 42.712 42.712 43.290 -0.578 18844 1426 1 4 . 1 1 66 66 LEU H H 66 8.516 8.516 7.776 0.740 18844 1427 1 4 . 1 1 67 67 LYS N N 67 121.480 121.480 122.603 -1.123 18844 1428 1 4 . 1 1 67 67 LYS HA H 67 4.497 4.497 4.410 0.087 18844 1429 1 4 . 1 1 67 67 LYS CA C 67 54.152 54.152 55.536 -1.384 18844 1430 1 4 . 1 1 67 67 LYS CB C 67 31.999 31.999 32.241 -0.242 18844 1431 1 4 . 1 1 67 67 LYS H H 67 7.955 7.955 8.157 -0.202 18844 1432 1 4 . 1 1 68 68 PRO HA H 68 4.169 4.169 4.702 -0.533 18844 1433 1 4 . 1 1 68 68 PRO CA C 68 64.389 64.389 65.142 -0.753 18844 1434 1 4 . 1 1 68 68 PRO CB C 68 32.214 32.214 32.282 -0.068 18844 1435 1 4 . 1 1 69 69 ASN N N 69 115.414 115.414 115.464 -0.050 18844 1436 1 4 . 1 1 69 69 ASN HA H 69 3.962 3.962 4.574 -0.612 18844 1437 1 4 . 1 1 69 69 ASN CA C 69 55.021 55.021 53.668 1.353 18844 1438 1 4 . 1 1 69 69 ASN CB C 69 37.047 37.047 37.487 -0.440 18844 1439 1 4 . 1 1 69 69 ASN H H 69 8.966 8.966 8.196 0.770 18844 1440 1 4 . 1 1 70 70 THR N N 70 115.426 115.426 115.928 -0.502 18844 1441 1 4 . 1 1 70 70 THR HA H 70 3.949 3.949 4.041 -0.092 18844 1442 1 4 . 1 1 70 70 THR CA C 70 65.247 65.247 63.869 1.378 18844 1443 1 4 . 1 1 70 70 THR CB C 70 70.132 70.132 68.966 1.166 18844 1444 1 4 . 1 1 70 70 THR H H 70 7.712 7.712 7.696 0.016 18844 1445 1 4 . 1 1 71 71 LYS N N 71 124.603 124.603 125.823 -1.220 18844 1446 1 4 . 1 1 71 71 LYS HA H 71 5.179 5.179 5.107 0.072 18844 1447 1 4 . 1 1 71 71 LYS CA C 71 55.340 55.340 55.478 -0.138 18844 1448 1 4 . 1 1 71 71 LYS CB C 71 33.729 33.729 34.291 -0.562 18844 1449 1 4 . 1 1 71 71 LYS H H 71 8.284 8.284 8.456 -0.172 18844 1450 1 4 . 1 1 72 72 ILE N N 72 123.505 123.505 123.730 -0.225 18844 1451 1 4 . 1 1 72 72 ILE HA H 72 4.511 4.511 4.382 0.129 18844 1452 1 4 . 1 1 72 72 ILE CA C 72 59.636 59.636 59.206 0.430 18844 1453 1 4 . 1 1 72 72 ILE CB C 72 40.827 40.827 39.413 1.414 18844 1454 1 4 . 1 1 72 72 ILE H H 72 9.142 9.142 8.451 0.691 18844 1455 1 4 . 1 1 73 73 MET N N 73 123.090 123.090 125.772 -2.682 18844 1456 1 4 . 1 1 73 73 MET HA H 73 5.122 5.122 5.090 0.032 18844 1457 1 4 . 1 1 73 73 MET CA C 73 54.949 54.949 55.259 -0.310 18844 1458 1 4 . 1 1 73 73 MET CB C 73 35.143 35.143 35.031 0.112 18844 1459 1 4 . 1 1 73 73 MET H H 73 8.556 8.556 8.902 -0.346 18844 1460 1 4 . 1 1 74 74 MET N N 74 124.481 124.481 121.238 3.243 18844 1461 1 4 . 1 1 74 74 MET HA H 74 5.288 5.288 4.937 0.351 18844 1462 1 4 . 1 1 74 74 MET CA C 74 54.862 54.862 55.052 -0.190 18844 1463 1 4 . 1 1 74 74 MET CB C 74 36.294 36.294 35.154 1.140 18844 1464 1 4 . 1 1 74 74 MET H H 74 8.924 8.924 8.765 0.159 18844 1465 1 4 . 1 1 75 75 MET N N 75 123.963 123.963 123.761 0.202 18844 1466 1 4 . 1 1 75 75 MET HA H 75 5.093 5.093 5.004 0.089 18844 1467 1 4 . 1 1 75 75 MET CA C 75 54.265 54.265 54.405 -0.140 18844 1468 1 4 . 1 1 75 75 MET CB C 75 35.566 35.566 33.764 1.802 18844 1469 1 4 . 1 1 75 75 MET H H 75 9.112 9.112 8.383 0.729 18844 1470 1 4 . 1 1 76 76 GLY N N 76 109.773 109.773 111.057 -1.284 18844 1471 1 4 . 1 1 76 76 GLY CA C 76 45.901 45.901 45.327 0.574 18844 1472 1 4 . 1 1 76 76 GLY H H 76 8.711 8.711 8.730 -0.019 18844 1473 1 4 . 1 1 77 77 THR N N 77 113.345 113.345 113.793 -0.448 18844 1474 1 4 . 1 1 77 77 THR HA H 77 4.787 4.787 4.681 0.106 18844 1475 1 4 . 1 1 77 77 THR CA C 77 60.728 60.728 60.133 0.595 18844 1476 1 4 . 1 1 77 77 THR CB C 77 71.481 71.481 70.788 0.693 18844 1477 1 4 . 1 1 77 77 THR H H 77 8.280 8.280 8.276 0.004 18844 1478 1 4 . 1 1 78 78 ARG N N 78 122.844 122.844 124.957 -2.113 18844 1479 1 4 . 1 1 78 78 ARG HA H 78 4.148 4.148 4.316 -0.168 18844 1480 1 4 . 1 1 78 78 ARG CA C 78 56.881 56.881 56.591 0.290 18844 1481 1 4 . 1 1 78 78 ARG CB C 78 31.607 31.607 30.901 0.706 18844 1482 1 4 . 1 1 78 78 ARG H H 78 8.852 8.852 8.547 0.305 18844 1483 1 4 . 1 1 79 79 GLU N N 79 122.181 122.181 121.507 0.674 18844 1484 1 4 . 1 1 79 79 GLU HA H 79 4.206 4.206 4.262 -0.056 18844 1485 1 4 . 1 1 79 79 GLU CA C 79 57.007 57.007 56.584 0.423 18844 1486 1 4 . 1 1 79 79 GLU CB C 79 30.764 30.764 30.129 0.635 18844 1487 1 4 . 1 1 79 79 GLU H H 79 8.300 8.300 8.475 -0.175 18844 1488 1 4 . 1 1 80 80 GLU N N 80 126.965 126.965 120.346 6.619 18844 1489 1 4 . 1 1 80 80 GLU HA H 80 4.049 4.049 4.125 -0.076 18844 1490 1 4 . 1 1 80 80 GLU CA C 80 58.328 58.328 58.127 0.201 18844 1491 1 4 . 1 1 80 80 GLU CB C 80 31.287 31.287 29.615 1.672 18844 1492 1 4 . 1 1 80 80 GLU H H 80 8.015 8.015 8.677 -0.662 18844 1493 1 5 . 1 1 2 2 ALA N N 2 126.014 126.014 123.272 2.742 18844 1494 1 5 . 1 1 2 2 ALA HA H 2 4.033 4.033 4.535 -0.502 18844 1495 1 5 . 1 1 2 2 ALA CA C 2 53.215 53.215 51.609 1.606 18844 1496 1 5 . 1 1 2 2 ALA CB C 2 19.376 19.376 19.607 -0.231 18844 1497 1 5 . 1 1 2 2 ALA H H 2 8.410 8.410 8.244 0.166 18844 1498 1 5 . 1 1 3 3 LEU N N 3 123.255 123.255 122.856 0.399 18844 1499 1 5 . 1 1 3 3 LEU HA H 3 4.646 4.646 4.688 -0.042 18844 1500 1 5 . 1 1 3 3 LEU CA C 3 51.817 51.817 51.852 -0.035 18844 1501 1 5 . 1 1 3 3 LEU CB C 3 43.557 43.557 43.117 0.440 18844 1502 1 5 . 1 1 3 3 LEU H H 3 8.271 8.271 8.396 -0.125 18844 1503 1 5 . 1 1 4 4 PRO HA H 4 4.606 4.606 4.776 -0.170 18844 1504 1 5 . 1 1 4 4 PRO CA C 4 63.240 63.240 62.521 0.719 18844 1505 1 5 . 1 1 4 4 PRO CB C 4 32.070 32.070 33.086 -1.016 18844 1506 1 5 . 1 1 5 5 ILE N N 5 122.161 122.161 118.160 4.001 18844 1507 1 5 . 1 1 5 5 ILE HA H 5 4.359 4.359 4.836 -0.477 18844 1508 1 5 . 1 1 5 5 ILE CA C 5 60.833 60.833 60.467 0.367 18844 1509 1 5 . 1 1 5 5 ILE CB C 5 43.943 43.943 42.803 1.140 18844 1510 1 5 . 1 1 5 5 ILE H H 5 8.317 8.317 7.714 0.603 18844 1511 1 5 . 1 1 6 6 ILE N N 6 125.649 125.649 125.790 -0.141 18844 1512 1 5 . 1 1 6 6 ILE HA H 6 4.921 4.921 4.779 0.142 18844 1513 1 5 . 1 1 6 6 ILE CA C 6 59.865 59.865 60.629 -0.764 18844 1514 1 5 . 1 1 6 6 ILE CB C 6 40.264 40.264 40.262 0.002 18844 1515 1 5 . 1 1 6 6 ILE H H 6 8.408 8.408 8.419 -0.011 18844 1516 1 5 . 1 1 7 7 VAL N N 7 125.741 125.741 126.150 -0.409 18844 1517 1 5 . 1 1 7 7 VAL HA H 7 4.930 4.930 4.632 0.298 18844 1518 1 5 . 1 1 7 7 VAL CA C 7 60.363 60.363 60.202 0.161 18844 1519 1 5 . 1 1 7 7 VAL CB C 7 34.759 34.759 34.473 0.286 18844 1520 1 5 . 1 1 7 7 VAL H H 7 9.155 9.155 9.171 -0.016 18844 1521 1 5 . 1 1 8 8 LYS N N 8 128.098 128.098 128.406 -0.308 18844 1522 1 5 . 1 1 8 8 LYS HA H 8 5.232 5.232 5.195 0.037 18844 1523 1 5 . 1 1 8 8 LYS CA C 8 55.275 55.275 54.779 0.496 18844 1524 1 5 . 1 1 8 8 LYS CB C 8 34.935 34.935 33.746 1.189 18844 1525 1 5 . 1 1 8 8 LYS H H 8 9.174 9.174 8.728 0.446 18844 1526 1 5 . 1 1 9 9 TRP N N 9 125.952 125.952 128.471 -2.519 18844 1527 1 5 . 1 1 9 9 TRP HA H 9 5.185 5.185 4.873 0.312 18844 1528 1 5 . 1 1 9 9 TRP CA C 9 57.734 57.734 56.758 0.976 18844 1529 1 5 . 1 1 9 9 TRP CB C 9 31.561 31.561 30.931 0.630 18844 1530 1 5 . 1 1 9 9 TRP H H 9 8.844 8.844 8.479 0.365 18844 1531 1 5 . 1 1 10 10 GLY N N 10 117.044 117.044 116.310 0.734 18844 1532 1 5 . 1 1 10 10 GLY CA C 10 47.101 47.101 44.894 2.207 18844 1533 1 5 . 1 1 10 10 GLY H H 10 8.683 8.683 8.583 0.100 18844 1534 1 5 . 1 1 11 11 GLY N N 11 109.364 109.364 109.179 0.185 18844 1535 1 5 . 1 1 11 11 GLY CA C 11 45.460 45.460 45.476 -0.016 18844 1536 1 5 . 1 1 11 11 GLY H H 11 8.600 8.600 8.171 0.429 18844 1537 1 5 . 1 1 12 12 GLN N N 12 119.388 119.388 118.886 0.502 18844 1538 1 5 . 1 1 12 12 GLN HA H 12 4.483 4.483 4.643 -0.160 18844 1539 1 5 . 1 1 12 12 GLN CA C 12 54.502 54.502 54.549 -0.047 18844 1540 1 5 . 1 1 12 12 GLN CB C 12 32.178 32.178 31.947 0.231 18844 1541 1 5 . 1 1 12 12 GLN H H 12 7.865 7.865 7.865 0.000 18844 1542 1 5 . 1 1 13 13 GLU N N 13 119.756 119.756 118.600 1.156 18844 1543 1 5 . 1 1 13 13 GLU HA H 13 4.880 4.880 4.876 0.004 18844 1544 1 5 . 1 1 13 13 GLU CA C 13 55.655 55.655 55.289 0.366 18844 1545 1 5 . 1 1 13 13 GLU CB C 13 32.306 32.306 32.646 -0.340 18844 1546 1 5 . 1 1 13 13 GLU H H 13 8.172 8.172 8.369 -0.197 18844 1547 1 5 . 1 1 14 14 TYR N N 14 122.812 122.812 121.175 1.637 18844 1548 1 5 . 1 1 14 14 TYR HA H 14 4.601 4.601 4.811 -0.210 18844 1549 1 5 . 1 1 14 14 TYR CA C 14 57.246 57.246 57.245 0.001 18844 1550 1 5 . 1 1 14 14 TYR CB C 14 40.544 40.544 41.603 -1.060 18844 1551 1 5 . 1 1 14 14 TYR H H 14 9.381 9.381 8.879 0.502 18844 1552 1 5 . 1 1 15 15 SER N N 15 118.339 118.339 119.525 -1.186 18844 1553 1 5 . 1 1 15 15 SER HA H 15 4.747 4.747 4.700 0.047 18844 1554 1 5 . 1 1 15 15 SER CA C 15 58.099 58.099 58.035 0.064 18844 1555 1 5 . 1 1 15 15 SER CB C 15 63.394 63.394 63.890 -0.496 18844 1556 1 5 . 1 1 15 15 SER H H 15 8.802 8.802 8.826 -0.024 18844 1557 1 5 . 1 1 16 16 VAL N N 16 128.611 128.611 126.103 2.508 18844 1558 1 5 . 1 1 16 16 VAL HA H 16 4.205 4.205 4.351 -0.146 18844 1559 1 5 . 1 1 16 16 VAL CA C 16 62.344 62.344 62.262 0.082 18844 1560 1 5 . 1 1 16 16 VAL CB C 16 32.528 32.528 32.713 -0.185 18844 1561 1 5 . 1 1 16 16 VAL H H 16 9.005 9.005 8.835 0.170 18844 1562 1 5 . 1 1 17 17 THR N N 17 116.170 116.170 117.736 -1.566 18844 1563 1 5 . 1 1 17 17 THR HA H 17 4.533 4.533 4.703 -0.170 18844 1564 1 5 . 1 1 17 17 THR CA C 17 62.331 62.331 61.820 0.511 18844 1565 1 5 . 1 1 17 17 THR CB C 17 70.040 70.040 68.959 1.081 18844 1566 1 5 . 1 1 17 17 THR H H 17 8.746 8.746 8.722 0.024 18844 1567 1 5 . 1 1 18 18 THR N N 18 107.517 107.517 116.281 -8.764 18844 1568 1 5 . 1 1 18 18 THR HA H 18 4.173 4.173 4.151 0.022 18844 1569 1 5 . 1 1 18 18 THR CA C 18 61.772 61.772 62.457 -0.685 18844 1570 1 5 . 1 1 18 18 THR CB C 18 69.121 69.121 68.975 0.146 18844 1571 1 5 . 1 1 18 18 THR H H 18 6.812 6.812 8.218 -1.406 18844 1572 1 5 . 1 1 19 19 LEU N N 19 123.019 123.019 123.622 -0.603 18844 1573 1 5 . 1 1 19 19 LEU HA H 19 4.583 4.583 4.398 0.185 18844 1574 1 5 . 1 1 19 19 LEU CA C 19 54.180 54.180 54.553 -0.373 18844 1575 1 5 . 1 1 19 19 LEU CB C 19 42.711 42.711 43.165 -0.454 18844 1576 1 5 . 1 1 19 19 LEU H H 19 8.388 8.388 7.685 0.703 18844 1577 1 5 . 1 1 20 20 SER N N 20 117.870 117.870 115.282 2.588 18844 1578 1 5 . 1 1 20 20 SER HA H 20 4.863 4.863 4.941 -0.078 18844 1579 1 5 . 1 1 20 20 SER CA C 20 56.832 56.832 56.581 0.251 18844 1580 1 5 . 1 1 20 20 SER CB C 20 67.845 67.845 66.247 1.598 18844 1581 1 5 . 1 1 20 20 SER H H 20 9.714 9.714 9.053 0.661 18844 1582 1 5 . 1 1 21 21 GLU N N 21 116.130 116.130 122.994 -6.864 18844 1583 1 5 . 1 1 21 21 GLU HA H 21 3.740 3.740 4.001 -0.261 18844 1584 1 5 . 1 1 21 21 GLU CA C 21 59.134 59.134 59.853 -0.719 18844 1585 1 5 . 1 1 21 21 GLU CB C 21 30.854 30.854 29.365 1.489 18844 1586 1 5 . 1 1 21 21 GLU H H 21 8.491 8.491 8.833 -0.342 18844 1587 1 5 . 1 1 22 22 ASP N N 22 115.741 115.741 117.290 -1.549 18844 1588 1 5 . 1 1 22 22 ASP HA H 22 4.650 4.650 4.563 0.087 18844 1589 1 5 . 1 1 22 22 ASP CA C 22 55.156 55.156 55.766 -0.610 18844 1590 1 5 . 1 1 22 22 ASP CB C 22 42.579 42.579 41.063 1.516 18844 1591 1 5 . 1 1 22 22 ASP H H 22 7.936 7.936 8.426 -0.490 18844 1592 1 5 . 1 1 23 23 ASP N N 23 119.945 119.945 117.629 2.316 18844 1593 1 5 . 1 1 23 23 ASP HA H 23 4.841 4.841 4.831 0.010 18844 1594 1 5 . 1 1 23 23 ASP CA C 23 55.223 55.223 53.735 1.488 18844 1595 1 5 . 1 1 23 23 ASP CB C 23 42.782 42.782 43.067 -0.285 18844 1596 1 5 . 1 1 23 23 ASP H H 23 7.313 7.313 8.024 -0.711 18844 1597 1 5 . 1 1 24 24 THR N N 24 107.918 107.918 108.939 -1.021 18844 1598 1 5 . 1 1 24 24 THR HA H 24 5.328 5.328 4.822 0.506 18844 1599 1 5 . 1 1 24 24 THR CA C 24 60.989 60.989 60.008 0.981 18844 1600 1 5 . 1 1 24 24 THR CB C 24 74.287 74.287 72.301 1.986 18844 1601 1 5 . 1 1 24 24 THR H H 24 9.630 9.630 7.818 1.812 18844 1602 1 5 . 1 1 25 25 VAL N N 25 120.192 120.192 121.420 -1.228 18844 1603 1 5 . 1 1 25 25 VAL HA H 25 3.334 3.334 3.728 -0.394 18844 1604 1 5 . 1 1 25 25 VAL CA C 25 67.626 67.626 66.899 0.727 18844 1605 1 5 . 1 1 25 25 VAL CB C 25 32.149 32.149 31.361 0.788 18844 1606 1 5 . 1 1 25 25 VAL H H 25 8.260 8.260 8.802 -0.542 18844 1607 1 5 . 1 1 26 26 LEU N N 26 119.941 119.941 118.214 1.727 18844 1608 1 5 . 1 1 26 26 LEU HA H 26 3.872 3.872 4.017 -0.145 18844 1609 1 5 . 1 1 26 26 LEU CA C 26 58.592 58.592 58.422 0.170 18844 1610 1 5 . 1 1 26 26 LEU CB C 26 41.716 41.716 41.175 0.541 18844 1611 1 5 . 1 1 26 26 LEU H H 26 8.523 8.523 7.255 1.268 18844 1612 1 5 . 1 1 27 27 ASP N N 27 118.322 118.322 118.622 -0.300 18844 1613 1 5 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.438 -0.165 18844 1614 1 5 . 1 1 27 27 ASP CA C 27 58.663 58.663 56.918 1.745 18844 1615 1 5 . 1 1 27 27 ASP CB C 27 40.931 40.931 40.556 0.374 18844 1616 1 5 . 1 1 27 27 ASP H H 27 7.581 7.581 8.356 -0.775 18844 1617 1 5 . 1 1 28 28 LEU N N 28 122.021 122.021 120.133 1.888 18844 1618 1 5 . 1 1 28 28 LEU HA H 28 4.083 4.083 4.198 -0.115 18844 1619 1 5 . 1 1 28 28 LEU CA C 28 58.772 58.772 57.685 1.087 18844 1620 1 5 . 1 1 28 28 LEU CB C 28 41.225 41.225 42.383 -1.158 18844 1621 1 5 . 1 1 28 28 LEU H H 28 7.837 7.837 7.329 0.508 18844 1622 1 5 . 1 1 29 29 LYS N N 29 119.086 119.086 119.552 -0.466 18844 1623 1 5 . 1 1 29 29 LYS HA H 29 4.520 4.520 3.950 0.570 18844 1624 1 5 . 1 1 29 29 LYS CA C 29 59.787 59.787 60.535 -0.748 18844 1625 1 5 . 1 1 29 29 LYS CB C 29 34.297 34.297 32.136 2.161 18844 1626 1 5 . 1 1 29 29 LYS H H 29 8.467 8.467 8.512 -0.045 18844 1627 1 5 . 1 1 30 30 GLN N N 30 119.268 119.268 118.868 0.400 18844 1628 1 5 . 1 1 30 30 GLN HA H 30 3.932 3.932 4.018 -0.086 18844 1629 1 5 . 1 1 30 30 GLN CA C 30 59.663 59.663 58.724 0.939 18844 1630 1 5 . 1 1 30 30 GLN CB C 30 27.806 27.806 27.954 -0.148 18844 1631 1 5 . 1 1 30 30 GLN H H 30 9.049 9.049 8.139 0.910 18844 1632 1 5 . 1 1 31 31 PHE N N 31 121.690 121.690 120.325 1.365 18844 1633 1 5 . 1 1 31 31 PHE HA H 31 4.218 4.218 4.294 -0.076 18844 1634 1 5 . 1 1 31 31 PHE CA C 31 61.967 61.967 60.729 1.238 18844 1635 1 5 . 1 1 31 31 PHE CB C 31 39.374 39.374 39.412 -0.038 18844 1636 1 5 . 1 1 31 31 PHE H H 31 8.039 8.039 7.455 0.584 18844 1637 1 5 . 1 1 32 32 LEU N N 32 118.232 118.232 118.044 0.188 18844 1638 1 5 . 1 1 32 32 LEU HA H 32 3.637 3.637 3.911 -0.274 18844 1639 1 5 . 1 1 32 32 LEU CA C 32 57.708 57.708 58.150 -0.442 18844 1640 1 5 . 1 1 32 32 LEU CB C 32 41.270 41.270 41.284 -0.014 18844 1641 1 5 . 1 1 32 32 LEU H H 32 8.776 8.776 8.400 0.376 18844 1642 1 5 . 1 1 33 33 LYS N N 33 125.920 125.920 118.268 7.652 18844 1643 1 5 . 1 1 33 33 LYS HA H 33 3.802 3.802 3.874 -0.072 18844 1644 1 5 . 1 1 33 33 LYS CA C 33 60.116 60.116 59.102 1.014 18844 1645 1 5 . 1 1 33 33 LYS CB C 33 31.701 31.701 31.504 0.197 18844 1646 1 5 . 1 1 33 33 LYS H H 33 8.237 8.237 8.466 -0.230 18844 1647 1 5 . 1 1 34 34 THR N N 34 114.544 114.544 112.266 2.278 18844 1648 1 5 . 1 1 34 34 THR HA H 34 3.773 3.773 4.114 -0.341 18844 1649 1 5 . 1 1 34 34 THR CA C 34 65.749 65.749 63.706 2.043 18844 1650 1 5 . 1 1 34 34 THR CB C 34 68.620 68.620 68.595 0.025 18844 1651 1 5 . 1 1 34 34 THR H H 34 7.281 7.281 7.108 0.173 18844 1652 1 5 . 1 1 35 35 LEU N N 35 117.590 117.590 120.811 -3.221 18844 1653 1 5 . 1 1 35 35 LEU HA H 35 4.018 4.018 4.128 -0.110 18844 1654 1 5 . 1 1 35 35 LEU CA C 35 57.015 57.015 57.157 -0.142 18844 1655 1 5 . 1 1 35 35 LEU CB C 35 44.003 44.003 42.481 1.522 18844 1656 1 5 . 1 1 35 35 LEU H H 35 6.752 6.752 7.603 -0.851 18844 1657 1 5 . 1 1 36 36 THR N N 36 104.865 104.865 110.373 -5.508 18844 1658 1 5 . 1 1 36 36 THR HA H 36 3.967 3.967 4.376 -0.409 18844 1659 1 5 . 1 1 36 36 THR CA C 36 62.756 62.756 62.143 0.613 18844 1660 1 5 . 1 1 36 36 THR CB C 36 72.343 72.343 70.523 1.820 18844 1661 1 5 . 1 1 36 36 THR H H 36 7.675 7.675 7.665 0.010 18844 1662 1 5 . 1 1 37 37 GLY N N 37 109.795 109.795 109.527 0.268 18844 1663 1 5 . 1 1 37 37 GLY CA C 37 45.559 45.559 44.306 1.253 18844 1664 1 5 . 1 1 37 37 GLY H H 37 7.971 7.971 7.427 0.544 18844 1665 1 5 . 1 1 38 38 VAL N N 38 122.557 122.557 119.909 2.648 18844 1666 1 5 . 1 1 38 38 VAL HA H 38 3.638 3.638 4.055 -0.417 18844 1667 1 5 . 1 1 38 38 VAL CA C 38 62.437 62.437 60.415 2.022 18844 1668 1 5 . 1 1 38 38 VAL CB C 38 31.390 31.390 33.154 -1.764 18844 1669 1 5 . 1 1 38 38 VAL H H 38 7.533 7.533 7.603 -0.070 18844 1670 1 5 . 1 1 39 39 LEU N N 39 127.828 127.828 123.051 4.777 18844 1671 1 5 . 1 1 39 39 LEU HA H 39 3.994 3.994 4.409 -0.415 18844 1672 1 5 . 1 1 39 39 LEU CA C 39 54.437 54.437 53.443 0.994 18844 1673 1 5 . 1 1 39 39 LEU CB C 39 40.557 40.557 40.040 0.517 18844 1674 1 5 . 1 1 39 39 LEU H H 39 8.634 8.634 8.299 0.335 18844 1675 1 5 . 1 1 40 40 PRO HA H 40 3.839 3.839 4.704 -0.865 18844 1676 1 5 . 1 1 40 40 PRO CA C 40 66.989 66.989 64.725 2.264 18844 1677 1 5 . 1 1 40 40 PRO CB C 40 32.322 32.322 31.964 0.358 18844 1678 1 5 . 1 1 41 41 GLU N N 41 114.752 114.752 117.926 -3.174 18844 1679 1 5 . 1 1 41 41 GLU HA H 41 4.071 4.071 4.078 -0.007 18844 1680 1 5 . 1 1 41 41 GLU CA C 41 58.938 58.938 58.629 0.309 18844 1681 1 5 . 1 1 41 41 GLU CB C 41 28.824 28.824 29.432 -0.608 18844 1682 1 5 . 1 1 41 41 GLU H H 41 9.746 9.746 8.639 1.107 18844 1683 1 5 . 1 1 42 42 ARG N N 42 118.145 118.145 115.770 2.375 18844 1684 1 5 . 1 1 42 42 ARG HA H 42 4.315 4.315 4.438 -0.123 18844 1685 1 5 . 1 1 42 42 ARG CA C 42 55.448 55.448 56.842 -1.394 18844 1686 1 5 . 1 1 42 42 ARG CB C 42 31.105 31.105 31.839 -0.734 18844 1687 1 5 . 1 1 42 42 ARG H H 42 7.938 7.938 7.542 0.396 18844 1688 1 5 . 1 1 43 43 GLN N N 43 118.250 118.250 118.584 -0.334 18844 1689 1 5 . 1 1 43 43 GLN HA H 43 4.251 4.251 4.757 -0.506 18844 1690 1 5 . 1 1 43 43 GLN CA C 43 56.537 56.537 54.617 1.920 18844 1691 1 5 . 1 1 43 43 GLN CB C 43 30.992 30.992 30.664 0.328 18844 1692 1 5 . 1 1 43 43 GLN H H 43 7.034 7.034 7.772 -0.738 18844 1693 1 5 . 1 1 44 44 LYS N N 44 122.693 122.693 119.380 3.313 18844 1694 1 5 . 1 1 44 44 LYS HA H 44 4.464 4.464 4.698 -0.234 18844 1695 1 5 . 1 1 44 44 LYS CA C 44 55.552 55.552 54.751 0.801 18844 1696 1 5 . 1 1 44 44 LYS CB C 44 34.325 34.325 34.774 -0.449 18844 1697 1 5 . 1 1 44 44 LYS H H 44 8.806 8.806 8.809 -0.003 18844 1698 1 5 . 1 1 45 45 LEU N N 45 124.806 124.806 124.010 0.796 18844 1699 1 5 . 1 1 45 45 LEU HA H 45 4.943 4.943 4.242 0.701 18844 1700 1 5 . 1 1 45 45 LEU CA C 45 53.542 53.542 55.139 -1.597 18844 1701 1 5 . 1 1 45 45 LEU CB C 45 41.821 41.821 40.842 0.979 18844 1702 1 5 . 1 1 45 45 LEU H H 45 8.704 8.704 8.614 0.090 18844 1703 1 5 . 1 1 46 46 LEU N N 46 124.709 124.709 126.075 -1.366 18844 1704 1 5 . 1 1 46 46 LEU HA H 46 4.358 4.358 4.345 0.013 18844 1705 1 5 . 1 1 46 46 LEU CA C 46 55.759 55.759 56.958 -1.199 18844 1706 1 5 . 1 1 46 46 LEU CB C 46 42.526 42.526 41.694 0.832 18844 1707 1 5 . 1 1 46 46 LEU H H 46 8.751 8.751 7.878 0.873 18844 1708 1 5 . 1 1 47 47 GLY N N 47 109.276 109.276 107.041 2.235 18844 1709 1 5 . 1 1 47 47 GLY CA C 47 45.560 45.560 44.700 0.860 18844 1710 1 5 . 1 1 47 47 GLY H H 47 8.300 8.300 8.366 -0.066 18844 1711 1 5 . 1 1 48 48 LEU N N 48 119.707 119.707 117.616 2.091 18844 1712 1 5 . 1 1 48 48 LEU HA H 48 4.590 4.590 4.207 0.383 18844 1713 1 5 . 1 1 48 48 LEU CA C 48 53.945 53.945 56.437 -2.492 18844 1714 1 5 . 1 1 48 48 LEU CB C 48 41.414 41.414 42.123 -0.709 18844 1715 1 5 . 1 1 48 48 LEU H H 48 7.581 7.581 7.408 0.173 18844 1716 1 5 . 1 1 49 49 LYS N N 49 124.527 124.527 117.463 7.064 18844 1717 1 5 . 1 1 49 49 LYS HA H 49 4.852 4.852 4.584 0.268 18844 1718 1 5 . 1 1 49 49 LYS CA C 49 55.663 55.663 54.798 0.865 18844 1719 1 5 . 1 1 49 49 LYS CB C 49 37.581 37.581 34.615 2.966 18844 1720 1 5 . 1 1 49 49 LYS H H 49 8.606 8.606 7.253 1.353 18844 1721 1 5 . 1 1 50 50 VAL N N 50 119.184 119.184 121.780 -2.596 18844 1722 1 5 . 1 1 50 50 VAL HA H 50 4.113 4.113 4.297 -0.184 18844 1723 1 5 . 1 1 50 50 VAL CA C 50 61.865 61.865 60.217 1.648 18844 1724 1 5 . 1 1 50 50 VAL CB C 50 34.734 34.734 35.148 -0.414 18844 1725 1 5 . 1 1 50 50 VAL H H 50 8.799 8.799 8.348 0.451 18844 1726 1 5 . 1 1 51 51 LYS N N 51 127.069 127.069 126.549 0.520 18844 1727 1 5 . 1 1 51 51 LYS HA H 51 3.824 3.824 3.975 -0.151 18844 1728 1 5 . 1 1 51 51 LYS CA C 51 57.407 57.407 57.005 0.402 18844 1729 1 5 . 1 1 51 51 LYS CB C 51 30.655 30.655 30.865 -0.210 18844 1730 1 5 . 1 1 51 51 LYS H H 51 9.451 9.451 9.075 0.376 18844 1731 1 5 . 1 1 52 52 GLY N N 52 102.671 102.671 104.562 -1.891 18844 1732 1 5 . 1 1 52 52 GLY CA C 52 45.810 45.810 45.019 0.791 18844 1733 1 5 . 1 1 52 52 GLY H H 52 8.512 8.512 8.242 0.270 18844 1734 1 5 . 1 1 53 53 LYS N N 53 121.307 121.307 121.593 -0.286 18844 1735 1 5 . 1 1 53 53 LYS HA H 53 4.829 4.829 4.647 0.182 18844 1736 1 5 . 1 1 53 53 LYS CA C 53 53.616 53.616 53.369 0.247 18844 1737 1 5 . 1 1 53 53 LYS CB C 53 33.940 33.940 32.168 1.772 18844 1738 1 5 . 1 1 53 53 LYS H H 53 7.781 7.781 7.878 -0.097 18844 1739 1 5 . 1 1 54 54 PRO HA H 54 4.376 4.376 4.221 0.155 18844 1740 1 5 . 1 1 54 54 PRO CA C 54 63.817 63.817 64.137 -0.320 18844 1741 1 5 . 1 1 54 54 PRO CB C 54 32.151 32.151 31.767 0.384 18844 1742 1 5 . 1 1 55 55 ALA N N 55 125.654 125.654 120.346 5.308 18844 1743 1 5 . 1 1 55 55 ALA HA H 55 4.138 4.138 3.993 0.145 18844 1744 1 5 . 1 1 55 55 ALA CA C 55 52.664 52.664 52.882 -0.218 18844 1745 1 5 . 1 1 55 55 ALA CB C 55 20.044 20.044 17.797 2.247 18844 1746 1 5 . 1 1 55 55 ALA H H 55 8.114 8.114 7.970 0.144 18844 1747 1 5 . 1 1 56 56 GLU N N 56 122.313 122.313 118.898 3.415 18844 1748 1 5 . 1 1 56 56 GLU HA H 56 4.215 4.215 4.027 0.188 18844 1749 1 5 . 1 1 56 56 GLU CA C 56 56.089 56.089 59.108 -3.019 18844 1750 1 5 . 1 1 56 56 GLU CB C 56 31.086 31.086 30.050 1.036 18844 1751 1 5 . 1 1 56 56 GLU H H 56 8.179 8.179 8.691 -0.512 18844 1752 1 5 . 1 1 57 57 ASN N N 57 115.140 115.140 109.309 5.831 18844 1753 1 5 . 1 1 57 57 ASN HA H 57 4.229 4.229 4.671 -0.442 18844 1754 1 5 . 1 1 57 57 ASN CA C 57 55.199 55.199 53.667 1.532 18844 1755 1 5 . 1 1 57 57 ASN CB C 57 39.227 39.227 38.649 0.578 18844 1756 1 5 . 1 1 57 57 ASN H H 57 8.504 8.504 7.931 0.573 18844 1757 1 5 . 1 1 58 58 ASP N N 58 112.832 112.832 121.385 -8.553 18844 1758 1 5 . 1 1 58 58 ASP HA H 58 4.488 4.488 4.507 -0.019 18844 1759 1 5 . 1 1 58 58 ASP CA C 58 53.608 53.608 54.988 -1.380 18844 1760 1 5 . 1 1 58 58 ASP CB C 58 40.304 40.304 40.601 -0.297 18844 1761 1 5 . 1 1 58 58 ASP H H 58 8.198 8.198 8.505 -0.307 18844 1762 1 5 . 1 1 59 59 VAL N N 59 122.073 122.073 120.089 1.984 18844 1763 1 5 . 1 1 59 59 VAL HA H 59 3.593 3.593 4.001 -0.408 18844 1764 1 5 . 1 1 59 59 VAL CA C 59 63.840 63.840 62.148 1.692 18844 1765 1 5 . 1 1 59 59 VAL CB C 59 32.322 32.322 32.819 -0.497 18844 1766 1 5 . 1 1 59 59 VAL H H 59 7.353 7.353 7.528 -0.175 18844 1767 1 5 . 1 1 60 60 LYS N N 60 125.064 125.064 124.503 0.561 18844 1768 1 5 . 1 1 60 60 LYS HA H 60 4.447 4.447 4.563 -0.116 18844 1769 1 5 . 1 1 60 60 LYS CA C 60 56.185 56.185 55.495 0.690 18844 1770 1 5 . 1 1 60 60 LYS CB C 60 33.105 33.105 33.693 -0.588 18844 1771 1 5 . 1 1 60 60 LYS H H 60 8.339 8.339 8.171 0.168 18844 1772 1 5 . 1 1 61 61 LEU N N 61 121.612 121.612 122.063 -0.451 18844 1773 1 5 . 1 1 61 61 LEU HA H 61 3.776 3.776 3.988 -0.212 18844 1774 1 5 . 1 1 61 61 LEU CA C 61 57.987 57.987 58.407 -0.420 18844 1775 1 5 . 1 1 61 61 LEU CB C 61 40.832 40.832 41.724 -0.892 18844 1776 1 5 . 1 1 61 61 LEU H H 61 9.423 9.423 8.849 0.574 18844 1777 1 5 . 1 1 62 62 GLY N N 62 104.008 104.008 102.771 1.237 18844 1778 1 5 . 1 1 62 62 GLY CA C 62 46.772 46.772 45.471 1.301 18844 1779 1 5 . 1 1 62 62 GLY H H 62 9.107 9.107 8.286 0.821 18844 1780 1 5 . 1 1 63 63 ALA N N 63 122.025 122.025 123.078 -1.053 18844 1781 1 5 . 1 1 63 63 ALA HA H 63 4.273 4.273 4.347 -0.074 18844 1782 1 5 . 1 1 63 63 ALA CA C 63 53.421 53.421 53.775 -0.354 18844 1783 1 5 . 1 1 63 63 ALA CB C 63 18.816 18.816 18.906 -0.090 18844 1784 1 5 . 1 1 63 63 ALA H H 63 7.755 7.755 7.589 0.166 18844 1785 1 5 . 1 1 64 64 LEU N N 64 115.454 115.454 115.418 0.036 18844 1786 1 5 . 1 1 64 64 LEU HA H 64 4.068 4.068 4.176 -0.108 18844 1787 1 5 . 1 1 64 64 LEU CA C 64 55.567 55.567 55.690 -0.123 18844 1788 1 5 . 1 1 64 64 LEU CB C 64 42.136 42.136 42.299 -0.163 18844 1789 1 5 . 1 1 64 64 LEU H H 64 7.214 7.214 7.556 -0.342 18844 1790 1 5 . 1 1 65 65 LYS N N 65 114.830 114.830 113.702 1.128 18844 1791 1 5 . 1 1 65 65 LYS HA H 65 3.838 3.838 3.867 -0.029 18844 1792 1 5 . 1 1 65 65 LYS CA C 65 56.737 56.737 56.580 0.157 18844 1793 1 5 . 1 1 65 65 LYS CB C 65 29.307 29.307 29.153 0.154 18844 1794 1 5 . 1 1 65 65 LYS H H 65 7.642 7.642 7.536 0.106 18844 1795 1 5 . 1 1 66 66 LEU N N 66 119.305 119.305 120.326 -1.021 18844 1796 1 5 . 1 1 66 66 LEU HA H 66 4.163 4.163 4.318 -0.155 18844 1797 1 5 . 1 1 66 66 LEU CA C 66 54.847 54.847 54.542 0.305 18844 1798 1 5 . 1 1 66 66 LEU CB C 66 42.712 42.712 42.870 -0.158 18844 1799 1 5 . 1 1 66 66 LEU H H 66 8.516 8.516 7.585 0.931 18844 1800 1 5 . 1 1 67 67 LYS N N 67 121.480 121.480 122.772 -1.292 18844 1801 1 5 . 1 1 67 67 LYS HA H 67 4.497 4.497 4.407 0.090 18844 1802 1 5 . 1 1 67 67 LYS CA C 67 54.152 54.152 55.145 -0.993 18844 1803 1 5 . 1 1 67 67 LYS CB C 67 31.999 31.999 32.110 -0.111 18844 1804 1 5 . 1 1 67 67 LYS H H 67 7.955 7.955 8.153 -0.198 18844 1805 1 5 . 1 1 68 68 PRO HA H 68 4.169 4.169 4.701 -0.532 18844 1806 1 5 . 1 1 68 68 PRO CA C 68 64.389 64.389 65.150 -0.760 18844 1807 1 5 . 1 1 68 68 PRO CB C 68 32.214 32.214 32.444 -0.230 18844 1808 1 5 . 1 1 69 69 ASN N N 69 115.414 115.414 116.386 -0.972 18844 1809 1 5 . 1 1 69 69 ASN HA H 69 3.962 3.962 4.638 -0.676 18844 1810 1 5 . 1 1 69 69 ASN CA C 69 55.021 55.021 53.466 1.555 18844 1811 1 5 . 1 1 69 69 ASN CB C 69 37.047 37.047 38.218 -1.171 18844 1812 1 5 . 1 1 69 69 ASN H H 69 8.966 8.966 8.178 0.787 18844 1813 1 5 . 1 1 70 70 THR N N 70 115.426 115.426 117.222 -1.796 18844 1814 1 5 . 1 1 70 70 THR HA H 70 3.949 3.949 4.082 -0.133 18844 1815 1 5 . 1 1 70 70 THR CA C 70 65.247 65.247 63.901 1.346 18844 1816 1 5 . 1 1 70 70 THR CB C 70 70.132 70.132 69.439 0.693 18844 1817 1 5 . 1 1 70 70 THR H H 70 7.712 7.712 7.699 0.013 18844 1818 1 5 . 1 1 71 71 LYS N N 71 124.603 124.603 125.987 -1.384 18844 1819 1 5 . 1 1 71 71 LYS HA H 71 5.179 5.179 4.969 0.210 18844 1820 1 5 . 1 1 71 71 LYS CA C 71 55.340 55.340 55.552 -0.212 18844 1821 1 5 . 1 1 71 71 LYS CB C 71 33.729 33.729 33.819 -0.090 18844 1822 1 5 . 1 1 71 71 LYS H H 71 8.284 8.284 8.254 0.030 18844 1823 1 5 . 1 1 72 72 ILE N N 72 123.505 123.505 123.586 -0.081 18844 1824 1 5 . 1 1 72 72 ILE HA H 72 4.511 4.511 4.380 0.131 18844 1825 1 5 . 1 1 72 72 ILE CA C 72 59.636 59.636 59.196 0.440 18844 1826 1 5 . 1 1 72 72 ILE CB C 72 40.827 40.827 39.354 1.473 18844 1827 1 5 . 1 1 72 72 ILE H H 72 9.142 9.142 8.458 0.684 18844 1828 1 5 . 1 1 73 73 MET N N 73 123.090 123.090 125.661 -2.571 18844 1829 1 5 . 1 1 73 73 MET HA H 73 5.122 5.122 4.940 0.182 18844 1830 1 5 . 1 1 73 73 MET CA C 73 54.949 54.949 55.265 -0.316 18844 1831 1 5 . 1 1 73 73 MET CB C 73 35.143 35.143 35.149 -0.006 18844 1832 1 5 . 1 1 73 73 MET H H 73 8.556 8.556 8.908 -0.352 18844 1833 1 5 . 1 1 74 74 MET N N 74 124.481 124.481 121.177 3.304 18844 1834 1 5 . 1 1 74 74 MET HA H 74 5.288 5.288 4.803 0.485 18844 1835 1 5 . 1 1 74 74 MET CA C 74 54.862 54.862 55.011 -0.149 18844 1836 1 5 . 1 1 74 74 MET CB C 74 36.294 36.294 35.641 0.653 18844 1837 1 5 . 1 1 74 74 MET H H 74 8.924 8.924 8.725 0.199 18844 1838 1 5 . 1 1 75 75 MET N N 75 123.963 123.963 123.623 0.340 18844 1839 1 5 . 1 1 75 75 MET HA H 75 5.093 5.093 5.004 0.089 18844 1840 1 5 . 1 1 75 75 MET CA C 75 54.265 54.265 54.325 -0.060 18844 1841 1 5 . 1 1 75 75 MET CB C 75 35.566 35.566 34.308 1.258 18844 1842 1 5 . 1 1 75 75 MET H H 75 9.112 9.112 8.285 0.827 18844 1843 1 5 . 1 1 76 76 GLY N N 76 109.773 109.773 111.831 -2.058 18844 1844 1 5 . 1 1 76 76 GLY CA C 76 45.901 45.901 45.367 0.534 18844 1845 1 5 . 1 1 76 76 GLY H H 76 8.711 8.711 8.680 0.031 18844 1846 1 5 . 1 1 77 77 THR N N 77 113.345 113.345 114.183 -0.838 18844 1847 1 5 . 1 1 77 77 THR HA H 77 4.787 4.787 4.682 0.105 18844 1848 1 5 . 1 1 77 77 THR CA C 77 60.728 60.728 60.351 0.377 18844 1849 1 5 . 1 1 77 77 THR CB C 77 71.481 71.481 70.924 0.557 18844 1850 1 5 . 1 1 77 77 THR H H 77 8.280 8.280 8.266 0.014 18844 1851 1 5 . 1 1 78 78 ARG N N 78 122.844 122.844 124.310 -1.466 18844 1852 1 5 . 1 1 78 78 ARG HA H 78 4.148 4.148 4.228 -0.080 18844 1853 1 5 . 1 1 78 78 ARG CA C 78 56.881 56.881 56.723 0.158 18844 1854 1 5 . 1 1 78 78 ARG CB C 78 31.607 31.607 30.733 0.874 18844 1855 1 5 . 1 1 78 78 ARG H H 78 8.852 8.852 8.536 0.316 18844 1856 1 5 . 1 1 79 79 GLU N N 79 122.181 122.181 121.928 0.253 18844 1857 1 5 . 1 1 79 79 GLU HA H 79 4.206 4.206 4.158 0.048 18844 1858 1 5 . 1 1 79 79 GLU CA C 79 57.007 57.007 56.628 0.379 18844 1859 1 5 . 1 1 79 79 GLU CB C 79 30.764 30.764 30.211 0.553 18844 1860 1 5 . 1 1 79 79 GLU H H 79 8.300 8.300 8.505 -0.205 18844 1861 1 5 . 1 1 80 80 GLU N N 80 126.965 126.965 119.833 7.132 18844 1862 1 5 . 1 1 80 80 GLU HA H 80 4.049 4.049 4.708 -0.659 18844 1863 1 5 . 1 1 80 80 GLU CA C 80 58.328 58.328 56.354 1.974 18844 1864 1 5 . 1 1 80 80 GLU CB C 80 31.287 31.287 30.067 1.220 18844 1865 1 5 . 1 1 80 80 GLU H H 80 8.015 8.015 8.567 -0.552 18844 1866 1 6 . 1 1 2 2 ALA N N 2 126.014 126.014 122.596 3.418 18844 1867 1 6 . 1 1 2 2 ALA HA H 2 4.033 4.033 4.745 -0.712 18844 1868 1 6 . 1 1 2 2 ALA CA C 2 53.215 53.215 51.346 1.869 18844 1869 1 6 . 1 1 2 2 ALA CB C 2 19.376 19.376 20.396 -1.020 18844 1870 1 6 . 1 1 2 2 ALA H H 2 8.410 8.410 8.300 0.110 18844 1871 1 6 . 1 1 3 3 LEU N N 3 123.255 123.255 123.924 -0.669 18844 1872 1 6 . 1 1 3 3 LEU HA H 3 4.646 4.646 4.611 0.035 18844 1873 1 6 . 1 1 3 3 LEU CA C 3 51.817 51.817 52.241 -0.424 18844 1874 1 6 . 1 1 3 3 LEU CB C 3 43.557 43.557 43.218 0.339 18844 1875 1 6 . 1 1 3 3 LEU H H 3 8.271 8.271 8.489 -0.218 18844 1876 1 6 . 1 1 4 4 PRO HA H 4 4.606 4.606 4.548 0.058 18844 1877 1 6 . 1 1 4 4 PRO CA C 4 63.240 63.240 62.419 0.821 18844 1878 1 6 . 1 1 4 4 PRO CB C 4 32.070 32.070 32.722 -0.652 18844 1879 1 6 . 1 1 5 5 ILE N N 5 122.161 122.161 118.174 3.987 18844 1880 1 6 . 1 1 5 5 ILE HA H 5 4.359 4.359 4.838 -0.479 18844 1881 1 6 . 1 1 5 5 ILE CA C 5 60.833 60.833 60.489 0.344 18844 1882 1 6 . 1 1 5 5 ILE CB C 5 43.943 43.943 42.708 1.235 18844 1883 1 6 . 1 1 5 5 ILE H H 5 8.317 8.317 7.698 0.619 18844 1884 1 6 . 1 1 6 6 ILE N N 6 125.649 125.649 126.311 -0.662 18844 1885 1 6 . 1 1 6 6 ILE HA H 6 4.921 4.921 4.722 0.199 18844 1886 1 6 . 1 1 6 6 ILE CA C 6 59.865 59.865 60.861 -0.996 18844 1887 1 6 . 1 1 6 6 ILE CB C 6 40.264 40.264 40.312 -0.048 18844 1888 1 6 . 1 1 6 6 ILE H H 6 8.408 8.408 8.448 -0.040 18844 1889 1 6 . 1 1 7 7 VAL N N 7 125.741 125.741 126.769 -1.028 18844 1890 1 6 . 1 1 7 7 VAL HA H 7 4.930 4.930 4.711 0.219 18844 1891 1 6 . 1 1 7 7 VAL CA C 7 60.363 60.363 60.480 -0.117 18844 1892 1 6 . 1 1 7 7 VAL CB C 7 34.759 34.759 35.138 -0.379 18844 1893 1 6 . 1 1 7 7 VAL H H 7 9.155 9.155 9.138 0.017 18844 1894 1 6 . 1 1 8 8 LYS N N 8 128.098 128.098 128.774 -0.676 18844 1895 1 6 . 1 1 8 8 LYS HA H 8 5.232 5.232 5.461 -0.229 18844 1896 1 6 . 1 1 8 8 LYS CA C 8 55.275 55.275 54.555 0.720 18844 1897 1 6 . 1 1 8 8 LYS CB C 8 34.935 34.935 34.510 0.425 18844 1898 1 6 . 1 1 8 8 LYS H H 8 9.174 9.174 8.933 0.241 18844 1899 1 6 . 1 1 9 9 TRP N N 9 125.952 125.952 128.219 -2.267 18844 1900 1 6 . 1 1 9 9 TRP HA H 9 5.185 5.185 4.917 0.268 18844 1901 1 6 . 1 1 9 9 TRP CA C 9 57.734 57.734 56.630 1.104 18844 1902 1 6 . 1 1 9 9 TRP CB C 9 31.561 31.561 31.349 0.211 18844 1903 1 6 . 1 1 9 9 TRP H H 9 8.844 8.844 8.385 0.459 18844 1904 1 6 . 1 1 10 10 GLY N N 10 117.044 117.044 116.446 0.598 18844 1905 1 6 . 1 1 10 10 GLY CA C 10 47.101 47.101 45.130 1.971 18844 1906 1 6 . 1 1 10 10 GLY H H 10 8.683 8.683 8.501 0.182 18844 1907 1 6 . 1 1 11 11 GLY N N 11 109.364 109.364 110.957 -1.593 18844 1908 1 6 . 1 1 11 11 GLY CA C 11 45.460 45.460 45.302 0.158 18844 1909 1 6 . 1 1 11 11 GLY H H 11 8.600 8.600 8.101 0.499 18844 1910 1 6 . 1 1 12 12 GLN N N 12 119.388 119.388 119.837 -0.449 18844 1911 1 6 . 1 1 12 12 GLN HA H 12 4.483 4.483 4.625 -0.142 18844 1912 1 6 . 1 1 12 12 GLN CA C 12 54.502 54.502 54.766 -0.264 18844 1913 1 6 . 1 1 12 12 GLN CB C 12 32.178 32.178 31.869 0.309 18844 1914 1 6 . 1 1 12 12 GLN H H 12 7.865 7.865 7.704 0.161 18844 1915 1 6 . 1 1 13 13 GLU N N 13 119.756 119.756 121.755 -1.999 18844 1916 1 6 . 1 1 13 13 GLU HA H 13 4.880 4.880 4.825 0.055 18844 1917 1 6 . 1 1 13 13 GLU CA C 13 55.655 55.655 55.449 0.206 18844 1918 1 6 . 1 1 13 13 GLU CB C 13 32.306 32.306 31.697 0.609 18844 1919 1 6 . 1 1 13 13 GLU H H 13 8.172 8.172 8.472 -0.300 18844 1920 1 6 . 1 1 14 14 TYR N N 14 122.812 122.812 122.069 0.743 18844 1921 1 6 . 1 1 14 14 TYR HA H 14 4.601 4.601 4.771 -0.170 18844 1922 1 6 . 1 1 14 14 TYR CA C 14 57.246 57.246 56.773 0.473 18844 1923 1 6 . 1 1 14 14 TYR CB C 14 40.544 40.544 41.228 -0.685 18844 1924 1 6 . 1 1 14 14 TYR H H 14 9.381 9.381 8.790 0.591 18844 1925 1 6 . 1 1 15 15 SER N N 15 118.339 118.339 119.677 -1.338 18844 1926 1 6 . 1 1 15 15 SER HA H 15 4.747 4.747 4.597 0.150 18844 1927 1 6 . 1 1 15 15 SER CA C 15 58.099 58.099 57.958 0.141 18844 1928 1 6 . 1 1 15 15 SER CB C 15 63.394 63.394 63.786 -0.392 18844 1929 1 6 . 1 1 15 15 SER H H 15 8.802 8.802 8.669 0.133 18844 1930 1 6 . 1 1 16 16 VAL N N 16 128.611 128.611 125.295 3.316 18844 1931 1 6 . 1 1 16 16 VAL HA H 16 4.205 4.205 4.332 -0.127 18844 1932 1 6 . 1 1 16 16 VAL CA C 16 62.344 62.344 62.390 -0.046 18844 1933 1 6 . 1 1 16 16 VAL CB C 16 32.528 32.528 32.828 -0.300 18844 1934 1 6 . 1 1 16 16 VAL H H 16 9.005 9.005 8.881 0.124 18844 1935 1 6 . 1 1 17 17 THR N N 17 116.170 116.170 117.475 -1.305 18844 1936 1 6 . 1 1 17 17 THR HA H 17 4.533 4.533 4.669 -0.136 18844 1937 1 6 . 1 1 17 17 THR CA C 17 62.331 62.331 61.910 0.421 18844 1938 1 6 . 1 1 17 17 THR CB C 17 70.040 70.040 68.830 1.210 18844 1939 1 6 . 1 1 17 17 THR H H 17 8.746 8.746 8.595 0.151 18844 1940 1 6 . 1 1 18 18 THR N N 18 107.517 107.517 115.990 -8.473 18844 1941 1 6 . 1 1 18 18 THR HA H 18 4.173 4.173 4.152 0.021 18844 1942 1 6 . 1 1 18 18 THR CA C 18 61.772 61.772 62.424 -0.652 18844 1943 1 6 . 1 1 18 18 THR CB C 18 69.121 69.121 68.913 0.208 18844 1944 1 6 . 1 1 18 18 THR H H 18 6.812 6.812 7.977 -1.165 18844 1945 1 6 . 1 1 19 19 LEU N N 19 123.019 123.019 122.939 0.080 18844 1946 1 6 . 1 1 19 19 LEU HA H 19 4.583 4.583 4.386 0.197 18844 1947 1 6 . 1 1 19 19 LEU CA C 19 54.180 54.180 54.406 -0.226 18844 1948 1 6 . 1 1 19 19 LEU CB C 19 42.711 42.711 43.015 -0.304 18844 1949 1 6 . 1 1 19 19 LEU H H 19 8.388 8.388 7.818 0.570 18844 1950 1 6 . 1 1 20 20 SER N N 20 117.870 117.870 115.553 2.317 18844 1951 1 6 . 1 1 20 20 SER HA H 20 4.863 4.863 4.906 -0.043 18844 1952 1 6 . 1 1 20 20 SER CA C 20 56.832 56.832 56.760 0.072 18844 1953 1 6 . 1 1 20 20 SER CB C 20 67.845 67.845 66.751 1.094 18844 1954 1 6 . 1 1 20 20 SER H H 20 9.714 9.714 8.852 0.862 18844 1955 1 6 . 1 1 21 21 GLU N N 21 116.130 116.130 121.916 -5.786 18844 1956 1 6 . 1 1 21 21 GLU HA H 21 3.740 3.740 4.003 -0.263 18844 1957 1 6 . 1 1 21 21 GLU CA C 21 59.134 59.134 59.551 -0.417 18844 1958 1 6 . 1 1 21 21 GLU CB C 21 30.854 30.854 29.306 1.548 18844 1959 1 6 . 1 1 21 21 GLU H H 21 8.491 8.491 8.882 -0.391 18844 1960 1 6 . 1 1 22 22 ASP N N 22 115.741 115.741 118.009 -2.268 18844 1961 1 6 . 1 1 22 22 ASP HA H 22 4.650 4.650 4.521 0.129 18844 1962 1 6 . 1 1 22 22 ASP CA C 22 55.156 55.156 55.861 -0.705 18844 1963 1 6 . 1 1 22 22 ASP CB C 22 42.579 42.579 41.078 1.500 18844 1964 1 6 . 1 1 22 22 ASP H H 22 7.936 7.936 8.441 -0.505 18844 1965 1 6 . 1 1 23 23 ASP N N 23 119.945 119.945 118.191 1.754 18844 1966 1 6 . 1 1 23 23 ASP HA H 23 4.841 4.841 4.785 0.056 18844 1967 1 6 . 1 1 23 23 ASP CA C 23 55.223 55.223 53.777 1.446 18844 1968 1 6 . 1 1 23 23 ASP CB C 23 42.782 42.782 42.489 0.293 18844 1969 1 6 . 1 1 23 23 ASP H H 23 7.313 7.313 8.022 -0.709 18844 1970 1 6 . 1 1 24 24 THR N N 24 107.918 107.918 109.593 -1.675 18844 1971 1 6 . 1 1 24 24 THR HA H 24 5.328 5.328 4.819 0.509 18844 1972 1 6 . 1 1 24 24 THR CA C 24 60.989 60.989 60.207 0.782 18844 1973 1 6 . 1 1 24 24 THR CB C 24 74.287 74.287 72.083 2.204 18844 1974 1 6 . 1 1 24 24 THR H H 24 9.630 9.630 7.808 1.822 18844 1975 1 6 . 1 1 25 25 VAL N N 25 120.192 120.192 121.359 -1.167 18844 1976 1 6 . 1 1 25 25 VAL HA H 25 3.334 3.334 3.701 -0.367 18844 1977 1 6 . 1 1 25 25 VAL CA C 25 67.626 67.626 67.196 0.430 18844 1978 1 6 . 1 1 25 25 VAL CB C 25 32.149 32.149 31.560 0.589 18844 1979 1 6 . 1 1 25 25 VAL H H 25 8.260 8.260 8.561 -0.301 18844 1980 1 6 . 1 1 26 26 LEU N N 26 119.941 119.941 118.502 1.439 18844 1981 1 6 . 1 1 26 26 LEU HA H 26 3.872 3.872 4.023 -0.151 18844 1982 1 6 . 1 1 26 26 LEU CA C 26 58.592 58.592 58.167 0.425 18844 1983 1 6 . 1 1 26 26 LEU CB C 26 41.716 41.716 41.274 0.442 18844 1984 1 6 . 1 1 26 26 LEU H H 26 8.523 8.523 7.279 1.244 18844 1985 1 6 . 1 1 27 27 ASP N N 27 118.322 118.322 118.809 -0.487 18844 1986 1 6 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.425 -0.152 18844 1987 1 6 . 1 1 27 27 ASP CA C 27 58.663 58.663 56.863 1.800 18844 1988 1 6 . 1 1 27 27 ASP CB C 27 40.931 40.931 40.519 0.412 18844 1989 1 6 . 1 1 27 27 ASP H H 27 7.581 7.581 8.352 -0.771 18844 1990 1 6 . 1 1 28 28 LEU N N 28 122.021 122.021 120.184 1.837 18844 1991 1 6 . 1 1 28 28 LEU HA H 28 4.083 4.083 4.154 -0.071 18844 1992 1 6 . 1 1 28 28 LEU CA C 28 58.772 58.772 58.121 0.651 18844 1993 1 6 . 1 1 28 28 LEU CB C 28 41.225 41.225 42.285 -1.060 18844 1994 1 6 . 1 1 28 28 LEU H H 28 7.837 7.837 7.300 0.537 18844 1995 1 6 . 1 1 29 29 LYS N N 29 119.086 119.086 119.925 -0.839 18844 1996 1 6 . 1 1 29 29 LYS HA H 29 4.520 4.520 3.930 0.590 18844 1997 1 6 . 1 1 29 29 LYS CA C 29 59.787 59.787 60.392 -0.605 18844 1998 1 6 . 1 1 29 29 LYS CB C 29 34.297 34.297 32.123 2.174 18844 1999 1 6 . 1 1 29 29 LYS H H 29 8.467 8.467 8.571 -0.104 18844 2000 1 6 . 1 1 30 30 GLN N N 30 119.268 119.268 118.035 1.233 18844 2001 1 6 . 1 1 30 30 GLN HA H 30 3.932 3.932 4.034 -0.102 18844 2002 1 6 . 1 1 30 30 GLN CA C 30 59.663 59.663 58.667 0.996 18844 2003 1 6 . 1 1 30 30 GLN CB C 30 27.806 27.806 28.010 -0.204 18844 2004 1 6 . 1 1 30 30 GLN H H 30 9.049 9.049 8.021 1.028 18844 2005 1 6 . 1 1 31 31 PHE N N 31 121.690 121.690 120.289 1.401 18844 2006 1 6 . 1 1 31 31 PHE HA H 31 4.218 4.218 4.302 -0.084 18844 2007 1 6 . 1 1 31 31 PHE CA C 31 61.967 61.967 60.469 1.498 18844 2008 1 6 . 1 1 31 31 PHE CB C 31 39.374 39.374 39.611 -0.237 18844 2009 1 6 . 1 1 31 31 PHE H H 31 8.039 8.039 7.432 0.607 18844 2010 1 6 . 1 1 32 32 LEU N N 32 118.232 118.232 118.073 0.159 18844 2011 1 6 . 1 1 32 32 LEU HA H 32 3.637 3.637 3.880 -0.243 18844 2012 1 6 . 1 1 32 32 LEU CA C 32 57.708 57.708 58.159 -0.451 18844 2013 1 6 . 1 1 32 32 LEU CB C 32 41.270 41.270 41.264 0.006 18844 2014 1 6 . 1 1 32 32 LEU H H 32 8.776 8.776 8.419 0.357 18844 2015 1 6 . 1 1 33 33 LYS N N 33 125.920 125.920 118.897 7.023 18844 2016 1 6 . 1 1 33 33 LYS HA H 33 3.802 3.802 3.867 -0.065 18844 2017 1 6 . 1 1 33 33 LYS CA C 33 60.116 60.116 59.094 1.022 18844 2018 1 6 . 1 1 33 33 LYS CB C 33 31.701 31.701 31.465 0.236 18844 2019 1 6 . 1 1 33 33 LYS H H 33 8.237 8.237 8.459 -0.222 18844 2020 1 6 . 1 1 34 34 THR N N 34 114.544 114.544 112.072 2.472 18844 2021 1 6 . 1 1 34 34 THR HA H 34 3.773 3.773 4.058 -0.285 18844 2022 1 6 . 1 1 34 34 THR CA C 34 65.749 65.749 63.858 1.891 18844 2023 1 6 . 1 1 34 34 THR CB C 34 68.620 68.620 68.722 -0.102 18844 2024 1 6 . 1 1 34 34 THR H H 34 7.281 7.281 7.060 0.221 18844 2025 1 6 . 1 1 35 35 LEU N N 35 117.590 117.590 120.654 -3.064 18844 2026 1 6 . 1 1 35 35 LEU HA H 35 4.018 4.018 4.079 -0.061 18844 2027 1 6 . 1 1 35 35 LEU CA C 35 57.015 57.015 57.094 -0.079 18844 2028 1 6 . 1 1 35 35 LEU CB C 35 44.003 44.003 42.526 1.477 18844 2029 1 6 . 1 1 35 35 LEU H H 35 6.752 6.752 7.634 -0.882 18844 2030 1 6 . 1 1 36 36 THR N N 36 104.865 104.865 110.004 -5.139 18844 2031 1 6 . 1 1 36 36 THR HA H 36 3.967 3.967 4.312 -0.345 18844 2032 1 6 . 1 1 36 36 THR CA C 36 62.756 62.756 62.252 0.505 18844 2033 1 6 . 1 1 36 36 THR CB C 36 72.343 72.343 69.931 2.412 18844 2034 1 6 . 1 1 36 36 THR H H 36 7.675 7.675 7.608 0.067 18844 2035 1 6 . 1 1 37 37 GLY N N 37 109.795 109.795 109.501 0.294 18844 2036 1 6 . 1 1 37 37 GLY CA C 37 45.559 45.559 44.386 1.173 18844 2037 1 6 . 1 1 37 37 GLY H H 37 7.971 7.971 7.376 0.595 18844 2038 1 6 . 1 1 38 38 VAL N N 38 122.557 122.557 119.802 2.755 18844 2039 1 6 . 1 1 38 38 VAL HA H 38 3.638 3.638 4.014 -0.376 18844 2040 1 6 . 1 1 38 38 VAL CA C 38 62.437 62.437 60.395 2.042 18844 2041 1 6 . 1 1 38 38 VAL CB C 38 31.390 31.390 33.218 -1.828 18844 2042 1 6 . 1 1 38 38 VAL H H 38 7.533 7.533 7.371 0.162 18844 2043 1 6 . 1 1 39 39 LEU N N 39 127.828 127.828 123.029 4.799 18844 2044 1 6 . 1 1 39 39 LEU HA H 39 3.994 3.994 4.445 -0.451 18844 2045 1 6 . 1 1 39 39 LEU CA C 39 54.437 54.437 53.497 0.940 18844 2046 1 6 . 1 1 39 39 LEU CB C 39 40.557 40.557 40.186 0.371 18844 2047 1 6 . 1 1 39 39 LEU H H 39 8.634 8.634 8.260 0.374 18844 2048 1 6 . 1 1 40 40 PRO HA H 40 3.839 3.839 4.563 -0.724 18844 2049 1 6 . 1 1 40 40 PRO CA C 40 66.989 66.989 64.728 2.261 18844 2050 1 6 . 1 1 40 40 PRO CB C 40 32.322 32.322 31.978 0.344 18844 2051 1 6 . 1 1 41 41 GLU N N 41 114.752 114.752 118.021 -3.269 18844 2052 1 6 . 1 1 41 41 GLU HA H 41 4.071 4.071 4.074 -0.003 18844 2053 1 6 . 1 1 41 41 GLU CA C 41 58.938 58.938 58.550 0.389 18844 2054 1 6 . 1 1 41 41 GLU CB C 41 28.824 28.824 29.460 -0.636 18844 2055 1 6 . 1 1 41 41 GLU H H 41 9.746 9.746 8.677 1.069 18844 2056 1 6 . 1 1 42 42 ARG N N 42 118.145 118.145 115.847 2.298 18844 2057 1 6 . 1 1 42 42 ARG HA H 42 4.315 4.315 4.420 -0.105 18844 2058 1 6 . 1 1 42 42 ARG CA C 42 55.448 55.448 56.911 -1.463 18844 2059 1 6 . 1 1 42 42 ARG CB C 42 31.105 31.105 31.944 -0.839 18844 2060 1 6 . 1 1 42 42 ARG H H 42 7.938 7.938 7.549 0.389 18844 2061 1 6 . 1 1 43 43 GLN N N 43 118.250 118.250 118.400 -0.150 18844 2062 1 6 . 1 1 43 43 GLN HA H 43 4.251 4.251 4.791 -0.540 18844 2063 1 6 . 1 1 43 43 GLN CA C 43 56.537 56.537 54.733 1.804 18844 2064 1 6 . 1 1 43 43 GLN CB C 43 30.992 30.992 30.951 0.041 18844 2065 1 6 . 1 1 43 43 GLN H H 43 7.034 7.034 7.783 -0.749 18844 2066 1 6 . 1 1 44 44 LYS N N 44 122.693 122.693 119.621 3.072 18844 2067 1 6 . 1 1 44 44 LYS HA H 44 4.464 4.464 4.737 -0.273 18844 2068 1 6 . 1 1 44 44 LYS CA C 44 55.552 55.552 54.542 1.010 18844 2069 1 6 . 1 1 44 44 LYS CB C 44 34.325 34.325 34.930 -0.605 18844 2070 1 6 . 1 1 44 44 LYS H H 44 8.806 8.806 8.951 -0.145 18844 2071 1 6 . 1 1 45 45 LEU N N 45 124.806 124.806 124.256 0.550 18844 2072 1 6 . 1 1 45 45 LEU HA H 45 4.943 4.943 4.249 0.694 18844 2073 1 6 . 1 1 45 45 LEU CA C 45 53.542 53.542 55.114 -1.572 18844 2074 1 6 . 1 1 45 45 LEU CB C 45 41.821 41.821 40.877 0.944 18844 2075 1 6 . 1 1 45 45 LEU H H 45 8.704 8.704 8.725 -0.021 18844 2076 1 6 . 1 1 46 46 LEU N N 46 124.709 124.709 126.218 -1.509 18844 2077 1 6 . 1 1 46 46 LEU HA H 46 4.358 4.358 4.355 0.003 18844 2078 1 6 . 1 1 46 46 LEU CA C 46 55.759 55.759 56.988 -1.229 18844 2079 1 6 . 1 1 46 46 LEU CB C 46 42.526 42.526 41.672 0.854 18844 2080 1 6 . 1 1 46 46 LEU H H 46 8.751 8.751 7.861 0.890 18844 2081 1 6 . 1 1 47 47 GLY N N 47 109.276 109.276 106.966 2.310 18844 2082 1 6 . 1 1 47 47 GLY CA C 47 45.560 45.560 44.721 0.839 18844 2083 1 6 . 1 1 47 47 GLY H H 47 8.300 8.300 8.388 -0.088 18844 2084 1 6 . 1 1 48 48 LEU N N 48 119.707 119.707 117.388 2.319 18844 2085 1 6 . 1 1 48 48 LEU HA H 48 4.590 4.590 4.191 0.399 18844 2086 1 6 . 1 1 48 48 LEU CA C 48 53.945 53.945 56.518 -2.573 18844 2087 1 6 . 1 1 48 48 LEU CB C 48 41.414 41.414 42.126 -0.712 18844 2088 1 6 . 1 1 48 48 LEU H H 48 7.581 7.581 7.398 0.183 18844 2089 1 6 . 1 1 49 49 LYS N N 49 124.527 124.527 117.582 6.945 18844 2090 1 6 . 1 1 49 49 LYS HA H 49 4.852 4.852 4.558 0.294 18844 2091 1 6 . 1 1 49 49 LYS CA C 49 55.663 55.663 54.892 0.771 18844 2092 1 6 . 1 1 49 49 LYS CB C 49 37.581 37.581 34.387 3.194 18844 2093 1 6 . 1 1 49 49 LYS H H 49 8.606 8.606 7.304 1.302 18844 2094 1 6 . 1 1 50 50 VAL N N 50 119.184 119.184 122.245 -3.061 18844 2095 1 6 . 1 1 50 50 VAL HA H 50 4.113 4.113 4.283 -0.170 18844 2096 1 6 . 1 1 50 50 VAL CA C 50 61.865 61.865 60.198 1.667 18844 2097 1 6 . 1 1 50 50 VAL CB C 50 34.734 34.734 35.172 -0.438 18844 2098 1 6 . 1 1 50 50 VAL H H 50 8.799 8.799 8.741 0.058 18844 2099 1 6 . 1 1 51 51 LYS N N 51 127.069 127.069 126.426 0.643 18844 2100 1 6 . 1 1 51 51 LYS HA H 51 3.824 3.824 3.987 -0.163 18844 2101 1 6 . 1 1 51 51 LYS CA C 51 57.407 57.407 57.124 0.283 18844 2102 1 6 . 1 1 51 51 LYS CB C 51 30.655 30.655 30.190 0.465 18844 2103 1 6 . 1 1 51 51 LYS H H 51 9.451 9.451 9.046 0.405 18844 2104 1 6 . 1 1 52 52 GLY N N 52 102.671 102.671 101.670 1.001 18844 2105 1 6 . 1 1 52 52 GLY CA C 52 45.810 45.810 44.867 0.943 18844 2106 1 6 . 1 1 52 52 GLY H H 52 8.512 8.512 8.323 0.189 18844 2107 1 6 . 1 1 53 53 LYS N N 53 121.307 121.307 122.033 -0.726 18844 2108 1 6 . 1 1 53 53 LYS HA H 53 4.829 4.829 4.663 0.166 18844 2109 1 6 . 1 1 53 53 LYS CA C 53 53.616 53.616 52.959 0.657 18844 2110 1 6 . 1 1 53 53 LYS CB C 53 33.940 33.940 32.621 1.319 18844 2111 1 6 . 1 1 53 53 LYS H H 53 7.781 7.781 7.833 -0.052 18844 2112 1 6 . 1 1 54 54 PRO HA H 54 4.376 4.376 4.216 0.160 18844 2113 1 6 . 1 1 54 54 PRO CA C 54 63.817 63.817 64.309 -0.492 18844 2114 1 6 . 1 1 54 54 PRO CB C 54 32.151 32.151 31.859 0.292 18844 2115 1 6 . 1 1 55 55 ALA N N 55 125.654 125.654 118.571 7.083 18844 2116 1 6 . 1 1 55 55 ALA HA H 55 4.138 4.138 3.935 0.203 18844 2117 1 6 . 1 1 55 55 ALA CA C 55 52.664 52.664 52.928 -0.264 18844 2118 1 6 . 1 1 55 55 ALA CB C 55 20.044 20.044 17.889 2.155 18844 2119 1 6 . 1 1 55 55 ALA H H 55 8.114 8.114 8.101 0.013 18844 2120 1 6 . 1 1 56 56 GLU N N 56 122.313 122.313 118.203 4.110 18844 2121 1 6 . 1 1 56 56 GLU HA H 56 4.215 4.215 4.042 0.173 18844 2122 1 6 . 1 1 56 56 GLU CA C 56 56.089 56.089 59.315 -3.226 18844 2123 1 6 . 1 1 56 56 GLU CB C 56 31.086 31.086 30.179 0.907 18844 2124 1 6 . 1 1 56 56 GLU H H 56 8.179 8.179 8.632 -0.453 18844 2125 1 6 . 1 1 57 57 ASN N N 57 115.140 115.140 109.998 5.142 18844 2126 1 6 . 1 1 57 57 ASN HA H 57 4.229 4.229 4.693 -0.464 18844 2127 1 6 . 1 1 57 57 ASN CA C 57 55.199 55.199 53.930 1.269 18844 2128 1 6 . 1 1 57 57 ASN CB C 57 39.227 39.227 38.445 0.782 18844 2129 1 6 . 1 1 57 57 ASN H H 57 8.504 8.504 7.952 0.552 18844 2130 1 6 . 1 1 58 58 ASP N N 58 112.832 112.832 119.803 -6.971 18844 2131 1 6 . 1 1 58 58 ASP HA H 58 4.488 4.488 4.524 -0.036 18844 2132 1 6 . 1 1 58 58 ASP CA C 58 53.608 53.608 54.516 -0.908 18844 2133 1 6 . 1 1 58 58 ASP CB C 58 40.304 40.304 40.776 -0.472 18844 2134 1 6 . 1 1 58 58 ASP H H 58 8.198 8.198 8.491 -0.293 18844 2135 1 6 . 1 1 59 59 VAL N N 59 122.073 122.073 119.341 2.732 18844 2136 1 6 . 1 1 59 59 VAL HA H 59 3.593 3.593 4.096 -0.503 18844 2137 1 6 . 1 1 59 59 VAL CA C 59 63.840 63.840 61.129 2.711 18844 2138 1 6 . 1 1 59 59 VAL CB C 59 32.322 32.322 33.157 -0.835 18844 2139 1 6 . 1 1 59 59 VAL H H 59 7.353 7.353 7.472 -0.119 18844 2140 1 6 . 1 1 60 60 LYS N N 60 125.064 125.064 124.264 0.800 18844 2141 1 6 . 1 1 60 60 LYS HA H 60 4.447 4.447 4.540 -0.093 18844 2142 1 6 . 1 1 60 60 LYS CA C 60 56.185 56.185 55.537 0.648 18844 2143 1 6 . 1 1 60 60 LYS CB C 60 33.105 33.105 33.548 -0.443 18844 2144 1 6 . 1 1 60 60 LYS H H 60 8.339 8.339 8.282 0.057 18844 2145 1 6 . 1 1 61 61 LEU N N 61 121.612 121.612 122.686 -1.074 18844 2146 1 6 . 1 1 61 61 LEU HA H 61 3.776 3.776 3.995 -0.219 18844 2147 1 6 . 1 1 61 61 LEU CA C 61 57.987 57.987 57.913 0.074 18844 2148 1 6 . 1 1 61 61 LEU CB C 61 40.832 40.832 41.715 -0.883 18844 2149 1 6 . 1 1 61 61 LEU H H 61 9.423 9.423 8.896 0.527 18844 2150 1 6 . 1 1 62 62 GLY N N 62 104.008 104.008 103.470 0.538 18844 2151 1 6 . 1 1 62 62 GLY CA C 62 46.772 46.772 45.701 1.071 18844 2152 1 6 . 1 1 62 62 GLY H H 62 9.107 9.107 7.930 1.177 18844 2153 1 6 . 1 1 63 63 ALA N N 63 122.025 122.025 122.435 -0.410 18844 2154 1 6 . 1 1 63 63 ALA HA H 63 4.273 4.273 4.418 -0.145 18844 2155 1 6 . 1 1 63 63 ALA CA C 63 53.421 53.421 53.234 0.187 18844 2156 1 6 . 1 1 63 63 ALA CB C 63 18.816 18.816 18.996 -0.180 18844 2157 1 6 . 1 1 63 63 ALA H H 63 7.755 7.755 7.707 0.048 18844 2158 1 6 . 1 1 64 64 LEU N N 64 115.454 115.454 114.626 0.828 18844 2159 1 6 . 1 1 64 64 LEU HA H 64 4.068 4.068 4.262 -0.194 18844 2160 1 6 . 1 1 64 64 LEU CA C 64 55.567 55.567 54.734 0.833 18844 2161 1 6 . 1 1 64 64 LEU CB C 64 42.136 42.136 42.191 -0.055 18844 2162 1 6 . 1 1 64 64 LEU H H 64 7.214 7.214 7.261 -0.047 18844 2163 1 6 . 1 1 65 65 LYS N N 65 114.830 114.830 115.032 -0.202 18844 2164 1 6 . 1 1 65 65 LYS HA H 65 3.838 3.838 3.893 -0.055 18844 2165 1 6 . 1 1 65 65 LYS CA C 65 56.737 56.737 56.886 -0.149 18844 2166 1 6 . 1 1 65 65 LYS CB C 65 29.307 29.307 29.410 -0.103 18844 2167 1 6 . 1 1 65 65 LYS H H 65 7.642 7.642 7.789 -0.147 18844 2168 1 6 . 1 1 66 66 LEU N N 66 119.305 119.305 119.299 0.006 18844 2169 1 6 . 1 1 66 66 LEU HA H 66 4.163 4.163 4.352 -0.189 18844 2170 1 6 . 1 1 66 66 LEU CA C 66 54.847 54.847 54.120 0.727 18844 2171 1 6 . 1 1 66 66 LEU CB C 66 42.712 42.712 43.644 -0.932 18844 2172 1 6 . 1 1 66 66 LEU H H 66 8.516 8.516 7.832 0.684 18844 2173 1 6 . 1 1 67 67 LYS N N 67 121.480 121.480 122.964 -1.484 18844 2174 1 6 . 1 1 67 67 LYS HA H 67 4.497 4.497 4.413 0.084 18844 2175 1 6 . 1 1 67 67 LYS CA C 67 54.152 54.152 55.701 -1.549 18844 2176 1 6 . 1 1 67 67 LYS CB C 67 31.999 31.999 32.226 -0.227 18844 2177 1 6 . 1 1 67 67 LYS H H 67 7.955 7.955 8.151 -0.196 18844 2178 1 6 . 1 1 68 68 PRO HA H 68 4.169 4.169 4.637 -0.468 18844 2179 1 6 . 1 1 68 68 PRO CA C 68 64.389 64.389 65.126 -0.737 18844 2180 1 6 . 1 1 68 68 PRO CB C 68 32.214 32.214 32.327 -0.113 18844 2181 1 6 . 1 1 69 69 ASN N N 69 115.414 115.414 116.349 -0.935 18844 2182 1 6 . 1 1 69 69 ASN HA H 69 3.962 3.962 4.627 -0.665 18844 2183 1 6 . 1 1 69 69 ASN CA C 69 55.021 55.021 53.690 1.331 18844 2184 1 6 . 1 1 69 69 ASN CB C 69 37.047 37.047 38.485 -1.438 18844 2185 1 6 . 1 1 69 69 ASN H H 69 8.966 8.966 8.246 0.720 18844 2186 1 6 . 1 1 70 70 THR N N 70 115.426 115.426 117.013 -1.587 18844 2187 1 6 . 1 1 70 70 THR HA H 70 3.949 3.949 4.122 -0.173 18844 2188 1 6 . 1 1 70 70 THR CA C 70 65.247 65.247 64.082 1.165 18844 2189 1 6 . 1 1 70 70 THR CB C 70 70.132 70.132 69.530 0.602 18844 2190 1 6 . 1 1 70 70 THR H H 70 7.712 7.712 7.696 0.016 18844 2191 1 6 . 1 1 71 71 LYS N N 71 124.603 124.603 125.734 -1.131 18844 2192 1 6 . 1 1 71 71 LYS HA H 71 5.179 5.179 4.866 0.313 18844 2193 1 6 . 1 1 71 71 LYS CA C 71 55.340 55.340 55.475 -0.135 18844 2194 1 6 . 1 1 71 71 LYS CB C 71 33.729 33.729 33.868 -0.139 18844 2195 1 6 . 1 1 71 71 LYS H H 71 8.284 8.284 8.268 0.016 18844 2196 1 6 . 1 1 72 72 ILE N N 72 123.505 123.505 123.554 -0.049 18844 2197 1 6 . 1 1 72 72 ILE HA H 72 4.511 4.511 4.385 0.126 18844 2198 1 6 . 1 1 72 72 ILE CA C 72 59.636 59.636 59.268 0.368 18844 2199 1 6 . 1 1 72 72 ILE CB C 72 40.827 40.827 39.703 1.123 18844 2200 1 6 . 1 1 72 72 ILE H H 72 9.142 9.142 8.469 0.673 18844 2201 1 6 . 1 1 73 73 MET N N 73 123.090 123.090 125.424 -2.334 18844 2202 1 6 . 1 1 73 73 MET HA H 73 5.122 5.122 5.180 -0.058 18844 2203 1 6 . 1 1 73 73 MET CA C 73 54.949 54.949 55.028 -0.079 18844 2204 1 6 . 1 1 73 73 MET CB C 73 35.143 35.143 35.343 -0.200 18844 2205 1 6 . 1 1 73 73 MET H H 73 8.556 8.556 8.859 -0.303 18844 2206 1 6 . 1 1 74 74 MET N N 74 124.481 124.481 121.201 3.280 18844 2207 1 6 . 1 1 74 74 MET HA H 74 5.288 5.288 4.937 0.351 18844 2208 1 6 . 1 1 74 74 MET CA C 74 54.862 54.862 55.029 -0.167 18844 2209 1 6 . 1 1 74 74 MET CB C 74 36.294 36.294 35.320 0.974 18844 2210 1 6 . 1 1 74 74 MET H H 74 8.924 8.924 8.778 0.146 18844 2211 1 6 . 1 1 75 75 MET N N 75 123.963 123.963 123.477 0.486 18844 2212 1 6 . 1 1 75 75 MET HA H 75 5.093 5.093 5.024 0.069 18844 2213 1 6 . 1 1 75 75 MET CA C 75 54.265 54.265 54.360 -0.095 18844 2214 1 6 . 1 1 75 75 MET CB C 75 35.566 35.566 33.944 1.622 18844 2215 1 6 . 1 1 75 75 MET H H 75 9.112 9.112 8.384 0.728 18844 2216 1 6 . 1 1 76 76 GLY N N 76 109.773 109.773 110.779 -1.006 18844 2217 1 6 . 1 1 76 76 GLY CA C 76 45.901 45.901 45.168 0.733 18844 2218 1 6 . 1 1 76 76 GLY H H 76 8.711 8.711 8.786 -0.075 18844 2219 1 6 . 1 1 77 77 THR N N 77 113.345 113.345 114.335 -0.990 18844 2220 1 6 . 1 1 77 77 THR HA H 77 4.787 4.787 4.638 0.149 18844 2221 1 6 . 1 1 77 77 THR CA C 77 60.728 60.728 60.485 0.243 18844 2222 1 6 . 1 1 77 77 THR CB C 77 71.481 71.481 70.646 0.835 18844 2223 1 6 . 1 1 77 77 THR H H 77 8.280 8.280 8.286 -0.006 18844 2224 1 6 . 1 1 78 78 ARG N N 78 122.844 122.844 124.542 -1.698 18844 2225 1 6 . 1 1 78 78 ARG HA H 78 4.148 4.148 4.296 -0.148 18844 2226 1 6 . 1 1 78 78 ARG CA C 78 56.881 56.881 56.355 0.526 18844 2227 1 6 . 1 1 78 78 ARG CB C 78 31.607 31.607 30.785 0.822 18844 2228 1 6 . 1 1 78 78 ARG H H 78 8.852 8.852 8.527 0.325 18844 2229 1 6 . 1 1 79 79 GLU N N 79 122.181 122.181 123.628 -1.447 18844 2230 1 6 . 1 1 79 79 GLU HA H 79 4.206 4.206 4.174 0.032 18844 2231 1 6 . 1 1 79 79 GLU CA C 79 57.007 57.007 57.394 -0.387 18844 2232 1 6 . 1 1 79 79 GLU CB C 79 30.764 30.764 30.008 0.756 18844 2233 1 6 . 1 1 79 79 GLU H H 79 8.300 8.300 8.629 -0.329 18844 2234 1 6 . 1 1 80 80 GLU N N 80 126.965 126.965 119.771 7.194 18844 2235 1 6 . 1 1 80 80 GLU HA H 80 4.049 4.049 4.528 -0.479 18844 2236 1 6 . 1 1 80 80 GLU CA C 80 58.328 58.328 56.426 1.902 18844 2237 1 6 . 1 1 80 80 GLU CB C 80 31.287 31.287 29.512 1.775 18844 2238 1 6 . 1 1 80 80 GLU H H 80 8.015 8.015 8.573 -0.558 18844 2239 1 7 . 1 1 2 2 ALA N N 2 126.014 126.014 123.586 2.428 18844 2240 1 7 . 1 1 2 2 ALA HA H 2 4.033 4.033 4.502 -0.469 18844 2241 1 7 . 1 1 2 2 ALA CA C 2 53.215 53.215 51.703 1.512 18844 2242 1 7 . 1 1 2 2 ALA CB C 2 19.376 19.376 19.678 -0.302 18844 2243 1 7 . 1 1 2 2 ALA H H 2 8.410 8.410 8.297 0.113 18844 2244 1 7 . 1 1 3 3 LEU N N 3 123.255 123.255 123.790 -0.535 18844 2245 1 7 . 1 1 3 3 LEU HA H 3 4.646 4.646 4.600 0.046 18844 2246 1 7 . 1 1 3 3 LEU CA C 3 51.817 51.817 52.257 -0.440 18844 2247 1 7 . 1 1 3 3 LEU CB C 3 43.557 43.557 43.194 0.363 18844 2248 1 7 . 1 1 3 3 LEU H H 3 8.271 8.271 8.460 -0.189 18844 2249 1 7 . 1 1 4 4 PRO HA H 4 4.606 4.606 4.544 0.062 18844 2250 1 7 . 1 1 4 4 PRO CA C 4 63.240 63.240 62.413 0.827 18844 2251 1 7 . 1 1 4 4 PRO CB C 4 32.070 32.070 32.722 -0.652 18844 2252 1 7 . 1 1 5 5 ILE N N 5 122.161 122.161 118.119 4.042 18844 2253 1 7 . 1 1 5 5 ILE HA H 5 4.359 4.359 4.843 -0.484 18844 2254 1 7 . 1 1 5 5 ILE CA C 5 60.833 60.833 60.466 0.367 18844 2255 1 7 . 1 1 5 5 ILE CB C 5 43.943 43.943 42.727 1.216 18844 2256 1 7 . 1 1 5 5 ILE H H 5 8.317 8.317 7.694 0.623 18844 2257 1 7 . 1 1 6 6 ILE N N 6 125.649 125.649 126.303 -0.654 18844 2258 1 7 . 1 1 6 6 ILE HA H 6 4.921 4.921 4.695 0.226 18844 2259 1 7 . 1 1 6 6 ILE CA C 6 59.865 59.865 60.932 -1.067 18844 2260 1 7 . 1 1 6 6 ILE CB C 6 40.264 40.264 40.383 -0.118 18844 2261 1 7 . 1 1 6 6 ILE H H 6 8.408 8.408 8.506 -0.098 18844 2262 1 7 . 1 1 7 7 VAL N N 7 125.741 125.741 126.981 -1.240 18844 2263 1 7 . 1 1 7 7 VAL HA H 7 4.930 4.930 4.632 0.298 18844 2264 1 7 . 1 1 7 7 VAL CA C 7 60.363 60.363 59.526 0.837 18844 2265 1 7 . 1 1 7 7 VAL CB C 7 34.759 34.759 35.032 -0.273 18844 2266 1 7 . 1 1 7 7 VAL H H 7 9.155 9.155 9.144 0.011 18844 2267 1 7 . 1 1 8 8 LYS N N 8 128.098 128.098 128.848 -0.750 18844 2268 1 7 . 1 1 8 8 LYS HA H 8 5.232 5.232 5.445 -0.213 18844 2269 1 7 . 1 1 8 8 LYS CA C 8 55.275 55.275 54.596 0.679 18844 2270 1 7 . 1 1 8 8 LYS CB C 8 34.935 34.935 34.285 0.650 18844 2271 1 7 . 1 1 8 8 LYS H H 8 9.174 9.174 8.850 0.324 18844 2272 1 7 . 1 1 9 9 TRP N N 9 125.952 125.952 128.148 -2.196 18844 2273 1 7 . 1 1 9 9 TRP HA H 9 5.185 5.185 4.913 0.272 18844 2274 1 7 . 1 1 9 9 TRP CA C 9 57.734 57.734 56.566 1.168 18844 2275 1 7 . 1 1 9 9 TRP CB C 9 31.561 31.561 31.288 0.273 18844 2276 1 7 . 1 1 9 9 TRP H H 9 8.844 8.844 8.496 0.348 18844 2277 1 7 . 1 1 10 10 GLY N N 10 117.044 117.044 116.430 0.614 18844 2278 1 7 . 1 1 10 10 GLY CA C 10 47.101 47.101 45.511 1.591 18844 2279 1 7 . 1 1 10 10 GLY H H 10 8.683 8.683 8.633 0.050 18844 2280 1 7 . 1 1 11 11 GLY N N 11 109.364 109.364 111.474 -2.110 18844 2281 1 7 . 1 1 11 11 GLY CA C 11 45.460 45.460 45.021 0.439 18844 2282 1 7 . 1 1 11 11 GLY H H 11 8.600 8.600 7.960 0.640 18844 2283 1 7 . 1 1 12 12 GLN N N 12 119.388 119.388 119.891 -0.503 18844 2284 1 7 . 1 1 12 12 GLN HA H 12 4.483 4.483 4.615 -0.132 18844 2285 1 7 . 1 1 12 12 GLN CA C 12 54.502 54.502 54.821 -0.319 18844 2286 1 7 . 1 1 12 12 GLN CB C 12 32.178 32.178 31.827 0.351 18844 2287 1 7 . 1 1 12 12 GLN H H 12 7.865 7.865 7.674 0.191 18844 2288 1 7 . 1 1 13 13 GLU N N 13 119.756 119.756 121.810 -2.054 18844 2289 1 7 . 1 1 13 13 GLU HA H 13 4.880 4.880 4.843 0.037 18844 2290 1 7 . 1 1 13 13 GLU CA C 13 55.655 55.655 55.425 0.230 18844 2291 1 7 . 1 1 13 13 GLU CB C 13 32.306 32.306 31.718 0.588 18844 2292 1 7 . 1 1 13 13 GLU H H 13 8.172 8.172 8.485 -0.313 18844 2293 1 7 . 1 1 14 14 TYR N N 14 122.812 122.812 122.708 0.104 18844 2294 1 7 . 1 1 14 14 TYR HA H 14 4.601 4.601 4.724 -0.123 18844 2295 1 7 . 1 1 14 14 TYR CA C 14 57.246 57.246 56.890 0.356 18844 2296 1 7 . 1 1 14 14 TYR CB C 14 40.544 40.544 40.985 -0.441 18844 2297 1 7 . 1 1 14 14 TYR H H 14 9.381 9.381 8.853 0.528 18844 2298 1 7 . 1 1 15 15 SER N N 15 118.339 118.339 120.405 -2.066 18844 2299 1 7 . 1 1 15 15 SER HA H 15 4.747 4.747 4.603 0.144 18844 2300 1 7 . 1 1 15 15 SER CA C 15 58.099 58.099 58.183 -0.084 18844 2301 1 7 . 1 1 15 15 SER CB C 15 63.394 63.394 63.712 -0.318 18844 2302 1 7 . 1 1 15 15 SER H H 15 8.802 8.802 8.673 0.129 18844 2303 1 7 . 1 1 16 16 VAL N N 16 128.611 128.611 124.157 4.454 18844 2304 1 7 . 1 1 16 16 VAL HA H 16 4.205 4.205 4.393 -0.188 18844 2305 1 7 . 1 1 16 16 VAL CA C 16 62.344 62.344 61.989 0.355 18844 2306 1 7 . 1 1 16 16 VAL CB C 16 32.528 32.528 32.754 -0.226 18844 2307 1 7 . 1 1 16 16 VAL H H 16 9.005 9.005 8.830 0.175 18844 2308 1 7 . 1 1 17 17 THR N N 17 116.170 116.170 118.363 -2.193 18844 2309 1 7 . 1 1 17 17 THR HA H 17 4.533 4.533 4.627 -0.094 18844 2310 1 7 . 1 1 17 17 THR CA C 17 62.331 62.331 61.743 0.588 18844 2311 1 7 . 1 1 17 17 THR CB C 17 70.040 70.040 69.477 0.563 18844 2312 1 7 . 1 1 17 17 THR H H 17 8.746 8.746 8.592 0.154 18844 2313 1 7 . 1 1 18 18 THR N N 18 107.517 107.517 115.946 -8.429 18844 2314 1 7 . 1 1 18 18 THR HA H 18 4.173 4.173 4.158 0.015 18844 2315 1 7 . 1 1 18 18 THR CA C 18 61.772 61.772 63.008 -1.236 18844 2316 1 7 . 1 1 18 18 THR CB C 18 69.121 69.121 68.980 0.141 18844 2317 1 7 . 1 1 18 18 THR H H 18 6.812 6.812 8.188 -1.376 18844 2318 1 7 . 1 1 19 19 LEU N N 19 123.019 123.019 123.134 -0.115 18844 2319 1 7 . 1 1 19 19 LEU HA H 19 4.583 4.583 4.298 0.285 18844 2320 1 7 . 1 1 19 19 LEU CA C 19 54.180 54.180 54.328 -0.148 18844 2321 1 7 . 1 1 19 19 LEU CB C 19 42.711 42.711 42.860 -0.149 18844 2322 1 7 . 1 1 19 19 LEU H H 19 8.388 8.388 7.764 0.624 18844 2323 1 7 . 1 1 20 20 SER N N 20 117.870 117.870 115.027 2.843 18844 2324 1 7 . 1 1 20 20 SER HA H 20 4.863 4.863 4.924 -0.061 18844 2325 1 7 . 1 1 20 20 SER CA C 20 56.832 56.832 56.713 0.119 18844 2326 1 7 . 1 1 20 20 SER CB C 20 67.845 67.845 66.342 1.503 18844 2327 1 7 . 1 1 20 20 SER H H 20 9.714 9.714 8.850 0.864 18844 2328 1 7 . 1 1 21 21 GLU N N 21 116.130 116.130 122.039 -5.909 18844 2329 1 7 . 1 1 21 21 GLU HA H 21 3.740 3.740 3.949 -0.209 18844 2330 1 7 . 1 1 21 21 GLU CA C 21 59.134 59.134 59.822 -0.688 18844 2331 1 7 . 1 1 21 21 GLU CB C 21 30.854 30.854 29.383 1.472 18844 2332 1 7 . 1 1 21 21 GLU H H 21 8.491 8.491 8.908 -0.417 18844 2333 1 7 . 1 1 22 22 ASP N N 22 115.741 115.741 117.507 -1.766 18844 2334 1 7 . 1 1 22 22 ASP HA H 22 4.650 4.650 4.513 0.137 18844 2335 1 7 . 1 1 22 22 ASP CA C 22 55.156 55.156 55.811 -0.655 18844 2336 1 7 . 1 1 22 22 ASP CB C 22 42.579 42.579 40.983 1.596 18844 2337 1 7 . 1 1 22 22 ASP H H 22 7.936 7.936 8.545 -0.609 18844 2338 1 7 . 1 1 23 23 ASP N N 23 119.945 119.945 117.693 2.252 18844 2339 1 7 . 1 1 23 23 ASP HA H 23 4.841 4.841 4.778 0.063 18844 2340 1 7 . 1 1 23 23 ASP CA C 23 55.223 55.223 53.922 1.300 18844 2341 1 7 . 1 1 23 23 ASP CB C 23 42.782 42.782 42.409 0.373 18844 2342 1 7 . 1 1 23 23 ASP H H 23 7.313 7.313 8.021 -0.708 18844 2343 1 7 . 1 1 24 24 THR N N 24 107.918 107.918 109.648 -1.730 18844 2344 1 7 . 1 1 24 24 THR HA H 24 5.328 5.328 4.778 0.550 18844 2345 1 7 . 1 1 24 24 THR CA C 24 60.989 60.989 60.306 0.683 18844 2346 1 7 . 1 1 24 24 THR CB C 24 74.287 74.287 72.415 1.872 18844 2347 1 7 . 1 1 24 24 THR H H 24 9.630 9.630 7.788 1.842 18844 2348 1 7 . 1 1 25 25 VAL N N 25 120.192 120.192 121.172 -0.980 18844 2349 1 7 . 1 1 25 25 VAL HA H 25 3.334 3.334 3.754 -0.420 18844 2350 1 7 . 1 1 25 25 VAL CA C 25 67.626 67.626 67.011 0.615 18844 2351 1 7 . 1 1 25 25 VAL CB C 25 32.149 32.149 31.323 0.826 18844 2352 1 7 . 1 1 25 25 VAL H H 25 8.260 8.260 8.620 -0.360 18844 2353 1 7 . 1 1 26 26 LEU N N 26 119.941 119.941 118.047 1.894 18844 2354 1 7 . 1 1 26 26 LEU HA H 26 3.872 3.872 4.031 -0.159 18844 2355 1 7 . 1 1 26 26 LEU CA C 26 58.592 58.592 58.163 0.429 18844 2356 1 7 . 1 1 26 26 LEU CB C 26 41.716 41.716 41.173 0.543 18844 2357 1 7 . 1 1 26 26 LEU H H 26 8.523 8.523 7.356 1.167 18844 2358 1 7 . 1 1 27 27 ASP N N 27 118.322 118.322 118.876 -0.554 18844 2359 1 7 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.415 -0.142 18844 2360 1 7 . 1 1 27 27 ASP CA C 27 58.663 58.663 56.990 1.673 18844 2361 1 7 . 1 1 27 27 ASP CB C 27 40.931 40.931 40.532 0.399 18844 2362 1 7 . 1 1 27 27 ASP H H 27 7.581 7.581 8.343 -0.762 18844 2363 1 7 . 1 1 28 28 LEU N N 28 122.021 122.021 120.556 1.465 18844 2364 1 7 . 1 1 28 28 LEU HA H 28 4.083 4.083 4.159 -0.076 18844 2365 1 7 . 1 1 28 28 LEU CA C 28 58.772 58.772 58.051 0.721 18844 2366 1 7 . 1 1 28 28 LEU CB C 28 41.225 41.225 42.327 -1.102 18844 2367 1 7 . 1 1 28 28 LEU H H 28 7.837 7.837 7.312 0.525 18844 2368 1 7 . 1 1 29 29 LYS N N 29 119.086 119.086 119.609 -0.523 18844 2369 1 7 . 1 1 29 29 LYS HA H 29 4.520 4.520 3.946 0.574 18844 2370 1 7 . 1 1 29 29 LYS CA C 29 59.787 59.787 60.628 -0.841 18844 2371 1 7 . 1 1 29 29 LYS CB C 29 34.297 34.297 32.170 2.127 18844 2372 1 7 . 1 1 29 29 LYS H H 29 8.467 8.467 8.591 -0.124 18844 2373 1 7 . 1 1 30 30 GLN N N 30 119.268 119.268 118.755 0.513 18844 2374 1 7 . 1 1 30 30 GLN HA H 30 3.932 3.932 4.040 -0.108 18844 2375 1 7 . 1 1 30 30 GLN CA C 30 59.663 59.663 58.566 1.097 18844 2376 1 7 . 1 1 30 30 GLN CB C 30 27.806 27.806 28.032 -0.226 18844 2377 1 7 . 1 1 30 30 GLN H H 30 9.049 9.049 7.970 1.079 18844 2378 1 7 . 1 1 31 31 PHE N N 31 121.690 121.690 120.255 1.435 18844 2379 1 7 . 1 1 31 31 PHE HA H 31 4.218 4.218 4.305 -0.087 18844 2380 1 7 . 1 1 31 31 PHE CA C 31 61.967 61.967 60.475 1.492 18844 2381 1 7 . 1 1 31 31 PHE CB C 31 39.374 39.374 39.630 -0.257 18844 2382 1 7 . 1 1 31 31 PHE H H 31 8.039 8.039 7.432 0.607 18844 2383 1 7 . 1 1 32 32 LEU N N 32 118.232 118.232 118.085 0.147 18844 2384 1 7 . 1 1 32 32 LEU HA H 32 3.637 3.637 3.906 -0.269 18844 2385 1 7 . 1 1 32 32 LEU CA C 32 57.708 57.708 58.165 -0.457 18844 2386 1 7 . 1 1 32 32 LEU CB C 32 41.270 41.270 41.279 -0.009 18844 2387 1 7 . 1 1 32 32 LEU H H 32 8.776 8.776 8.436 0.340 18844 2388 1 7 . 1 1 33 33 LYS N N 33 125.920 125.920 118.215 7.705 18844 2389 1 7 . 1 1 33 33 LYS HA H 33 3.802 3.802 3.818 -0.016 18844 2390 1 7 . 1 1 33 33 LYS CA C 33 60.116 60.116 59.071 1.045 18844 2391 1 7 . 1 1 33 33 LYS CB C 33 31.701 31.701 31.490 0.211 18844 2392 1 7 . 1 1 33 33 LYS H H 33 8.237 8.237 8.439 -0.202 18844 2393 1 7 . 1 1 34 34 THR N N 34 114.544 114.544 112.328 2.216 18844 2394 1 7 . 1 1 34 34 THR HA H 34 3.773 3.773 4.105 -0.332 18844 2395 1 7 . 1 1 34 34 THR CA C 34 65.749 65.749 63.730 2.019 18844 2396 1 7 . 1 1 34 34 THR CB C 34 68.620 68.620 68.587 0.033 18844 2397 1 7 . 1 1 34 34 THR H H 34 7.281 7.281 7.089 0.192 18844 2398 1 7 . 1 1 35 35 LEU N N 35 117.590 117.590 120.733 -3.143 18844 2399 1 7 . 1 1 35 35 LEU HA H 35 4.018 4.018 4.093 -0.075 18844 2400 1 7 . 1 1 35 35 LEU CA C 35 57.015 57.015 57.133 -0.118 18844 2401 1 7 . 1 1 35 35 LEU CB C 35 44.003 44.003 42.452 1.552 18844 2402 1 7 . 1 1 35 35 LEU H H 35 6.752 6.752 7.573 -0.821 18844 2403 1 7 . 1 1 36 36 THR N N 36 104.865 104.865 109.721 -4.856 18844 2404 1 7 . 1 1 36 36 THR HA H 36 3.967 3.967 4.312 -0.345 18844 2405 1 7 . 1 1 36 36 THR CA C 36 62.756 62.756 61.496 1.260 18844 2406 1 7 . 1 1 36 36 THR CB C 36 72.343 72.343 69.747 2.596 18844 2407 1 7 . 1 1 36 36 THR H H 36 7.675 7.675 7.464 0.211 18844 2408 1 7 . 1 1 37 37 GLY N N 37 109.795 109.795 111.129 -1.334 18844 2409 1 7 . 1 1 37 37 GLY CA C 37 45.559 45.559 44.647 0.912 18844 2410 1 7 . 1 1 37 37 GLY H H 37 7.971 7.971 7.395 0.576 18844 2411 1 7 . 1 1 38 38 VAL N N 38 122.557 122.557 118.901 3.656 18844 2412 1 7 . 1 1 38 38 VAL HA H 38 3.638 3.638 4.027 -0.389 18844 2413 1 7 . 1 1 38 38 VAL CA C 38 62.437 62.437 60.333 2.104 18844 2414 1 7 . 1 1 38 38 VAL CB C 38 31.390 31.390 33.553 -2.163 18844 2415 1 7 . 1 1 38 38 VAL H H 38 7.533 7.533 7.480 0.053 18844 2416 1 7 . 1 1 39 39 LEU N N 39 127.828 127.828 122.714 5.114 18844 2417 1 7 . 1 1 39 39 LEU HA H 39 3.994 3.994 4.392 -0.398 18844 2418 1 7 . 1 1 39 39 LEU CA C 39 54.437 54.437 53.334 1.103 18844 2419 1 7 . 1 1 39 39 LEU CB C 39 40.557 40.557 40.083 0.474 18844 2420 1 7 . 1 1 39 39 LEU H H 39 8.634 8.634 8.322 0.312 18844 2421 1 7 . 1 1 40 40 PRO HA H 40 3.839 3.839 4.576 -0.737 18844 2422 1 7 . 1 1 40 40 PRO CA C 40 66.989 66.989 64.723 2.266 18844 2423 1 7 . 1 1 40 40 PRO CB C 40 32.322 32.322 31.983 0.339 18844 2424 1 7 . 1 1 41 41 GLU N N 41 114.752 114.752 117.971 -3.219 18844 2425 1 7 . 1 1 41 41 GLU HA H 41 4.071 4.071 4.079 -0.008 18844 2426 1 7 . 1 1 41 41 GLU CA C 41 58.938 58.938 58.553 0.385 18844 2427 1 7 . 1 1 41 41 GLU CB C 41 28.824 28.824 29.453 -0.630 18844 2428 1 7 . 1 1 41 41 GLU H H 41 9.746 9.746 8.669 1.077 18844 2429 1 7 . 1 1 42 42 ARG N N 42 118.145 118.145 115.842 2.303 18844 2430 1 7 . 1 1 42 42 ARG HA H 42 4.315 4.315 4.418 -0.103 18844 2431 1 7 . 1 1 42 42 ARG CA C 42 55.448 55.448 56.950 -1.502 18844 2432 1 7 . 1 1 42 42 ARG CB C 42 31.105 31.105 31.931 -0.826 18844 2433 1 7 . 1 1 42 42 ARG H H 42 7.938 7.938 7.549 0.389 18844 2434 1 7 . 1 1 43 43 GLN N N 43 118.250 118.250 118.200 0.050 18844 2435 1 7 . 1 1 43 43 GLN HA H 43 4.251 4.251 4.778 -0.527 18844 2436 1 7 . 1 1 43 43 GLN CA C 43 56.537 56.537 54.667 1.869 18844 2437 1 7 . 1 1 43 43 GLN CB C 43 30.992 30.992 30.930 0.062 18844 2438 1 7 . 1 1 43 43 GLN H H 43 7.034 7.034 7.750 -0.716 18844 2439 1 7 . 1 1 44 44 LYS N N 44 122.693 122.693 119.824 2.869 18844 2440 1 7 . 1 1 44 44 LYS HA H 44 4.464 4.464 4.740 -0.276 18844 2441 1 7 . 1 1 44 44 LYS CA C 44 55.552 55.552 54.537 1.015 18844 2442 1 7 . 1 1 44 44 LYS CB C 44 34.325 34.325 34.921 -0.596 18844 2443 1 7 . 1 1 44 44 LYS H H 44 8.806 8.806 8.972 -0.166 18844 2444 1 7 . 1 1 45 45 LEU N N 45 124.806 124.806 124.170 0.636 18844 2445 1 7 . 1 1 45 45 LEU HA H 45 4.943 4.943 4.290 0.653 18844 2446 1 7 . 1 1 45 45 LEU CA C 45 53.542 53.542 55.223 -1.681 18844 2447 1 7 . 1 1 45 45 LEU CB C 45 41.821 41.821 40.904 0.917 18844 2448 1 7 . 1 1 45 45 LEU H H 45 8.704 8.704 8.672 0.032 18844 2449 1 7 . 1 1 46 46 LEU N N 46 124.709 124.709 126.761 -2.052 18844 2450 1 7 . 1 1 46 46 LEU HA H 46 4.358 4.358 4.350 0.008 18844 2451 1 7 . 1 1 46 46 LEU CA C 46 55.759 55.759 57.473 -1.714 18844 2452 1 7 . 1 1 46 46 LEU CB C 46 42.526 42.526 42.419 0.107 18844 2453 1 7 . 1 1 46 46 LEU H H 46 8.751 8.751 7.887 0.864 18844 2454 1 7 . 1 1 47 47 GLY N N 47 109.276 109.276 107.177 2.099 18844 2455 1 7 . 1 1 47 47 GLY CA C 47 45.560 45.560 44.834 0.726 18844 2456 1 7 . 1 1 47 47 GLY H H 47 8.300 8.300 8.370 -0.070 18844 2457 1 7 . 1 1 48 48 LEU N N 48 119.707 119.707 117.259 2.448 18844 2458 1 7 . 1 1 48 48 LEU HA H 48 4.590 4.590 4.184 0.406 18844 2459 1 7 . 1 1 48 48 LEU CA C 48 53.945 53.945 56.535 -2.590 18844 2460 1 7 . 1 1 48 48 LEU CB C 48 41.414 41.414 42.110 -0.696 18844 2461 1 7 . 1 1 48 48 LEU H H 48 7.581 7.581 7.395 0.186 18844 2462 1 7 . 1 1 49 49 LYS N N 49 124.527 124.527 117.557 6.970 18844 2463 1 7 . 1 1 49 49 LYS HA H 49 4.852 4.852 4.558 0.294 18844 2464 1 7 . 1 1 49 49 LYS CA C 49 55.663 55.663 54.917 0.746 18844 2465 1 7 . 1 1 49 49 LYS CB C 49 37.581 37.581 34.351 3.230 18844 2466 1 7 . 1 1 49 49 LYS H H 49 8.606 8.606 7.312 1.294 18844 2467 1 7 . 1 1 50 50 VAL N N 50 119.184 119.184 121.931 -2.747 18844 2468 1 7 . 1 1 50 50 VAL HA H 50 4.113 4.113 4.294 -0.181 18844 2469 1 7 . 1 1 50 50 VAL CA C 50 61.865 61.865 60.068 1.797 18844 2470 1 7 . 1 1 50 50 VAL CB C 50 34.734 34.734 35.188 -0.454 18844 2471 1 7 . 1 1 50 50 VAL H H 50 8.799 8.799 8.632 0.167 18844 2472 1 7 . 1 1 51 51 LYS N N 51 127.069 127.069 127.002 0.067 18844 2473 1 7 . 1 1 51 51 LYS HA H 51 3.824 3.824 3.965 -0.141 18844 2474 1 7 . 1 1 51 51 LYS CA C 51 57.407 57.407 57.037 0.370 18844 2475 1 7 . 1 1 51 51 LYS CB C 51 30.655 30.655 30.923 -0.268 18844 2476 1 7 . 1 1 51 51 LYS H H 51 9.451 9.451 9.091 0.360 18844 2477 1 7 . 1 1 52 52 GLY N N 52 102.671 102.671 104.805 -2.134 18844 2478 1 7 . 1 1 52 52 GLY CA C 52 45.810 45.810 44.992 0.818 18844 2479 1 7 . 1 1 52 52 GLY H H 52 8.512 8.512 8.208 0.304 18844 2480 1 7 . 1 1 53 53 LYS N N 53 121.307 121.307 121.705 -0.398 18844 2481 1 7 . 1 1 53 53 LYS HA H 53 4.829 4.829 4.667 0.162 18844 2482 1 7 . 1 1 53 53 LYS CA C 53 53.616 53.616 53.292 0.324 18844 2483 1 7 . 1 1 53 53 LYS CB C 53 33.940 33.940 32.215 1.725 18844 2484 1 7 . 1 1 53 53 LYS H H 53 7.781 7.781 7.887 -0.106 18844 2485 1 7 . 1 1 54 54 PRO HA H 54 4.376 4.376 4.297 0.079 18844 2486 1 7 . 1 1 54 54 PRO CA C 54 63.817 63.817 64.204 -0.387 18844 2487 1 7 . 1 1 54 54 PRO CB C 54 32.151 32.151 31.907 0.244 18844 2488 1 7 . 1 1 55 55 ALA N N 55 125.654 125.654 118.601 7.053 18844 2489 1 7 . 1 1 55 55 ALA HA H 55 4.138 4.138 3.934 0.204 18844 2490 1 7 . 1 1 55 55 ALA CA C 55 52.664 52.664 52.939 -0.275 18844 2491 1 7 . 1 1 55 55 ALA CB C 55 20.044 20.044 17.912 2.132 18844 2492 1 7 . 1 1 55 55 ALA H H 55 8.114 8.114 8.107 0.007 18844 2493 1 7 . 1 1 56 56 GLU N N 56 122.313 122.313 118.056 4.257 18844 2494 1 7 . 1 1 56 56 GLU HA H 56 4.215 4.215 4.035 0.180 18844 2495 1 7 . 1 1 56 56 GLU CA C 56 56.089 56.089 59.186 -3.097 18844 2496 1 7 . 1 1 56 56 GLU CB C 56 31.086 31.086 30.168 0.918 18844 2497 1 7 . 1 1 56 56 GLU H H 56 8.179 8.179 8.605 -0.426 18844 2498 1 7 . 1 1 57 57 ASN N N 57 115.140 115.140 109.260 5.880 18844 2499 1 7 . 1 1 57 57 ASN HA H 57 4.229 4.229 4.705 -0.476 18844 2500 1 7 . 1 1 57 57 ASN CA C 57 55.199 55.199 53.890 1.309 18844 2501 1 7 . 1 1 57 57 ASN CB C 57 39.227 39.227 39.033 0.194 18844 2502 1 7 . 1 1 57 57 ASN H H 57 8.504 8.504 7.935 0.569 18844 2503 1 7 . 1 1 58 58 ASP N N 58 112.832 112.832 120.489 -7.657 18844 2504 1 7 . 1 1 58 58 ASP HA H 58 4.488 4.488 4.595 -0.107 18844 2505 1 7 . 1 1 58 58 ASP CA C 58 53.608 53.608 55.437 -1.829 18844 2506 1 7 . 1 1 58 58 ASP CB C 58 40.304 40.304 40.961 -0.657 18844 2507 1 7 . 1 1 58 58 ASP H H 58 8.198 8.198 8.612 -0.414 18844 2508 1 7 . 1 1 59 59 VAL N N 59 122.073 122.073 119.429 2.644 18844 2509 1 7 . 1 1 59 59 VAL HA H 59 3.593 3.593 4.140 -0.547 18844 2510 1 7 . 1 1 59 59 VAL CA C 59 63.840 63.840 61.179 2.661 18844 2511 1 7 . 1 1 59 59 VAL CB C 59 32.322 32.322 32.770 -0.448 18844 2512 1 7 . 1 1 59 59 VAL H H 59 7.353 7.353 7.524 -0.171 18844 2513 1 7 . 1 1 60 60 LYS N N 60 125.064 125.064 123.785 1.279 18844 2514 1 7 . 1 1 60 60 LYS HA H 60 4.447 4.447 4.540 -0.093 18844 2515 1 7 . 1 1 60 60 LYS CA C 60 56.185 56.185 55.520 0.665 18844 2516 1 7 . 1 1 60 60 LYS CB C 60 33.105 33.105 33.516 -0.411 18844 2517 1 7 . 1 1 60 60 LYS H H 60 8.339 8.339 8.348 -0.009 18844 2518 1 7 . 1 1 61 61 LEU N N 61 121.612 121.612 122.698 -1.086 18844 2519 1 7 . 1 1 61 61 LEU HA H 61 3.776 3.776 3.998 -0.222 18844 2520 1 7 . 1 1 61 61 LEU CA C 61 57.987 57.987 57.896 0.091 18844 2521 1 7 . 1 1 61 61 LEU CB C 61 40.832 40.832 41.721 -0.889 18844 2522 1 7 . 1 1 61 61 LEU H H 61 9.423 9.423 8.887 0.536 18844 2523 1 7 . 1 1 62 62 GLY N N 62 104.008 104.008 103.466 0.542 18844 2524 1 7 . 1 1 62 62 GLY CA C 62 46.772 46.772 45.706 1.066 18844 2525 1 7 . 1 1 62 62 GLY H H 62 9.107 9.107 7.906 1.201 18844 2526 1 7 . 1 1 63 63 ALA N N 63 122.025 122.025 122.475 -0.450 18844 2527 1 7 . 1 1 63 63 ALA HA H 63 4.273 4.273 4.432 -0.159 18844 2528 1 7 . 1 1 63 63 ALA CA C 63 53.421 53.421 53.227 0.194 18844 2529 1 7 . 1 1 63 63 ALA CB C 63 18.816 18.816 18.994 -0.178 18844 2530 1 7 . 1 1 63 63 ALA H H 63 7.755 7.755 7.630 0.125 18844 2531 1 7 . 1 1 64 64 LEU N N 64 115.454 115.454 115.476 -0.022 18844 2532 1 7 . 1 1 64 64 LEU HA H 64 4.068 4.068 4.263 -0.195 18844 2533 1 7 . 1 1 64 64 LEU CA C 64 55.567 55.567 54.988 0.579 18844 2534 1 7 . 1 1 64 64 LEU CB C 64 42.136 42.136 42.276 -0.140 18844 2535 1 7 . 1 1 64 64 LEU H H 64 7.214 7.214 7.296 -0.082 18844 2536 1 7 . 1 1 65 65 LYS N N 65 114.830 114.830 114.769 0.061 18844 2537 1 7 . 1 1 65 65 LYS HA H 65 3.838 3.838 3.884 -0.046 18844 2538 1 7 . 1 1 65 65 LYS CA C 65 56.737 56.737 56.667 0.070 18844 2539 1 7 . 1 1 65 65 LYS CB C 65 29.307 29.307 29.284 0.023 18844 2540 1 7 . 1 1 65 65 LYS H H 65 7.642 7.642 7.686 -0.044 18844 2541 1 7 . 1 1 66 66 LEU N N 66 119.305 119.305 119.583 -0.278 18844 2542 1 7 . 1 1 66 66 LEU HA H 66 4.163 4.163 4.342 -0.179 18844 2543 1 7 . 1 1 66 66 LEU CA C 66 54.847 54.847 54.348 0.499 18844 2544 1 7 . 1 1 66 66 LEU CB C 66 42.712 42.712 43.283 -0.571 18844 2545 1 7 . 1 1 66 66 LEU H H 66 8.516 8.516 7.780 0.736 18844 2546 1 7 . 1 1 67 67 LYS N N 67 121.480 121.480 122.631 -1.151 18844 2547 1 7 . 1 1 67 67 LYS HA H 67 4.497 4.497 4.413 0.084 18844 2548 1 7 . 1 1 67 67 LYS CA C 67 54.152 54.152 55.601 -1.449 18844 2549 1 7 . 1 1 67 67 LYS CB C 67 31.999 31.999 32.273 -0.274 18844 2550 1 7 . 1 1 67 67 LYS H H 67 7.955 7.955 8.147 -0.192 18844 2551 1 7 . 1 1 68 68 PRO HA H 68 4.169 4.169 4.707 -0.538 18844 2552 1 7 . 1 1 68 68 PRO CA C 68 64.389 64.389 65.151 -0.762 18844 2553 1 7 . 1 1 68 68 PRO CB C 68 32.214 32.214 32.311 -0.097 18844 2554 1 7 . 1 1 69 69 ASN N N 69 115.414 115.414 116.212 -0.798 18844 2555 1 7 . 1 1 69 69 ASN HA H 69 3.962 3.962 4.624 -0.662 18844 2556 1 7 . 1 1 69 69 ASN CA C 69 55.021 55.021 53.624 1.397 18844 2557 1 7 . 1 1 69 69 ASN CB C 69 37.047 37.047 38.086 -1.039 18844 2558 1 7 . 1 1 69 69 ASN H H 69 8.966 8.966 8.165 0.801 18844 2559 1 7 . 1 1 70 70 THR N N 70 115.426 115.426 117.222 -1.796 18844 2560 1 7 . 1 1 70 70 THR HA H 70 3.949 3.949 4.102 -0.153 18844 2561 1 7 . 1 1 70 70 THR CA C 70 65.247 65.247 64.268 0.979 18844 2562 1 7 . 1 1 70 70 THR CB C 70 70.132 70.132 69.420 0.712 18844 2563 1 7 . 1 1 70 70 THR H H 70 7.712 7.712 7.757 -0.045 18844 2564 1 7 . 1 1 71 71 LYS N N 71 124.603 124.603 125.312 -0.709 18844 2565 1 7 . 1 1 71 71 LYS HA H 71 5.179 5.179 5.005 0.174 18844 2566 1 7 . 1 1 71 71 LYS CA C 71 55.340 55.340 55.435 -0.095 18844 2567 1 7 . 1 1 71 71 LYS CB C 71 33.729 33.729 33.983 -0.254 18844 2568 1 7 . 1 1 71 71 LYS H H 71 8.284 8.284 8.283 0.001 18844 2569 1 7 . 1 1 72 72 ILE N N 72 123.505 123.505 123.535 -0.030 18844 2570 1 7 . 1 1 72 72 ILE HA H 72 4.511 4.511 4.379 0.132 18844 2571 1 7 . 1 1 72 72 ILE CA C 72 59.636 59.636 59.231 0.405 18844 2572 1 7 . 1 1 72 72 ILE CB C 72 40.827 40.827 39.566 1.261 18844 2573 1 7 . 1 1 72 72 ILE H H 72 9.142 9.142 8.446 0.696 18844 2574 1 7 . 1 1 73 73 MET N N 73 123.090 123.090 125.552 -2.462 18844 2575 1 7 . 1 1 73 73 MET HA H 73 5.122 5.122 4.957 0.165 18844 2576 1 7 . 1 1 73 73 MET CA C 73 54.949 54.949 55.240 -0.291 18844 2577 1 7 . 1 1 73 73 MET CB C 73 35.143 35.143 35.206 -0.063 18844 2578 1 7 . 1 1 73 73 MET H H 73 8.556 8.556 8.892 -0.336 18844 2579 1 7 . 1 1 74 74 MET N N 74 124.481 124.481 121.249 3.232 18844 2580 1 7 . 1 1 74 74 MET HA H 74 5.288 5.288 4.937 0.351 18844 2581 1 7 . 1 1 74 74 MET CA C 74 54.862 54.862 55.057 -0.195 18844 2582 1 7 . 1 1 74 74 MET CB C 74 36.294 36.294 35.117 1.177 18844 2583 1 7 . 1 1 74 74 MET H H 74 8.924 8.924 8.772 0.152 18844 2584 1 7 . 1 1 75 75 MET N N 75 123.963 123.963 123.193 0.770 18844 2585 1 7 . 1 1 75 75 MET HA H 75 5.093 5.093 5.017 0.076 18844 2586 1 7 . 1 1 75 75 MET CA C 75 54.265 54.265 54.358 -0.093 18844 2587 1 7 . 1 1 75 75 MET CB C 75 35.566 35.566 34.166 1.400 18844 2588 1 7 . 1 1 75 75 MET H H 75 9.112 9.112 8.356 0.756 18844 2589 1 7 . 1 1 76 76 GLY N N 76 109.773 109.773 110.474 -0.701 18844 2590 1 7 . 1 1 76 76 GLY CA C 76 45.901 45.901 45.097 0.804 18844 2591 1 7 . 1 1 76 76 GLY H H 76 8.711 8.711 8.757 -0.046 18844 2592 1 7 . 1 1 77 77 THR N N 77 113.345 113.345 115.746 -2.401 18844 2593 1 7 . 1 1 77 77 THR HA H 77 4.787 4.787 4.738 0.049 18844 2594 1 7 . 1 1 77 77 THR CA C 77 60.728 60.728 59.597 1.131 18844 2595 1 7 . 1 1 77 77 THR CB C 77 71.481 71.481 69.788 1.693 18844 2596 1 7 . 1 1 77 77 THR H H 77 8.280 8.280 8.285 -0.005 18844 2597 1 7 . 1 1 78 78 ARG N N 78 122.844 122.844 126.405 -3.561 18844 2598 1 7 . 1 1 78 78 ARG HA H 78 4.148 4.148 4.415 -0.267 18844 2599 1 7 . 1 1 78 78 ARG CA C 78 56.881 56.881 55.248 1.633 18844 2600 1 7 . 1 1 78 78 ARG CB C 78 31.607 31.607 31.338 0.269 18844 2601 1 7 . 1 1 78 78 ARG H H 78 8.852 8.852 8.538 0.314 18844 2602 1 7 . 1 1 79 79 GLU N N 79 122.181 122.181 122.510 -0.329 18844 2603 1 7 . 1 1 79 79 GLU HA H 79 4.206 4.206 4.321 -0.115 18844 2604 1 7 . 1 1 79 79 GLU CA C 79 57.007 57.007 56.362 0.645 18844 2605 1 7 . 1 1 79 79 GLU CB C 79 30.764 30.764 28.088 2.676 18844 2606 1 7 . 1 1 79 79 GLU H H 79 8.300 8.300 8.490 -0.190 18844 2607 1 7 . 1 1 80 80 GLU N N 80 126.965 126.965 123.876 3.089 18844 2608 1 7 . 1 1 80 80 GLU HA H 80 4.049 4.049 4.342 -0.293 18844 2609 1 7 . 1 1 80 80 GLU CA C 80 58.328 58.328 56.913 1.415 18844 2610 1 7 . 1 1 80 80 GLU CB C 80 31.287 31.287 30.343 0.944 18844 2611 1 7 . 1 1 80 80 GLU H H 80 8.015 8.015 8.254 -0.238 18844 2612 1 8 . 1 1 2 2 ALA N N 2 126.014 126.014 123.996 2.018 18844 2613 1 8 . 1 1 2 2 ALA HA H 2 4.033 4.033 4.526 -0.493 18844 2614 1 8 . 1 1 2 2 ALA CA C 2 53.215 53.215 51.633 1.582 18844 2615 1 8 . 1 1 2 2 ALA CB C 2 19.376 19.376 19.643 -0.267 18844 2616 1 8 . 1 1 2 2 ALA H H 2 8.410 8.410 8.372 0.038 18844 2617 1 8 . 1 1 3 3 LEU N N 3 123.255 123.255 124.050 -0.795 18844 2618 1 8 . 1 1 3 3 LEU HA H 3 4.646 4.646 4.618 0.028 18844 2619 1 8 . 1 1 3 3 LEU CA C 3 51.817 51.817 52.131 -0.314 18844 2620 1 8 . 1 1 3 3 LEU CB C 3 43.557 43.557 43.323 0.234 18844 2621 1 8 . 1 1 3 3 LEU H H 3 8.271 8.271 8.503 -0.232 18844 2622 1 8 . 1 1 4 4 PRO HA H 4 4.606 4.606 4.672 -0.066 18844 2623 1 8 . 1 1 4 4 PRO CA C 4 63.240 63.240 62.341 0.899 18844 2624 1 8 . 1 1 4 4 PRO CB C 4 32.070 32.070 32.815 -0.745 18844 2625 1 8 . 1 1 5 5 ILE N N 5 122.161 122.161 118.147 4.014 18844 2626 1 8 . 1 1 5 5 ILE HA H 5 4.359 4.359 4.849 -0.490 18844 2627 1 8 . 1 1 5 5 ILE CA C 5 60.833 60.833 60.520 0.313 18844 2628 1 8 . 1 1 5 5 ILE CB C 5 43.943 43.943 42.742 1.201 18844 2629 1 8 . 1 1 5 5 ILE H H 5 8.317 8.317 7.723 0.594 18844 2630 1 8 . 1 1 6 6 ILE N N 6 125.649 125.649 125.769 -0.120 18844 2631 1 8 . 1 1 6 6 ILE HA H 6 4.921 4.921 4.804 0.117 18844 2632 1 8 . 1 1 6 6 ILE CA C 6 59.865 59.865 60.581 -0.716 18844 2633 1 8 . 1 1 6 6 ILE CB C 6 40.264 40.264 40.291 -0.028 18844 2634 1 8 . 1 1 6 6 ILE H H 6 8.408 8.408 8.558 -0.150 18844 2635 1 8 . 1 1 7 7 VAL N N 7 125.741 125.741 126.144 -0.403 18844 2636 1 8 . 1 1 7 7 VAL HA H 7 4.930 4.930 4.736 0.194 18844 2637 1 8 . 1 1 7 7 VAL CA C 7 60.363 60.363 60.174 0.189 18844 2638 1 8 . 1 1 7 7 VAL CB C 7 34.759 34.759 34.414 0.345 18844 2639 1 8 . 1 1 7 7 VAL H H 7 9.155 9.155 9.161 -0.006 18844 2640 1 8 . 1 1 8 8 LYS N N 8 128.098 128.098 128.425 -0.327 18844 2641 1 8 . 1 1 8 8 LYS HA H 8 5.232 5.232 5.179 0.053 18844 2642 1 8 . 1 1 8 8 LYS CA C 8 55.275 55.275 54.789 0.485 18844 2643 1 8 . 1 1 8 8 LYS CB C 8 34.935 34.935 33.684 1.251 18844 2644 1 8 . 1 1 8 8 LYS H H 8 9.174 9.174 8.704 0.470 18844 2645 1 8 . 1 1 9 9 TRP N N 9 125.952 125.952 128.621 -2.669 18844 2646 1 8 . 1 1 9 9 TRP HA H 9 5.185 5.185 4.872 0.313 18844 2647 1 8 . 1 1 9 9 TRP CA C 9 57.734 57.734 56.733 1.001 18844 2648 1 8 . 1 1 9 9 TRP CB C 9 31.561 31.561 30.810 0.751 18844 2649 1 8 . 1 1 9 9 TRP H H 9 8.844 8.844 8.450 0.394 18844 2650 1 8 . 1 1 10 10 GLY N N 10 117.044 117.044 116.233 0.811 18844 2651 1 8 . 1 1 10 10 GLY CA C 10 47.101 47.101 45.253 1.848 18844 2652 1 8 . 1 1 10 10 GLY H H 10 8.683 8.683 8.526 0.157 18844 2653 1 8 . 1 1 11 11 GLY N N 11 109.364 109.364 110.111 -0.747 18844 2654 1 8 . 1 1 11 11 GLY CA C 11 45.460 45.460 45.427 0.033 18844 2655 1 8 . 1 1 11 11 GLY H H 11 8.600 8.600 8.142 0.458 18844 2656 1 8 . 1 1 12 12 GLN N N 12 119.388 119.388 118.777 0.611 18844 2657 1 8 . 1 1 12 12 GLN HA H 12 4.483 4.483 4.630 -0.147 18844 2658 1 8 . 1 1 12 12 GLN CA C 12 54.502 54.502 54.475 0.027 18844 2659 1 8 . 1 1 12 12 GLN CB C 12 32.178 32.178 31.976 0.202 18844 2660 1 8 . 1 1 12 12 GLN H H 12 7.865 7.865 7.837 0.028 18844 2661 1 8 . 1 1 13 13 GLU N N 13 119.756 119.756 118.569 1.187 18844 2662 1 8 . 1 1 13 13 GLU HA H 13 4.880 4.880 4.870 0.010 18844 2663 1 8 . 1 1 13 13 GLU CA C 13 55.655 55.655 55.317 0.338 18844 2664 1 8 . 1 1 13 13 GLU CB C 13 32.306 32.306 32.674 -0.368 18844 2665 1 8 . 1 1 13 13 GLU H H 13 8.172 8.172 8.381 -0.209 18844 2666 1 8 . 1 1 14 14 TYR N N 14 122.812 122.812 121.586 1.226 18844 2667 1 8 . 1 1 14 14 TYR HA H 14 4.601 4.601 4.805 -0.204 18844 2668 1 8 . 1 1 14 14 TYR CA C 14 57.246 57.246 56.896 0.350 18844 2669 1 8 . 1 1 14 14 TYR CB C 14 40.544 40.544 41.492 -0.948 18844 2670 1 8 . 1 1 14 14 TYR H H 14 9.381 9.381 8.783 0.598 18844 2671 1 8 . 1 1 15 15 SER N N 15 118.339 118.339 119.032 -0.693 18844 2672 1 8 . 1 1 15 15 SER HA H 15 4.747 4.747 4.724 0.023 18844 2673 1 8 . 1 1 15 15 SER CA C 15 58.099 58.099 58.164 -0.065 18844 2674 1 8 . 1 1 15 15 SER CB C 15 63.394 63.394 63.838 -0.444 18844 2675 1 8 . 1 1 15 15 SER H H 15 8.802 8.802 8.697 0.105 18844 2676 1 8 . 1 1 16 16 VAL N N 16 128.611 128.611 126.304 2.307 18844 2677 1 8 . 1 1 16 16 VAL HA H 16 4.205 4.205 4.359 -0.154 18844 2678 1 8 . 1 1 16 16 VAL CA C 16 62.344 62.344 62.460 -0.116 18844 2679 1 8 . 1 1 16 16 VAL CB C 16 32.528 32.528 32.773 -0.245 18844 2680 1 8 . 1 1 16 16 VAL H H 16 9.005 9.005 8.863 0.142 18844 2681 1 8 . 1 1 17 17 THR N N 17 116.170 116.170 119.037 -2.867 18844 2682 1 8 . 1 1 17 17 THR HA H 17 4.533 4.533 4.706 -0.173 18844 2683 1 8 . 1 1 17 17 THR CA C 17 62.331 62.331 61.403 0.929 18844 2684 1 8 . 1 1 17 17 THR CB C 17 70.040 70.040 68.771 1.269 18844 2685 1 8 . 1 1 17 17 THR H H 17 8.746 8.746 8.664 0.082 18844 2686 1 8 . 1 1 18 18 THR N N 18 107.517 107.517 116.369 -8.852 18844 2687 1 8 . 1 1 18 18 THR HA H 18 4.173 4.173 4.159 0.014 18844 2688 1 8 . 1 1 18 18 THR CA C 18 61.772 61.772 62.807 -1.035 18844 2689 1 8 . 1 1 18 18 THR CB C 18 69.121 69.121 68.818 0.303 18844 2690 1 8 . 1 1 18 18 THR H H 18 6.812 6.812 8.331 -1.519 18844 2691 1 8 . 1 1 19 19 LEU N N 19 123.019 123.019 123.326 -0.307 18844 2692 1 8 . 1 1 19 19 LEU HA H 19 4.583 4.583 4.303 0.280 18844 2693 1 8 . 1 1 19 19 LEU CA C 19 54.180 54.180 54.481 -0.301 18844 2694 1 8 . 1 1 19 19 LEU CB C 19 42.711 42.711 42.665 0.046 18844 2695 1 8 . 1 1 19 19 LEU H H 19 8.388 8.388 7.785 0.603 18844 2696 1 8 . 1 1 20 20 SER N N 20 117.870 117.870 115.235 2.635 18844 2697 1 8 . 1 1 20 20 SER HA H 20 4.863 4.863 4.929 -0.066 18844 2698 1 8 . 1 1 20 20 SER CA C 20 56.832 56.832 56.803 0.029 18844 2699 1 8 . 1 1 20 20 SER CB C 20 67.845 67.845 66.516 1.329 18844 2700 1 8 . 1 1 20 20 SER H H 20 9.714 9.714 8.818 0.896 18844 2701 1 8 . 1 1 21 21 GLU N N 21 116.130 116.130 121.663 -5.533 18844 2702 1 8 . 1 1 21 21 GLU HA H 21 3.740 3.740 3.960 -0.220 18844 2703 1 8 . 1 1 21 21 GLU CA C 21 59.134 59.134 59.728 -0.594 18844 2704 1 8 . 1 1 21 21 GLU CB C 21 30.854 30.854 29.285 1.569 18844 2705 1 8 . 1 1 21 21 GLU H H 21 8.491 8.491 8.917 -0.426 18844 2706 1 8 . 1 1 22 22 ASP N N 22 115.741 115.741 117.783 -2.042 18844 2707 1 8 . 1 1 22 22 ASP HA H 22 4.650 4.650 4.487 0.163 18844 2708 1 8 . 1 1 22 22 ASP CA C 22 55.156 55.156 55.552 -0.396 18844 2709 1 8 . 1 1 22 22 ASP CB C 22 42.579 42.579 40.691 1.888 18844 2710 1 8 . 1 1 22 22 ASP H H 22 7.936 7.936 8.364 -0.428 18844 2711 1 8 . 1 1 23 23 ASP N N 23 119.945 119.945 118.895 1.050 18844 2712 1 8 . 1 1 23 23 ASP HA H 23 4.841 4.841 4.814 0.027 18844 2713 1 8 . 1 1 23 23 ASP CA C 23 55.223 55.223 53.649 1.574 18844 2714 1 8 . 1 1 23 23 ASP CB C 23 42.782 42.782 42.645 0.137 18844 2715 1 8 . 1 1 23 23 ASP H H 23 7.313 7.313 7.966 -0.653 18844 2716 1 8 . 1 1 24 24 THR N N 24 107.918 107.918 108.902 -0.984 18844 2717 1 8 . 1 1 24 24 THR HA H 24 5.328 5.328 4.810 0.518 18844 2718 1 8 . 1 1 24 24 THR CA C 24 60.989 60.989 59.946 1.044 18844 2719 1 8 . 1 1 24 24 THR CB C 24 74.287 74.287 72.447 1.840 18844 2720 1 8 . 1 1 24 24 THR H H 24 9.630 9.630 7.779 1.851 18844 2721 1 8 . 1 1 25 25 VAL N N 25 120.192 120.192 121.090 -0.898 18844 2722 1 8 . 1 1 25 25 VAL HA H 25 3.334 3.334 3.713 -0.379 18844 2723 1 8 . 1 1 25 25 VAL CA C 25 67.626 67.626 67.136 0.490 18844 2724 1 8 . 1 1 25 25 VAL CB C 25 32.149 32.149 31.371 0.778 18844 2725 1 8 . 1 1 25 25 VAL H H 25 8.260 8.260 8.715 -0.455 18844 2726 1 8 . 1 1 26 26 LEU N N 26 119.941 119.941 117.933 2.008 18844 2727 1 8 . 1 1 26 26 LEU HA H 26 3.872 3.872 4.033 -0.161 18844 2728 1 8 . 1 1 26 26 LEU CA C 26 58.592 58.592 58.136 0.456 18844 2729 1 8 . 1 1 26 26 LEU CB C 26 41.716 41.716 41.178 0.538 18844 2730 1 8 . 1 1 26 26 LEU H H 26 8.523 8.523 7.365 1.158 18844 2731 1 8 . 1 1 27 27 ASP N N 27 118.322 118.322 118.762 -0.440 18844 2732 1 8 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.420 -0.147 18844 2733 1 8 . 1 1 27 27 ASP CA C 27 58.663 58.663 56.807 1.856 18844 2734 1 8 . 1 1 27 27 ASP CB C 27 40.931 40.931 40.504 0.427 18844 2735 1 8 . 1 1 27 27 ASP H H 27 7.581 7.581 8.311 -0.730 18844 2736 1 8 . 1 1 28 28 LEU N N 28 122.021 122.021 120.095 1.926 18844 2737 1 8 . 1 1 28 28 LEU HA H 28 4.083 4.083 4.216 -0.133 18844 2738 1 8 . 1 1 28 28 LEU CA C 28 58.772 58.772 57.658 1.114 18844 2739 1 8 . 1 1 28 28 LEU CB C 28 41.225 41.225 42.389 -1.164 18844 2740 1 8 . 1 1 28 28 LEU H H 28 7.837 7.837 7.318 0.519 18844 2741 1 8 . 1 1 29 29 LYS N N 29 119.086 119.086 119.610 -0.524 18844 2742 1 8 . 1 1 29 29 LYS HA H 29 4.520 4.520 3.947 0.573 18844 2743 1 8 . 1 1 29 29 LYS CA C 29 59.787 59.787 60.606 -0.820 18844 2744 1 8 . 1 1 29 29 LYS CB C 29 34.297 34.297 32.155 2.142 18844 2745 1 8 . 1 1 29 29 LYS H H 29 8.467 8.467 8.592 -0.125 18844 2746 1 8 . 1 1 30 30 GLN N N 30 119.268 119.268 118.791 0.477 18844 2747 1 8 . 1 1 30 30 GLN HA H 30 3.932 3.932 4.037 -0.105 18844 2748 1 8 . 1 1 30 30 GLN CA C 30 59.663 59.663 58.567 1.096 18844 2749 1 8 . 1 1 30 30 GLN CB C 30 27.806 27.806 28.035 -0.229 18844 2750 1 8 . 1 1 30 30 GLN H H 30 9.049 9.049 7.966 1.083 18844 2751 1 8 . 1 1 31 31 PHE N N 31 121.690 121.690 120.270 1.420 18844 2752 1 8 . 1 1 31 31 PHE HA H 31 4.218 4.218 4.307 -0.089 18844 2753 1 8 . 1 1 31 31 PHE CA C 31 61.967 61.967 60.426 1.541 18844 2754 1 8 . 1 1 31 31 PHE CB C 31 39.374 39.374 39.606 -0.232 18844 2755 1 8 . 1 1 31 31 PHE H H 31 8.039 8.039 7.432 0.607 18844 2756 1 8 . 1 1 32 32 LEU N N 32 118.232 118.232 118.034 0.198 18844 2757 1 8 . 1 1 32 32 LEU HA H 32 3.637 3.637 3.862 -0.225 18844 2758 1 8 . 1 1 32 32 LEU CA C 32 57.708 57.708 58.113 -0.405 18844 2759 1 8 . 1 1 32 32 LEU CB C 32 41.270 41.270 41.274 -0.004 18844 2760 1 8 . 1 1 32 32 LEU H H 32 8.776 8.776 8.395 0.381 18844 2761 1 8 . 1 1 33 33 LYS N N 33 125.920 125.920 118.245 7.675 18844 2762 1 8 . 1 1 33 33 LYS HA H 33 3.802 3.802 3.797 0.005 18844 2763 1 8 . 1 1 33 33 LYS CA C 33 60.116 60.116 59.054 1.062 18844 2764 1 8 . 1 1 33 33 LYS CB C 33 31.701 31.701 31.493 0.208 18844 2765 1 8 . 1 1 33 33 LYS H H 33 8.237 8.237 8.415 -0.178 18844 2766 1 8 . 1 1 34 34 THR N N 34 114.544 114.544 112.273 2.271 18844 2767 1 8 . 1 1 34 34 THR HA H 34 3.773 3.773 4.103 -0.330 18844 2768 1 8 . 1 1 34 34 THR CA C 34 65.749 65.749 63.732 2.017 18844 2769 1 8 . 1 1 34 34 THR CB C 34 68.620 68.620 68.588 0.032 18844 2770 1 8 . 1 1 34 34 THR H H 34 7.281 7.281 7.093 0.188 18844 2771 1 8 . 1 1 35 35 LEU N N 35 117.590 117.590 120.714 -3.124 18844 2772 1 8 . 1 1 35 35 LEU HA H 35 4.018 4.018 4.102 -0.084 18844 2773 1 8 . 1 1 35 35 LEU CA C 35 57.015 57.015 57.129 -0.114 18844 2774 1 8 . 1 1 35 35 LEU CB C 35 44.003 44.003 42.454 1.549 18844 2775 1 8 . 1 1 35 35 LEU H H 35 6.752 6.752 7.565 -0.813 18844 2776 1 8 . 1 1 36 36 THR N N 36 104.865 104.865 109.718 -4.853 18844 2777 1 8 . 1 1 36 36 THR HA H 36 3.967 3.967 4.336 -0.369 18844 2778 1 8 . 1 1 36 36 THR CA C 36 62.756 62.756 61.484 1.272 18844 2779 1 8 . 1 1 36 36 THR CB C 36 72.343 72.343 69.801 2.542 18844 2780 1 8 . 1 1 36 36 THR H H 36 7.675 7.675 7.457 0.218 18844 2781 1 8 . 1 1 37 37 GLY N N 37 109.795 109.795 111.069 -1.274 18844 2782 1 8 . 1 1 37 37 GLY CA C 37 45.559 45.559 44.587 0.972 18844 2783 1 8 . 1 1 37 37 GLY H H 37 7.971 7.971 7.380 0.591 18844 2784 1 8 . 1 1 38 38 VAL N N 38 122.557 122.557 118.867 3.690 18844 2785 1 8 . 1 1 38 38 VAL HA H 38 3.638 3.638 3.993 -0.355 18844 2786 1 8 . 1 1 38 38 VAL CA C 38 62.437 62.437 60.301 2.136 18844 2787 1 8 . 1 1 38 38 VAL CB C 38 31.390 31.390 33.503 -2.113 18844 2788 1 8 . 1 1 38 38 VAL H H 38 7.533 7.533 7.434 0.099 18844 2789 1 8 . 1 1 39 39 LEU N N 39 127.828 127.828 122.827 5.001 18844 2790 1 8 . 1 1 39 39 LEU HA H 39 3.994 3.994 4.389 -0.395 18844 2791 1 8 . 1 1 39 39 LEU CA C 39 54.437 54.437 53.319 1.119 18844 2792 1 8 . 1 1 39 39 LEU CB C 39 40.557 40.557 40.095 0.462 18844 2793 1 8 . 1 1 39 39 LEU H H 39 8.634 8.634 8.314 0.320 18844 2794 1 8 . 1 1 40 40 PRO HA H 40 3.839 3.839 4.567 -0.728 18844 2795 1 8 . 1 1 40 40 PRO CA C 40 66.989 66.989 64.726 2.263 18844 2796 1 8 . 1 1 40 40 PRO CB C 40 32.322 32.322 31.979 0.343 18844 2797 1 8 . 1 1 41 41 GLU N N 41 114.752 114.752 117.958 -3.206 18844 2798 1 8 . 1 1 41 41 GLU HA H 41 4.071 4.071 4.079 -0.008 18844 2799 1 8 . 1 1 41 41 GLU CA C 41 58.938 58.938 58.557 0.381 18844 2800 1 8 . 1 1 41 41 GLU CB C 41 28.824 28.824 29.448 -0.624 18844 2801 1 8 . 1 1 41 41 GLU H H 41 9.746 9.746 8.670 1.076 18844 2802 1 8 . 1 1 42 42 ARG N N 42 118.145 118.145 115.780 2.365 18844 2803 1 8 . 1 1 42 42 ARG HA H 42 4.315 4.315 4.425 -0.110 18844 2804 1 8 . 1 1 42 42 ARG CA C 42 55.448 55.448 56.948 -1.500 18844 2805 1 8 . 1 1 42 42 ARG CB C 42 31.105 31.105 31.932 -0.827 18844 2806 1 8 . 1 1 42 42 ARG H H 42 7.938 7.938 7.553 0.385 18844 2807 1 8 . 1 1 43 43 GLN N N 43 118.250 118.250 118.464 -0.214 18844 2808 1 8 . 1 1 43 43 GLN HA H 43 4.251 4.251 4.792 -0.541 18844 2809 1 8 . 1 1 43 43 GLN CA C 43 56.537 56.537 54.754 1.783 18844 2810 1 8 . 1 1 43 43 GLN CB C 43 30.992 30.992 30.918 0.074 18844 2811 1 8 . 1 1 43 43 GLN H H 43 7.034 7.034 7.780 -0.746 18844 2812 1 8 . 1 1 44 44 LYS N N 44 122.693 122.693 119.642 3.051 18844 2813 1 8 . 1 1 44 44 LYS HA H 44 4.464 4.464 4.735 -0.271 18844 2814 1 8 . 1 1 44 44 LYS CA C 44 55.552 55.552 54.531 1.021 18844 2815 1 8 . 1 1 44 44 LYS CB C 44 34.325 34.325 34.936 -0.611 18844 2816 1 8 . 1 1 44 44 LYS H H 44 8.806 8.806 8.877 -0.071 18844 2817 1 8 . 1 1 45 45 LEU N N 45 124.806 124.806 124.122 0.684 18844 2818 1 8 . 1 1 45 45 LEU HA H 45 4.943 4.943 4.252 0.691 18844 2819 1 8 . 1 1 45 45 LEU CA C 45 53.542 53.542 55.103 -1.561 18844 2820 1 8 . 1 1 45 45 LEU CB C 45 41.821 41.821 40.909 0.912 18844 2821 1 8 . 1 1 45 45 LEU H H 45 8.704 8.704 8.714 -0.010 18844 2822 1 8 . 1 1 46 46 LEU N N 46 124.709 124.709 126.264 -1.555 18844 2823 1 8 . 1 1 46 46 LEU HA H 46 4.358 4.358 4.367 -0.009 18844 2824 1 8 . 1 1 46 46 LEU CA C 46 55.759 55.759 56.946 -1.187 18844 2825 1 8 . 1 1 46 46 LEU CB C 46 42.526 42.526 41.670 0.856 18844 2826 1 8 . 1 1 46 46 LEU H H 46 8.751 8.751 7.888 0.863 18844 2827 1 8 . 1 1 47 47 GLY N N 47 109.276 109.276 107.127 2.149 18844 2828 1 8 . 1 1 47 47 GLY CA C 47 45.560 45.560 44.707 0.853 18844 2829 1 8 . 1 1 47 47 GLY H H 47 8.300 8.300 8.408 -0.108 18844 2830 1 8 . 1 1 48 48 LEU N N 48 119.707 119.707 117.862 1.845 18844 2831 1 8 . 1 1 48 48 LEU HA H 48 4.590 4.590 4.144 0.446 18844 2832 1 8 . 1 1 48 48 LEU CA C 48 53.945 53.945 56.581 -2.636 18844 2833 1 8 . 1 1 48 48 LEU CB C 48 41.414 41.414 42.107 -0.693 18844 2834 1 8 . 1 1 48 48 LEU H H 48 7.581 7.581 7.405 0.176 18844 2835 1 8 . 1 1 49 49 LYS N N 49 124.527 124.527 119.074 5.453 18844 2836 1 8 . 1 1 49 49 LYS HA H 49 4.852 4.852 4.439 0.413 18844 2837 1 8 . 1 1 49 49 LYS CA C 49 55.663 55.663 55.668 -0.005 18844 2838 1 8 . 1 1 49 49 LYS CB C 49 37.581 37.581 34.360 3.221 18844 2839 1 8 . 1 1 49 49 LYS H H 49 8.606 8.606 7.450 1.156 18844 2840 1 8 . 1 1 50 50 VAL N N 50 119.184 119.184 123.047 -3.863 18844 2841 1 8 . 1 1 50 50 VAL HA H 50 4.113 4.113 4.334 -0.221 18844 2842 1 8 . 1 1 50 50 VAL CA C 50 61.865 61.865 60.497 1.368 18844 2843 1 8 . 1 1 50 50 VAL CB C 50 34.734 34.734 34.768 -0.034 18844 2844 1 8 . 1 1 50 50 VAL H H 50 8.799 8.799 8.686 0.113 18844 2845 1 8 . 1 1 51 51 LYS N N 51 127.069 127.069 127.378 -0.309 18844 2846 1 8 . 1 1 51 51 LYS HA H 51 3.824 3.824 3.970 -0.146 18844 2847 1 8 . 1 1 51 51 LYS CA C 51 57.407 57.407 57.043 0.364 18844 2848 1 8 . 1 1 51 51 LYS CB C 51 30.655 30.655 30.846 -0.191 18844 2849 1 8 . 1 1 51 51 LYS H H 51 9.451 9.451 9.101 0.350 18844 2850 1 8 . 1 1 52 52 GLY N N 52 102.671 102.671 104.023 -1.352 18844 2851 1 8 . 1 1 52 52 GLY CA C 52 45.810 45.810 44.920 0.890 18844 2852 1 8 . 1 1 52 52 GLY H H 52 8.512 8.512 8.223 0.289 18844 2853 1 8 . 1 1 53 53 LYS N N 53 121.307 121.307 121.811 -0.504 18844 2854 1 8 . 1 1 53 53 LYS HA H 53 4.829 4.829 4.697 0.132 18844 2855 1 8 . 1 1 53 53 LYS CA C 53 53.616 53.616 53.242 0.374 18844 2856 1 8 . 1 1 53 53 LYS CB C 53 33.940 33.940 32.131 1.809 18844 2857 1 8 . 1 1 53 53 LYS H H 53 7.781 7.781 7.887 -0.106 18844 2858 1 8 . 1 1 54 54 PRO HA H 54 4.376 4.376 4.295 0.081 18844 2859 1 8 . 1 1 54 54 PRO CA C 54 63.817 63.817 64.268 -0.451 18844 2860 1 8 . 1 1 54 54 PRO CB C 54 32.151 32.151 31.903 0.248 18844 2861 1 8 . 1 1 55 55 ALA N N 55 125.654 125.654 118.578 7.076 18844 2862 1 8 . 1 1 55 55 ALA HA H 55 4.138 4.138 3.937 0.201 18844 2863 1 8 . 1 1 55 55 ALA CA C 55 52.664 52.664 52.954 -0.290 18844 2864 1 8 . 1 1 55 55 ALA CB C 55 20.044 20.044 17.868 2.176 18844 2865 1 8 . 1 1 55 55 ALA H H 55 8.114 8.114 8.100 0.014 18844 2866 1 8 . 1 1 56 56 GLU N N 56 122.313 122.313 118.246 4.067 18844 2867 1 8 . 1 1 56 56 GLU HA H 56 4.215 4.215 4.039 0.176 18844 2868 1 8 . 1 1 56 56 GLU CA C 56 56.089 56.089 59.291 -3.202 18844 2869 1 8 . 1 1 56 56 GLU CB C 56 31.086 31.086 30.172 0.914 18844 2870 1 8 . 1 1 56 56 GLU H H 56 8.179 8.179 8.621 -0.442 18844 2871 1 8 . 1 1 57 57 ASN N N 57 115.140 115.140 110.052 5.088 18844 2872 1 8 . 1 1 57 57 ASN HA H 57 4.229 4.229 4.683 -0.454 18844 2873 1 8 . 1 1 57 57 ASN CA C 57 55.199 55.199 53.932 1.267 18844 2874 1 8 . 1 1 57 57 ASN CB C 57 39.227 39.227 38.552 0.675 18844 2875 1 8 . 1 1 57 57 ASN H H 57 8.504 8.504 7.955 0.549 18844 2876 1 8 . 1 1 58 58 ASP N N 58 112.832 112.832 120.178 -7.346 18844 2877 1 8 . 1 1 58 58 ASP HA H 58 4.488 4.488 4.531 -0.043 18844 2878 1 8 . 1 1 58 58 ASP CA C 58 53.608 53.608 54.107 -0.499 18844 2879 1 8 . 1 1 58 58 ASP CB C 58 40.304 40.304 40.667 -0.363 18844 2880 1 8 . 1 1 58 58 ASP H H 58 8.198 8.198 8.580 -0.382 18844 2881 1 8 . 1 1 59 59 VAL N N 59 122.073 122.073 118.402 3.671 18844 2882 1 8 . 1 1 59 59 VAL HA H 59 3.593 3.593 4.117 -0.524 18844 2883 1 8 . 1 1 59 59 VAL CA C 59 63.840 63.840 61.274 2.566 18844 2884 1 8 . 1 1 59 59 VAL CB C 59 32.322 32.322 33.241 -0.919 18844 2885 1 8 . 1 1 59 59 VAL H H 59 7.353 7.353 7.441 -0.088 18844 2886 1 8 . 1 1 60 60 LYS N N 60 125.064 125.064 123.136 1.928 18844 2887 1 8 . 1 1 60 60 LYS HA H 60 4.447 4.447 4.579 -0.132 18844 2888 1 8 . 1 1 60 60 LYS CA C 60 56.185 56.185 55.395 0.790 18844 2889 1 8 . 1 1 60 60 LYS CB C 60 33.105 33.105 33.773 -0.668 18844 2890 1 8 . 1 1 60 60 LYS H H 60 8.339 8.339 8.338 0.001 18844 2891 1 8 . 1 1 61 61 LEU N N 61 121.612 121.612 122.894 -1.282 18844 2892 1 8 . 1 1 61 61 LEU HA H 61 3.776 3.776 4.030 -0.254 18844 2893 1 8 . 1 1 61 61 LEU CA C 61 57.987 57.987 57.878 0.109 18844 2894 1 8 . 1 1 61 61 LEU CB C 61 40.832 40.832 41.837 -1.005 18844 2895 1 8 . 1 1 61 61 LEU H H 61 9.423 9.423 8.848 0.575 18844 2896 1 8 . 1 1 62 62 GLY N N 62 104.008 104.008 103.590 0.418 18844 2897 1 8 . 1 1 62 62 GLY CA C 62 46.772 46.772 45.834 0.938 18844 2898 1 8 . 1 1 62 62 GLY H H 62 9.107 9.107 7.927 1.180 18844 2899 1 8 . 1 1 63 63 ALA N N 63 122.025 122.025 122.334 -0.309 18844 2900 1 8 . 1 1 63 63 ALA HA H 63 4.273 4.273 4.337 -0.064 18844 2901 1 8 . 1 1 63 63 ALA CA C 63 53.421 53.421 53.535 -0.114 18844 2902 1 8 . 1 1 63 63 ALA CB C 63 18.816 18.816 18.759 0.057 18844 2903 1 8 . 1 1 63 63 ALA H H 63 7.755 7.755 7.664 0.091 18844 2904 1 8 . 1 1 64 64 LEU N N 64 115.454 115.454 114.886 0.568 18844 2905 1 8 . 1 1 64 64 LEU HA H 64 4.068 4.068 4.278 -0.210 18844 2906 1 8 . 1 1 64 64 LEU CA C 64 55.567 55.567 54.899 0.668 18844 2907 1 8 . 1 1 64 64 LEU CB C 64 42.136 42.136 42.209 -0.073 18844 2908 1 8 . 1 1 64 64 LEU H H 64 7.214 7.214 7.278 -0.064 18844 2909 1 8 . 1 1 65 65 LYS N N 65 114.830 114.830 114.720 0.110 18844 2910 1 8 . 1 1 65 65 LYS HA H 65 3.838 3.838 3.876 -0.038 18844 2911 1 8 . 1 1 65 65 LYS CA C 65 56.737 56.737 56.660 0.077 18844 2912 1 8 . 1 1 65 65 LYS CB C 65 29.307 29.307 29.324 -0.017 18844 2913 1 8 . 1 1 65 65 LYS H H 65 7.642 7.642 7.707 -0.065 18844 2914 1 8 . 1 1 66 66 LEU N N 66 119.305 119.305 119.502 -0.197 18844 2915 1 8 . 1 1 66 66 LEU HA H 66 4.163 4.163 4.331 -0.168 18844 2916 1 8 . 1 1 66 66 LEU CA C 66 54.847 54.847 54.377 0.470 18844 2917 1 8 . 1 1 66 66 LEU CB C 66 42.712 42.712 43.204 -0.492 18844 2918 1 8 . 1 1 66 66 LEU H H 66 8.516 8.516 7.725 0.791 18844 2919 1 8 . 1 1 67 67 LYS N N 67 121.480 121.480 123.149 -1.669 18844 2920 1 8 . 1 1 67 67 LYS HA H 67 4.497 4.497 4.406 0.091 18844 2921 1 8 . 1 1 67 67 LYS CA C 67 54.152 54.152 55.707 -1.555 18844 2922 1 8 . 1 1 67 67 LYS CB C 67 31.999 31.999 32.256 -0.257 18844 2923 1 8 . 1 1 67 67 LYS H H 67 7.955 7.955 8.118 -0.163 18844 2924 1 8 . 1 1 68 68 PRO HA H 68 4.169 4.169 4.734 -0.565 18844 2925 1 8 . 1 1 68 68 PRO CA C 68 64.389 64.389 65.146 -0.757 18844 2926 1 8 . 1 1 68 68 PRO CB C 68 32.214 32.214 32.243 -0.029 18844 2927 1 8 . 1 1 69 69 ASN N N 69 115.414 115.414 116.455 -1.041 18844 2928 1 8 . 1 1 69 69 ASN HA H 69 3.962 3.962 4.654 -0.692 18844 2929 1 8 . 1 1 69 69 ASN CA C 69 55.021 55.021 53.704 1.317 18844 2930 1 8 . 1 1 69 69 ASN CB C 69 37.047 37.047 37.565 -0.518 18844 2931 1 8 . 1 1 69 69 ASN H H 69 8.966 8.966 8.344 0.622 18844 2932 1 8 . 1 1 70 70 THR N N 70 115.426 115.426 117.672 -2.246 18844 2933 1 8 . 1 1 70 70 THR HA H 70 3.949 3.949 4.127 -0.178 18844 2934 1 8 . 1 1 70 70 THR CA C 70 65.247 65.247 64.683 0.564 18844 2935 1 8 . 1 1 70 70 THR CB C 70 70.132 70.132 69.419 0.713 18844 2936 1 8 . 1 1 70 70 THR H H 70 7.712 7.712 7.689 0.023 18844 2937 1 8 . 1 1 71 71 LYS N N 71 124.603 124.603 125.143 -0.540 18844 2938 1 8 . 1 1 71 71 LYS HA H 71 5.179 5.179 5.013 0.166 18844 2939 1 8 . 1 1 71 71 LYS CA C 71 55.340 55.340 55.379 -0.039 18844 2940 1 8 . 1 1 71 71 LYS CB C 71 33.729 33.729 34.039 -0.311 18844 2941 1 8 . 1 1 71 71 LYS H H 71 8.284 8.284 8.204 0.080 18844 2942 1 8 . 1 1 72 72 ILE N N 72 123.505 123.505 123.771 -0.266 18844 2943 1 8 . 1 1 72 72 ILE HA H 72 4.511 4.511 4.385 0.126 18844 2944 1 8 . 1 1 72 72 ILE CA C 72 59.636 59.636 59.229 0.407 18844 2945 1 8 . 1 1 72 72 ILE CB C 72 40.827 40.827 39.386 1.442 18844 2946 1 8 . 1 1 72 72 ILE H H 72 9.142 9.142 8.470 0.672 18844 2947 1 8 . 1 1 73 73 MET N N 73 123.090 123.090 125.776 -2.686 18844 2948 1 8 . 1 1 73 73 MET HA H 73 5.122 5.122 4.939 0.183 18844 2949 1 8 . 1 1 73 73 MET CA C 73 54.949 54.949 55.258 -0.309 18844 2950 1 8 . 1 1 73 73 MET CB C 73 35.143 35.143 34.991 0.152 18844 2951 1 8 . 1 1 73 73 MET H H 73 8.556 8.556 8.905 -0.349 18844 2952 1 8 . 1 1 74 74 MET N N 74 124.481 124.481 121.274 3.207 18844 2953 1 8 . 1 1 74 74 MET HA H 74 5.288 5.288 4.936 0.352 18844 2954 1 8 . 1 1 74 74 MET CA C 74 54.862 54.862 55.051 -0.189 18844 2955 1 8 . 1 1 74 74 MET CB C 74 36.294 36.294 35.084 1.210 18844 2956 1 8 . 1 1 74 74 MET H H 74 8.924 8.924 8.774 0.150 18844 2957 1 8 . 1 1 75 75 MET N N 75 123.963 123.963 123.776 0.187 18844 2958 1 8 . 1 1 75 75 MET HA H 75 5.093 5.093 4.995 0.098 18844 2959 1 8 . 1 1 75 75 MET CA C 75 54.265 54.265 54.414 -0.149 18844 2960 1 8 . 1 1 75 75 MET CB C 75 35.566 35.566 33.714 1.852 18844 2961 1 8 . 1 1 75 75 MET H H 75 9.112 9.112 8.362 0.750 18844 2962 1 8 . 1 1 76 76 GLY N N 76 109.773 109.773 110.867 -1.094 18844 2963 1 8 . 1 1 76 76 GLY CA C 76 45.901 45.901 45.179 0.722 18844 2964 1 8 . 1 1 76 76 GLY H H 76 8.711 8.711 8.738 -0.027 18844 2965 1 8 . 1 1 77 77 THR N N 77 113.345 113.345 114.271 -0.926 18844 2966 1 8 . 1 1 77 77 THR HA H 77 4.787 4.787 4.650 0.137 18844 2967 1 8 . 1 1 77 77 THR CA C 77 60.728 60.728 60.527 0.201 18844 2968 1 8 . 1 1 77 77 THR CB C 77 71.481 71.481 70.618 0.864 18844 2969 1 8 . 1 1 77 77 THR H H 77 8.280 8.280 8.298 -0.018 18844 2970 1 8 . 1 1 78 78 ARG N N 78 122.844 122.844 125.334 -2.490 18844 2971 1 8 . 1 1 78 78 ARG HA H 78 4.148 4.148 4.282 -0.134 18844 2972 1 8 . 1 1 78 78 ARG CA C 78 56.881 56.881 56.516 0.366 18844 2973 1 8 . 1 1 78 78 ARG CB C 78 31.607 31.607 30.889 0.718 18844 2974 1 8 . 1 1 78 78 ARG H H 78 8.852 8.852 8.473 0.379 18844 2975 1 8 . 1 1 79 79 GLU N N 79 122.181 122.181 122.350 -0.169 18844 2976 1 8 . 1 1 79 79 GLU HA H 79 4.206 4.206 4.236 -0.030 18844 2977 1 8 . 1 1 79 79 GLU CA C 79 57.007 57.007 56.452 0.555 18844 2978 1 8 . 1 1 79 79 GLU CB C 79 30.764 30.764 30.012 0.751 18844 2979 1 8 . 1 1 79 79 GLU H H 79 8.300 8.300 8.327 -0.027 18844 2980 1 8 . 1 1 80 80 GLU N N 80 126.965 126.965 119.698 7.267 18844 2981 1 8 . 1 1 80 80 GLU HA H 80 4.049 4.049 4.085 -0.036 18844 2982 1 8 . 1 1 80 80 GLU CA C 80 58.328 58.328 57.770 0.558 18844 2983 1 8 . 1 1 80 80 GLU CB C 80 31.287 31.287 29.315 1.972 18844 2984 1 8 . 1 1 80 80 GLU H H 80 8.015 8.015 8.576 -0.561 18844 2985 1 9 . 1 1 2 2 ALA N N 2 126.014 126.014 123.960 2.054 18844 2986 1 9 . 1 1 2 2 ALA HA H 2 4.033 4.033 4.470 -0.437 18844 2987 1 9 . 1 1 2 2 ALA CA C 2 53.215 53.215 51.598 1.617 18844 2988 1 9 . 1 1 2 2 ALA CB C 2 19.376 19.376 19.590 -0.214 18844 2989 1 9 . 1 1 2 2 ALA H H 2 8.410 8.410 8.370 0.040 18844 2990 1 9 . 1 1 3 3 LEU N N 3 123.255 123.255 124.318 -1.063 18844 2991 1 9 . 1 1 3 3 LEU HA H 3 4.646 4.646 4.588 0.058 18844 2992 1 9 . 1 1 3 3 LEU CA C 3 51.817 51.817 52.101 -0.284 18844 2993 1 9 . 1 1 3 3 LEU CB C 3 43.557 43.557 43.189 0.368 18844 2994 1 9 . 1 1 3 3 LEU H H 3 8.271 8.271 8.432 -0.161 18844 2995 1 9 . 1 1 4 4 PRO HA H 4 4.606 4.606 4.534 0.072 18844 2996 1 9 . 1 1 4 4 PRO CA C 4 63.240 63.240 62.437 0.803 18844 2997 1 9 . 1 1 4 4 PRO CB C 4 32.070 32.070 32.714 -0.644 18844 2998 1 9 . 1 1 5 5 ILE N N 5 122.161 122.161 118.198 3.963 18844 2999 1 9 . 1 1 5 5 ILE HA H 5 4.359 4.359 4.826 -0.467 18844 3000 1 9 . 1 1 5 5 ILE CA C 5 60.833 60.833 60.451 0.382 18844 3001 1 9 . 1 1 5 5 ILE CB C 5 43.943 43.943 42.771 1.172 18844 3002 1 9 . 1 1 5 5 ILE H H 5 8.317 8.317 7.686 0.631 18844 3003 1 9 . 1 1 6 6 ILE N N 6 125.649 125.649 126.357 -0.708 18844 3004 1 9 . 1 1 6 6 ILE HA H 6 4.921 4.921 4.715 0.206 18844 3005 1 9 . 1 1 6 6 ILE CA C 6 59.865 59.865 60.925 -1.060 18844 3006 1 9 . 1 1 6 6 ILE CB C 6 40.264 40.264 40.357 -0.093 18844 3007 1 9 . 1 1 6 6 ILE H H 6 8.408 8.408 8.399 0.009 18844 3008 1 9 . 1 1 7 7 VAL N N 7 125.741 125.741 127.045 -1.304 18844 3009 1 9 . 1 1 7 7 VAL HA H 7 4.930 4.930 4.736 0.194 18844 3010 1 9 . 1 1 7 7 VAL CA C 7 60.363 60.363 59.566 0.797 18844 3011 1 9 . 1 1 7 7 VAL CB C 7 34.759 34.759 35.033 -0.274 18844 3012 1 9 . 1 1 7 7 VAL H H 7 9.155 9.155 9.135 0.020 18844 3013 1 9 . 1 1 8 8 LYS N N 8 128.098 128.098 128.836 -0.738 18844 3014 1 9 . 1 1 8 8 LYS HA H 8 5.232 5.232 5.454 -0.222 18844 3015 1 9 . 1 1 8 8 LYS CA C 8 55.275 55.275 54.565 0.710 18844 3016 1 9 . 1 1 8 8 LYS CB C 8 34.935 34.935 34.163 0.772 18844 3017 1 9 . 1 1 8 8 LYS H H 8 9.174 9.174 9.005 0.169 18844 3018 1 9 . 1 1 9 9 TRP N N 9 125.952 125.952 128.358 -2.406 18844 3019 1 9 . 1 1 9 9 TRP HA H 9 5.185 5.185 4.920 0.265 18844 3020 1 9 . 1 1 9 9 TRP CA C 9 57.734 57.734 56.616 1.118 18844 3021 1 9 . 1 1 9 9 TRP CB C 9 31.561 31.561 31.337 0.224 18844 3022 1 9 . 1 1 9 9 TRP H H 9 8.844 8.844 8.410 0.434 18844 3023 1 9 . 1 1 10 10 GLY N N 10 117.044 117.044 116.482 0.562 18844 3024 1 9 . 1 1 10 10 GLY CA C 10 47.101 47.101 45.468 1.633 18844 3025 1 9 . 1 1 10 10 GLY H H 10 8.683 8.683 8.588 0.095 18844 3026 1 9 . 1 1 11 11 GLY N N 11 109.364 109.364 111.382 -2.018 18844 3027 1 9 . 1 1 11 11 GLY CA C 11 45.460 45.460 45.053 0.406 18844 3028 1 9 . 1 1 11 11 GLY H H 11 8.600 8.600 7.971 0.629 18844 3029 1 9 . 1 1 12 12 GLN N N 12 119.388 119.388 119.908 -0.520 18844 3030 1 9 . 1 1 12 12 GLN HA H 12 4.483 4.483 4.603 -0.120 18844 3031 1 9 . 1 1 12 12 GLN CA C 12 54.502 54.502 54.961 -0.459 18844 3032 1 9 . 1 1 12 12 GLN CB C 12 32.178 32.178 31.945 0.233 18844 3033 1 9 . 1 1 12 12 GLN H H 12 7.865 7.865 7.693 0.172 18844 3034 1 9 . 1 1 13 13 GLU N N 13 119.756 119.756 121.833 -2.077 18844 3035 1 9 . 1 1 13 13 GLU HA H 13 4.880 4.880 4.848 0.032 18844 3036 1 9 . 1 1 13 13 GLU CA C 13 55.655 55.655 55.338 0.317 18844 3037 1 9 . 1 1 13 13 GLU CB C 13 32.306 32.306 31.707 0.599 18844 3038 1 9 . 1 1 13 13 GLU H H 13 8.172 8.172 8.481 -0.309 18844 3039 1 9 . 1 1 14 14 TYR N N 14 122.812 122.812 122.134 0.678 18844 3040 1 9 . 1 1 14 14 TYR HA H 14 4.601 4.601 4.737 -0.136 18844 3041 1 9 . 1 1 14 14 TYR CA C 14 57.246 57.246 56.804 0.442 18844 3042 1 9 . 1 1 14 14 TYR CB C 14 40.544 40.544 41.132 -0.588 18844 3043 1 9 . 1 1 14 14 TYR H H 14 9.381 9.381 8.828 0.553 18844 3044 1 9 . 1 1 15 15 SER N N 15 118.339 118.339 119.673 -1.334 18844 3045 1 9 . 1 1 15 15 SER HA H 15 4.747 4.747 4.579 0.168 18844 3046 1 9 . 1 1 15 15 SER CA C 15 58.099 58.099 58.334 -0.235 18844 3047 1 9 . 1 1 15 15 SER CB C 15 63.394 63.394 63.743 -0.349 18844 3048 1 9 . 1 1 15 15 SER H H 15 8.802 8.802 8.667 0.135 18844 3049 1 9 . 1 1 16 16 VAL N N 16 128.611 128.611 124.090 4.521 18844 3050 1 9 . 1 1 16 16 VAL HA H 16 4.205 4.205 4.323 -0.118 18844 3051 1 9 . 1 1 16 16 VAL CA C 16 62.344 62.344 62.514 -0.170 18844 3052 1 9 . 1 1 16 16 VAL CB C 16 32.528 32.528 33.152 -0.624 18844 3053 1 9 . 1 1 16 16 VAL H H 16 9.005 9.005 8.781 0.224 18844 3054 1 9 . 1 1 17 17 THR N N 17 116.170 116.170 116.885 -0.715 18844 3055 1 9 . 1 1 17 17 THR HA H 17 4.533 4.533 4.650 -0.117 18844 3056 1 9 . 1 1 17 17 THR CA C 17 62.331 62.331 62.078 0.253 18844 3057 1 9 . 1 1 17 17 THR CB C 17 70.040 70.040 69.077 0.963 18844 3058 1 9 . 1 1 17 17 THR H H 17 8.746 8.746 8.567 0.179 18844 3059 1 9 . 1 1 18 18 THR N N 18 107.517 107.517 116.522 -9.005 18844 3060 1 9 . 1 1 18 18 THR HA H 18 4.173 4.173 4.160 0.013 18844 3061 1 9 . 1 1 18 18 THR CA C 18 61.772 61.772 62.515 -0.743 18844 3062 1 9 . 1 1 18 18 THR CB C 18 69.121 69.121 68.998 0.123 18844 3063 1 9 . 1 1 18 18 THR H H 18 6.812 6.812 8.171 -1.359 18844 3064 1 9 . 1 1 19 19 LEU N N 19 123.019 123.019 123.683 -0.664 18844 3065 1 9 . 1 1 19 19 LEU HA H 19 4.583 4.583 4.340 0.243 18844 3066 1 9 . 1 1 19 19 LEU CA C 19 54.180 54.180 54.292 -0.112 18844 3067 1 9 . 1 1 19 19 LEU CB C 19 42.711 42.711 42.864 -0.153 18844 3068 1 9 . 1 1 19 19 LEU H H 19 8.388 8.388 7.812 0.576 18844 3069 1 9 . 1 1 20 20 SER N N 20 117.870 117.870 115.166 2.704 18844 3070 1 9 . 1 1 20 20 SER HA H 20 4.863 4.863 4.900 -0.037 18844 3071 1 9 . 1 1 20 20 SER CA C 20 56.832 56.832 56.538 0.294 18844 3072 1 9 . 1 1 20 20 SER CB C 20 67.845 67.845 66.752 1.093 18844 3073 1 9 . 1 1 20 20 SER H H 20 9.714 9.714 8.927 0.787 18844 3074 1 9 . 1 1 21 21 GLU N N 21 116.130 116.130 121.608 -5.478 18844 3075 1 9 . 1 1 21 21 GLU HA H 21 3.740 3.740 4.074 -0.334 18844 3076 1 9 . 1 1 21 21 GLU CA C 21 59.134 59.134 58.446 0.688 18844 3077 1 9 . 1 1 21 21 GLU CB C 21 30.854 30.854 28.889 1.965 18844 3078 1 9 . 1 1 21 21 GLU H H 21 8.491 8.491 9.279 -0.788 18844 3079 1 9 . 1 1 22 22 ASP N N 22 115.741 115.741 118.352 -2.611 18844 3080 1 9 . 1 1 22 22 ASP HA H 22 4.650 4.650 4.526 0.124 18844 3081 1 9 . 1 1 22 22 ASP CA C 22 55.156 55.156 55.635 -0.479 18844 3082 1 9 . 1 1 22 22 ASP CB C 22 42.579 42.579 40.981 1.598 18844 3083 1 9 . 1 1 22 22 ASP H H 22 7.936 7.936 8.392 -0.456 18844 3084 1 9 . 1 1 23 23 ASP N N 23 119.945 119.945 118.233 1.712 18844 3085 1 9 . 1 1 23 23 ASP HA H 23 4.841 4.841 4.928 -0.087 18844 3086 1 9 . 1 1 23 23 ASP CA C 23 55.223 55.223 53.834 1.389 18844 3087 1 9 . 1 1 23 23 ASP CB C 23 42.782 42.782 42.321 0.461 18844 3088 1 9 . 1 1 23 23 ASP H H 23 7.313 7.313 8.296 -0.983 18844 3089 1 9 . 1 1 24 24 THR N N 24 107.918 107.918 109.493 -1.575 18844 3090 1 9 . 1 1 24 24 THR HA H 24 5.328 5.328 4.766 0.562 18844 3091 1 9 . 1 1 24 24 THR CA C 24 60.989 60.989 60.214 0.775 18844 3092 1 9 . 1 1 24 24 THR CB C 24 74.287 74.287 72.022 2.265 18844 3093 1 9 . 1 1 24 24 THR H H 24 9.630 9.630 7.813 1.817 18844 3094 1 9 . 1 1 25 25 VAL N N 25 120.192 120.192 121.855 -1.663 18844 3095 1 9 . 1 1 25 25 VAL HA H 25 3.334 3.334 3.741 -0.407 18844 3096 1 9 . 1 1 25 25 VAL CA C 25 67.626 67.626 66.895 0.731 18844 3097 1 9 . 1 1 25 25 VAL CB C 25 32.149 32.149 31.222 0.927 18844 3098 1 9 . 1 1 25 25 VAL H H 25 8.260 8.260 8.739 -0.479 18844 3099 1 9 . 1 1 26 26 LEU N N 26 119.941 119.941 118.283 1.658 18844 3100 1 9 . 1 1 26 26 LEU HA H 26 3.872 3.872 4.026 -0.154 18844 3101 1 9 . 1 1 26 26 LEU CA C 26 58.592 58.592 58.332 0.260 18844 3102 1 9 . 1 1 26 26 LEU CB C 26 41.716 41.716 41.223 0.493 18844 3103 1 9 . 1 1 26 26 LEU H H 26 8.523 8.523 7.262 1.261 18844 3104 1 9 . 1 1 27 27 ASP N N 27 118.322 118.322 118.441 -0.119 18844 3105 1 9 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.439 -0.166 18844 3106 1 9 . 1 1 27 27 ASP CA C 27 58.663 58.663 57.071 1.592 18844 3107 1 9 . 1 1 27 27 ASP CB C 27 40.931 40.931 40.758 0.173 18844 3108 1 9 . 1 1 27 27 ASP H H 27 7.581 7.581 8.336 -0.755 18844 3109 1 9 . 1 1 28 28 LEU N N 28 122.021 122.021 120.037 1.984 18844 3110 1 9 . 1 1 28 28 LEU HA H 28 4.083 4.083 4.196 -0.113 18844 3111 1 9 . 1 1 28 28 LEU CA C 28 58.772 58.772 57.729 1.043 18844 3112 1 9 . 1 1 28 28 LEU CB C 28 41.225 41.225 42.319 -1.094 18844 3113 1 9 . 1 1 28 28 LEU H H 28 7.837 7.837 7.455 0.382 18844 3114 1 9 . 1 1 29 29 LYS N N 29 119.086 119.086 119.633 -0.547 18844 3115 1 9 . 1 1 29 29 LYS HA H 29 4.520 4.520 3.947 0.573 18844 3116 1 9 . 1 1 29 29 LYS CA C 29 59.787 59.787 60.563 -0.776 18844 3117 1 9 . 1 1 29 29 LYS CB C 29 34.297 34.297 32.132 2.165 18844 3118 1 9 . 1 1 29 29 LYS H H 29 8.467 8.467 8.549 -0.082 18844 3119 1 9 . 1 1 30 30 GLN N N 30 119.268 119.268 118.008 1.260 18844 3120 1 9 . 1 1 30 30 GLN HA H 30 3.932 3.932 4.036 -0.104 18844 3121 1 9 . 1 1 30 30 GLN CA C 30 59.663 59.663 58.643 1.020 18844 3122 1 9 . 1 1 30 30 GLN CB C 30 27.806 27.806 27.987 -0.181 18844 3123 1 9 . 1 1 30 30 GLN H H 30 9.049 9.049 8.088 0.961 18844 3124 1 9 . 1 1 31 31 PHE N N 31 121.690 121.690 120.183 1.507 18844 3125 1 9 . 1 1 31 31 PHE HA H 31 4.218 4.218 4.304 -0.086 18844 3126 1 9 . 1 1 31 31 PHE CA C 31 61.967 61.967 60.571 1.396 18844 3127 1 9 . 1 1 31 31 PHE CB C 31 39.374 39.374 39.675 -0.300 18844 3128 1 9 . 1 1 31 31 PHE H H 31 8.039 8.039 7.431 0.608 18844 3129 1 9 . 1 1 32 32 LEU N N 32 118.232 118.232 118.092 0.140 18844 3130 1 9 . 1 1 32 32 LEU HA H 32 3.637 3.637 3.963 -0.326 18844 3131 1 9 . 1 1 32 32 LEU CA C 32 57.708 57.708 58.209 -0.501 18844 3132 1 9 . 1 1 32 32 LEU CB C 32 41.270 41.270 41.271 -0.001 18844 3133 1 9 . 1 1 32 32 LEU H H 32 8.776 8.776 8.415 0.361 18844 3134 1 9 . 1 1 33 33 LYS N N 33 125.920 125.920 118.253 7.667 18844 3135 1 9 . 1 1 33 33 LYS HA H 33 3.802 3.802 3.872 -0.070 18844 3136 1 9 . 1 1 33 33 LYS CA C 33 60.116 60.116 59.102 1.014 18844 3137 1 9 . 1 1 33 33 LYS CB C 33 31.701 31.701 31.483 0.218 18844 3138 1 9 . 1 1 33 33 LYS H H 33 8.237 8.237 8.474 -0.237 18844 3139 1 9 . 1 1 34 34 THR N N 34 114.544 114.544 112.352 2.192 18844 3140 1 9 . 1 1 34 34 THR HA H 34 3.773 3.773 4.099 -0.326 18844 3141 1 9 . 1 1 34 34 THR CA C 34 65.749 65.749 63.727 2.022 18844 3142 1 9 . 1 1 34 34 THR CB C 34 68.620 68.620 68.579 0.041 18844 3143 1 9 . 1 1 34 34 THR H H 34 7.281 7.281 7.096 0.185 18844 3144 1 9 . 1 1 35 35 LEU N N 35 117.590 117.590 120.577 -2.987 18844 3145 1 9 . 1 1 35 35 LEU HA H 35 4.018 4.018 4.128 -0.110 18844 3146 1 9 . 1 1 35 35 LEU CA C 35 57.015 57.015 57.127 -0.112 18844 3147 1 9 . 1 1 35 35 LEU CB C 35 44.003 44.003 42.528 1.475 18844 3148 1 9 . 1 1 35 35 LEU H H 35 6.752 6.752 7.660 -0.908 18844 3149 1 9 . 1 1 36 36 THR N N 36 104.865 104.865 109.007 -4.142 18844 3150 1 9 . 1 1 36 36 THR HA H 36 3.967 3.967 4.278 -0.311 18844 3151 1 9 . 1 1 36 36 THR CA C 36 62.756 62.756 61.848 0.908 18844 3152 1 9 . 1 1 36 36 THR CB C 36 72.343 72.343 69.578 2.765 18844 3153 1 9 . 1 1 36 36 THR H H 36 7.675 7.675 7.514 0.161 18844 3154 1 9 . 1 1 37 37 GLY N N 37 109.795 109.795 111.441 -1.646 18844 3155 1 9 . 1 1 37 37 GLY CA C 37 45.559 45.559 44.744 0.815 18844 3156 1 9 . 1 1 37 37 GLY H H 37 7.971 7.971 7.448 0.523 18844 3157 1 9 . 1 1 38 38 VAL N N 38 122.557 122.557 119.441 3.116 18844 3158 1 9 . 1 1 38 38 VAL HA H 38 3.638 3.638 3.995 -0.357 18844 3159 1 9 . 1 1 38 38 VAL CA C 38 62.437 62.437 59.780 2.657 18844 3160 1 9 . 1 1 38 38 VAL CB C 38 31.390 31.390 33.712 -2.322 18844 3161 1 9 . 1 1 38 38 VAL H H 38 7.533 7.533 7.367 0.166 18844 3162 1 9 . 1 1 39 39 LEU N N 39 127.828 127.828 123.572 4.256 18844 3163 1 9 . 1 1 39 39 LEU HA H 39 3.994 3.994 4.429 -0.435 18844 3164 1 9 . 1 1 39 39 LEU CA C 39 54.437 54.437 53.433 1.004 18844 3165 1 9 . 1 1 39 39 LEU CB C 39 40.557 40.557 40.286 0.271 18844 3166 1 9 . 1 1 39 39 LEU H H 39 8.634 8.634 8.230 0.404 18844 3167 1 9 . 1 1 40 40 PRO HA H 40 3.839 3.839 4.612 -0.772 18844 3168 1 9 . 1 1 40 40 PRO CA C 40 66.989 66.989 64.663 2.325 18844 3169 1 9 . 1 1 40 40 PRO CB C 40 32.322 32.322 31.895 0.427 18844 3170 1 9 . 1 1 41 41 GLU N N 41 114.752 114.752 117.944 -3.192 18844 3171 1 9 . 1 1 41 41 GLU HA H 41 4.071 4.071 4.105 -0.034 18844 3172 1 9 . 1 1 41 41 GLU CA C 41 58.938 58.938 58.566 0.372 18844 3173 1 9 . 1 1 41 41 GLU CB C 41 28.824 28.824 29.270 -0.446 18844 3174 1 9 . 1 1 41 41 GLU H H 41 9.746 9.746 8.602 1.144 18844 3175 1 9 . 1 1 42 42 ARG N N 42 118.145 118.145 115.861 2.284 18844 3176 1 9 . 1 1 42 42 ARG HA H 42 4.315 4.315 4.468 -0.153 18844 3177 1 9 . 1 1 42 42 ARG CA C 42 55.448 55.448 56.724 -1.276 18844 3178 1 9 . 1 1 42 42 ARG CB C 42 31.105 31.105 31.687 -0.582 18844 3179 1 9 . 1 1 42 42 ARG H H 42 7.938 7.938 7.584 0.354 18844 3180 1 9 . 1 1 43 43 GLN N N 43 118.250 118.250 118.571 -0.321 18844 3181 1 9 . 1 1 43 43 GLN HA H 43 4.251 4.251 4.793 -0.542 18844 3182 1 9 . 1 1 43 43 GLN CA C 43 56.537 56.537 54.716 1.821 18844 3183 1 9 . 1 1 43 43 GLN CB C 43 30.992 30.992 30.867 0.125 18844 3184 1 9 . 1 1 43 43 GLN H H 43 7.034 7.034 7.815 -0.781 18844 3185 1 9 . 1 1 44 44 LYS N N 44 122.693 122.693 119.657 3.036 18844 3186 1 9 . 1 1 44 44 LYS HA H 44 4.464 4.464 4.741 -0.277 18844 3187 1 9 . 1 1 44 44 LYS CA C 44 55.552 55.552 54.518 1.034 18844 3188 1 9 . 1 1 44 44 LYS CB C 44 34.325 34.325 34.965 -0.640 18844 3189 1 9 . 1 1 44 44 LYS H H 44 8.806 8.806 8.892 -0.086 18844 3190 1 9 . 1 1 45 45 LEU N N 45 124.806 124.806 124.073 0.733 18844 3191 1 9 . 1 1 45 45 LEU HA H 45 4.943 4.943 4.252 0.691 18844 3192 1 9 . 1 1 45 45 LEU CA C 45 53.542 53.542 55.096 -1.554 18844 3193 1 9 . 1 1 45 45 LEU CB C 45 41.821 41.821 40.934 0.887 18844 3194 1 9 . 1 1 45 45 LEU H H 45 8.704 8.704 8.729 -0.025 18844 3195 1 9 . 1 1 46 46 LEU N N 46 124.709 124.709 125.809 -1.100 18844 3196 1 9 . 1 1 46 46 LEU HA H 46 4.358 4.358 4.375 -0.017 18844 3197 1 9 . 1 1 46 46 LEU CA C 46 55.759 55.759 56.911 -1.152 18844 3198 1 9 . 1 1 46 46 LEU CB C 46 42.526 42.526 41.748 0.778 18844 3199 1 9 . 1 1 46 46 LEU H H 46 8.751 8.751 7.901 0.850 18844 3200 1 9 . 1 1 47 47 GLY N N 47 109.276 109.276 107.140 2.136 18844 3201 1 9 . 1 1 47 47 GLY CA C 47 45.560 45.560 44.718 0.842 18844 3202 1 9 . 1 1 47 47 GLY H H 47 8.300 8.300 8.393 -0.093 18844 3203 1 9 . 1 1 48 48 LEU N N 48 119.707 119.707 117.528 2.179 18844 3204 1 9 . 1 1 48 48 LEU HA H 48 4.590 4.590 4.221 0.369 18844 3205 1 9 . 1 1 48 48 LEU CA C 48 53.945 53.945 56.386 -2.441 18844 3206 1 9 . 1 1 48 48 LEU CB C 48 41.414 41.414 42.166 -0.752 18844 3207 1 9 . 1 1 48 48 LEU H H 48 7.581 7.581 7.435 0.146 18844 3208 1 9 . 1 1 49 49 LYS N N 49 124.527 124.527 117.422 7.105 18844 3209 1 9 . 1 1 49 49 LYS HA H 49 4.852 4.852 4.524 0.328 18844 3210 1 9 . 1 1 49 49 LYS CA C 49 55.663 55.663 54.758 0.905 18844 3211 1 9 . 1 1 49 49 LYS CB C 49 37.581 37.581 34.727 2.854 18844 3212 1 9 . 1 1 49 49 LYS H H 49 8.606 8.606 7.234 1.372 18844 3213 1 9 . 1 1 50 50 VAL N N 50 119.184 119.184 122.038 -2.854 18844 3214 1 9 . 1 1 50 50 VAL HA H 50 4.113 4.113 4.293 -0.180 18844 3215 1 9 . 1 1 50 50 VAL CA C 50 61.865 61.865 60.341 1.524 18844 3216 1 9 . 1 1 50 50 VAL CB C 50 34.734 34.734 35.114 -0.380 18844 3217 1 9 . 1 1 50 50 VAL H H 50 8.799 8.799 8.418 0.381 18844 3218 1 9 . 1 1 51 51 LYS N N 51 127.069 127.069 126.946 0.123 18844 3219 1 9 . 1 1 51 51 LYS HA H 51 3.824 3.824 4.004 -0.180 18844 3220 1 9 . 1 1 51 51 LYS CA C 51 57.407 57.407 56.821 0.586 18844 3221 1 9 . 1 1 51 51 LYS CB C 51 30.655 30.655 30.477 0.178 18844 3222 1 9 . 1 1 51 51 LYS H H 51 9.451 9.451 9.055 0.396 18844 3223 1 9 . 1 1 52 52 GLY N N 52 102.671 102.671 103.399 -0.728 18844 3224 1 9 . 1 1 52 52 GLY CA C 52 45.810 45.810 45.128 0.682 18844 3225 1 9 . 1 1 52 52 GLY H H 52 8.512 8.512 8.207 0.305 18844 3226 1 9 . 1 1 53 53 LYS N N 53 121.307 121.307 121.825 -0.518 18844 3227 1 9 . 1 1 53 53 LYS HA H 53 4.829 4.829 4.649 0.180 18844 3228 1 9 . 1 1 53 53 LYS CA C 53 53.616 53.616 53.021 0.595 18844 3229 1 9 . 1 1 53 53 LYS CB C 53 33.940 33.940 32.608 1.332 18844 3230 1 9 . 1 1 53 53 LYS H H 53 7.781 7.781 7.840 -0.059 18844 3231 1 9 . 1 1 54 54 PRO HA H 54 4.376 4.376 4.219 0.157 18844 3232 1 9 . 1 1 54 54 PRO CA C 54 63.817 63.817 64.238 -0.421 18844 3233 1 9 . 1 1 54 54 PRO CB C 54 32.151 32.151 31.924 0.227 18844 3234 1 9 . 1 1 55 55 ALA N N 55 125.654 125.654 119.986 5.668 18844 3235 1 9 . 1 1 55 55 ALA HA H 55 4.138 4.138 3.961 0.177 18844 3236 1 9 . 1 1 55 55 ALA CA C 55 52.664 52.664 52.778 -0.114 18844 3237 1 9 . 1 1 55 55 ALA CB C 55 20.044 20.044 17.714 2.330 18844 3238 1 9 . 1 1 55 55 ALA H H 55 8.114 8.114 7.990 0.124 18844 3239 1 9 . 1 1 56 56 GLU N N 56 122.313 122.313 118.303 4.010 18844 3240 1 9 . 1 1 56 56 GLU HA H 56 4.215 4.215 4.016 0.199 18844 3241 1 9 . 1 1 56 56 GLU CA C 56 56.089 56.089 59.116 -3.027 18844 3242 1 9 . 1 1 56 56 GLU CB C 56 31.086 31.086 30.069 1.017 18844 3243 1 9 . 1 1 56 56 GLU H H 56 8.179 8.179 8.651 -0.472 18844 3244 1 9 . 1 1 57 57 ASN N N 57 115.140 115.140 109.761 5.379 18844 3245 1 9 . 1 1 57 57 ASN HA H 57 4.229 4.229 4.690 -0.461 18844 3246 1 9 . 1 1 57 57 ASN CA C 57 55.199 55.199 53.816 1.383 18844 3247 1 9 . 1 1 57 57 ASN CB C 57 39.227 39.227 38.719 0.508 18844 3248 1 9 . 1 1 57 57 ASN H H 57 8.504 8.504 7.930 0.574 18844 3249 1 9 . 1 1 58 58 ASP N N 58 112.832 112.832 120.865 -8.033 18844 3250 1 9 . 1 1 58 58 ASP HA H 58 4.488 4.488 4.492 -0.004 18844 3251 1 9 . 1 1 58 58 ASP CA C 58 53.608 53.608 55.211 -1.603 18844 3252 1 9 . 1 1 58 58 ASP CB C 58 40.304 40.304 40.906 -0.602 18844 3253 1 9 . 1 1 58 58 ASP H H 58 8.198 8.198 8.472 -0.274 18844 3254 1 9 . 1 1 59 59 VAL N N 59 122.073 122.073 119.966 2.107 18844 3255 1 9 . 1 1 59 59 VAL HA H 59 3.593 3.593 4.017 -0.424 18844 3256 1 9 . 1 1 59 59 VAL CA C 59 63.840 63.840 62.176 1.664 18844 3257 1 9 . 1 1 59 59 VAL CB C 59 32.322 32.322 32.915 -0.593 18844 3258 1 9 . 1 1 59 59 VAL H H 59 7.353 7.353 7.500 -0.147 18844 3259 1 9 . 1 1 60 60 LYS N N 60 125.064 125.064 124.032 1.032 18844 3260 1 9 . 1 1 60 60 LYS HA H 60 4.447 4.447 4.669 -0.222 18844 3261 1 9 . 1 1 60 60 LYS CA C 60 56.185 56.185 55.359 0.826 18844 3262 1 9 . 1 1 60 60 LYS CB C 60 33.105 33.105 33.857 -0.752 18844 3263 1 9 . 1 1 60 60 LYS H H 60 8.339 8.339 8.217 0.122 18844 3264 1 9 . 1 1 61 61 LEU N N 61 121.612 121.612 122.687 -1.075 18844 3265 1 9 . 1 1 61 61 LEU HA H 61 3.776 3.776 4.015 -0.239 18844 3266 1 9 . 1 1 61 61 LEU CA C 61 57.987 57.987 58.390 -0.403 18844 3267 1 9 . 1 1 61 61 LEU CB C 61 40.832 40.832 41.767 -0.935 18844 3268 1 9 . 1 1 61 61 LEU H H 61 9.423 9.423 8.836 0.587 18844 3269 1 9 . 1 1 62 62 GLY N N 62 104.008 104.008 102.840 1.168 18844 3270 1 9 . 1 1 62 62 GLY CA C 62 46.772 46.772 45.457 1.315 18844 3271 1 9 . 1 1 62 62 GLY H H 62 9.107 9.107 8.236 0.871 18844 3272 1 9 . 1 1 63 63 ALA N N 63 122.025 122.025 123.499 -1.474 18844 3273 1 9 . 1 1 63 63 ALA HA H 63 4.273 4.273 4.376 -0.103 18844 3274 1 9 . 1 1 63 63 ALA CA C 63 53.421 53.421 53.794 -0.373 18844 3275 1 9 . 1 1 63 63 ALA CB C 63 18.816 18.816 18.926 -0.110 18844 3276 1 9 . 1 1 63 63 ALA H H 63 7.755 7.755 7.552 0.203 18844 3277 1 9 . 1 1 64 64 LEU N N 64 115.454 115.454 115.690 -0.236 18844 3278 1 9 . 1 1 64 64 LEU HA H 64 4.068 4.068 4.146 -0.078 18844 3279 1 9 . 1 1 64 64 LEU CA C 64 55.567 55.567 55.875 -0.308 18844 3280 1 9 . 1 1 64 64 LEU CB C 64 42.136 42.136 42.263 -0.127 18844 3281 1 9 . 1 1 64 64 LEU H H 64 7.214 7.214 7.622 -0.408 18844 3282 1 9 . 1 1 65 65 LYS N N 65 114.830 114.830 113.727 1.103 18844 3283 1 9 . 1 1 65 65 LYS HA H 65 3.838 3.838 3.893 -0.055 18844 3284 1 9 . 1 1 65 65 LYS CA C 65 56.737 56.737 56.669 0.068 18844 3285 1 9 . 1 1 65 65 LYS CB C 65 29.307 29.307 29.169 0.138 18844 3286 1 9 . 1 1 65 65 LYS H H 65 7.642 7.642 7.671 -0.029 18844 3287 1 9 . 1 1 66 66 LEU N N 66 119.305 119.305 120.285 -0.980 18844 3288 1 9 . 1 1 66 66 LEU HA H 66 4.163 4.163 4.281 -0.118 18844 3289 1 9 . 1 1 66 66 LEU CA C 66 54.847 54.847 54.415 0.432 18844 3290 1 9 . 1 1 66 66 LEU CB C 66 42.712 42.712 42.927 -0.215 18844 3291 1 9 . 1 1 66 66 LEU H H 66 8.516 8.516 7.746 0.770 18844 3292 1 9 . 1 1 67 67 LYS N N 67 121.480 121.480 122.559 -1.079 18844 3293 1 9 . 1 1 67 67 LYS HA H 67 4.497 4.497 4.398 0.099 18844 3294 1 9 . 1 1 67 67 LYS CA C 67 54.152 54.152 55.452 -1.300 18844 3295 1 9 . 1 1 67 67 LYS CB C 67 31.999 31.999 32.230 -0.231 18844 3296 1 9 . 1 1 67 67 LYS H H 67 7.955 7.955 8.164 -0.209 18844 3297 1 9 . 1 1 68 68 PRO HA H 68 4.169 4.169 4.713 -0.544 18844 3298 1 9 . 1 1 68 68 PRO CA C 68 64.389 64.389 65.116 -0.727 18844 3299 1 9 . 1 1 68 68 PRO CB C 68 32.214 32.214 32.294 -0.080 18844 3300 1 9 . 1 1 69 69 ASN N N 69 115.414 115.414 115.520 -0.106 18844 3301 1 9 . 1 1 69 69 ASN HA H 69 3.962 3.962 4.586 -0.624 18844 3302 1 9 . 1 1 69 69 ASN CA C 69 55.021 55.021 53.594 1.427 18844 3303 1 9 . 1 1 69 69 ASN CB C 69 37.047 37.047 37.161 -0.114 18844 3304 1 9 . 1 1 69 69 ASN H H 69 8.966 8.966 8.252 0.714 18844 3305 1 9 . 1 1 70 70 THR N N 70 115.426 115.426 116.072 -0.646 18844 3306 1 9 . 1 1 70 70 THR HA H 70 3.949 3.949 4.052 -0.103 18844 3307 1 9 . 1 1 70 70 THR CA C 70 65.247 65.247 63.788 1.459 18844 3308 1 9 . 1 1 70 70 THR CB C 70 70.132 70.132 68.905 1.227 18844 3309 1 9 . 1 1 70 70 THR H H 70 7.712 7.712 7.729 -0.017 18844 3310 1 9 . 1 1 71 71 LYS N N 71 124.603 124.603 126.149 -1.546 18844 3311 1 9 . 1 1 71 71 LYS HA H 71 5.179 5.179 5.063 0.116 18844 3312 1 9 . 1 1 71 71 LYS CA C 71 55.340 55.340 55.575 -0.235 18844 3313 1 9 . 1 1 71 71 LYS CB C 71 33.729 33.729 34.215 -0.486 18844 3314 1 9 . 1 1 71 71 LYS H H 71 8.284 8.284 8.400 -0.116 18844 3315 1 9 . 1 1 72 72 ILE N N 72 123.505 123.505 123.516 -0.011 18844 3316 1 9 . 1 1 72 72 ILE HA H 72 4.511 4.511 4.391 0.120 18844 3317 1 9 . 1 1 72 72 ILE CA C 72 59.636 59.636 59.384 0.252 18844 3318 1 9 . 1 1 72 72 ILE CB C 72 40.827 40.827 39.608 1.219 18844 3319 1 9 . 1 1 72 72 ILE H H 72 9.142 9.142 8.465 0.677 18844 3320 1 9 . 1 1 73 73 MET N N 73 123.090 123.090 125.554 -2.464 18844 3321 1 9 . 1 1 73 73 MET HA H 73 5.122 5.122 5.243 -0.121 18844 3322 1 9 . 1 1 73 73 MET CA C 73 54.949 54.949 54.995 -0.046 18844 3323 1 9 . 1 1 73 73 MET CB C 73 35.143 35.143 35.335 -0.192 18844 3324 1 9 . 1 1 73 73 MET H H 73 8.556 8.556 8.872 -0.316 18844 3325 1 9 . 1 1 74 74 MET N N 74 124.481 124.481 121.083 3.398 18844 3326 1 9 . 1 1 74 74 MET HA H 74 5.288 5.288 4.945 0.343 18844 3327 1 9 . 1 1 74 74 MET CA C 74 54.862 54.862 55.061 -0.199 18844 3328 1 9 . 1 1 74 74 MET CB C 74 36.294 36.294 35.617 0.677 18844 3329 1 9 . 1 1 74 74 MET H H 74 8.924 8.924 8.680 0.244 18844 3330 1 9 . 1 1 75 75 MET N N 75 123.963 123.963 123.417 0.546 18844 3331 1 9 . 1 1 75 75 MET HA H 75 5.093 5.093 5.061 0.032 18844 3332 1 9 . 1 1 75 75 MET CA C 75 54.265 54.265 54.328 -0.063 18844 3333 1 9 . 1 1 75 75 MET CB C 75 35.566 35.566 34.210 1.356 18844 3334 1 9 . 1 1 75 75 MET H H 75 9.112 9.112 8.487 0.625 18844 3335 1 9 . 1 1 76 76 GLY N N 76 109.773 109.773 110.680 -0.907 18844 3336 1 9 . 1 1 76 76 GLY CA C 76 45.901 45.901 45.230 0.671 18844 3337 1 9 . 1 1 76 76 GLY H H 76 8.711 8.711 8.814 -0.103 18844 3338 1 9 . 1 1 77 77 THR N N 77 113.345 113.345 114.656 -1.311 18844 3339 1 9 . 1 1 77 77 THR HA H 77 4.787 4.787 4.642 0.145 18844 3340 1 9 . 1 1 77 77 THR CA C 77 60.728 60.728 60.635 0.093 18844 3341 1 9 . 1 1 77 77 THR CB C 77 71.481 71.481 70.389 1.092 18844 3342 1 9 . 1 1 77 77 THR H H 77 8.280 8.280 8.312 -0.032 18844 3343 1 9 . 1 1 78 78 ARG N N 78 122.844 122.844 124.965 -2.121 18844 3344 1 9 . 1 1 78 78 ARG HA H 78 4.148 4.148 4.202 -0.054 18844 3345 1 9 . 1 1 78 78 ARG CA C 78 56.881 56.881 56.648 0.233 18844 3346 1 9 . 1 1 78 78 ARG CB C 78 31.607 31.607 30.794 0.813 18844 3347 1 9 . 1 1 78 78 ARG H H 78 8.852 8.852 8.415 0.437 18844 3348 1 9 . 1 1 79 79 GLU N N 79 122.181 122.181 121.285 0.896 18844 3349 1 9 . 1 1 79 79 GLU HA H 79 4.206 4.206 4.345 -0.139 18844 3350 1 9 . 1 1 79 79 GLU CA C 79 57.007 57.007 56.314 0.693 18844 3351 1 9 . 1 1 79 79 GLU CB C 79 30.764 30.764 29.754 1.010 18844 3352 1 9 . 1 1 79 79 GLU H H 79 8.300 8.300 8.601 -0.301 18844 3353 1 9 . 1 1 80 80 GLU N N 80 126.965 126.965 122.887 4.078 18844 3354 1 9 . 1 1 80 80 GLU HA H 80 4.049 4.049 4.197 -0.148 18844 3355 1 9 . 1 1 80 80 GLU CA C 80 58.328 58.328 57.809 0.519 18844 3356 1 9 . 1 1 80 80 GLU CB C 80 31.287 31.287 29.927 1.360 18844 3357 1 9 . 1 1 80 80 GLU H H 80 8.015 8.015 8.614 -0.599 18844 3358 1 10 . 1 1 2 2 ALA N N 2 126.014 126.014 123.448 2.566 18844 3359 1 10 . 1 1 2 2 ALA HA H 2 4.033 4.033 4.592 -0.559 18844 3360 1 10 . 1 1 2 2 ALA CA C 2 53.215 53.215 51.422 1.792 18844 3361 1 10 . 1 1 2 2 ALA CB C 2 19.376 19.376 20.020 -0.644 18844 3362 1 10 . 1 1 2 2 ALA H H 2 8.410 8.410 8.329 0.081 18844 3363 1 10 . 1 1 3 3 LEU N N 3 123.255 123.255 122.707 0.548 18844 3364 1 10 . 1 1 3 3 LEU HA H 3 4.646 4.646 4.686 -0.040 18844 3365 1 10 . 1 1 3 3 LEU CA C 3 51.817 51.817 51.893 -0.076 18844 3366 1 10 . 1 1 3 3 LEU CB C 3 43.557 43.557 43.020 0.537 18844 3367 1 10 . 1 1 3 3 LEU H H 3 8.271 8.271 8.392 -0.121 18844 3368 1 10 . 1 1 4 4 PRO HA H 4 4.606 4.606 4.794 -0.188 18844 3369 1 10 . 1 1 4 4 PRO CA C 4 63.240 63.240 62.509 0.731 18844 3370 1 10 . 1 1 4 4 PRO CB C 4 32.070 32.070 33.091 -1.021 18844 3371 1 10 . 1 1 5 5 ILE N N 5 122.161 122.161 118.194 3.967 18844 3372 1 10 . 1 1 5 5 ILE HA H 5 4.359 4.359 4.825 -0.466 18844 3373 1 10 . 1 1 5 5 ILE CA C 5 60.833 60.833 60.471 0.362 18844 3374 1 10 . 1 1 5 5 ILE CB C 5 43.943 43.943 42.782 1.161 18844 3375 1 10 . 1 1 5 5 ILE H H 5 8.317 8.317 7.716 0.601 18844 3376 1 10 . 1 1 6 6 ILE N N 6 125.649 125.649 125.793 -0.144 18844 3377 1 10 . 1 1 6 6 ILE HA H 6 4.921 4.921 4.757 0.164 18844 3378 1 10 . 1 1 6 6 ILE CA C 6 59.865 59.865 60.629 -0.764 18844 3379 1 10 . 1 1 6 6 ILE CB C 6 40.264 40.264 40.285 -0.021 18844 3380 1 10 . 1 1 6 6 ILE H H 6 8.408 8.408 8.409 -0.001 18844 3381 1 10 . 1 1 7 7 VAL N N 7 125.741 125.741 126.141 -0.400 18844 3382 1 10 . 1 1 7 7 VAL HA H 7 4.930 4.930 4.736 0.194 18844 3383 1 10 . 1 1 7 7 VAL CA C 7 60.363 60.363 60.219 0.144 18844 3384 1 10 . 1 1 7 7 VAL CB C 7 34.759 34.759 34.417 0.342 18844 3385 1 10 . 1 1 7 7 VAL H H 7 9.155 9.155 9.165 -0.010 18844 3386 1 10 . 1 1 8 8 LYS N N 8 128.098 128.098 128.433 -0.335 18844 3387 1 10 . 1 1 8 8 LYS HA H 8 5.232 5.232 5.194 0.038 18844 3388 1 10 . 1 1 8 8 LYS CA C 8 55.275 55.275 54.779 0.496 18844 3389 1 10 . 1 1 8 8 LYS CB C 8 34.935 34.935 33.764 1.171 18844 3390 1 10 . 1 1 8 8 LYS H H 8 9.174 9.174 8.742 0.432 18844 3391 1 10 . 1 1 9 9 TRP N N 9 125.952 125.952 128.511 -2.559 18844 3392 1 10 . 1 1 9 9 TRP HA H 9 5.185 5.185 4.872 0.313 18844 3393 1 10 . 1 1 9 9 TRP CA C 9 57.734 57.734 56.748 0.986 18844 3394 1 10 . 1 1 9 9 TRP CB C 9 31.561 31.561 30.874 0.687 18844 3395 1 10 . 1 1 9 9 TRP H H 9 8.844 8.844 8.461 0.383 18844 3396 1 10 . 1 1 10 10 GLY N N 10 117.044 117.044 116.147 0.897 18844 3397 1 10 . 1 1 10 10 GLY CA C 10 47.101 47.101 45.191 1.910 18844 3398 1 10 . 1 1 10 10 GLY H H 10 8.683 8.683 8.562 0.121 18844 3399 1 10 . 1 1 11 11 GLY N N 11 109.364 109.364 110.173 -0.809 18844 3400 1 10 . 1 1 11 11 GLY CA C 11 45.460 45.460 45.322 0.138 18844 3401 1 10 . 1 1 11 11 GLY H H 11 8.600 8.600 8.259 0.341 18844 3402 1 10 . 1 1 12 12 GLN N N 12 119.388 119.388 118.982 0.406 18844 3403 1 10 . 1 1 12 12 GLN HA H 12 4.483 4.483 4.581 -0.098 18844 3404 1 10 . 1 1 12 12 GLN CA C 12 54.502 54.502 54.631 -0.129 18844 3405 1 10 . 1 1 12 12 GLN CB C 12 32.178 32.178 32.203 -0.025 18844 3406 1 10 . 1 1 12 12 GLN H H 12 7.865 7.865 7.827 0.038 18844 3407 1 10 . 1 1 13 13 GLU N N 13 119.756 119.756 118.615 1.141 18844 3408 1 10 . 1 1 13 13 GLU HA H 13 4.880 4.880 4.863 0.017 18844 3409 1 10 . 1 1 13 13 GLU CA C 13 55.655 55.655 55.401 0.254 18844 3410 1 10 . 1 1 13 13 GLU CB C 13 32.306 32.306 32.490 -0.184 18844 3411 1 10 . 1 1 13 13 GLU H H 13 8.172 8.172 8.361 -0.189 18844 3412 1 10 . 1 1 14 14 TYR N N 14 122.812 122.812 121.910 0.902 18844 3413 1 10 . 1 1 14 14 TYR HA H 14 4.601 4.601 4.799 -0.198 18844 3414 1 10 . 1 1 14 14 TYR CA C 14 57.246 57.246 56.862 0.384 18844 3415 1 10 . 1 1 14 14 TYR CB C 14 40.544 40.544 41.362 -0.818 18844 3416 1 10 . 1 1 14 14 TYR H H 14 9.381 9.381 8.865 0.516 18844 3417 1 10 . 1 1 15 15 SER N N 15 118.339 118.339 118.742 -0.403 18844 3418 1 10 . 1 1 15 15 SER HA H 15 4.747 4.747 4.694 0.053 18844 3419 1 10 . 1 1 15 15 SER CA C 15 58.099 58.099 58.051 0.048 18844 3420 1 10 . 1 1 15 15 SER CB C 15 63.394 63.394 63.890 -0.496 18844 3421 1 10 . 1 1 15 15 SER H H 15 8.802 8.802 8.826 -0.024 18844 3422 1 10 . 1 1 16 16 VAL N N 16 128.611 128.611 125.881 2.730 18844 3423 1 10 . 1 1 16 16 VAL HA H 16 4.205 4.205 4.418 -0.213 18844 3424 1 10 . 1 1 16 16 VAL CA C 16 62.344 62.344 62.332 0.012 18844 3425 1 10 . 1 1 16 16 VAL CB C 16 32.528 32.528 32.962 -0.434 18844 3426 1 10 . 1 1 16 16 VAL H H 16 9.005 9.005 8.726 0.279 18844 3427 1 10 . 1 1 17 17 THR N N 17 116.170 116.170 118.412 -2.242 18844 3428 1 10 . 1 1 17 17 THR HA H 17 4.533 4.533 4.702 -0.169 18844 3429 1 10 . 1 1 17 17 THR CA C 17 62.331 62.331 61.383 0.948 18844 3430 1 10 . 1 1 17 17 THR CB C 17 70.040 70.040 68.605 1.435 18844 3431 1 10 . 1 1 17 17 THR H H 17 8.746 8.746 8.676 0.070 18844 3432 1 10 . 1 1 18 18 THR N N 18 107.517 107.517 116.022 -8.505 18844 3433 1 10 . 1 1 18 18 THR HA H 18 4.173 4.173 4.153 0.020 18844 3434 1 10 . 1 1 18 18 THR CA C 18 61.772 61.772 62.792 -1.020 18844 3435 1 10 . 1 1 18 18 THR CB C 18 69.121 69.121 68.796 0.325 18844 3436 1 10 . 1 1 18 18 THR H H 18 6.812 6.812 8.158 -1.346 18844 3437 1 10 . 1 1 19 19 LEU N N 19 123.019 123.019 123.095 -0.076 18844 3438 1 10 . 1 1 19 19 LEU HA H 19 4.583 4.583 4.468 0.115 18844 3439 1 10 . 1 1 19 19 LEU CA C 19 54.180 54.180 54.565 -0.385 18844 3440 1 10 . 1 1 19 19 LEU CB C 19 42.711 42.711 42.708 0.003 18844 3441 1 10 . 1 1 19 19 LEU H H 19 8.388 8.388 7.674 0.714 18844 3442 1 10 . 1 1 20 20 SER N N 20 117.870 117.870 115.432 2.438 18844 3443 1 10 . 1 1 20 20 SER HA H 20 4.863 4.863 4.939 -0.076 18844 3444 1 10 . 1 1 20 20 SER CA C 20 56.832 56.832 56.891 -0.059 18844 3445 1 10 . 1 1 20 20 SER CB C 20 67.845 67.845 66.570 1.275 18844 3446 1 10 . 1 1 20 20 SER H H 20 9.714 9.714 8.996 0.718 18844 3447 1 10 . 1 1 21 21 GLU N N 21 116.130 116.130 122.415 -6.285 18844 3448 1 10 . 1 1 21 21 GLU HA H 21 3.740 3.740 4.015 -0.275 18844 3449 1 10 . 1 1 21 21 GLU CA C 21 59.134 59.134 59.596 -0.462 18844 3450 1 10 . 1 1 21 21 GLU CB C 21 30.854 30.854 29.235 1.619 18844 3451 1 10 . 1 1 21 21 GLU H H 21 8.491 8.491 8.793 -0.302 18844 3452 1 10 . 1 1 22 22 ASP N N 22 115.741 115.741 117.845 -2.104 18844 3453 1 10 . 1 1 22 22 ASP HA H 22 4.650 4.650 4.595 0.055 18844 3454 1 10 . 1 1 22 22 ASP CA C 22 55.156 55.156 56.157 -1.000 18844 3455 1 10 . 1 1 22 22 ASP CB C 22 42.579 42.579 41.081 1.498 18844 3456 1 10 . 1 1 22 22 ASP H H 22 7.936 7.936 8.486 -0.550 18844 3457 1 10 . 1 1 23 23 ASP N N 23 119.945 119.945 118.584 1.361 18844 3458 1 10 . 1 1 23 23 ASP HA H 23 4.841 4.841 4.766 0.075 18844 3459 1 10 . 1 1 23 23 ASP CA C 23 55.223 55.223 54.318 0.905 18844 3460 1 10 . 1 1 23 23 ASP CB C 23 42.782 42.782 42.437 0.345 18844 3461 1 10 . 1 1 23 23 ASP H H 23 7.313 7.313 8.038 -0.725 18844 3462 1 10 . 1 1 24 24 THR N N 24 107.918 107.918 108.514 -0.596 18844 3463 1 10 . 1 1 24 24 THR HA H 24 5.328 5.328 4.795 0.533 18844 3464 1 10 . 1 1 24 24 THR CA C 24 60.989 60.989 60.424 0.565 18844 3465 1 10 . 1 1 24 24 THR CB C 24 74.287 74.287 71.957 2.330 18844 3466 1 10 . 1 1 24 24 THR H H 24 9.630 9.630 7.800 1.830 18844 3467 1 10 . 1 1 25 25 VAL N N 25 120.192 120.192 121.656 -1.464 18844 3468 1 10 . 1 1 25 25 VAL HA H 25 3.334 3.334 3.766 -0.432 18844 3469 1 10 . 1 1 25 25 VAL CA C 25 67.626 67.626 66.615 1.011 18844 3470 1 10 . 1 1 25 25 VAL CB C 25 32.149 32.149 31.379 0.770 18844 3471 1 10 . 1 1 25 25 VAL H H 25 8.260 8.260 8.782 -0.522 18844 3472 1 10 . 1 1 26 26 LEU N N 26 119.941 119.941 118.776 1.165 18844 3473 1 10 . 1 1 26 26 LEU HA H 26 3.872 3.872 3.997 -0.125 18844 3474 1 10 . 1 1 26 26 LEU CA C 26 58.592 58.592 58.544 0.048 18844 3475 1 10 . 1 1 26 26 LEU CB C 26 41.716 41.716 41.292 0.424 18844 3476 1 10 . 1 1 26 26 LEU H H 26 8.523 8.523 7.261 1.262 18844 3477 1 10 . 1 1 27 27 ASP N N 27 118.322 118.322 118.685 -0.363 18844 3478 1 10 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.439 -0.166 18844 3479 1 10 . 1 1 27 27 ASP CA C 27 58.663 58.663 57.076 1.587 18844 3480 1 10 . 1 1 27 27 ASP CB C 27 40.931 40.931 40.581 0.350 18844 3481 1 10 . 1 1 27 27 ASP H H 27 7.581 7.581 8.341 -0.760 18844 3482 1 10 . 1 1 28 28 LEU N N 28 122.021 122.021 120.569 1.452 18844 3483 1 10 . 1 1 28 28 LEU HA H 28 4.083 4.083 4.145 -0.062 18844 3484 1 10 . 1 1 28 28 LEU CA C 28 58.772 58.772 58.100 0.672 18844 3485 1 10 . 1 1 28 28 LEU CB C 28 41.225 41.225 42.318 -1.093 18844 3486 1 10 . 1 1 28 28 LEU H H 28 7.837 7.837 7.320 0.517 18844 3487 1 10 . 1 1 29 29 LYS N N 29 119.086 119.086 119.528 -0.442 18844 3488 1 10 . 1 1 29 29 LYS HA H 29 4.520 4.520 3.951 0.569 18844 3489 1 10 . 1 1 29 29 LYS CA C 29 59.787 59.787 60.528 -0.741 18844 3490 1 10 . 1 1 29 29 LYS CB C 29 34.297 34.297 32.132 2.165 18844 3491 1 10 . 1 1 29 29 LYS H H 29 8.467 8.467 8.503 -0.036 18844 3492 1 10 . 1 1 30 30 GLN N N 30 119.268 119.268 117.894 1.374 18844 3493 1 10 . 1 1 30 30 GLN HA H 30 3.932 3.932 4.047 -0.115 18844 3494 1 10 . 1 1 30 30 GLN CA C 30 59.663 59.663 58.623 1.040 18844 3495 1 10 . 1 1 30 30 GLN CB C 30 27.806 27.806 28.009 -0.203 18844 3496 1 10 . 1 1 30 30 GLN H H 30 9.049 9.049 8.072 0.977 18844 3497 1 10 . 1 1 31 31 PHE N N 31 121.690 121.690 120.277 1.413 18844 3498 1 10 . 1 1 31 31 PHE HA H 31 4.218 4.218 4.306 -0.088 18844 3499 1 10 . 1 1 31 31 PHE CA C 31 61.967 61.967 60.504 1.463 18844 3500 1 10 . 1 1 31 31 PHE CB C 31 39.374 39.374 39.636 -0.262 18844 3501 1 10 . 1 1 31 31 PHE H H 31 8.039 8.039 7.430 0.609 18844 3502 1 10 . 1 1 32 32 LEU N N 32 118.232 118.232 118.119 0.113 18844 3503 1 10 . 1 1 32 32 LEU HA H 32 3.637 3.637 3.953 -0.316 18844 3504 1 10 . 1 1 32 32 LEU CA C 32 57.708 57.708 58.171 -0.463 18844 3505 1 10 . 1 1 32 32 LEU CB C 32 41.270 41.270 41.292 -0.022 18844 3506 1 10 . 1 1 32 32 LEU H H 32 8.776 8.776 8.436 0.340 18844 3507 1 10 . 1 1 33 33 LYS N N 33 125.920 125.920 118.941 6.979 18844 3508 1 10 . 1 1 33 33 LYS HA H 33 3.802 3.802 3.870 -0.068 18844 3509 1 10 . 1 1 33 33 LYS CA C 33 60.116 60.116 59.108 1.008 18844 3510 1 10 . 1 1 33 33 LYS CB C 33 31.701 31.701 31.431 0.270 18844 3511 1 10 . 1 1 33 33 LYS H H 33 8.237 8.237 8.504 -0.267 18844 3512 1 10 . 1 1 34 34 THR N N 34 114.544 114.544 112.721 1.823 18844 3513 1 10 . 1 1 34 34 THR HA H 34 3.773 3.773 4.070 -0.297 18844 3514 1 10 . 1 1 34 34 THR CA C 34 65.749 65.749 63.909 1.840 18844 3515 1 10 . 1 1 34 34 THR CB C 34 68.620 68.620 68.740 -0.119 18844 3516 1 10 . 1 1 34 34 THR H H 34 7.281 7.281 7.092 0.189 18844 3517 1 10 . 1 1 35 35 LEU N N 35 117.590 117.590 118.417 -0.827 18844 3518 1 10 . 1 1 35 35 LEU HA H 35 4.018 4.018 4.091 -0.073 18844 3519 1 10 . 1 1 35 35 LEU CA C 35 57.015 57.015 56.885 0.130 18844 3520 1 10 . 1 1 35 35 LEU CB C 35 44.003 44.003 42.523 1.480 18844 3521 1 10 . 1 1 35 35 LEU H H 35 6.752 6.752 7.425 -0.673 18844 3522 1 10 . 1 1 36 36 THR N N 36 104.865 104.865 109.333 -4.468 18844 3523 1 10 . 1 1 36 36 THR HA H 36 3.967 3.967 4.425 -0.458 18844 3524 1 10 . 1 1 36 36 THR CA C 36 62.756 62.756 62.127 0.629 18844 3525 1 10 . 1 1 36 36 THR CB C 36 72.343 72.343 71.049 1.294 18844 3526 1 10 . 1 1 36 36 THR H H 36 7.675 7.675 7.585 0.090 18844 3527 1 10 . 1 1 37 37 GLY N N 37 109.795 109.795 109.467 0.328 18844 3528 1 10 . 1 1 37 37 GLY CA C 37 45.559 45.559 44.612 0.947 18844 3529 1 10 . 1 1 37 37 GLY H H 37 7.971 7.971 7.341 0.630 18844 3530 1 10 . 1 1 38 38 VAL N N 38 122.557 122.557 119.269 3.288 18844 3531 1 10 . 1 1 38 38 VAL HA H 38 3.638 3.638 4.011 -0.373 18844 3532 1 10 . 1 1 38 38 VAL CA C 38 62.437 62.437 59.899 2.538 18844 3533 1 10 . 1 1 38 38 VAL CB C 38 31.390 31.390 33.911 -2.521 18844 3534 1 10 . 1 1 38 38 VAL H H 38 7.533 7.533 7.483 0.050 18844 3535 1 10 . 1 1 39 39 LEU N N 39 127.828 127.828 122.977 4.851 18844 3536 1 10 . 1 1 39 39 LEU HA H 39 3.994 3.994 4.434 -0.440 18844 3537 1 10 . 1 1 39 39 LEU CA C 39 54.437 54.437 53.272 1.165 18844 3538 1 10 . 1 1 39 39 LEU CB C 39 40.557 40.557 40.197 0.360 18844 3539 1 10 . 1 1 39 39 LEU H H 39 8.634 8.634 8.286 0.348 18844 3540 1 10 . 1 1 40 40 PRO HA H 40 3.839 3.839 4.575 -0.736 18844 3541 1 10 . 1 1 40 40 PRO CA C 40 66.989 66.989 64.720 2.269 18844 3542 1 10 . 1 1 40 40 PRO CB C 40 32.322 32.322 31.975 0.347 18844 3543 1 10 . 1 1 41 41 GLU N N 41 114.752 114.752 117.965 -3.213 18844 3544 1 10 . 1 1 41 41 GLU HA H 41 4.071 4.071 4.080 -0.009 18844 3545 1 10 . 1 1 41 41 GLU CA C 41 58.938 58.938 58.613 0.325 18844 3546 1 10 . 1 1 41 41 GLU CB C 41 28.824 28.824 29.451 -0.627 18844 3547 1 10 . 1 1 41 41 GLU H H 41 9.746 9.746 8.643 1.103 18844 3548 1 10 . 1 1 42 42 ARG N N 42 118.145 118.145 115.982 2.163 18844 3549 1 10 . 1 1 42 42 ARG HA H 42 4.315 4.315 4.434 -0.119 18844 3550 1 10 . 1 1 42 42 ARG CA C 42 55.448 55.448 56.867 -1.419 18844 3551 1 10 . 1 1 42 42 ARG CB C 42 31.105 31.105 31.886 -0.781 18844 3552 1 10 . 1 1 42 42 ARG H H 42 7.938 7.938 7.575 0.363 18844 3553 1 10 . 1 1 43 43 GLN N N 43 118.250 118.250 117.797 0.453 18844 3554 1 10 . 1 1 43 43 GLN HA H 43 4.251 4.251 4.706 -0.455 18844 3555 1 10 . 1 1 43 43 GLN CA C 43 56.537 56.537 54.874 1.663 18844 3556 1 10 . 1 1 43 43 GLN CB C 43 30.992 30.992 31.270 -0.278 18844 3557 1 10 . 1 1 43 43 GLN H H 43 7.034 7.034 7.852 -0.818 18844 3558 1 10 . 1 1 44 44 LYS N N 44 122.693 122.693 120.631 2.062 18844 3559 1 10 . 1 1 44 44 LYS HA H 44 4.464 4.464 4.710 -0.246 18844 3560 1 10 . 1 1 44 44 LYS CA C 44 55.552 55.552 53.969 1.583 18844 3561 1 10 . 1 1 44 44 LYS CB C 44 34.325 34.325 34.908 -0.583 18844 3562 1 10 . 1 1 44 44 LYS H H 44 8.806 8.806 8.648 0.158 18844 3563 1 10 . 1 1 45 45 LEU N N 45 124.806 124.806 124.113 0.693 18844 3564 1 10 . 1 1 45 45 LEU HA H 45 4.943 4.943 4.295 0.648 18844 3565 1 10 . 1 1 45 45 LEU CA C 45 53.542 53.542 55.411 -1.869 18844 3566 1 10 . 1 1 45 45 LEU CB C 45 41.821 41.821 40.912 0.909 18844 3567 1 10 . 1 1 45 45 LEU H H 45 8.704 8.704 8.717 -0.013 18844 3568 1 10 . 1 1 46 46 LEU N N 46 124.709 124.709 125.768 -1.059 18844 3569 1 10 . 1 1 46 46 LEU HA H 46 4.358 4.358 4.435 -0.077 18844 3570 1 10 . 1 1 46 46 LEU CA C 46 55.759 55.759 57.182 -1.423 18844 3571 1 10 . 1 1 46 46 LEU CB C 46 42.526 42.526 42.564 -0.038 18844 3572 1 10 . 1 1 46 46 LEU H H 46 8.751 8.751 8.037 0.714 18844 3573 1 10 . 1 1 47 47 GLY N N 47 109.276 109.276 107.739 1.537 18844 3574 1 10 . 1 1 47 47 GLY CA C 47 45.560 45.560 44.915 0.645 18844 3575 1 10 . 1 1 47 47 GLY H H 47 8.300 8.300 8.426 -0.126 18844 3576 1 10 . 1 1 48 48 LEU N N 48 119.707 119.707 116.582 3.125 18844 3577 1 10 . 1 1 48 48 LEU HA H 48 4.590 4.590 4.236 0.354 18844 3578 1 10 . 1 1 48 48 LEU CA C 48 53.945 53.945 56.259 -2.314 18844 3579 1 10 . 1 1 48 48 LEU CB C 48 41.414 41.414 42.197 -0.783 18844 3580 1 10 . 1 1 48 48 LEU H H 48 7.581 7.581 7.379 0.202 18844 3581 1 10 . 1 1 49 49 LYS N N 49 124.527 124.527 117.633 6.894 18844 3582 1 10 . 1 1 49 49 LYS HA H 49 4.852 4.852 4.558 0.294 18844 3583 1 10 . 1 1 49 49 LYS CA C 49 55.663 55.663 54.694 0.969 18844 3584 1 10 . 1 1 49 49 LYS CB C 49 37.581 37.581 34.742 2.838 18844 3585 1 10 . 1 1 49 49 LYS H H 49 8.606 8.606 7.233 1.373 18844 3586 1 10 . 1 1 50 50 VAL N N 50 119.184 119.184 121.209 -2.025 18844 3587 1 10 . 1 1 50 50 VAL HA H 50 4.113 4.113 4.310 -0.197 18844 3588 1 10 . 1 1 50 50 VAL CA C 50 61.865 61.865 61.034 0.831 18844 3589 1 10 . 1 1 50 50 VAL CB C 50 34.734 34.734 35.248 -0.514 18844 3590 1 10 . 1 1 50 50 VAL H H 50 8.799 8.799 8.399 0.400 18844 3591 1 10 . 1 1 51 51 LYS N N 51 127.069 127.069 126.650 0.419 18844 3592 1 10 . 1 1 51 51 LYS HA H 51 3.824 3.824 3.957 -0.133 18844 3593 1 10 . 1 1 51 51 LYS CA C 51 57.407 57.407 57.050 0.358 18844 3594 1 10 . 1 1 51 51 LYS CB C 51 30.655 30.655 30.763 -0.108 18844 3595 1 10 . 1 1 51 51 LYS H H 51 9.451 9.451 9.153 0.298 18844 3596 1 10 . 1 1 52 52 GLY N N 52 102.671 102.671 103.633 -0.962 18844 3597 1 10 . 1 1 52 52 GLY CA C 52 45.810 45.810 45.110 0.700 18844 3598 1 10 . 1 1 52 52 GLY H H 52 8.512 8.512 8.189 0.323 18844 3599 1 10 . 1 1 53 53 LYS N N 53 121.307 121.307 121.845 -0.538 18844 3600 1 10 . 1 1 53 53 LYS HA H 53 4.829 4.829 4.649 0.180 18844 3601 1 10 . 1 1 53 53 LYS CA C 53 53.616 53.616 53.015 0.601 18844 3602 1 10 . 1 1 53 53 LYS CB C 53 33.940 33.940 32.613 1.327 18844 3603 1 10 . 1 1 53 53 LYS H H 53 7.781 7.781 7.826 -0.045 18844 3604 1 10 . 1 1 54 54 PRO HA H 54 4.376 4.376 4.301 0.075 18844 3605 1 10 . 1 1 54 54 PRO CA C 54 63.817 63.817 64.076 -0.259 18844 3606 1 10 . 1 1 54 54 PRO CB C 54 32.151 32.151 31.887 0.264 18844 3607 1 10 . 1 1 55 55 ALA N N 55 125.654 125.654 120.016 5.638 18844 3608 1 10 . 1 1 55 55 ALA HA H 55 4.138 4.138 3.957 0.181 18844 3609 1 10 . 1 1 55 55 ALA CA C 55 52.664 52.664 52.742 -0.078 18844 3610 1 10 . 1 1 55 55 ALA CB C 55 20.044 20.044 17.731 2.313 18844 3611 1 10 . 1 1 55 55 ALA H H 55 8.114 8.114 7.980 0.134 18844 3612 1 10 . 1 1 56 56 GLU N N 56 122.313 122.313 118.501 3.812 18844 3613 1 10 . 1 1 56 56 GLU HA H 56 4.215 4.215 4.023 0.192 18844 3614 1 10 . 1 1 56 56 GLU CA C 56 56.089 56.089 59.274 -3.185 18844 3615 1 10 . 1 1 56 56 GLU CB C 56 31.086 31.086 30.092 0.994 18844 3616 1 10 . 1 1 56 56 GLU H H 56 8.179 8.179 8.686 -0.507 18844 3617 1 10 . 1 1 57 57 ASN N N 57 115.140 115.140 109.851 5.289 18844 3618 1 10 . 1 1 57 57 ASN HA H 57 4.229 4.229 4.708 -0.479 18844 3619 1 10 . 1 1 57 57 ASN CA C 57 55.199 55.199 53.913 1.286 18844 3620 1 10 . 1 1 57 57 ASN CB C 57 39.227 39.227 38.462 0.765 18844 3621 1 10 . 1 1 57 57 ASN H H 57 8.504 8.504 7.981 0.523 18844 3622 1 10 . 1 1 58 58 ASP N N 58 112.832 112.832 119.889 -7.057 18844 3623 1 10 . 1 1 58 58 ASP HA H 58 4.488 4.488 4.517 -0.029 18844 3624 1 10 . 1 1 58 58 ASP CA C 58 53.608 53.608 55.120 -1.512 18844 3625 1 10 . 1 1 58 58 ASP CB C 58 40.304 40.304 40.501 -0.196 18844 3626 1 10 . 1 1 58 58 ASP H H 58 8.198 8.198 8.507 -0.309 18844 3627 1 10 . 1 1 59 59 VAL N N 59 122.073 122.073 119.736 2.337 18844 3628 1 10 . 1 1 59 59 VAL HA H 59 3.593 3.593 4.010 -0.417 18844 3629 1 10 . 1 1 59 59 VAL CA C 59 63.840 63.840 62.090 1.750 18844 3630 1 10 . 1 1 59 59 VAL CB C 59 32.322 32.322 32.390 -0.068 18844 3631 1 10 . 1 1 59 59 VAL H H 59 7.353 7.353 7.598 -0.245 18844 3632 1 10 . 1 1 60 60 LYS N N 60 125.064 125.064 124.309 0.755 18844 3633 1 10 . 1 1 60 60 LYS HA H 60 4.447 4.447 4.556 -0.109 18844 3634 1 10 . 1 1 60 60 LYS CA C 60 56.185 56.185 55.431 0.754 18844 3635 1 10 . 1 1 60 60 LYS CB C 60 33.105 33.105 33.724 -0.619 18844 3636 1 10 . 1 1 60 60 LYS H H 60 8.339 8.339 8.241 0.098 18844 3637 1 10 . 1 1 61 61 LEU N N 61 121.612 121.612 121.907 -0.295 18844 3638 1 10 . 1 1 61 61 LEU HA H 61 3.776 3.776 3.989 -0.213 18844 3639 1 10 . 1 1 61 61 LEU CA C 61 57.987 57.987 58.406 -0.419 18844 3640 1 10 . 1 1 61 61 LEU CB C 61 40.832 40.832 41.731 -0.899 18844 3641 1 10 . 1 1 61 61 LEU H H 61 9.423 9.423 8.859 0.564 18844 3642 1 10 . 1 1 62 62 GLY N N 62 104.008 104.008 102.739 1.269 18844 3643 1 10 . 1 1 62 62 GLY CA C 62 46.772 46.772 45.449 1.323 18844 3644 1 10 . 1 1 62 62 GLY H H 62 9.107 9.107 8.284 0.823 18844 3645 1 10 . 1 1 63 63 ALA N N 63 122.025 122.025 123.319 -1.294 18844 3646 1 10 . 1 1 63 63 ALA HA H 63 4.273 4.273 4.400 -0.127 18844 3647 1 10 . 1 1 63 63 ALA CA C 63 53.421 53.421 53.739 -0.318 18844 3648 1 10 . 1 1 63 63 ALA CB C 63 18.816 18.816 18.822 -0.006 18844 3649 1 10 . 1 1 63 63 ALA H H 63 7.755 7.755 7.553 0.202 18844 3650 1 10 . 1 1 64 64 LEU N N 64 115.454 115.454 116.210 -0.756 18844 3651 1 10 . 1 1 64 64 LEU HA H 64 4.068 4.068 4.233 -0.165 18844 3652 1 10 . 1 1 64 64 LEU CA C 64 55.567 55.567 55.661 -0.094 18844 3653 1 10 . 1 1 64 64 LEU CB C 64 42.136 42.136 42.334 -0.198 18844 3654 1 10 . 1 1 64 64 LEU H H 64 7.214 7.214 7.571 -0.357 18844 3655 1 10 . 1 1 65 65 LYS N N 65 114.830 114.830 113.741 1.089 18844 3656 1 10 . 1 1 65 65 LYS HA H 65 3.838 3.838 3.891 -0.053 18844 3657 1 10 . 1 1 65 65 LYS CA C 65 56.737 56.737 56.672 0.065 18844 3658 1 10 . 1 1 65 65 LYS CB C 65 29.307 29.307 29.141 0.166 18844 3659 1 10 . 1 1 65 65 LYS H H 65 7.642 7.642 7.564 0.078 18844 3660 1 10 . 1 1 66 66 LEU N N 66 119.305 119.305 120.618 -1.313 18844 3661 1 10 . 1 1 66 66 LEU HA H 66 4.163 4.163 4.303 -0.140 18844 3662 1 10 . 1 1 66 66 LEU CA C 66 54.847 54.847 54.406 0.441 18844 3663 1 10 . 1 1 66 66 LEU CB C 66 42.712 42.712 42.817 -0.105 18844 3664 1 10 . 1 1 66 66 LEU H H 66 8.516 8.516 7.675 0.841 18844 3665 1 10 . 1 1 67 67 LYS N N 67 121.480 121.480 122.705 -1.225 18844 3666 1 10 . 1 1 67 67 LYS HA H 67 4.497 4.497 4.409 0.088 18844 3667 1 10 . 1 1 67 67 LYS CA C 67 54.152 54.152 55.247 -1.095 18844 3668 1 10 . 1 1 67 67 LYS CB C 67 31.999 31.999 32.156 -0.157 18844 3669 1 10 . 1 1 67 67 LYS H H 67 7.955 7.955 8.162 -0.207 18844 3670 1 10 . 1 1 68 68 PRO HA H 68 4.169 4.169 4.707 -0.538 18844 3671 1 10 . 1 1 68 68 PRO CA C 68 64.389 64.389 65.141 -0.752 18844 3672 1 10 . 1 1 68 68 PRO CB C 68 32.214 32.214 32.414 -0.200 18844 3673 1 10 . 1 1 69 69 ASN N N 69 115.414 115.414 116.548 -1.134 18844 3674 1 10 . 1 1 69 69 ASN HA H 69 3.962 3.962 4.622 -0.660 18844 3675 1 10 . 1 1 69 69 ASN CA C 69 55.021 55.021 53.642 1.379 18844 3676 1 10 . 1 1 69 69 ASN CB C 69 37.047 37.047 38.098 -1.051 18844 3677 1 10 . 1 1 69 69 ASN H H 69 8.966 8.966 8.145 0.821 18844 3678 1 10 . 1 1 70 70 THR N N 70 115.426 115.426 117.333 -1.907 18844 3679 1 10 . 1 1 70 70 THR HA H 70 3.949 3.949 4.102 -0.153 18844 3680 1 10 . 1 1 70 70 THR CA C 70 65.247 65.247 64.365 0.882 18844 3681 1 10 . 1 1 70 70 THR CB C 70 70.132 70.132 69.229 0.903 18844 3682 1 10 . 1 1 70 70 THR H H 70 7.712 7.712 7.684 0.028 18844 3683 1 10 . 1 1 71 71 LYS N N 71 124.603 124.603 125.482 -0.879 18844 3684 1 10 . 1 1 71 71 LYS HA H 71 5.179 5.179 4.943 0.236 18844 3685 1 10 . 1 1 71 71 LYS CA C 71 55.340 55.340 55.554 -0.214 18844 3686 1 10 . 1 1 71 71 LYS CB C 71 33.729 33.729 33.841 -0.112 18844 3687 1 10 . 1 1 71 71 LYS H H 71 8.284 8.284 8.200 0.084 18844 3688 1 10 . 1 1 72 72 ILE N N 72 123.505 123.505 123.572 -0.067 18844 3689 1 10 . 1 1 72 72 ILE HA H 72 4.511 4.511 4.375 0.136 18844 3690 1 10 . 1 1 72 72 ILE CA C 72 59.636 59.636 59.214 0.422 18844 3691 1 10 . 1 1 72 72 ILE CB C 72 40.827 40.827 39.405 1.422 18844 3692 1 10 . 1 1 72 72 ILE H H 72 9.142 9.142 8.453 0.689 18844 3693 1 10 . 1 1 73 73 MET N N 73 123.090 123.090 125.696 -2.606 18844 3694 1 10 . 1 1 73 73 MET HA H 73 5.122 5.122 4.950 0.172 18844 3695 1 10 . 1 1 73 73 MET CA C 73 54.949 54.949 55.274 -0.325 18844 3696 1 10 . 1 1 73 73 MET CB C 73 35.143 35.143 35.139 0.004 18844 3697 1 10 . 1 1 73 73 MET H H 73 8.556 8.556 8.892 -0.336 18844 3698 1 10 . 1 1 74 74 MET N N 74 124.481 124.481 120.777 3.704 18844 3699 1 10 . 1 1 74 74 MET HA H 74 5.288 5.288 4.843 0.445 18844 3700 1 10 . 1 1 74 74 MET CA C 74 54.862 54.862 55.037 -0.175 18844 3701 1 10 . 1 1 74 74 MET CB C 74 36.294 36.294 36.189 0.105 18844 3702 1 10 . 1 1 74 74 MET H H 74 8.924 8.924 8.707 0.217 18844 3703 1 10 . 1 1 75 75 MET N N 75 123.963 123.963 122.812 1.151 18844 3704 1 10 . 1 1 75 75 MET HA H 75 5.093 5.093 5.034 0.059 18844 3705 1 10 . 1 1 75 75 MET CA C 75 54.265 54.265 54.474 -0.209 18844 3706 1 10 . 1 1 75 75 MET CB C 75 35.566 35.566 35.127 0.439 18844 3707 1 10 . 1 1 75 75 MET H H 75 9.112 9.112 8.321 0.791 18844 3708 1 10 . 1 1 76 76 GLY N N 76 109.773 109.773 110.865 -1.092 18844 3709 1 10 . 1 1 76 76 GLY CA C 76 45.901 45.901 45.274 0.627 18844 3710 1 10 . 1 1 76 76 GLY H H 76 8.711 8.711 8.711 -0.000 18844 3711 1 10 . 1 1 77 77 THR N N 77 113.345 113.345 115.389 -2.044 18844 3712 1 10 . 1 1 77 77 THR HA H 77 4.787 4.787 4.674 0.113 18844 3713 1 10 . 1 1 77 77 THR CA C 77 60.728 60.728 59.610 1.118 18844 3714 1 10 . 1 1 77 77 THR CB C 77 71.481 71.481 69.951 1.530 18844 3715 1 10 . 1 1 77 77 THR H H 77 8.280 8.280 8.255 0.025 18844 3716 1 10 . 1 1 78 78 ARG N N 78 122.844 122.844 127.175 -4.331 18844 3717 1 10 . 1 1 78 78 ARG HA H 78 4.148 4.148 4.533 -0.385 18844 3718 1 10 . 1 1 78 78 ARG CA C 78 56.881 56.881 54.908 1.973 18844 3719 1 10 . 1 1 78 78 ARG CB C 78 31.607 31.607 31.168 0.439 18844 3720 1 10 . 1 1 78 78 ARG H H 78 8.852 8.852 8.484 0.368 18844 3721 1 10 . 1 1 79 79 GLU N N 79 122.181 122.181 121.314 0.867 18844 3722 1 10 . 1 1 79 79 GLU HA H 79 4.206 4.206 4.139 0.067 18844 3723 1 10 . 1 1 79 79 GLU CA C 79 57.007 57.007 56.420 0.587 18844 3724 1 10 . 1 1 79 79 GLU CB C 79 30.764 30.764 30.232 0.532 18844 3725 1 10 . 1 1 79 79 GLU H H 79 8.300 8.300 8.467 -0.167 18844 3726 1 10 . 1 1 80 80 GLU N N 80 126.965 126.965 121.479 5.486 18844 3727 1 10 . 1 1 80 80 GLU HA H 80 4.049 4.049 4.380 -0.331 18844 3728 1 10 . 1 1 80 80 GLU CA C 80 58.328 58.328 55.983 2.345 18844 3729 1 10 . 1 1 80 80 GLU CB C 80 31.287 31.287 29.875 1.412 18844 3730 1 10 . 1 1 80 80 GLU H H 80 8.015 8.015 8.630 -0.615 18844 3731 1 11 . 1 1 2 2 ALA N N 2 126.014 126.014 123.380 2.634 18844 3732 1 11 . 1 1 2 2 ALA HA H 2 4.033 4.033 4.581 -0.548 18844 3733 1 11 . 1 1 2 2 ALA CA C 2 53.215 53.215 51.468 1.747 18844 3734 1 11 . 1 1 2 2 ALA CB C 2 19.376 19.376 19.867 -0.491 18844 3735 1 11 . 1 1 2 2 ALA H H 2 8.410 8.410 8.325 0.085 18844 3736 1 11 . 1 1 3 3 LEU N N 3 123.255 123.255 123.963 -0.708 18844 3737 1 11 . 1 1 3 3 LEU HA H 3 4.646 4.646 4.617 0.029 18844 3738 1 11 . 1 1 3 3 LEU CA C 3 51.817 51.817 52.230 -0.413 18844 3739 1 11 . 1 1 3 3 LEU CB C 3 43.557 43.557 43.288 0.269 18844 3740 1 11 . 1 1 3 3 LEU H H 3 8.271 8.271 8.503 -0.232 18844 3741 1 11 . 1 1 4 4 PRO HA H 4 4.606 4.606 4.536 0.070 18844 3742 1 11 . 1 1 4 4 PRO CA C 4 63.240 63.240 62.413 0.827 18844 3743 1 11 . 1 1 4 4 PRO CB C 4 32.070 32.070 32.704 -0.634 18844 3744 1 11 . 1 1 5 5 ILE N N 5 122.161 122.161 118.053 4.108 18844 3745 1 11 . 1 1 5 5 ILE HA H 5 4.359 4.359 4.855 -0.496 18844 3746 1 11 . 1 1 5 5 ILE CA C 5 60.833 60.833 60.465 0.368 18844 3747 1 11 . 1 1 5 5 ILE CB C 5 43.943 43.943 42.751 1.192 18844 3748 1 11 . 1 1 5 5 ILE H H 5 8.317 8.317 7.696 0.621 18844 3749 1 11 . 1 1 6 6 ILE N N 6 125.649 125.649 126.198 -0.549 18844 3750 1 11 . 1 1 6 6 ILE HA H 6 4.921 4.921 4.759 0.162 18844 3751 1 11 . 1 1 6 6 ILE CA C 6 59.865 59.865 60.860 -0.995 18844 3752 1 11 . 1 1 6 6 ILE CB C 6 40.264 40.264 40.409 -0.145 18844 3753 1 11 . 1 1 6 6 ILE H H 6 8.408 8.408 8.530 -0.122 18844 3754 1 11 . 1 1 7 7 VAL N N 7 125.741 125.741 126.995 -1.254 18844 3755 1 11 . 1 1 7 7 VAL HA H 7 4.930 4.930 4.739 0.191 18844 3756 1 11 . 1 1 7 7 VAL CA C 7 60.363 60.363 59.537 0.826 18844 3757 1 11 . 1 1 7 7 VAL CB C 7 34.759 34.759 34.984 -0.225 18844 3758 1 11 . 1 1 7 7 VAL H H 7 9.155 9.155 9.138 0.017 18844 3759 1 11 . 1 1 8 8 LYS N N 8 128.098 128.098 128.748 -0.650 18844 3760 1 11 . 1 1 8 8 LYS HA H 8 5.232 5.232 5.206 0.026 18844 3761 1 11 . 1 1 8 8 LYS CA C 8 55.275 55.275 54.755 0.520 18844 3762 1 11 . 1 1 8 8 LYS CB C 8 34.935 34.935 33.756 1.179 18844 3763 1 11 . 1 1 8 8 LYS H H 8 9.174 9.174 8.849 0.325 18844 3764 1 11 . 1 1 9 9 TRP N N 9 125.952 125.952 128.451 -2.499 18844 3765 1 11 . 1 1 9 9 TRP HA H 9 5.185 5.185 4.898 0.287 18844 3766 1 11 . 1 1 9 9 TRP CA C 9 57.734 57.734 56.840 0.894 18844 3767 1 11 . 1 1 9 9 TRP CB C 9 31.561 31.561 31.134 0.427 18844 3768 1 11 . 1 1 9 9 TRP H H 9 8.844 8.844 8.410 0.434 18844 3769 1 11 . 1 1 10 10 GLY N N 10 117.044 117.044 116.393 0.651 18844 3770 1 11 . 1 1 10 10 GLY CA C 10 47.101 47.101 44.925 2.176 18844 3771 1 11 . 1 1 10 10 GLY H H 10 8.683 8.683 8.479 0.204 18844 3772 1 11 . 1 1 11 11 GLY N N 11 109.364 109.364 109.269 0.095 18844 3773 1 11 . 1 1 11 11 GLY CA C 11 45.460 45.460 45.431 0.029 18844 3774 1 11 . 1 1 11 11 GLY H H 11 8.600 8.600 8.132 0.468 18844 3775 1 11 . 1 1 12 12 GLN N N 12 119.388 119.388 118.885 0.503 18844 3776 1 11 . 1 1 12 12 GLN HA H 12 4.483 4.483 4.642 -0.159 18844 3777 1 11 . 1 1 12 12 GLN CA C 12 54.502 54.502 54.549 -0.047 18844 3778 1 11 . 1 1 12 12 GLN CB C 12 32.178 32.178 32.078 0.100 18844 3779 1 11 . 1 1 12 12 GLN H H 12 7.865 7.865 7.875 -0.010 18844 3780 1 11 . 1 1 13 13 GLU N N 13 119.756 119.756 118.588 1.168 18844 3781 1 11 . 1 1 13 13 GLU HA H 13 4.880 4.880 4.837 0.043 18844 3782 1 11 . 1 1 13 13 GLU CA C 13 55.655 55.655 55.319 0.336 18844 3783 1 11 . 1 1 13 13 GLU CB C 13 32.306 32.306 32.553 -0.247 18844 3784 1 11 . 1 1 13 13 GLU H H 13 8.172 8.172 8.377 -0.205 18844 3785 1 11 . 1 1 14 14 TYR N N 14 122.812 122.812 121.625 1.187 18844 3786 1 11 . 1 1 14 14 TYR HA H 14 4.601 4.601 4.768 -0.167 18844 3787 1 11 . 1 1 14 14 TYR CA C 14 57.246 57.246 56.776 0.470 18844 3788 1 11 . 1 1 14 14 TYR CB C 14 40.544 40.544 41.086 -0.542 18844 3789 1 11 . 1 1 14 14 TYR H H 14 9.381 9.381 8.824 0.557 18844 3790 1 11 . 1 1 15 15 SER N N 15 118.339 118.339 119.317 -0.978 18844 3791 1 11 . 1 1 15 15 SER HA H 15 4.747 4.747 4.598 0.149 18844 3792 1 11 . 1 1 15 15 SER CA C 15 58.099 58.099 58.094 0.005 18844 3793 1 11 . 1 1 15 15 SER CB C 15 63.394 63.394 63.730 -0.336 18844 3794 1 11 . 1 1 15 15 SER H H 15 8.802 8.802 8.662 0.140 18844 3795 1 11 . 1 1 16 16 VAL N N 16 128.611 128.611 124.461 4.150 18844 3796 1 11 . 1 1 16 16 VAL HA H 16 4.205 4.205 4.349 -0.144 18844 3797 1 11 . 1 1 16 16 VAL CA C 16 62.344 62.344 62.556 -0.212 18844 3798 1 11 . 1 1 16 16 VAL CB C 16 32.528 32.528 33.239 -0.711 18844 3799 1 11 . 1 1 16 16 VAL H H 16 9.005 9.005 8.834 0.171 18844 3800 1 11 . 1 1 17 17 THR N N 17 116.170 116.170 116.218 -0.048 18844 3801 1 11 . 1 1 17 17 THR HA H 17 4.533 4.533 4.673 -0.140 18844 3802 1 11 . 1 1 17 17 THR CA C 17 62.331 62.331 62.044 0.287 18844 3803 1 11 . 1 1 17 17 THR CB C 17 70.040 70.040 68.905 1.135 18844 3804 1 11 . 1 1 17 17 THR H H 17 8.746 8.746 8.602 0.144 18844 3805 1 11 . 1 1 18 18 THR N N 18 107.517 107.517 115.970 -8.453 18844 3806 1 11 . 1 1 18 18 THR HA H 18 4.173 4.173 4.148 0.025 18844 3807 1 11 . 1 1 18 18 THR CA C 18 61.772 61.772 62.385 -0.613 18844 3808 1 11 . 1 1 18 18 THR CB C 18 69.121 69.121 68.929 0.192 18844 3809 1 11 . 1 1 18 18 THR H H 18 6.812 6.812 8.058 -1.246 18844 3810 1 11 . 1 1 19 19 LEU N N 19 123.019 123.019 123.490 -0.471 18844 3811 1 11 . 1 1 19 19 LEU HA H 19 4.583 4.583 4.412 0.171 18844 3812 1 11 . 1 1 19 19 LEU CA C 19 54.180 54.180 54.488 -0.308 18844 3813 1 11 . 1 1 19 19 LEU CB C 19 42.711 42.711 43.294 -0.583 18844 3814 1 11 . 1 1 19 19 LEU H H 19 8.388 8.388 7.690 0.698 18844 3815 1 11 . 1 1 20 20 SER N N 20 117.870 117.870 115.000 2.870 18844 3816 1 11 . 1 1 20 20 SER HA H 20 4.863 4.863 4.927 -0.064 18844 3817 1 11 . 1 1 20 20 SER CA C 20 56.832 56.832 56.809 0.023 18844 3818 1 11 . 1 1 20 20 SER CB C 20 67.845 67.845 66.371 1.474 18844 3819 1 11 . 1 1 20 20 SER H H 20 9.714 9.714 8.930 0.784 18844 3820 1 11 . 1 1 21 21 GLU N N 21 116.130 116.130 121.667 -5.537 18844 3821 1 11 . 1 1 21 21 GLU HA H 21 3.740 3.740 3.960 -0.220 18844 3822 1 11 . 1 1 21 21 GLU CA C 21 59.134 59.134 59.916 -0.782 18844 3823 1 11 . 1 1 21 21 GLU CB C 21 30.854 30.854 29.274 1.580 18844 3824 1 11 . 1 1 21 21 GLU H H 21 8.491 8.491 8.796 -0.305 18844 3825 1 11 . 1 1 22 22 ASP N N 22 115.741 115.741 118.251 -2.510 18844 3826 1 11 . 1 1 22 22 ASP HA H 22 4.650 4.650 4.511 0.139 18844 3827 1 11 . 1 1 22 22 ASP CA C 22 55.156 55.156 55.878 -0.722 18844 3828 1 11 . 1 1 22 22 ASP CB C 22 42.579 42.579 40.863 1.716 18844 3829 1 11 . 1 1 22 22 ASP H H 22 7.936 7.936 8.499 -0.563 18844 3830 1 11 . 1 1 23 23 ASP N N 23 119.945 119.945 118.600 1.345 18844 3831 1 11 . 1 1 23 23 ASP HA H 23 4.841 4.841 4.762 0.079 18844 3832 1 11 . 1 1 23 23 ASP CA C 23 55.223 55.223 54.146 1.077 18844 3833 1 11 . 1 1 23 23 ASP CB C 23 42.782 42.782 42.544 0.238 18844 3834 1 11 . 1 1 23 23 ASP H H 23 7.313 7.313 7.982 -0.669 18844 3835 1 11 . 1 1 24 24 THR N N 24 107.918 107.918 109.712 -1.794 18844 3836 1 11 . 1 1 24 24 THR HA H 24 5.328 5.328 4.782 0.546 18844 3837 1 11 . 1 1 24 24 THR CA C 24 60.989 60.989 60.310 0.679 18844 3838 1 11 . 1 1 24 24 THR CB C 24 74.287 74.287 72.393 1.894 18844 3839 1 11 . 1 1 24 24 THR H H 24 9.630 9.630 7.793 1.837 18844 3840 1 11 . 1 1 25 25 VAL N N 25 120.192 120.192 121.194 -1.002 18844 3841 1 11 . 1 1 25 25 VAL HA H 25 3.334 3.334 3.763 -0.429 18844 3842 1 11 . 1 1 25 25 VAL CA C 25 67.626 67.626 66.957 0.669 18844 3843 1 11 . 1 1 25 25 VAL CB C 25 32.149 32.149 31.308 0.841 18844 3844 1 11 . 1 1 25 25 VAL H H 25 8.260 8.260 8.661 -0.401 18844 3845 1 11 . 1 1 26 26 LEU N N 26 119.941 119.941 118.131 1.810 18844 3846 1 11 . 1 1 26 26 LEU HA H 26 3.872 3.872 4.041 -0.169 18844 3847 1 11 . 1 1 26 26 LEU CA C 26 58.592 58.592 58.227 0.365 18844 3848 1 11 . 1 1 26 26 LEU CB C 26 41.716 41.716 41.169 0.547 18844 3849 1 11 . 1 1 26 26 LEU H H 26 8.523 8.523 7.302 1.221 18844 3850 1 11 . 1 1 27 27 ASP N N 27 118.322 118.322 118.943 -0.621 18844 3851 1 11 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.414 -0.141 18844 3852 1 11 . 1 1 27 27 ASP CA C 27 58.663 58.663 56.904 1.759 18844 3853 1 11 . 1 1 27 27 ASP CB C 27 40.931 40.931 40.466 0.465 18844 3854 1 11 . 1 1 27 27 ASP H H 27 7.581 7.581 8.365 -0.784 18844 3855 1 11 . 1 1 28 28 LEU N N 28 122.021 122.021 120.396 1.625 18844 3856 1 11 . 1 1 28 28 LEU HA H 28 4.083 4.083 4.166 -0.083 18844 3857 1 11 . 1 1 28 28 LEU CA C 28 58.772 58.772 58.089 0.683 18844 3858 1 11 . 1 1 28 28 LEU CB C 28 41.225 41.225 42.299 -1.074 18844 3859 1 11 . 1 1 28 28 LEU H H 28 7.837 7.837 7.284 0.553 18844 3860 1 11 . 1 1 29 29 LYS N N 29 119.086 119.086 119.946 -0.860 18844 3861 1 11 . 1 1 29 29 LYS HA H 29 4.520 4.520 3.931 0.589 18844 3862 1 11 . 1 1 29 29 LYS CA C 29 59.787 59.787 60.360 -0.573 18844 3863 1 11 . 1 1 29 29 LYS CB C 29 34.297 34.297 32.118 2.179 18844 3864 1 11 . 1 1 29 29 LYS H H 29 8.467 8.467 8.598 -0.131 18844 3865 1 11 . 1 1 30 30 GLN N N 30 119.268 119.268 118.100 1.168 18844 3866 1 11 . 1 1 30 30 GLN HA H 30 3.932 3.932 4.000 -0.068 18844 3867 1 11 . 1 1 30 30 GLN CA C 30 59.663 59.663 58.879 0.784 18844 3868 1 11 . 1 1 30 30 GLN CB C 30 27.806 27.806 27.928 -0.122 18844 3869 1 11 . 1 1 30 30 GLN H H 30 9.049 9.049 8.117 0.932 18844 3870 1 11 . 1 1 31 31 PHE N N 31 121.690 121.690 120.371 1.319 18844 3871 1 11 . 1 1 31 31 PHE HA H 31 4.218 4.218 4.285 -0.067 18844 3872 1 11 . 1 1 31 31 PHE CA C 31 61.967 61.967 60.703 1.264 18844 3873 1 11 . 1 1 31 31 PHE CB C 31 39.374 39.374 39.384 -0.010 18844 3874 1 11 . 1 1 31 31 PHE H H 31 8.039 8.039 7.454 0.585 18844 3875 1 11 . 1 1 32 32 LEU N N 32 118.232 118.232 118.027 0.205 18844 3876 1 11 . 1 1 32 32 LEU HA H 32 3.637 3.637 3.858 -0.221 18844 3877 1 11 . 1 1 32 32 LEU CA C 32 57.708 57.708 58.157 -0.449 18844 3878 1 11 . 1 1 32 32 LEU CB C 32 41.270 41.270 41.261 0.009 18844 3879 1 11 . 1 1 32 32 LEU H H 32 8.776 8.776 8.396 0.380 18844 3880 1 11 . 1 1 33 33 LYS N N 33 125.920 125.920 118.282 7.638 18844 3881 1 11 . 1 1 33 33 LYS HA H 33 3.802 3.802 3.858 -0.056 18844 3882 1 11 . 1 1 33 33 LYS CA C 33 60.116 60.116 59.076 1.040 18844 3883 1 11 . 1 1 33 33 LYS CB C 33 31.701 31.701 31.510 0.191 18844 3884 1 11 . 1 1 33 33 LYS H H 33 8.237 8.237 8.411 -0.174 18844 3885 1 11 . 1 1 34 34 THR N N 34 114.544 114.544 112.239 2.305 18844 3886 1 11 . 1 1 34 34 THR HA H 34 3.773 3.773 4.097 -0.324 18844 3887 1 11 . 1 1 34 34 THR CA C 34 65.749 65.749 63.719 2.030 18844 3888 1 11 . 1 1 34 34 THR CB C 34 68.620 68.620 68.587 0.033 18844 3889 1 11 . 1 1 34 34 THR H H 34 7.281 7.281 7.094 0.187 18844 3890 1 11 . 1 1 35 35 LEU N N 35 117.590 117.590 120.156 -2.566 18844 3891 1 11 . 1 1 35 35 LEU HA H 35 4.018 4.018 4.102 -0.084 18844 3892 1 11 . 1 1 35 35 LEU CA C 35 57.015 57.015 57.112 -0.097 18844 3893 1 11 . 1 1 35 35 LEU CB C 35 44.003 44.003 42.521 1.482 18844 3894 1 11 . 1 1 35 35 LEU H H 35 6.752 6.752 7.620 -0.868 18844 3895 1 11 . 1 1 36 36 THR N N 36 104.865 104.865 109.254 -4.389 18844 3896 1 11 . 1 1 36 36 THR HA H 36 3.967 3.967 4.278 -0.311 18844 3897 1 11 . 1 1 36 36 THR CA C 36 62.756 62.756 62.065 0.691 18844 3898 1 11 . 1 1 36 36 THR CB C 36 72.343 72.343 69.903 2.440 18844 3899 1 11 . 1 1 36 36 THR H H 36 7.675 7.675 7.551 0.124 18844 3900 1 11 . 1 1 37 37 GLY N N 37 109.795 109.795 108.836 0.959 18844 3901 1 11 . 1 1 37 37 GLY CA C 37 45.559 45.559 44.521 1.038 18844 3902 1 11 . 1 1 37 37 GLY H H 37 7.971 7.971 7.306 0.665 18844 3903 1 11 . 1 1 38 38 VAL N N 38 122.557 122.557 118.920 3.637 18844 3904 1 11 . 1 1 38 38 VAL HA H 38 3.638 3.638 3.998 -0.360 18844 3905 1 11 . 1 1 38 38 VAL CA C 38 62.437 62.437 60.364 2.073 18844 3906 1 11 . 1 1 38 38 VAL CB C 38 31.390 31.390 33.507 -2.116 18844 3907 1 11 . 1 1 38 38 VAL H H 38 7.533 7.533 7.232 0.301 18844 3908 1 11 . 1 1 39 39 LEU N N 39 127.828 127.828 123.184 4.644 18844 3909 1 11 . 1 1 39 39 LEU HA H 39 3.994 3.994 4.416 -0.422 18844 3910 1 11 . 1 1 39 39 LEU CA C 39 54.437 54.437 53.342 1.095 18844 3911 1 11 . 1 1 39 39 LEU CB C 39 40.557 40.557 40.172 0.384 18844 3912 1 11 . 1 1 39 39 LEU H H 39 8.634 8.634 8.268 0.366 18844 3913 1 11 . 1 1 40 40 PRO HA H 40 3.839 3.839 4.716 -0.877 18844 3914 1 11 . 1 1 40 40 PRO CA C 40 66.989 66.989 64.731 2.258 18844 3915 1 11 . 1 1 40 40 PRO CB C 40 32.322 32.322 31.970 0.352 18844 3916 1 11 . 1 1 41 41 GLU N N 41 114.752 114.752 117.880 -3.128 18844 3917 1 11 . 1 1 41 41 GLU HA H 41 4.071 4.071 4.082 -0.011 18844 3918 1 11 . 1 1 41 41 GLU CA C 41 58.938 58.938 58.672 0.266 18844 3919 1 11 . 1 1 41 41 GLU CB C 41 28.824 28.824 29.437 -0.613 18844 3920 1 11 . 1 1 41 41 GLU H H 41 9.746 9.746 8.627 1.119 18844 3921 1 11 . 1 1 42 42 ARG N N 42 118.145 118.145 115.729 2.416 18844 3922 1 11 . 1 1 42 42 ARG HA H 42 4.315 4.315 4.454 -0.139 18844 3923 1 11 . 1 1 42 42 ARG CA C 42 55.448 55.448 56.767 -1.319 18844 3924 1 11 . 1 1 42 42 ARG CB C 42 31.105 31.105 31.797 -0.692 18844 3925 1 11 . 1 1 42 42 ARG H H 42 7.938 7.938 7.553 0.385 18844 3926 1 11 . 1 1 43 43 GLN N N 43 118.250 118.250 118.623 -0.373 18844 3927 1 11 . 1 1 43 43 GLN HA H 43 4.251 4.251 4.767 -0.516 18844 3928 1 11 . 1 1 43 43 GLN CA C 43 56.537 56.537 54.645 1.892 18844 3929 1 11 . 1 1 43 43 GLN CB C 43 30.992 30.992 30.724 0.268 18844 3930 1 11 . 1 1 43 43 GLN H H 43 7.034 7.034 7.802 -0.768 18844 3931 1 11 . 1 1 44 44 LYS N N 44 122.693 122.693 119.404 3.289 18844 3932 1 11 . 1 1 44 44 LYS HA H 44 4.464 4.464 4.715 -0.251 18844 3933 1 11 . 1 1 44 44 LYS CA C 44 55.552 55.552 54.798 0.754 18844 3934 1 11 . 1 1 44 44 LYS CB C 44 34.325 34.325 34.759 -0.434 18844 3935 1 11 . 1 1 44 44 LYS H H 44 8.806 8.806 8.939 -0.133 18844 3936 1 11 . 1 1 45 45 LEU N N 45 124.806 124.806 123.823 0.983 18844 3937 1 11 . 1 1 45 45 LEU HA H 45 4.943 4.943 4.276 0.667 18844 3938 1 11 . 1 1 45 45 LEU CA C 45 53.542 53.542 55.334 -1.792 18844 3939 1 11 . 1 1 45 45 LEU CB C 45 41.821 41.821 40.817 1.004 18844 3940 1 11 . 1 1 45 45 LEU H H 45 8.704 8.704 8.578 0.126 18844 3941 1 11 . 1 1 46 46 LEU N N 46 124.709 124.709 126.892 -2.183 18844 3942 1 11 . 1 1 46 46 LEU HA H 46 4.358 4.358 4.346 0.012 18844 3943 1 11 . 1 1 46 46 LEU CA C 46 55.759 55.759 57.483 -1.724 18844 3944 1 11 . 1 1 46 46 LEU CB C 46 42.526 42.526 42.415 0.111 18844 3945 1 11 . 1 1 46 46 LEU H H 46 8.751 8.751 7.888 0.863 18844 3946 1 11 . 1 1 47 47 GLY N N 47 109.276 109.276 107.180 2.096 18844 3947 1 11 . 1 1 47 47 GLY CA C 47 45.560 45.560 44.838 0.722 18844 3948 1 11 . 1 1 47 47 GLY H H 47 8.300 8.300 8.382 -0.082 18844 3949 1 11 . 1 1 48 48 LEU N N 48 119.707 119.707 117.277 2.430 18844 3950 1 11 . 1 1 48 48 LEU HA H 48 4.590 4.590 4.188 0.402 18844 3951 1 11 . 1 1 48 48 LEU CA C 48 53.945 53.945 56.504 -2.558 18844 3952 1 11 . 1 1 48 48 LEU CB C 48 41.414 41.414 42.122 -0.708 18844 3953 1 11 . 1 1 48 48 LEU H H 48 7.581 7.581 7.398 0.183 18844 3954 1 11 . 1 1 49 49 LYS N N 49 124.527 124.527 117.759 6.768 18844 3955 1 11 . 1 1 49 49 LYS HA H 49 4.852 4.852 4.540 0.312 18844 3956 1 11 . 1 1 49 49 LYS CA C 49 55.663 55.663 54.939 0.724 18844 3957 1 11 . 1 1 49 49 LYS CB C 49 37.581 37.581 34.212 3.369 18844 3958 1 11 . 1 1 49 49 LYS H H 49 8.606 8.606 7.292 1.314 18844 3959 1 11 . 1 1 50 50 VAL N N 50 119.184 119.184 121.391 -2.207 18844 3960 1 11 . 1 1 50 50 VAL HA H 50 4.113 4.113 4.311 -0.198 18844 3961 1 11 . 1 1 50 50 VAL CA C 50 61.865 61.865 61.040 0.825 18844 3962 1 11 . 1 1 50 50 VAL CB C 50 34.734 34.734 35.218 -0.484 18844 3963 1 11 . 1 1 50 50 VAL H H 50 8.799 8.799 8.656 0.143 18844 3964 1 11 . 1 1 51 51 LYS N N 51 127.069 127.069 125.844 1.225 18844 3965 1 11 . 1 1 51 51 LYS HA H 51 3.824 3.824 3.951 -0.127 18844 3966 1 11 . 1 1 51 51 LYS CA C 51 57.407 57.407 57.254 0.153 18844 3967 1 11 . 1 1 51 51 LYS CB C 51 30.655 30.655 30.279 0.376 18844 3968 1 11 . 1 1 51 51 LYS H H 51 9.451 9.451 9.065 0.386 18844 3969 1 11 . 1 1 52 52 GLY N N 52 102.671 102.671 101.891 0.780 18844 3970 1 11 . 1 1 52 52 GLY CA C 52 45.810 45.810 44.864 0.946 18844 3971 1 11 . 1 1 52 52 GLY H H 52 8.512 8.512 8.312 0.200 18844 3972 1 11 . 1 1 53 53 LYS N N 53 121.307 121.307 122.038 -0.731 18844 3973 1 11 . 1 1 53 53 LYS HA H 53 4.829 4.829 4.661 0.168 18844 3974 1 11 . 1 1 53 53 LYS CA C 53 53.616 53.616 52.973 0.643 18844 3975 1 11 . 1 1 53 53 LYS CB C 53 33.940 33.940 32.633 1.307 18844 3976 1 11 . 1 1 53 53 LYS H H 53 7.781 7.781 7.826 -0.045 18844 3977 1 11 . 1 1 54 54 PRO HA H 54 4.376 4.376 4.296 0.080 18844 3978 1 11 . 1 1 54 54 PRO CA C 54 63.817 63.817 64.210 -0.393 18844 3979 1 11 . 1 1 54 54 PRO CB C 54 32.151 32.151 31.908 0.243 18844 3980 1 11 . 1 1 55 55 ALA N N 55 125.654 125.654 119.763 5.891 18844 3981 1 11 . 1 1 55 55 ALA HA H 55 4.138 4.138 3.967 0.171 18844 3982 1 11 . 1 1 55 55 ALA CA C 55 52.664 52.664 52.882 -0.218 18844 3983 1 11 . 1 1 55 55 ALA CB C 55 20.044 20.044 17.796 2.248 18844 3984 1 11 . 1 1 55 55 ALA H H 55 8.114 8.114 7.998 0.116 18844 3985 1 11 . 1 1 56 56 GLU N N 56 122.313 122.313 118.070 4.243 18844 3986 1 11 . 1 1 56 56 GLU HA H 56 4.215 4.215 4.035 0.180 18844 3987 1 11 . 1 1 56 56 GLU CA C 56 56.089 56.089 59.209 -3.120 18844 3988 1 11 . 1 1 56 56 GLU CB C 56 31.086 31.086 30.151 0.935 18844 3989 1 11 . 1 1 56 56 GLU H H 56 8.179 8.179 8.607 -0.428 18844 3990 1 11 . 1 1 57 57 ASN N N 57 115.140 115.140 109.115 6.025 18844 3991 1 11 . 1 1 57 57 ASN HA H 57 4.229 4.229 4.705 -0.476 18844 3992 1 11 . 1 1 57 57 ASN CA C 57 55.199 55.199 53.867 1.332 18844 3993 1 11 . 1 1 57 57 ASN CB C 57 39.227 39.227 39.026 0.201 18844 3994 1 11 . 1 1 57 57 ASN H H 57 8.504 8.504 7.935 0.569 18844 3995 1 11 . 1 1 58 58 ASP N N 58 112.832 112.832 120.974 -8.142 18844 3996 1 11 . 1 1 58 58 ASP HA H 58 4.488 4.488 4.597 -0.109 18844 3997 1 11 . 1 1 58 58 ASP CA C 58 53.608 53.608 55.289 -1.681 18844 3998 1 11 . 1 1 58 58 ASP CB C 58 40.304 40.304 40.742 -0.438 18844 3999 1 11 . 1 1 58 58 ASP H H 58 8.198 8.198 8.654 -0.456 18844 4000 1 11 . 1 1 59 59 VAL N N 59 122.073 122.073 119.135 2.938 18844 4001 1 11 . 1 1 59 59 VAL HA H 59 3.593 3.593 4.105 -0.512 18844 4002 1 11 . 1 1 59 59 VAL CA C 59 63.840 63.840 61.398 2.442 18844 4003 1 11 . 1 1 59 59 VAL CB C 59 32.322 32.322 33.014 -0.692 18844 4004 1 11 . 1 1 59 59 VAL H H 59 7.353 7.353 7.475 -0.122 18844 4005 1 11 . 1 1 60 60 LYS N N 60 125.064 125.064 123.665 1.399 18844 4006 1 11 . 1 1 60 60 LYS HA H 60 4.447 4.447 4.492 -0.045 18844 4007 1 11 . 1 1 60 60 LYS CA C 60 56.185 56.185 55.628 0.557 18844 4008 1 11 . 1 1 60 60 LYS CB C 60 33.105 33.105 33.581 -0.476 18844 4009 1 11 . 1 1 60 60 LYS H H 60 8.339 8.339 8.370 -0.031 18844 4010 1 11 . 1 1 61 61 LEU N N 61 121.612 121.612 122.761 -1.149 18844 4011 1 11 . 1 1 61 61 LEU HA H 61 3.776 3.776 3.997 -0.221 18844 4012 1 11 . 1 1 61 61 LEU CA C 61 57.987 57.987 57.892 0.095 18844 4013 1 11 . 1 1 61 61 LEU CB C 61 40.832 40.832 41.722 -0.890 18844 4014 1 11 . 1 1 61 61 LEU H H 61 9.423 9.423 8.893 0.530 18844 4015 1 11 . 1 1 62 62 GLY N N 62 104.008 104.008 103.500 0.508 18844 4016 1 11 . 1 1 62 62 GLY CA C 62 46.772 46.772 45.697 1.075 18844 4017 1 11 . 1 1 62 62 GLY H H 62 9.107 9.107 7.899 1.208 18844 4018 1 11 . 1 1 63 63 ALA N N 63 122.025 122.025 122.641 -0.616 18844 4019 1 11 . 1 1 63 63 ALA HA H 63 4.273 4.273 4.396 -0.123 18844 4020 1 11 . 1 1 63 63 ALA CA C 63 53.421 53.421 53.347 0.074 18844 4021 1 11 . 1 1 63 63 ALA CB C 63 18.816 18.816 19.050 -0.234 18844 4022 1 11 . 1 1 63 63 ALA H H 63 7.755 7.755 7.757 -0.002 18844 4023 1 11 . 1 1 64 64 LEU N N 64 115.454 115.454 114.797 0.657 18844 4024 1 11 . 1 1 64 64 LEU HA H 64 4.068 4.068 4.233 -0.165 18844 4025 1 11 . 1 1 64 64 LEU CA C 64 55.567 55.567 54.798 0.769 18844 4026 1 11 . 1 1 64 64 LEU CB C 64 42.136 42.136 42.141 -0.005 18844 4027 1 11 . 1 1 64 64 LEU H H 64 7.214 7.214 7.288 -0.074 18844 4028 1 11 . 1 1 65 65 LYS N N 65 114.830 114.830 114.773 0.057 18844 4029 1 11 . 1 1 65 65 LYS HA H 65 3.838 3.838 3.859 -0.021 18844 4030 1 11 . 1 1 65 65 LYS CA C 65 56.737 56.737 56.826 -0.089 18844 4031 1 11 . 1 1 65 65 LYS CB C 65 29.307 29.307 29.307 0.000 18844 4032 1 11 . 1 1 65 65 LYS H H 65 7.642 7.642 7.737 -0.095 18844 4033 1 11 . 1 1 66 66 LEU N N 66 119.305 119.305 118.627 0.678 18844 4034 1 11 . 1 1 66 66 LEU HA H 66 4.163 4.163 4.346 -0.183 18844 4035 1 11 . 1 1 66 66 LEU CA C 66 54.847 54.847 54.301 0.546 18844 4036 1 11 . 1 1 66 66 LEU CB C 66 42.712 42.712 43.484 -0.772 18844 4037 1 11 . 1 1 66 66 LEU H H 66 8.516 8.516 7.744 0.772 18844 4038 1 11 . 1 1 67 67 LYS N N 67 121.480 121.480 123.188 -1.708 18844 4039 1 11 . 1 1 67 67 LYS HA H 67 4.497 4.497 4.411 0.086 18844 4040 1 11 . 1 1 67 67 LYS CA C 67 54.152 54.152 55.471 -1.319 18844 4041 1 11 . 1 1 67 67 LYS CB C 67 31.999 31.999 32.145 -0.146 18844 4042 1 11 . 1 1 67 67 LYS H H 67 7.955 7.955 8.145 -0.190 18844 4043 1 11 . 1 1 68 68 PRO HA H 68 4.169 4.169 4.725 -0.556 18844 4044 1 11 . 1 1 68 68 PRO CA C 68 64.389 64.389 65.052 -0.663 18844 4045 1 11 . 1 1 68 68 PRO CB C 68 32.214 32.214 32.403 -0.189 18844 4046 1 11 . 1 1 69 69 ASN N N 69 115.414 115.414 116.482 -1.068 18844 4047 1 11 . 1 1 69 69 ASN HA H 69 3.962 3.962 4.618 -0.656 18844 4048 1 11 . 1 1 69 69 ASN CA C 69 55.021 55.021 53.566 1.455 18844 4049 1 11 . 1 1 69 69 ASN CB C 69 37.047 37.047 38.077 -1.030 18844 4050 1 11 . 1 1 69 69 ASN H H 69 8.966 8.966 8.155 0.811 18844 4051 1 11 . 1 1 70 70 THR N N 70 115.426 115.426 117.343 -1.917 18844 4052 1 11 . 1 1 70 70 THR HA H 70 3.949 3.949 4.101 -0.152 18844 4053 1 11 . 1 1 70 70 THR CA C 70 65.247 65.247 64.576 0.671 18844 4054 1 11 . 1 1 70 70 THR CB C 70 70.132 70.132 69.336 0.796 18844 4055 1 11 . 1 1 70 70 THR H H 70 7.712 7.712 7.670 0.042 18844 4056 1 11 . 1 1 71 71 LYS N N 71 124.603 124.603 125.229 -0.626 18844 4057 1 11 . 1 1 71 71 LYS HA H 71 5.179 5.179 5.006 0.173 18844 4058 1 11 . 1 1 71 71 LYS CA C 71 55.340 55.340 55.418 -0.078 18844 4059 1 11 . 1 1 71 71 LYS CB C 71 33.729 33.729 34.010 -0.281 18844 4060 1 11 . 1 1 71 71 LYS H H 71 8.284 8.284 8.206 0.078 18844 4061 1 11 . 1 1 72 72 ILE N N 72 123.505 123.505 123.635 -0.130 18844 4062 1 11 . 1 1 72 72 ILE HA H 72 4.511 4.511 4.393 0.118 18844 4063 1 11 . 1 1 72 72 ILE CA C 72 59.636 59.636 59.197 0.440 18844 4064 1 11 . 1 1 72 72 ILE CB C 72 40.827 40.827 39.638 1.189 18844 4065 1 11 . 1 1 72 72 ILE H H 72 9.142 9.142 8.505 0.637 18844 4066 1 11 . 1 1 73 73 MET N N 73 123.090 123.090 125.361 -2.271 18844 4067 1 11 . 1 1 73 73 MET HA H 73 5.122 5.122 5.142 -0.020 18844 4068 1 11 . 1 1 73 73 MET CA C 73 54.949 54.949 55.091 -0.142 18844 4069 1 11 . 1 1 73 73 MET CB C 73 35.143 35.143 35.196 -0.053 18844 4070 1 11 . 1 1 73 73 MET H H 73 8.556 8.556 8.863 -0.307 18844 4071 1 11 . 1 1 74 74 MET N N 74 124.481 124.481 121.276 3.205 18844 4072 1 11 . 1 1 74 74 MET HA H 74 5.288 5.288 4.841 0.447 18844 4073 1 11 . 1 1 74 74 MET CA C 74 54.862 54.862 55.000 -0.138 18844 4074 1 11 . 1 1 74 74 MET CB C 74 36.294 36.294 35.633 0.661 18844 4075 1 11 . 1 1 74 74 MET H H 74 8.924 8.924 8.766 0.158 18844 4076 1 11 . 1 1 75 75 MET N N 75 123.963 123.963 123.609 0.354 18844 4077 1 11 . 1 1 75 75 MET HA H 75 5.093 5.093 5.039 0.054 18844 4078 1 11 . 1 1 75 75 MET CA C 75 54.265 54.265 54.307 -0.042 18844 4079 1 11 . 1 1 75 75 MET CB C 75 35.566 35.566 34.035 1.531 18844 4080 1 11 . 1 1 75 75 MET H H 75 9.112 9.112 8.292 0.820 18844 4081 1 11 . 1 1 76 76 GLY N N 76 109.773 109.773 110.717 -0.944 18844 4082 1 11 . 1 1 76 76 GLY CA C 76 45.901 45.901 45.212 0.689 18844 4083 1 11 . 1 1 76 76 GLY H H 76 8.711 8.711 8.786 -0.075 18844 4084 1 11 . 1 1 77 77 THR N N 77 113.345 113.345 114.559 -1.214 18844 4085 1 11 . 1 1 77 77 THR HA H 77 4.787 4.787 4.636 0.151 18844 4086 1 11 . 1 1 77 77 THR CA C 77 60.728 60.728 60.600 0.128 18844 4087 1 11 . 1 1 77 77 THR CB C 77 71.481 71.481 70.432 1.049 18844 4088 1 11 . 1 1 77 77 THR H H 77 8.280 8.280 8.307 -0.027 18844 4089 1 11 . 1 1 78 78 ARG N N 78 122.844 122.844 125.006 -2.162 18844 4090 1 11 . 1 1 78 78 ARG HA H 78 4.148 4.148 4.203 -0.055 18844 4091 1 11 . 1 1 78 78 ARG CA C 78 56.881 56.881 56.647 0.234 18844 4092 1 11 . 1 1 78 78 ARG CB C 78 31.607 31.607 30.808 0.799 18844 4093 1 11 . 1 1 78 78 ARG H H 78 8.852 8.852 8.414 0.438 18844 4094 1 11 . 1 1 79 79 GLU N N 79 122.181 122.181 122.031 0.150 18844 4095 1 11 . 1 1 79 79 GLU HA H 79 4.206 4.206 4.325 -0.119 18844 4096 1 11 . 1 1 79 79 GLU CA C 79 57.007 57.007 56.706 0.301 18844 4097 1 11 . 1 1 79 79 GLU CB C 79 30.764 30.764 29.843 0.921 18844 4098 1 11 . 1 1 79 79 GLU H H 79 8.300 8.300 8.543 -0.243 18844 4099 1 11 . 1 1 80 80 GLU N N 80 126.965 126.965 123.367 3.598 18844 4100 1 11 . 1 1 80 80 GLU HA H 80 4.049 4.049 4.023 0.026 18844 4101 1 11 . 1 1 80 80 GLU CA C 80 58.328 58.328 56.751 1.577 18844 4102 1 11 . 1 1 80 80 GLU CB C 80 31.287 31.287 29.367 1.920 18844 4103 1 11 . 1 1 80 80 GLU H H 80 8.015 8.015 8.775 -0.760 18844 4104 1 12 . 1 1 2 2 ALA N N 2 126.014 126.014 123.456 2.558 18844 4105 1 12 . 1 1 2 2 ALA HA H 2 4.033 4.033 4.571 -0.538 18844 4106 1 12 . 1 1 2 2 ALA CA C 2 53.215 53.215 51.511 1.704 18844 4107 1 12 . 1 1 2 2 ALA CB C 2 19.376 19.376 19.885 -0.509 18844 4108 1 12 . 1 1 2 2 ALA H H 2 8.410 8.410 8.302 0.108 18844 4109 1 12 . 1 1 3 3 LEU N N 3 123.255 123.255 123.936 -0.681 18844 4110 1 12 . 1 1 3 3 LEU HA H 3 4.646 4.646 4.625 0.021 18844 4111 1 12 . 1 1 3 3 LEU CA C 3 51.817 51.817 52.114 -0.297 18844 4112 1 12 . 1 1 3 3 LEU CB C 3 43.557 43.557 43.296 0.261 18844 4113 1 12 . 1 1 3 3 LEU H H 3 8.271 8.271 8.493 -0.222 18844 4114 1 12 . 1 1 4 4 PRO HA H 4 4.606 4.606 4.662 -0.056 18844 4115 1 12 . 1 1 4 4 PRO CA C 4 63.240 63.240 62.342 0.898 18844 4116 1 12 . 1 1 4 4 PRO CB C 4 32.070 32.070 32.820 -0.750 18844 4117 1 12 . 1 1 5 5 ILE N N 5 122.161 122.161 118.184 3.977 18844 4118 1 12 . 1 1 5 5 ILE HA H 5 4.359 4.359 4.840 -0.481 18844 4119 1 12 . 1 1 5 5 ILE CA C 5 60.833 60.833 60.497 0.336 18844 4120 1 12 . 1 1 5 5 ILE CB C 5 43.943 43.943 42.776 1.167 18844 4121 1 12 . 1 1 5 5 ILE H H 5 8.317 8.317 7.717 0.600 18844 4122 1 12 . 1 1 6 6 ILE N N 6 125.649 125.649 125.815 -0.166 18844 4123 1 12 . 1 1 6 6 ILE HA H 6 4.921 4.921 4.761 0.160 18844 4124 1 12 . 1 1 6 6 ILE CA C 6 59.865 59.865 60.631 -0.766 18844 4125 1 12 . 1 1 6 6 ILE CB C 6 40.264 40.264 40.261 0.003 18844 4126 1 12 . 1 1 6 6 ILE H H 6 8.408 8.408 8.496 -0.088 18844 4127 1 12 . 1 1 7 7 VAL N N 7 125.741 125.741 126.126 -0.385 18844 4128 1 12 . 1 1 7 7 VAL HA H 7 4.930 4.930 4.732 0.198 18844 4129 1 12 . 1 1 7 7 VAL CA C 7 60.363 60.363 60.200 0.163 18844 4130 1 12 . 1 1 7 7 VAL CB C 7 34.759 34.759 34.425 0.334 18844 4131 1 12 . 1 1 7 7 VAL H H 7 9.155 9.155 9.152 0.003 18844 4132 1 12 . 1 1 8 8 LYS N N 8 128.098 128.098 128.441 -0.343 18844 4133 1 12 . 1 1 8 8 LYS HA H 8 5.232 5.232 5.167 0.065 18844 4134 1 12 . 1 1 8 8 LYS CA C 8 55.275 55.275 54.827 0.448 18844 4135 1 12 . 1 1 8 8 LYS CB C 8 34.935 34.935 33.664 1.271 18844 4136 1 12 . 1 1 8 8 LYS H H 8 9.174 9.174 8.724 0.450 18844 4137 1 12 . 1 1 9 9 TRP N N 9 125.952 125.952 128.615 -2.663 18844 4138 1 12 . 1 1 9 9 TRP HA H 9 5.185 5.185 4.886 0.299 18844 4139 1 12 . 1 1 9 9 TRP CA C 9 57.734 57.734 56.776 0.958 18844 4140 1 12 . 1 1 9 9 TRP CB C 9 31.561 31.561 30.816 0.745 18844 4141 1 12 . 1 1 9 9 TRP H H 9 8.844 8.844 8.483 0.361 18844 4142 1 12 . 1 1 10 10 GLY N N 10 117.044 117.044 116.344 0.700 18844 4143 1 12 . 1 1 10 10 GLY CA C 10 47.101 47.101 44.892 2.209 18844 4144 1 12 . 1 1 10 10 GLY H H 10 8.683 8.683 8.477 0.206 18844 4145 1 12 . 1 1 11 11 GLY N N 11 109.364 109.364 109.189 0.175 18844 4146 1 12 . 1 1 11 11 GLY CA C 11 45.460 45.460 45.493 -0.033 18844 4147 1 12 . 1 1 11 11 GLY H H 11 8.600 8.600 8.169 0.431 18844 4148 1 12 . 1 1 12 12 GLN N N 12 119.388 119.388 118.887 0.501 18844 4149 1 12 . 1 1 12 12 GLN HA H 12 4.483 4.483 4.642 -0.159 18844 4150 1 12 . 1 1 12 12 GLN CA C 12 54.502 54.502 54.411 0.090 18844 4151 1 12 . 1 1 12 12 GLN CB C 12 32.178 32.178 31.916 0.262 18844 4152 1 12 . 1 1 12 12 GLN H H 12 7.865 7.865 7.849 0.016 18844 4153 1 12 . 1 1 13 13 GLU N N 13 119.756 119.756 118.561 1.195 18844 4154 1 12 . 1 1 13 13 GLU HA H 13 4.880 4.880 4.832 0.048 18844 4155 1 12 . 1 1 13 13 GLU CA C 13 55.655 55.655 55.329 0.326 18844 4156 1 12 . 1 1 13 13 GLU CB C 13 32.306 32.306 32.626 -0.320 18844 4157 1 12 . 1 1 13 13 GLU H H 13 8.172 8.172 8.354 -0.182 18844 4158 1 12 . 1 1 14 14 TYR N N 14 122.812 122.812 121.590 1.222 18844 4159 1 12 . 1 1 14 14 TYR HA H 14 4.601 4.601 4.816 -0.215 18844 4160 1 12 . 1 1 14 14 TYR CA C 14 57.246 57.246 56.897 0.349 18844 4161 1 12 . 1 1 14 14 TYR CB C 14 40.544 40.544 41.469 -0.925 18844 4162 1 12 . 1 1 14 14 TYR H H 14 9.381 9.381 8.789 0.592 18844 4163 1 12 . 1 1 15 15 SER N N 15 118.339 118.339 119.732 -1.393 18844 4164 1 12 . 1 1 15 15 SER HA H 15 4.747 4.747 4.690 0.057 18844 4165 1 12 . 1 1 15 15 SER CA C 15 58.099 58.099 58.189 -0.090 18844 4166 1 12 . 1 1 15 15 SER CB C 15 63.394 63.394 63.902 -0.508 18844 4167 1 12 . 1 1 15 15 SER H H 15 8.802 8.802 8.699 0.103 18844 4168 1 12 . 1 1 16 16 VAL N N 16 128.611 128.611 125.812 2.799 18844 4169 1 12 . 1 1 16 16 VAL HA H 16 4.205 4.205 4.357 -0.152 18844 4170 1 12 . 1 1 16 16 VAL CA C 16 62.344 62.344 61.860 0.484 18844 4171 1 12 . 1 1 16 16 VAL CB C 16 32.528 32.528 32.713 -0.185 18844 4172 1 12 . 1 1 16 16 VAL H H 16 9.005 9.005 8.913 0.092 18844 4173 1 12 . 1 1 17 17 THR N N 17 116.170 116.170 117.920 -1.750 18844 4174 1 12 . 1 1 17 17 THR HA H 17 4.533 4.533 4.705 -0.172 18844 4175 1 12 . 1 1 17 17 THR CA C 17 62.331 62.331 61.819 0.512 18844 4176 1 12 . 1 1 17 17 THR CB C 17 70.040 70.040 68.939 1.101 18844 4177 1 12 . 1 1 17 17 THR H H 17 8.746 8.746 8.736 0.010 18844 4178 1 12 . 1 1 18 18 THR N N 18 107.517 107.517 116.291 -8.774 18844 4179 1 12 . 1 1 18 18 THR HA H 18 4.173 4.173 4.153 0.020 18844 4180 1 12 . 1 1 18 18 THR CA C 18 61.772 61.772 62.480 -0.708 18844 4181 1 12 . 1 1 18 18 THR CB C 18 69.121 69.121 69.008 0.113 18844 4182 1 12 . 1 1 18 18 THR H H 18 6.812 6.812 8.230 -1.418 18844 4183 1 12 . 1 1 19 19 LEU N N 19 123.019 123.019 123.055 -0.036 18844 4184 1 12 . 1 1 19 19 LEU HA H 19 4.583 4.583 4.347 0.236 18844 4185 1 12 . 1 1 19 19 LEU CA C 19 54.180 54.180 54.534 -0.354 18844 4186 1 12 . 1 1 19 19 LEU CB C 19 42.711 42.711 42.833 -0.122 18844 4187 1 12 . 1 1 19 19 LEU H H 19 8.388 8.388 7.810 0.578 18844 4188 1 12 . 1 1 20 20 SER N N 20 117.870 117.870 115.616 2.254 18844 4189 1 12 . 1 1 20 20 SER HA H 20 4.863 4.863 4.935 -0.072 18844 4190 1 12 . 1 1 20 20 SER CA C 20 56.832 56.832 56.730 0.102 18844 4191 1 12 . 1 1 20 20 SER CB C 20 67.845 67.845 66.559 1.286 18844 4192 1 12 . 1 1 20 20 SER H H 20 9.714 9.714 8.820 0.894 18844 4193 1 12 . 1 1 21 21 GLU N N 21 116.130 116.130 121.832 -5.702 18844 4194 1 12 . 1 1 21 21 GLU HA H 21 3.740 3.740 3.991 -0.251 18844 4195 1 12 . 1 1 21 21 GLU CA C 21 59.134 59.134 59.569 -0.435 18844 4196 1 12 . 1 1 21 21 GLU CB C 21 30.854 30.854 29.271 1.583 18844 4197 1 12 . 1 1 21 21 GLU H H 21 8.491 8.491 8.863 -0.372 18844 4198 1 12 . 1 1 22 22 ASP N N 22 115.741 115.741 117.420 -1.679 18844 4199 1 12 . 1 1 22 22 ASP HA H 22 4.650 4.650 4.557 0.093 18844 4200 1 12 . 1 1 22 22 ASP CA C 22 55.156 55.156 55.397 -0.241 18844 4201 1 12 . 1 1 22 22 ASP CB C 22 42.579 42.579 40.783 1.796 18844 4202 1 12 . 1 1 22 22 ASP H H 22 7.936 7.936 8.514 -0.578 18844 4203 1 12 . 1 1 23 23 ASP N N 23 119.945 119.945 118.067 1.878 18844 4204 1 12 . 1 1 23 23 ASP HA H 23 4.841 4.841 4.863 -0.022 18844 4205 1 12 . 1 1 23 23 ASP CA C 23 55.223 55.223 53.871 1.352 18844 4206 1 12 . 1 1 23 23 ASP CB C 23 42.782 42.782 42.470 0.312 18844 4207 1 12 . 1 1 23 23 ASP H H 23 7.313 7.313 8.097 -0.784 18844 4208 1 12 . 1 1 24 24 THR N N 24 107.918 107.918 109.446 -1.528 18844 4209 1 12 . 1 1 24 24 THR HA H 24 5.328 5.328 4.778 0.550 18844 4210 1 12 . 1 1 24 24 THR CA C 24 60.989 60.989 60.140 0.849 18844 4211 1 12 . 1 1 24 24 THR CB C 24 74.287 74.287 72.028 2.260 18844 4212 1 12 . 1 1 24 24 THR H H 24 9.630 9.630 7.830 1.800 18844 4213 1 12 . 1 1 25 25 VAL N N 25 120.192 120.192 121.676 -1.484 18844 4214 1 12 . 1 1 25 25 VAL HA H 25 3.334 3.334 3.726 -0.392 18844 4215 1 12 . 1 1 25 25 VAL CA C 25 67.626 67.626 67.025 0.601 18844 4216 1 12 . 1 1 25 25 VAL CB C 25 32.149 32.149 31.187 0.962 18844 4217 1 12 . 1 1 25 25 VAL H H 25 8.260 8.260 8.767 -0.507 18844 4218 1 12 . 1 1 26 26 LEU N N 26 119.941 119.941 118.200 1.741 18844 4219 1 12 . 1 1 26 26 LEU HA H 26 3.872 3.872 4.030 -0.158 18844 4220 1 12 . 1 1 26 26 LEU CA C 26 58.592 58.592 58.316 0.276 18844 4221 1 12 . 1 1 26 26 LEU CB C 26 41.716 41.716 41.225 0.491 18844 4222 1 12 . 1 1 26 26 LEU H H 26 8.523 8.523 7.273 1.250 18844 4223 1 12 . 1 1 27 27 ASP N N 27 118.322 118.322 118.353 -0.031 18844 4224 1 12 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.442 -0.169 18844 4225 1 12 . 1 1 27 27 ASP CA C 27 58.663 58.663 57.149 1.514 18844 4226 1 12 . 1 1 27 27 ASP CB C 27 40.931 40.931 40.741 0.190 18844 4227 1 12 . 1 1 27 27 ASP H H 27 7.581 7.581 8.348 -0.767 18844 4228 1 12 . 1 1 28 28 LEU N N 28 122.021 122.021 119.806 2.215 18844 4229 1 12 . 1 1 28 28 LEU HA H 28 4.083 4.083 4.217 -0.134 18844 4230 1 12 . 1 1 28 28 LEU CA C 28 58.772 58.772 57.748 1.024 18844 4231 1 12 . 1 1 28 28 LEU CB C 28 41.225 41.225 42.391 -1.166 18844 4232 1 12 . 1 1 28 28 LEU H H 28 7.837 7.837 7.440 0.397 18844 4233 1 12 . 1 1 29 29 LYS N N 29 119.086 119.086 119.594 -0.508 18844 4234 1 12 . 1 1 29 29 LYS HA H 29 4.520 4.520 3.952 0.568 18844 4235 1 12 . 1 1 29 29 LYS CA C 29 59.787 59.787 60.568 -0.781 18844 4236 1 12 . 1 1 29 29 LYS CB C 29 34.297 34.297 32.133 2.164 18844 4237 1 12 . 1 1 29 29 LYS H H 29 8.467 8.467 8.534 -0.067 18844 4238 1 12 . 1 1 30 30 GLN N N 30 119.268 119.268 118.786 0.482 18844 4239 1 12 . 1 1 30 30 GLN HA H 30 3.932 3.932 4.039 -0.107 18844 4240 1 12 . 1 1 30 30 GLN CA C 30 59.663 59.663 58.574 1.089 18844 4241 1 12 . 1 1 30 30 GLN CB C 30 27.806 27.806 28.042 -0.236 18844 4242 1 12 . 1 1 30 30 GLN H H 30 9.049 9.049 8.058 0.991 18844 4243 1 12 . 1 1 31 31 PHE N N 31 121.690 121.690 120.238 1.452 18844 4244 1 12 . 1 1 31 31 PHE HA H 31 4.218 4.218 4.312 -0.094 18844 4245 1 12 . 1 1 31 31 PHE CA C 31 61.967 61.967 60.407 1.560 18844 4246 1 12 . 1 1 31 31 PHE CB C 31 39.374 39.374 39.617 -0.243 18844 4247 1 12 . 1 1 31 31 PHE H H 31 8.039 8.039 7.432 0.607 18844 4248 1 12 . 1 1 32 32 LEU N N 32 118.232 118.232 118.101 0.131 18844 4249 1 12 . 1 1 32 32 LEU HA H 32 3.637 3.637 3.873 -0.236 18844 4250 1 12 . 1 1 32 32 LEU CA C 32 57.708 57.708 58.122 -0.414 18844 4251 1 12 . 1 1 32 32 LEU CB C 32 41.270 41.270 41.272 -0.002 18844 4252 1 12 . 1 1 32 32 LEU H H 32 8.776 8.776 8.440 0.336 18844 4253 1 12 . 1 1 33 33 LYS N N 33 125.920 125.920 118.244 7.676 18844 4254 1 12 . 1 1 33 33 LYS HA H 33 3.802 3.802 3.862 -0.060 18844 4255 1 12 . 1 1 33 33 LYS CA C 33 60.116 60.116 59.066 1.050 18844 4256 1 12 . 1 1 33 33 LYS CB C 33 31.701 31.701 31.464 0.237 18844 4257 1 12 . 1 1 33 33 LYS H H 33 8.237 8.237 8.441 -0.204 18844 4258 1 12 . 1 1 34 34 THR N N 34 114.544 114.544 112.339 2.205 18844 4259 1 12 . 1 1 34 34 THR HA H 34 3.773 3.773 4.103 -0.330 18844 4260 1 12 . 1 1 34 34 THR CA C 34 65.749 65.749 63.709 2.040 18844 4261 1 12 . 1 1 34 34 THR CB C 34 68.620 68.620 68.606 0.015 18844 4262 1 12 . 1 1 34 34 THR H H 34 7.281 7.281 7.091 0.190 18844 4263 1 12 . 1 1 35 35 LEU N N 35 117.590 117.590 120.354 -2.764 18844 4264 1 12 . 1 1 35 35 LEU HA H 35 4.018 4.018 4.125 -0.107 18844 4265 1 12 . 1 1 35 35 LEU CA C 35 57.015 57.015 57.099 -0.084 18844 4266 1 12 . 1 1 35 35 LEU CB C 35 44.003 44.003 42.531 1.472 18844 4267 1 12 . 1 1 35 35 LEU H H 35 6.752 6.752 7.626 -0.874 18844 4268 1 12 . 1 1 36 36 THR N N 36 104.865 104.865 109.197 -4.332 18844 4269 1 12 . 1 1 36 36 THR HA H 36 3.967 3.967 4.300 -0.333 18844 4270 1 12 . 1 1 36 36 THR CA C 36 62.756 62.756 61.891 0.865 18844 4271 1 12 . 1 1 36 36 THR CB C 36 72.343 72.343 69.834 2.509 18844 4272 1 12 . 1 1 36 36 THR H H 36 7.675 7.675 7.619 0.056 18844 4273 1 12 . 1 1 37 37 GLY N N 37 109.795 109.795 109.142 0.653 18844 4274 1 12 . 1 1 37 37 GLY CA C 37 45.559 45.559 44.570 0.989 18844 4275 1 12 . 1 1 37 37 GLY H H 37 7.971 7.971 7.343 0.628 18844 4276 1 12 . 1 1 38 38 VAL N N 38 122.557 122.557 118.870 3.687 18844 4277 1 12 . 1 1 38 38 VAL HA H 38 3.638 3.638 3.991 -0.353 18844 4278 1 12 . 1 1 38 38 VAL CA C 38 62.437 62.437 60.345 2.092 18844 4279 1 12 . 1 1 38 38 VAL CB C 38 31.390 31.390 33.448 -2.058 18844 4280 1 12 . 1 1 38 38 VAL H H 38 7.533 7.533 7.446 0.087 18844 4281 1 12 . 1 1 39 39 LEU N N 39 127.828 127.828 122.938 4.890 18844 4282 1 12 . 1 1 39 39 LEU HA H 39 3.994 3.994 4.400 -0.406 18844 4283 1 12 . 1 1 39 39 LEU CA C 39 54.437 54.437 53.267 1.170 18844 4284 1 12 . 1 1 39 39 LEU CB C 39 40.557 40.557 40.094 0.462 18844 4285 1 12 . 1 1 39 39 LEU H H 39 8.634 8.634 8.312 0.322 18844 4286 1 12 . 1 1 40 40 PRO HA H 40 3.839 3.839 4.617 -0.778 18844 4287 1 12 . 1 1 40 40 PRO CA C 40 66.989 66.989 64.653 2.336 18844 4288 1 12 . 1 1 40 40 PRO CB C 40 32.322 32.322 31.882 0.440 18844 4289 1 12 . 1 1 41 41 GLU N N 41 114.752 114.752 118.102 -3.350 18844 4290 1 12 . 1 1 41 41 GLU HA H 41 4.071 4.071 4.105 -0.034 18844 4291 1 12 . 1 1 41 41 GLU CA C 41 58.938 58.938 58.543 0.395 18844 4292 1 12 . 1 1 41 41 GLU CB C 41 28.824 28.824 29.237 -0.413 18844 4293 1 12 . 1 1 41 41 GLU H H 41 9.746 9.746 8.612 1.134 18844 4294 1 12 . 1 1 42 42 ARG N N 42 118.145 118.145 115.890 2.255 18844 4295 1 12 . 1 1 42 42 ARG HA H 42 4.315 4.315 4.459 -0.144 18844 4296 1 12 . 1 1 42 42 ARG CA C 42 55.448 55.448 56.852 -1.404 18844 4297 1 12 . 1 1 42 42 ARG CB C 42 31.105 31.105 31.768 -0.663 18844 4298 1 12 . 1 1 42 42 ARG H H 42 7.938 7.938 7.580 0.358 18844 4299 1 12 . 1 1 43 43 GLN N N 43 118.250 118.250 118.463 -0.213 18844 4300 1 12 . 1 1 43 43 GLN HA H 43 4.251 4.251 4.778 -0.527 18844 4301 1 12 . 1 1 43 43 GLN CA C 43 56.537 56.537 54.733 1.804 18844 4302 1 12 . 1 1 43 43 GLN CB C 43 30.992 30.992 30.917 0.075 18844 4303 1 12 . 1 1 43 43 GLN H H 43 7.034 7.034 7.794 -0.760 18844 4304 1 12 . 1 1 44 44 LYS N N 44 122.693 122.693 119.660 3.033 18844 4305 1 12 . 1 1 44 44 LYS HA H 44 4.464 4.464 4.739 -0.275 18844 4306 1 12 . 1 1 44 44 LYS CA C 44 55.552 55.552 54.542 1.010 18844 4307 1 12 . 1 1 44 44 LYS CB C 44 34.325 34.325 34.902 -0.577 18844 4308 1 12 . 1 1 44 44 LYS H H 44 8.806 8.806 8.967 -0.161 18844 4309 1 12 . 1 1 45 45 LEU N N 45 124.806 124.806 124.209 0.597 18844 4310 1 12 . 1 1 45 45 LEU HA H 45 4.943 4.943 4.249 0.694 18844 4311 1 12 . 1 1 45 45 LEU CA C 45 53.542 53.542 55.126 -1.584 18844 4312 1 12 . 1 1 45 45 LEU CB C 45 41.821 41.821 40.972 0.849 18844 4313 1 12 . 1 1 45 45 LEU H H 45 8.704 8.704 8.732 -0.028 18844 4314 1 12 . 1 1 46 46 LEU N N 46 124.709 124.709 125.622 -0.913 18844 4315 1 12 . 1 1 46 46 LEU HA H 46 4.358 4.358 4.406 -0.048 18844 4316 1 12 . 1 1 46 46 LEU CA C 46 55.759 55.759 56.825 -1.066 18844 4317 1 12 . 1 1 46 46 LEU CB C 46 42.526 42.526 41.760 0.766 18844 4318 1 12 . 1 1 46 46 LEU H H 46 8.751 8.751 7.915 0.836 18844 4319 1 12 . 1 1 47 47 GLY N N 47 109.276 109.276 107.655 1.621 18844 4320 1 12 . 1 1 47 47 GLY CA C 47 45.560 45.560 44.803 0.757 18844 4321 1 12 . 1 1 47 47 GLY H H 47 8.300 8.300 8.390 -0.090 18844 4322 1 12 . 1 1 48 48 LEU N N 48 119.707 119.707 117.412 2.295 18844 4323 1 12 . 1 1 48 48 LEU HA H 48 4.590 4.590 4.270 0.320 18844 4324 1 12 . 1 1 48 48 LEU CA C 48 53.945 53.945 56.118 -2.173 18844 4325 1 12 . 1 1 48 48 LEU CB C 48 41.414 41.414 41.661 -0.247 18844 4326 1 12 . 1 1 48 48 LEU H H 48 7.581 7.581 7.468 0.113 18844 4327 1 12 . 1 1 49 49 LYS N N 49 124.527 124.527 117.106 7.421 18844 4328 1 12 . 1 1 49 49 LYS HA H 49 4.852 4.852 4.769 0.083 18844 4329 1 12 . 1 1 49 49 LYS CA C 49 55.663 55.663 54.492 1.171 18844 4330 1 12 . 1 1 49 49 LYS CB C 49 37.581 37.581 35.059 2.522 18844 4331 1 12 . 1 1 49 49 LYS H H 49 8.606 8.606 7.134 1.472 18844 4332 1 12 . 1 1 50 50 VAL N N 50 119.184 119.184 120.940 -1.756 18844 4333 1 12 . 1 1 50 50 VAL HA H 50 4.113 4.113 4.325 -0.212 18844 4334 1 12 . 1 1 50 50 VAL CA C 50 61.865 61.865 61.054 0.811 18844 4335 1 12 . 1 1 50 50 VAL CB C 50 34.734 34.734 35.147 -0.413 18844 4336 1 12 . 1 1 50 50 VAL H H 50 8.799 8.799 8.386 0.413 18844 4337 1 12 . 1 1 51 51 LYS N N 51 127.069 127.069 126.787 0.282 18844 4338 1 12 . 1 1 51 51 LYS HA H 51 3.824 3.824 3.954 -0.130 18844 4339 1 12 . 1 1 51 51 LYS CA C 51 57.407 57.407 57.068 0.339 18844 4340 1 12 . 1 1 51 51 LYS CB C 51 30.655 30.655 30.815 -0.160 18844 4341 1 12 . 1 1 51 51 LYS H H 51 9.451 9.451 9.159 0.292 18844 4342 1 12 . 1 1 52 52 GLY N N 52 102.671 102.671 103.570 -0.899 18844 4343 1 12 . 1 1 52 52 GLY CA C 52 45.810 45.810 45.100 0.710 18844 4344 1 12 . 1 1 52 52 GLY H H 52 8.512 8.512 8.176 0.336 18844 4345 1 12 . 1 1 53 53 LYS N N 53 121.307 121.307 121.860 -0.553 18844 4346 1 12 . 1 1 53 53 LYS HA H 53 4.829 4.829 4.647 0.182 18844 4347 1 12 . 1 1 53 53 LYS CA C 53 53.616 53.616 53.027 0.589 18844 4348 1 12 . 1 1 53 53 LYS CB C 53 33.940 33.940 32.600 1.339 18844 4349 1 12 . 1 1 53 53 LYS H H 53 7.781 7.781 7.868 -0.087 18844 4350 1 12 . 1 1 54 54 PRO HA H 54 4.376 4.376 4.305 0.071 18844 4351 1 12 . 1 1 54 54 PRO CA C 54 63.817 63.817 64.058 -0.241 18844 4352 1 12 . 1 1 54 54 PRO CB C 54 32.151 32.151 31.881 0.270 18844 4353 1 12 . 1 1 55 55 ALA N N 55 125.654 125.654 120.086 5.568 18844 4354 1 12 . 1 1 55 55 ALA HA H 55 4.138 4.138 3.958 0.180 18844 4355 1 12 . 1 1 55 55 ALA CA C 55 52.664 52.664 52.781 -0.117 18844 4356 1 12 . 1 1 55 55 ALA CB C 55 20.044 20.044 17.723 2.321 18844 4357 1 12 . 1 1 55 55 ALA H H 55 8.114 8.114 7.988 0.126 18844 4358 1 12 . 1 1 56 56 GLU N N 56 122.313 122.313 118.510 3.803 18844 4359 1 12 . 1 1 56 56 GLU HA H 56 4.215 4.215 4.024 0.191 18844 4360 1 12 . 1 1 56 56 GLU CA C 56 56.089 56.089 59.270 -3.181 18844 4361 1 12 . 1 1 56 56 GLU CB C 56 31.086 31.086 30.087 0.999 18844 4362 1 12 . 1 1 56 56 GLU H H 56 8.179 8.179 8.691 -0.512 18844 4363 1 12 . 1 1 57 57 ASN N N 57 115.140 115.140 110.001 5.139 18844 4364 1 12 . 1 1 57 57 ASN HA H 57 4.229 4.229 4.692 -0.463 18844 4365 1 12 . 1 1 57 57 ASN CA C 57 55.199 55.199 53.868 1.331 18844 4366 1 12 . 1 1 57 57 ASN CB C 57 39.227 39.227 38.449 0.778 18844 4367 1 12 . 1 1 57 57 ASN H H 57 8.504 8.504 7.958 0.546 18844 4368 1 12 . 1 1 58 58 ASP N N 58 112.832 112.832 119.853 -7.021 18844 4369 1 12 . 1 1 58 58 ASP HA H 58 4.488 4.488 4.487 0.001 18844 4370 1 12 . 1 1 58 58 ASP CA C 58 53.608 53.608 54.746 -1.138 18844 4371 1 12 . 1 1 58 58 ASP CB C 58 40.304 40.304 40.841 -0.537 18844 4372 1 12 . 1 1 58 58 ASP H H 58 8.198 8.198 8.406 -0.208 18844 4373 1 12 . 1 1 59 59 VAL N N 59 122.073 122.073 120.066 2.007 18844 4374 1 12 . 1 1 59 59 VAL HA H 59 3.593 3.593 4.010 -0.417 18844 4375 1 12 . 1 1 59 59 VAL CA C 59 63.840 63.840 62.264 1.577 18844 4376 1 12 . 1 1 59 59 VAL CB C 59 32.322 32.322 32.479 -0.157 18844 4377 1 12 . 1 1 59 59 VAL H H 59 7.353 7.353 7.594 -0.241 18844 4378 1 12 . 1 1 60 60 LYS N N 60 125.064 125.064 123.739 1.325 18844 4379 1 12 . 1 1 60 60 LYS HA H 60 4.447 4.447 4.660 -0.213 18844 4380 1 12 . 1 1 60 60 LYS CA C 60 56.185 56.185 55.292 0.893 18844 4381 1 12 . 1 1 60 60 LYS CB C 60 33.105 33.105 33.875 -0.770 18844 4382 1 12 . 1 1 60 60 LYS H H 60 8.339 8.339 8.243 0.096 18844 4383 1 12 . 1 1 61 61 LEU N N 61 121.612 121.612 122.195 -0.583 18844 4384 1 12 . 1 1 61 61 LEU HA H 61 3.776 3.776 3.998 -0.222 18844 4385 1 12 . 1 1 61 61 LEU CA C 61 57.987 57.987 58.102 -0.115 18844 4386 1 12 . 1 1 61 61 LEU CB C 61 40.832 40.832 41.773 -0.941 18844 4387 1 12 . 1 1 61 61 LEU H H 61 9.423 9.423 8.788 0.635 18844 4388 1 12 . 1 1 62 62 GLY N N 62 104.008 104.008 103.131 0.877 18844 4389 1 12 . 1 1 62 62 GLY CA C 62 46.772 46.772 45.721 1.051 18844 4390 1 12 . 1 1 62 62 GLY H H 62 9.107 9.107 8.264 0.843 18844 4391 1 12 . 1 1 63 63 ALA N N 63 122.025 122.025 123.913 -1.888 18844 4392 1 12 . 1 1 63 63 ALA HA H 63 4.273 4.273 4.274 -0.001 18844 4393 1 12 . 1 1 63 63 ALA CA C 63 53.421 53.421 54.102 -0.681 18844 4394 1 12 . 1 1 63 63 ALA CB C 63 18.816 18.816 18.541 0.275 18844 4395 1 12 . 1 1 63 63 ALA H H 63 7.755 7.755 7.694 0.061 18844 4396 1 12 . 1 1 64 64 LEU N N 64 115.454 115.454 115.799 -0.345 18844 4397 1 12 . 1 1 64 64 LEU HA H 64 4.068 4.068 4.129 -0.061 18844 4398 1 12 . 1 1 64 64 LEU CA C 64 55.567 55.567 55.771 -0.204 18844 4399 1 12 . 1 1 64 64 LEU CB C 64 42.136 42.136 42.266 -0.130 18844 4400 1 12 . 1 1 64 64 LEU H H 64 7.214 7.214 7.561 -0.347 18844 4401 1 12 . 1 1 65 65 LYS N N 65 114.830 114.830 113.573 1.257 18844 4402 1 12 . 1 1 65 65 LYS HA H 65 3.838 3.838 3.867 -0.029 18844 4403 1 12 . 1 1 65 65 LYS CA C 65 56.737 56.737 56.652 0.085 18844 4404 1 12 . 1 1 65 65 LYS CB C 65 29.307 29.307 29.186 0.121 18844 4405 1 12 . 1 1 65 65 LYS H H 65 7.642 7.642 7.629 0.013 18844 4406 1 12 . 1 1 66 66 LEU N N 66 119.305 119.305 120.187 -0.882 18844 4407 1 12 . 1 1 66 66 LEU HA H 66 4.163 4.163 4.334 -0.171 18844 4408 1 12 . 1 1 66 66 LEU CA C 66 54.847 54.847 54.506 0.341 18844 4409 1 12 . 1 1 66 66 LEU CB C 66 42.712 42.712 42.968 -0.256 18844 4410 1 12 . 1 1 66 66 LEU H H 66 8.516 8.516 7.645 0.871 18844 4411 1 12 . 1 1 67 67 LYS N N 67 121.480 121.480 122.385 -0.905 18844 4412 1 12 . 1 1 67 67 LYS HA H 67 4.497 4.497 4.402 0.095 18844 4413 1 12 . 1 1 67 67 LYS CA C 67 54.152 54.152 55.567 -1.415 18844 4414 1 12 . 1 1 67 67 LYS CB C 67 31.999 31.999 32.362 -0.363 18844 4415 1 12 . 1 1 67 67 LYS H H 67 7.955 7.955 8.142 -0.187 18844 4416 1 12 . 1 1 68 68 PRO HA H 68 4.169 4.169 4.695 -0.526 18844 4417 1 12 . 1 1 68 68 PRO CA C 68 64.389 64.389 65.190 -0.801 18844 4418 1 12 . 1 1 68 68 PRO CB C 68 32.214 32.214 32.223 -0.009 18844 4419 1 12 . 1 1 69 69 ASN N N 69 115.414 115.414 116.347 -0.933 18844 4420 1 12 . 1 1 69 69 ASN HA H 69 3.962 3.962 4.644 -0.682 18844 4421 1 12 . 1 1 69 69 ASN CA C 69 55.021 55.021 53.696 1.325 18844 4422 1 12 . 1 1 69 69 ASN CB C 69 37.047 37.047 37.718 -0.671 18844 4423 1 12 . 1 1 69 69 ASN H H 69 8.966 8.966 8.363 0.603 18844 4424 1 12 . 1 1 70 70 THR N N 70 115.426 115.426 117.602 -2.176 18844 4425 1 12 . 1 1 70 70 THR HA H 70 3.949 3.949 4.110 -0.161 18844 4426 1 12 . 1 1 70 70 THR CA C 70 65.247 65.247 64.029 1.218 18844 4427 1 12 . 1 1 70 70 THR CB C 70 70.132 70.132 69.587 0.545 18844 4428 1 12 . 1 1 70 70 THR H H 70 7.712 7.712 7.695 0.017 18844 4429 1 12 . 1 1 71 71 LYS N N 71 124.603 124.603 125.678 -1.075 18844 4430 1 12 . 1 1 71 71 LYS HA H 71 5.179 5.179 5.003 0.176 18844 4431 1 12 . 1 1 71 71 LYS CA C 71 55.340 55.340 55.412 -0.072 18844 4432 1 12 . 1 1 71 71 LYS CB C 71 33.729 33.729 33.930 -0.201 18844 4433 1 12 . 1 1 71 71 LYS H H 71 8.284 8.284 8.263 0.021 18844 4434 1 12 . 1 1 72 72 ILE N N 72 123.505 123.505 123.634 -0.129 18844 4435 1 12 . 1 1 72 72 ILE HA H 72 4.511 4.511 4.385 0.126 18844 4436 1 12 . 1 1 72 72 ILE CA C 72 59.636 59.636 59.236 0.400 18844 4437 1 12 . 1 1 72 72 ILE CB C 72 40.827 40.827 39.392 1.435 18844 4438 1 12 . 1 1 72 72 ILE H H 72 9.142 9.142 8.416 0.726 18844 4439 1 12 . 1 1 73 73 MET N N 73 123.090 123.090 125.888 -2.798 18844 4440 1 12 . 1 1 73 73 MET HA H 73 5.122 5.122 5.099 0.023 18844 4441 1 12 . 1 1 73 73 MET CA C 73 54.949 54.949 55.268 -0.319 18844 4442 1 12 . 1 1 73 73 MET CB C 73 35.143 35.143 35.033 0.110 18844 4443 1 12 . 1 1 73 73 MET H H 73 8.556 8.556 8.914 -0.358 18844 4444 1 12 . 1 1 74 74 MET N N 74 124.481 124.481 121.205 3.276 18844 4445 1 12 . 1 1 74 74 MET HA H 74 5.288 5.288 4.937 0.351 18844 4446 1 12 . 1 1 74 74 MET CA C 74 54.862 54.862 55.080 -0.218 18844 4447 1 12 . 1 1 74 74 MET CB C 74 36.294 36.294 35.174 1.120 18844 4448 1 12 . 1 1 74 74 MET H H 74 8.924 8.924 8.743 0.181 18844 4449 1 12 . 1 1 75 75 MET N N 75 123.963 123.963 123.557 0.406 18844 4450 1 12 . 1 1 75 75 MET HA H 75 5.093 5.093 5.026 0.067 18844 4451 1 12 . 1 1 75 75 MET CA C 75 54.265 54.265 54.413 -0.148 18844 4452 1 12 . 1 1 75 75 MET CB C 75 35.566 35.566 33.922 1.644 18844 4453 1 12 . 1 1 75 75 MET H H 75 9.112 9.112 8.357 0.755 18844 4454 1 12 . 1 1 76 76 GLY N N 76 109.773 109.773 111.725 -1.952 18844 4455 1 12 . 1 1 76 76 GLY CA C 76 45.901 45.901 45.371 0.530 18844 4456 1 12 . 1 1 76 76 GLY H H 76 8.711 8.711 8.743 -0.032 18844 4457 1 12 . 1 1 77 77 THR N N 77 113.345 113.345 114.171 -0.826 18844 4458 1 12 . 1 1 77 77 THR HA H 77 4.787 4.787 4.703 0.084 18844 4459 1 12 . 1 1 77 77 THR CA C 77 60.728 60.728 60.302 0.426 18844 4460 1 12 . 1 1 77 77 THR CB C 77 71.481 71.481 71.094 0.387 18844 4461 1 12 . 1 1 77 77 THR H H 77 8.280 8.280 8.282 -0.002 18844 4462 1 12 . 1 1 78 78 ARG N N 78 122.844 122.844 124.108 -1.264 18844 4463 1 12 . 1 1 78 78 ARG HA H 78 4.148 4.148 4.195 -0.047 18844 4464 1 12 . 1 1 78 78 ARG CA C 78 56.881 56.881 56.579 0.302 18844 4465 1 12 . 1 1 78 78 ARG CB C 78 31.607 31.607 30.739 0.868 18844 4466 1 12 . 1 1 78 78 ARG H H 78 8.852 8.852 8.506 0.346 18844 4467 1 12 . 1 1 79 79 GLU N N 79 122.181 122.181 121.080 1.101 18844 4468 1 12 . 1 1 79 79 GLU HA H 79 4.206 4.206 4.047 0.159 18844 4469 1 12 . 1 1 79 79 GLU CA C 79 57.007 57.007 57.277 -0.270 18844 4470 1 12 . 1 1 79 79 GLU CB C 79 30.764 30.764 30.132 0.632 18844 4471 1 12 . 1 1 79 79 GLU H H 79 8.300 8.300 8.493 -0.193 18844 4472 1 12 . 1 1 80 80 GLU N N 80 126.965 126.965 120.616 6.349 18844 4473 1 12 . 1 1 80 80 GLU HA H 80 4.049 4.049 4.589 -0.540 18844 4474 1 12 . 1 1 80 80 GLU CA C 80 58.328 58.328 55.934 2.394 18844 4475 1 12 . 1 1 80 80 GLU CB C 80 31.287 31.287 31.327 -0.040 18844 4476 1 12 . 1 1 80 80 GLU H H 80 8.015 8.015 8.638 -0.623 18844 4477 1 13 . 1 1 2 2 ALA N N 2 126.014 126.014 123.400 2.614 18844 4478 1 13 . 1 1 2 2 ALA HA H 2 4.033 4.033 4.523 -0.490 18844 4479 1 13 . 1 1 2 2 ALA CA C 2 53.215 53.215 51.605 1.610 18844 4480 1 13 . 1 1 2 2 ALA CB C 2 19.376 19.376 19.726 -0.350 18844 4481 1 13 . 1 1 2 2 ALA H H 2 8.410 8.410 8.273 0.137 18844 4482 1 13 . 1 1 3 3 LEU N N 3 123.255 123.255 122.891 0.364 18844 4483 1 13 . 1 1 3 3 LEU HA H 3 4.646 4.646 4.679 -0.033 18844 4484 1 13 . 1 1 3 3 LEU CA C 3 51.817 51.817 51.897 -0.080 18844 4485 1 13 . 1 1 3 3 LEU CB C 3 43.557 43.557 43.027 0.530 18844 4486 1 13 . 1 1 3 3 LEU H H 3 8.271 8.271 8.398 -0.127 18844 4487 1 13 . 1 1 4 4 PRO HA H 4 4.606 4.606 4.650 -0.044 18844 4488 1 13 . 1 1 4 4 PRO CA C 4 63.240 63.240 62.541 0.699 18844 4489 1 13 . 1 1 4 4 PRO CB C 4 32.070 32.070 33.024 -0.954 18844 4490 1 13 . 1 1 5 5 ILE N N 5 122.161 122.161 118.249 3.912 18844 4491 1 13 . 1 1 5 5 ILE HA H 5 4.359 4.359 4.820 -0.461 18844 4492 1 13 . 1 1 5 5 ILE CA C 5 60.833 60.833 60.448 0.385 18844 4493 1 13 . 1 1 5 5 ILE CB C 5 43.943 43.943 42.732 1.211 18844 4494 1 13 . 1 1 5 5 ILE H H 5 8.317 8.317 7.680 0.637 18844 4495 1 13 . 1 1 6 6 ILE N N 6 125.649 125.649 126.488 -0.839 18844 4496 1 13 . 1 1 6 6 ILE HA H 6 4.921 4.921 4.689 0.232 18844 4497 1 13 . 1 1 6 6 ILE CA C 6 59.865 59.865 61.002 -1.137 18844 4498 1 13 . 1 1 6 6 ILE CB C 6 40.264 40.264 40.292 -0.028 18844 4499 1 13 . 1 1 6 6 ILE H H 6 8.408 8.408 8.359 0.049 18844 4500 1 13 . 1 1 7 7 VAL N N 7 125.741 125.741 127.043 -1.302 18844 4501 1 13 . 1 1 7 7 VAL HA H 7 4.930 4.930 4.630 0.300 18844 4502 1 13 . 1 1 7 7 VAL CA C 7 60.363 60.363 59.562 0.801 18844 4503 1 13 . 1 1 7 7 VAL CB C 7 34.759 34.759 35.026 -0.267 18844 4504 1 13 . 1 1 7 7 VAL H H 7 9.155 9.155 9.140 0.015 18844 4505 1 13 . 1 1 8 8 LYS N N 8 128.098 128.098 128.787 -0.689 18844 4506 1 13 . 1 1 8 8 LYS HA H 8 5.232 5.232 5.443 -0.211 18844 4507 1 13 . 1 1 8 8 LYS CA C 8 55.275 55.275 54.559 0.716 18844 4508 1 13 . 1 1 8 8 LYS CB C 8 34.935 34.935 34.137 0.798 18844 4509 1 13 . 1 1 8 8 LYS H H 8 9.174 9.174 8.812 0.362 18844 4510 1 13 . 1 1 9 9 TRP N N 9 125.952 125.952 128.150 -2.198 18844 4511 1 13 . 1 1 9 9 TRP HA H 9 5.185 5.185 4.894 0.291 18844 4512 1 13 . 1 1 9 9 TRP CA C 9 57.734 57.734 56.556 1.178 18844 4513 1 13 . 1 1 9 9 TRP CB C 9 31.561 31.561 31.228 0.333 18844 4514 1 13 . 1 1 9 9 TRP H H 9 8.844 8.844 8.389 0.455 18844 4515 1 13 . 1 1 10 10 GLY N N 10 117.044 117.044 116.318 0.726 18844 4516 1 13 . 1 1 10 10 GLY CA C 10 47.101 47.101 45.427 1.674 18844 4517 1 13 . 1 1 10 10 GLY H H 10 8.683 8.683 8.677 0.006 18844 4518 1 13 . 1 1 11 11 GLY N N 11 109.364 109.364 111.565 -2.201 18844 4519 1 13 . 1 1 11 11 GLY CA C 11 45.460 45.460 45.064 0.396 18844 4520 1 13 . 1 1 11 11 GLY H H 11 8.600 8.600 8.065 0.535 18844 4521 1 13 . 1 1 12 12 GLN N N 12 119.388 119.388 120.000 -0.612 18844 4522 1 13 . 1 1 12 12 GLN HA H 12 4.483 4.483 4.547 -0.064 18844 4523 1 13 . 1 1 12 12 GLN CA C 12 54.502 54.502 54.835 -0.333 18844 4524 1 13 . 1 1 12 12 GLN CB C 12 32.178 32.178 31.725 0.453 18844 4525 1 13 . 1 1 12 12 GLN H H 12 7.865 7.865 7.678 0.187 18844 4526 1 13 . 1 1 13 13 GLU N N 13 119.756 119.756 121.857 -2.101 18844 4527 1 13 . 1 1 13 13 GLU HA H 13 4.880 4.880 4.842 0.038 18844 4528 1 13 . 1 1 13 13 GLU CA C 13 55.655 55.655 55.444 0.210 18844 4529 1 13 . 1 1 13 13 GLU CB C 13 32.306 32.306 31.817 0.489 18844 4530 1 13 . 1 1 13 13 GLU H H 13 8.172 8.172 8.485 -0.313 18844 4531 1 13 . 1 1 14 14 TYR N N 14 122.812 122.812 122.112 0.700 18844 4532 1 13 . 1 1 14 14 TYR HA H 14 4.601 4.601 4.756 -0.155 18844 4533 1 13 . 1 1 14 14 TYR CA C 14 57.246 57.246 56.840 0.406 18844 4534 1 13 . 1 1 14 14 TYR CB C 14 40.544 40.544 41.313 -0.770 18844 4535 1 13 . 1 1 14 14 TYR H H 14 9.381 9.381 8.909 0.472 18844 4536 1 13 . 1 1 15 15 SER N N 15 118.339 118.339 118.791 -0.452 18844 4537 1 13 . 1 1 15 15 SER HA H 15 4.747 4.747 4.563 0.184 18844 4538 1 13 . 1 1 15 15 SER CA C 15 58.099 58.099 58.048 0.050 18844 4539 1 13 . 1 1 15 15 SER CB C 15 63.394 63.394 63.701 -0.307 18844 4540 1 13 . 1 1 15 15 SER H H 15 8.802 8.802 8.634 0.168 18844 4541 1 13 . 1 1 16 16 VAL N N 16 128.611 128.611 125.354 3.257 18844 4542 1 13 . 1 1 16 16 VAL HA H 16 4.205 4.205 4.337 -0.132 18844 4543 1 13 . 1 1 16 16 VAL CA C 16 62.344 62.344 62.457 -0.113 18844 4544 1 13 . 1 1 16 16 VAL CB C 16 32.528 32.528 32.859 -0.331 18844 4545 1 13 . 1 1 16 16 VAL H H 16 9.005 9.005 8.753 0.252 18844 4546 1 13 . 1 1 17 17 THR N N 17 116.170 116.170 119.081 -2.911 18844 4547 1 13 . 1 1 17 17 THR HA H 17 4.533 4.533 4.674 -0.141 18844 4548 1 13 . 1 1 17 17 THR CA C 17 62.331 62.331 61.740 0.591 18844 4549 1 13 . 1 1 17 17 THR CB C 17 70.040 70.040 68.805 1.235 18844 4550 1 13 . 1 1 17 17 THR H H 17 8.746 8.746 8.573 0.173 18844 4551 1 13 . 1 1 18 18 THR N N 18 107.517 107.517 116.143 -8.626 18844 4552 1 13 . 1 1 18 18 THR HA H 18 4.173 4.173 4.159 0.014 18844 4553 1 13 . 1 1 18 18 THR CA C 18 61.772 61.772 62.962 -1.190 18844 4554 1 13 . 1 1 18 18 THR CB C 18 69.121 69.121 68.930 0.191 18844 4555 1 13 . 1 1 18 18 THR H H 18 6.812 6.812 8.047 -1.235 18844 4556 1 13 . 1 1 19 19 LEU N N 19 123.019 123.019 123.260 -0.241 18844 4557 1 13 . 1 1 19 19 LEU HA H 19 4.583 4.583 4.427 0.156 18844 4558 1 13 . 1 1 19 19 LEU CA C 19 54.180 54.180 54.256 -0.076 18844 4559 1 13 . 1 1 19 19 LEU CB C 19 42.711 42.711 43.086 -0.375 18844 4560 1 13 . 1 1 19 19 LEU H H 19 8.388 8.388 7.678 0.710 18844 4561 1 13 . 1 1 20 20 SER N N 20 117.870 117.870 115.420 2.450 18844 4562 1 13 . 1 1 20 20 SER HA H 20 4.863 4.863 4.938 -0.075 18844 4563 1 13 . 1 1 20 20 SER CA C 20 56.832 56.832 56.670 0.162 18844 4564 1 13 . 1 1 20 20 SER CB C 20 67.845 67.845 66.491 1.354 18844 4565 1 13 . 1 1 20 20 SER H H 20 9.714 9.714 8.892 0.822 18844 4566 1 13 . 1 1 21 21 GLU N N 21 116.130 116.130 122.429 -6.299 18844 4567 1 13 . 1 1 21 21 GLU HA H 21 3.740 3.740 4.008 -0.268 18844 4568 1 13 . 1 1 21 21 GLU CA C 21 59.134 59.134 59.539 -0.405 18844 4569 1 13 . 1 1 21 21 GLU CB C 21 30.854 30.854 29.442 1.412 18844 4570 1 13 . 1 1 21 21 GLU H H 21 8.491 8.491 8.922 -0.431 18844 4571 1 13 . 1 1 22 22 ASP N N 22 115.741 115.741 117.214 -1.473 18844 4572 1 13 . 1 1 22 22 ASP HA H 22 4.650 4.650 4.605 0.045 18844 4573 1 13 . 1 1 22 22 ASP CA C 22 55.156 55.156 55.805 -0.649 18844 4574 1 13 . 1 1 22 22 ASP CB C 22 42.579 42.579 40.916 1.663 18844 4575 1 13 . 1 1 22 22 ASP H H 22 7.936 7.936 8.538 -0.602 18844 4576 1 13 . 1 1 23 23 ASP N N 23 119.945 119.945 117.512 2.433 18844 4577 1 13 . 1 1 23 23 ASP HA H 23 4.841 4.841 4.813 0.028 18844 4578 1 13 . 1 1 23 23 ASP CA C 23 55.223 55.223 53.870 1.353 18844 4579 1 13 . 1 1 23 23 ASP CB C 23 42.782 42.782 42.743 0.039 18844 4580 1 13 . 1 1 23 23 ASP H H 23 7.313 7.313 8.031 -0.718 18844 4581 1 13 . 1 1 24 24 THR N N 24 107.918 107.918 109.031 -1.113 18844 4582 1 13 . 1 1 24 24 THR HA H 24 5.328 5.328 4.818 0.510 18844 4583 1 13 . 1 1 24 24 THR CA C 24 60.989 60.989 60.063 0.926 18844 4584 1 13 . 1 1 24 24 THR CB C 24 74.287 74.287 72.551 1.736 18844 4585 1 13 . 1 1 24 24 THR H H 24 9.630 9.630 7.762 1.868 18844 4586 1 13 . 1 1 25 25 VAL N N 25 120.192 120.192 121.381 -1.189 18844 4587 1 13 . 1 1 25 25 VAL HA H 25 3.334 3.334 3.640 -0.306 18844 4588 1 13 . 1 1 25 25 VAL CA C 25 67.626 67.626 67.071 0.555 18844 4589 1 13 . 1 1 25 25 VAL CB C 25 32.149 32.149 31.794 0.355 18844 4590 1 13 . 1 1 25 25 VAL H H 25 8.260 8.260 8.719 -0.459 18844 4591 1 13 . 1 1 26 26 LEU N N 26 119.941 119.941 118.263 1.678 18844 4592 1 13 . 1 1 26 26 LEU HA H 26 3.872 3.872 3.987 -0.115 18844 4593 1 13 . 1 1 26 26 LEU CA C 26 58.592 58.592 58.235 0.357 18844 4594 1 13 . 1 1 26 26 LEU CB C 26 41.716 41.716 41.191 0.525 18844 4595 1 13 . 1 1 26 26 LEU H H 26 8.523 8.523 7.279 1.244 18844 4596 1 13 . 1 1 27 27 ASP N N 27 118.322 118.322 118.635 -0.313 18844 4597 1 13 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.439 -0.166 18844 4598 1 13 . 1 1 27 27 ASP CA C 27 58.663 58.663 56.997 1.666 18844 4599 1 13 . 1 1 27 27 ASP CB C 27 40.931 40.931 40.637 0.294 18844 4600 1 13 . 1 1 27 27 ASP H H 27 7.581 7.581 8.315 -0.734 18844 4601 1 13 . 1 1 28 28 LEU N N 28 122.021 122.021 120.245 1.776 18844 4602 1 13 . 1 1 28 28 LEU HA H 28 4.083 4.083 4.199 -0.116 18844 4603 1 13 . 1 1 28 28 LEU CA C 28 58.772 58.772 57.602 1.170 18844 4604 1 13 . 1 1 28 28 LEU CB C 28 41.225 41.225 42.415 -1.190 18844 4605 1 13 . 1 1 28 28 LEU H H 28 7.837 7.837 7.459 0.378 18844 4606 1 13 . 1 1 29 29 LYS N N 29 119.086 119.086 119.546 -0.460 18844 4607 1 13 . 1 1 29 29 LYS HA H 29 4.520 4.520 3.949 0.571 18844 4608 1 13 . 1 1 29 29 LYS CA C 29 59.787 59.787 60.512 -0.725 18844 4609 1 13 . 1 1 29 29 LYS CB C 29 34.297 34.297 32.129 2.168 18844 4610 1 13 . 1 1 29 29 LYS H H 29 8.467 8.467 8.529 -0.062 18844 4611 1 13 . 1 1 30 30 GLN N N 30 119.268 119.268 118.770 0.498 18844 4612 1 13 . 1 1 30 30 GLN HA H 30 3.932 3.932 4.038 -0.106 18844 4613 1 13 . 1 1 30 30 GLN CA C 30 59.663 59.663 58.562 1.101 18844 4614 1 13 . 1 1 30 30 GLN CB C 30 27.806 27.806 28.016 -0.210 18844 4615 1 13 . 1 1 30 30 GLN H H 30 9.049 9.049 8.045 1.004 18844 4616 1 13 . 1 1 31 31 PHE N N 31 121.690 121.690 120.203 1.487 18844 4617 1 13 . 1 1 31 31 PHE HA H 31 4.218 4.218 4.307 -0.089 18844 4618 1 13 . 1 1 31 31 PHE CA C 31 61.967 61.967 60.513 1.454 18844 4619 1 13 . 1 1 31 31 PHE CB C 31 39.374 39.374 39.639 -0.265 18844 4620 1 13 . 1 1 31 31 PHE H H 31 8.039 8.039 7.440 0.599 18844 4621 1 13 . 1 1 32 32 LEU N N 32 118.232 118.232 118.109 0.123 18844 4622 1 13 . 1 1 32 32 LEU HA H 32 3.637 3.637 4.014 -0.377 18844 4623 1 13 . 1 1 32 32 LEU CA C 32 57.708 57.708 58.218 -0.510 18844 4624 1 13 . 1 1 32 32 LEU CB C 32 41.270 41.270 41.302 -0.032 18844 4625 1 13 . 1 1 32 32 LEU H H 32 8.776 8.776 8.410 0.366 18844 4626 1 13 . 1 1 33 33 LYS N N 33 125.920 125.920 118.729 7.191 18844 4627 1 13 . 1 1 33 33 LYS HA H 33 3.802 3.802 3.903 -0.101 18844 4628 1 13 . 1 1 33 33 LYS CA C 33 60.116 60.116 59.186 0.930 18844 4629 1 13 . 1 1 33 33 LYS CB C 33 31.701 31.701 31.572 0.129 18844 4630 1 13 . 1 1 33 33 LYS H H 33 8.237 8.237 8.521 -0.284 18844 4631 1 13 . 1 1 34 34 THR N N 34 114.544 114.544 112.133 2.411 18844 4632 1 13 . 1 1 34 34 THR HA H 34 3.773 3.773 4.099 -0.326 18844 4633 1 13 . 1 1 34 34 THR CA C 34 65.749 65.749 64.558 1.191 18844 4634 1 13 . 1 1 34 34 THR CB C 34 68.620 68.620 68.757 -0.137 18844 4635 1 13 . 1 1 34 34 THR H H 34 7.281 7.281 7.105 0.176 18844 4636 1 13 . 1 1 35 35 LEU N N 35 117.590 117.590 120.792 -3.202 18844 4637 1 13 . 1 1 35 35 LEU HA H 35 4.018 4.018 4.124 -0.106 18844 4638 1 13 . 1 1 35 35 LEU CA C 35 57.015 57.015 57.154 -0.140 18844 4639 1 13 . 1 1 35 35 LEU CB C 35 44.003 44.003 42.456 1.547 18844 4640 1 13 . 1 1 35 35 LEU H H 35 6.752 6.752 7.605 -0.853 18844 4641 1 13 . 1 1 36 36 THR N N 36 104.865 104.865 109.970 -5.105 18844 4642 1 13 . 1 1 36 36 THR HA H 36 3.967 3.967 4.350 -0.383 18844 4643 1 13 . 1 1 36 36 THR CA C 36 62.756 62.756 62.104 0.652 18844 4644 1 13 . 1 1 36 36 THR CB C 36 72.343 72.343 70.513 1.830 18844 4645 1 13 . 1 1 36 36 THR H H 36 7.675 7.675 7.646 0.029 18844 4646 1 13 . 1 1 37 37 GLY N N 37 109.795 109.795 109.316 0.479 18844 4647 1 13 . 1 1 37 37 GLY CA C 37 45.559 45.559 44.497 1.062 18844 4648 1 13 . 1 1 37 37 GLY H H 37 7.971 7.971 7.401 0.570 18844 4649 1 13 . 1 1 38 38 VAL N N 38 122.557 122.557 119.043 3.514 18844 4650 1 13 . 1 1 38 38 VAL HA H 38 3.638 3.638 4.075 -0.437 18844 4651 1 13 . 1 1 38 38 VAL CA C 38 62.437 62.437 60.384 2.053 18844 4652 1 13 . 1 1 38 38 VAL CB C 38 31.390 31.390 33.589 -2.199 18844 4653 1 13 . 1 1 38 38 VAL H H 38 7.533 7.533 7.541 -0.008 18844 4654 1 13 . 1 1 39 39 LEU N N 39 127.828 127.828 123.007 4.821 18844 4655 1 13 . 1 1 39 39 LEU HA H 39 3.994 3.994 4.387 -0.393 18844 4656 1 13 . 1 1 39 39 LEU CA C 39 54.437 54.437 53.393 1.044 18844 4657 1 13 . 1 1 39 39 LEU CB C 39 40.557 40.557 40.113 0.444 18844 4658 1 13 . 1 1 39 39 LEU H H 39 8.634 8.634 8.350 0.284 18844 4659 1 13 . 1 1 40 40 PRO HA H 40 3.839 3.839 4.696 -0.857 18844 4660 1 13 . 1 1 40 40 PRO CA C 40 66.989 66.989 64.712 2.277 18844 4661 1 13 . 1 1 40 40 PRO CB C 40 32.322 32.322 31.966 0.356 18844 4662 1 13 . 1 1 41 41 GLU N N 41 114.752 114.752 118.025 -3.273 18844 4663 1 13 . 1 1 41 41 GLU HA H 41 4.071 4.071 4.069 0.002 18844 4664 1 13 . 1 1 41 41 GLU CA C 41 58.938 58.938 58.568 0.370 18844 4665 1 13 . 1 1 41 41 GLU CB C 41 28.824 28.824 29.462 -0.638 18844 4666 1 13 . 1 1 41 41 GLU H H 41 9.746 9.746 8.665 1.081 18844 4667 1 13 . 1 1 42 42 ARG N N 42 118.145 118.145 115.881 2.264 18844 4668 1 13 . 1 1 42 42 ARG HA H 42 4.315 4.315 4.416 -0.101 18844 4669 1 13 . 1 1 42 42 ARG CA C 42 55.448 55.448 56.847 -1.399 18844 4670 1 13 . 1 1 42 42 ARG CB C 42 31.105 31.105 31.949 -0.844 18844 4671 1 13 . 1 1 42 42 ARG H H 42 7.938 7.938 7.527 0.411 18844 4672 1 13 . 1 1 43 43 GLN N N 43 118.250 118.250 117.937 0.313 18844 4673 1 13 . 1 1 43 43 GLN HA H 43 4.251 4.251 4.701 -0.450 18844 4674 1 13 . 1 1 43 43 GLN CA C 43 56.537 56.537 54.585 1.952 18844 4675 1 13 . 1 1 43 43 GLN CB C 43 30.992 30.992 31.134 -0.142 18844 4676 1 13 . 1 1 43 43 GLN H H 43 7.034 7.034 7.766 -0.732 18844 4677 1 13 . 1 1 44 44 LYS N N 44 122.693 122.693 120.507 2.186 18844 4678 1 13 . 1 1 44 44 LYS HA H 44 4.464 4.464 4.683 -0.219 18844 4679 1 13 . 1 1 44 44 LYS CA C 44 55.552 55.552 54.197 1.355 18844 4680 1 13 . 1 1 44 44 LYS CB C 44 34.325 34.325 34.799 -0.474 18844 4681 1 13 . 1 1 44 44 LYS H H 44 8.806 8.806 8.902 -0.096 18844 4682 1 13 . 1 1 45 45 LEU N N 45 124.806 124.806 124.306 0.500 18844 4683 1 13 . 1 1 45 45 LEU HA H 45 4.943 4.943 4.274 0.669 18844 4684 1 13 . 1 1 45 45 LEU CA C 45 53.542 53.542 55.227 -1.685 18844 4685 1 13 . 1 1 45 45 LEU CB C 45 41.821 41.821 40.902 0.919 18844 4686 1 13 . 1 1 45 45 LEU H H 45 8.704 8.704 8.675 0.029 18844 4687 1 13 . 1 1 46 46 LEU N N 46 124.709 124.709 126.042 -1.333 18844 4688 1 13 . 1 1 46 46 LEU HA H 46 4.358 4.358 4.339 0.019 18844 4689 1 13 . 1 1 46 46 LEU CA C 46 55.759 55.759 56.951 -1.192 18844 4690 1 13 . 1 1 46 46 LEU CB C 46 42.526 42.526 41.664 0.862 18844 4691 1 13 . 1 1 46 46 LEU H H 46 8.751 8.751 7.899 0.852 18844 4692 1 13 . 1 1 47 47 GLY N N 47 109.276 109.276 107.028 2.248 18844 4693 1 13 . 1 1 47 47 GLY CA C 47 45.560 45.560 44.694 0.866 18844 4694 1 13 . 1 1 47 47 GLY H H 47 8.300 8.300 8.363 -0.063 18844 4695 1 13 . 1 1 48 48 LEU N N 48 119.707 119.707 117.572 2.135 18844 4696 1 13 . 1 1 48 48 LEU HA H 48 4.590 4.590 4.205 0.385 18844 4697 1 13 . 1 1 48 48 LEU CA C 48 53.945 53.945 56.453 -2.508 18844 4698 1 13 . 1 1 48 48 LEU CB C 48 41.414 41.414 42.131 -0.717 18844 4699 1 13 . 1 1 48 48 LEU H H 48 7.581 7.581 7.421 0.160 18844 4700 1 13 . 1 1 49 49 LYS N N 49 124.527 124.527 117.079 7.448 18844 4701 1 13 . 1 1 49 49 LYS HA H 49 4.852 4.852 4.587 0.265 18844 4702 1 13 . 1 1 49 49 LYS CA C 49 55.663 55.663 54.771 0.892 18844 4703 1 13 . 1 1 49 49 LYS CB C 49 37.581 37.581 34.633 2.948 18844 4704 1 13 . 1 1 49 49 LYS H H 49 8.606 8.606 7.235 1.371 18844 4705 1 13 . 1 1 50 50 VAL N N 50 119.184 119.184 121.167 -1.983 18844 4706 1 13 . 1 1 50 50 VAL HA H 50 4.113 4.113 4.371 -0.258 18844 4707 1 13 . 1 1 50 50 VAL CA C 50 61.865 61.865 60.696 1.169 18844 4708 1 13 . 1 1 50 50 VAL CB C 50 34.734 34.734 34.588 0.146 18844 4709 1 13 . 1 1 50 50 VAL H H 50 8.799 8.799 8.353 0.446 18844 4710 1 13 . 1 1 51 51 LYS N N 51 127.069 127.069 126.117 0.952 18844 4711 1 13 . 1 1 51 51 LYS HA H 51 3.824 3.824 3.971 -0.147 18844 4712 1 13 . 1 1 51 51 LYS CA C 51 57.407 57.407 57.020 0.387 18844 4713 1 13 . 1 1 51 51 LYS CB C 51 30.655 30.655 30.925 -0.270 18844 4714 1 13 . 1 1 51 51 LYS H H 51 9.451 9.451 9.124 0.327 18844 4715 1 13 . 1 1 52 52 GLY N N 52 102.671 102.671 103.684 -1.013 18844 4716 1 13 . 1 1 52 52 GLY CA C 52 45.810 45.810 45.125 0.685 18844 4717 1 13 . 1 1 52 52 GLY H H 52 8.512 8.512 8.190 0.322 18844 4718 1 13 . 1 1 53 53 LYS N N 53 121.307 121.307 121.823 -0.516 18844 4719 1 13 . 1 1 53 53 LYS HA H 53 4.829 4.829 4.647 0.182 18844 4720 1 13 . 1 1 53 53 LYS CA C 53 53.616 53.616 53.010 0.606 18844 4721 1 13 . 1 1 53 53 LYS CB C 53 33.940 33.940 32.595 1.345 18844 4722 1 13 . 1 1 53 53 LYS H H 53 7.781 7.781 7.828 -0.047 18844 4723 1 13 . 1 1 54 54 PRO HA H 54 4.376 4.376 4.217 0.159 18844 4724 1 13 . 1 1 54 54 PRO CA C 54 63.817 63.817 64.232 -0.415 18844 4725 1 13 . 1 1 54 54 PRO CB C 54 32.151 32.151 31.925 0.226 18844 4726 1 13 . 1 1 55 55 ALA N N 55 125.654 125.654 120.323 5.331 18844 4727 1 13 . 1 1 55 55 ALA HA H 55 4.138 4.138 3.993 0.145 18844 4728 1 13 . 1 1 55 55 ALA CA C 55 52.664 52.664 52.887 -0.223 18844 4729 1 13 . 1 1 55 55 ALA CB C 55 20.044 20.044 17.802 2.242 18844 4730 1 13 . 1 1 55 55 ALA H H 55 8.114 8.114 7.973 0.141 18844 4731 1 13 . 1 1 56 56 GLU N N 56 122.313 122.313 118.885 3.428 18844 4732 1 13 . 1 1 56 56 GLU HA H 56 4.215 4.215 4.030 0.185 18844 4733 1 13 . 1 1 56 56 GLU CA C 56 56.089 56.089 59.093 -3.004 18844 4734 1 13 . 1 1 56 56 GLU CB C 56 31.086 31.086 30.047 1.040 18844 4735 1 13 . 1 1 56 56 GLU H H 56 8.179 8.179 8.681 -0.502 18844 4736 1 13 . 1 1 57 57 ASN N N 57 115.140 115.140 109.486 5.654 18844 4737 1 13 . 1 1 57 57 ASN HA H 57 4.229 4.229 4.703 -0.474 18844 4738 1 13 . 1 1 57 57 ASN CA C 57 55.199 55.199 53.812 1.387 18844 4739 1 13 . 1 1 57 57 ASN CB C 57 39.227 39.227 38.714 0.513 18844 4740 1 13 . 1 1 57 57 ASN H H 57 8.504 8.504 7.919 0.585 18844 4741 1 13 . 1 1 58 58 ASP N N 58 112.832 112.832 120.941 -8.109 18844 4742 1 13 . 1 1 58 58 ASP HA H 58 4.488 4.488 4.521 -0.033 18844 4743 1 13 . 1 1 58 58 ASP CA C 58 53.608 53.608 55.637 -2.029 18844 4744 1 13 . 1 1 58 58 ASP CB C 58 40.304 40.304 40.635 -0.331 18844 4745 1 13 . 1 1 58 58 ASP H H 58 8.198 8.198 8.537 -0.339 18844 4746 1 13 . 1 1 59 59 VAL N N 59 122.073 122.073 119.674 2.399 18844 4747 1 13 . 1 1 59 59 VAL HA H 59 3.593 3.593 4.010 -0.417 18844 4748 1 13 . 1 1 59 59 VAL CA C 59 63.840 63.840 62.105 1.735 18844 4749 1 13 . 1 1 59 59 VAL CB C 59 32.322 32.322 32.860 -0.538 18844 4750 1 13 . 1 1 59 59 VAL H H 59 7.353 7.353 7.509 -0.156 18844 4751 1 13 . 1 1 60 60 LYS N N 60 125.064 125.064 124.496 0.568 18844 4752 1 13 . 1 1 60 60 LYS HA H 60 4.447 4.447 4.560 -0.113 18844 4753 1 13 . 1 1 60 60 LYS CA C 60 56.185 56.185 55.469 0.716 18844 4754 1 13 . 1 1 60 60 LYS CB C 60 33.105 33.105 33.700 -0.595 18844 4755 1 13 . 1 1 60 60 LYS H H 60 8.339 8.339 8.182 0.157 18844 4756 1 13 . 1 1 61 61 LEU N N 61 121.612 121.612 122.028 -0.416 18844 4757 1 13 . 1 1 61 61 LEU HA H 61 3.776 3.776 3.985 -0.209 18844 4758 1 13 . 1 1 61 61 LEU CA C 61 57.987 57.987 58.429 -0.443 18844 4759 1 13 . 1 1 61 61 LEU CB C 61 40.832 40.832 41.719 -0.887 18844 4760 1 13 . 1 1 61 61 LEU H H 61 9.423 9.423 8.858 0.565 18844 4761 1 13 . 1 1 62 62 GLY N N 62 104.008 104.008 102.617 1.391 18844 4762 1 13 . 1 1 62 62 GLY CA C 62 46.772 46.772 45.536 1.236 18844 4763 1 13 . 1 1 62 62 GLY H H 62 9.107 9.107 8.268 0.839 18844 4764 1 13 . 1 1 63 63 ALA N N 63 122.025 122.025 123.189 -1.164 18844 4765 1 13 . 1 1 63 63 ALA HA H 63 4.273 4.273 4.209 0.064 18844 4766 1 13 . 1 1 63 63 ALA CA C 63 53.421 53.421 54.040 -0.619 18844 4767 1 13 . 1 1 63 63 ALA CB C 63 18.816 18.816 18.875 -0.059 18844 4768 1 13 . 1 1 63 63 ALA H H 63 7.755 7.755 7.681 0.074 18844 4769 1 13 . 1 1 64 64 LEU N N 64 115.454 115.454 115.325 0.129 18844 4770 1 13 . 1 1 64 64 LEU HA H 64 4.068 4.068 4.173 -0.105 18844 4771 1 13 . 1 1 64 64 LEU CA C 64 55.567 55.567 55.633 -0.066 18844 4772 1 13 . 1 1 64 64 LEU CB C 64 42.136 42.136 42.277 -0.141 18844 4773 1 13 . 1 1 64 64 LEU H H 64 7.214 7.214 7.525 -0.311 18844 4774 1 13 . 1 1 65 65 LYS N N 65 114.830 114.830 113.829 1.001 18844 4775 1 13 . 1 1 65 65 LYS HA H 65 3.838 3.838 3.870 -0.032 18844 4776 1 13 . 1 1 65 65 LYS CA C 65 56.737 56.737 56.551 0.186 18844 4777 1 13 . 1 1 65 65 LYS CB C 65 29.307 29.307 29.178 0.129 18844 4778 1 13 . 1 1 65 65 LYS H H 65 7.642 7.642 7.527 0.115 18844 4779 1 13 . 1 1 66 66 LEU N N 66 119.305 119.305 120.266 -0.961 18844 4780 1 13 . 1 1 66 66 LEU HA H 66 4.163 4.163 4.324 -0.161 18844 4781 1 13 . 1 1 66 66 LEU CA C 66 54.847 54.847 54.553 0.294 18844 4782 1 13 . 1 1 66 66 LEU CB C 66 42.712 42.712 42.851 -0.139 18844 4783 1 13 . 1 1 66 66 LEU H H 66 8.516 8.516 7.605 0.911 18844 4784 1 13 . 1 1 67 67 LYS N N 67 121.480 121.480 122.655 -1.175 18844 4785 1 13 . 1 1 67 67 LYS HA H 67 4.497 4.497 4.400 0.097 18844 4786 1 13 . 1 1 67 67 LYS CA C 67 54.152 54.152 55.281 -1.129 18844 4787 1 13 . 1 1 67 67 LYS CB C 67 31.999 31.999 32.138 -0.139 18844 4788 1 13 . 1 1 67 67 LYS H H 67 7.955 7.955 8.159 -0.204 18844 4789 1 13 . 1 1 68 68 PRO HA H 68 4.169 4.169 4.690 -0.521 18844 4790 1 13 . 1 1 68 68 PRO CA C 68 64.389 64.389 65.069 -0.680 18844 4791 1 13 . 1 1 68 68 PRO CB C 68 32.214 32.214 32.393 -0.179 18844 4792 1 13 . 1 1 69 69 ASN N N 69 115.414 115.414 115.277 0.137 18844 4793 1 13 . 1 1 69 69 ASN HA H 69 3.962 3.962 4.573 -0.611 18844 4794 1 13 . 1 1 69 69 ASN CA C 69 55.021 55.021 53.793 1.228 18844 4795 1 13 . 1 1 69 69 ASN CB C 69 37.047 37.047 37.470 -0.423 18844 4796 1 13 . 1 1 69 69 ASN H H 69 8.966 8.966 8.144 0.822 18844 4797 1 13 . 1 1 70 70 THR N N 70 115.426 115.426 115.961 -0.535 18844 4798 1 13 . 1 1 70 70 THR HA H 70 3.949 3.949 4.065 -0.116 18844 4799 1 13 . 1 1 70 70 THR CA C 70 65.247 65.247 64.669 0.578 18844 4800 1 13 . 1 1 70 70 THR CB C 70 70.132 70.132 68.694 1.438 18844 4801 1 13 . 1 1 70 70 THR H H 70 7.712 7.712 7.761 -0.049 18844 4802 1 13 . 1 1 71 71 LYS N N 71 124.603 124.603 125.851 -1.248 18844 4803 1 13 . 1 1 71 71 LYS HA H 71 5.179 5.179 5.057 0.122 18844 4804 1 13 . 1 1 71 71 LYS CA C 71 55.340 55.340 55.677 -0.337 18844 4805 1 13 . 1 1 71 71 LYS CB C 71 33.729 33.729 34.141 -0.411 18844 4806 1 13 . 1 1 71 71 LYS H H 71 8.284 8.284 8.413 -0.129 18844 4807 1 13 . 1 1 72 72 ILE N N 72 123.505 123.505 123.534 -0.029 18844 4808 1 13 . 1 1 72 72 ILE HA H 72 4.511 4.511 4.377 0.134 18844 4809 1 13 . 1 1 72 72 ILE CA C 72 59.636 59.636 59.224 0.412 18844 4810 1 13 . 1 1 72 72 ILE CB C 72 40.827 40.827 39.446 1.381 18844 4811 1 13 . 1 1 72 72 ILE H H 72 9.142 9.142 8.434 0.708 18844 4812 1 13 . 1 1 73 73 MET N N 73 123.090 123.090 125.573 -2.483 18844 4813 1 13 . 1 1 73 73 MET HA H 73 5.122 5.122 5.117 0.005 18844 4814 1 13 . 1 1 73 73 MET CA C 73 54.949 54.949 55.196 -0.247 18844 4815 1 13 . 1 1 73 73 MET CB C 73 35.143 35.143 35.223 -0.080 18844 4816 1 13 . 1 1 73 73 MET H H 73 8.556 8.556 8.885 -0.329 18844 4817 1 13 . 1 1 74 74 MET N N 74 124.481 124.481 121.138 3.343 18844 4818 1 13 . 1 1 74 74 MET HA H 74 5.288 5.288 4.811 0.477 18844 4819 1 13 . 1 1 74 74 MET CA C 74 54.862 54.862 54.993 -0.131 18844 4820 1 13 . 1 1 74 74 MET CB C 74 36.294 36.294 35.798 0.496 18844 4821 1 13 . 1 1 74 74 MET H H 74 8.924 8.924 8.687 0.237 18844 4822 1 13 . 1 1 75 75 MET N N 75 123.963 123.963 122.870 1.093 18844 4823 1 13 . 1 1 75 75 MET HA H 75 5.093 5.093 5.005 0.088 18844 4824 1 13 . 1 1 75 75 MET CA C 75 54.265 54.265 54.390 -0.125 18844 4825 1 13 . 1 1 75 75 MET CB C 75 35.566 35.566 35.321 0.246 18844 4826 1 13 . 1 1 75 75 MET H H 75 9.112 9.112 8.281 0.831 18844 4827 1 13 . 1 1 76 76 GLY N N 76 109.773 109.773 110.613 -0.840 18844 4828 1 13 . 1 1 76 76 GLY CA C 76 45.901 45.901 45.171 0.730 18844 4829 1 13 . 1 1 76 76 GLY H H 76 8.711 8.711 8.698 0.013 18844 4830 1 13 . 1 1 77 77 THR N N 77 113.345 113.345 116.357 -3.012 18844 4831 1 13 . 1 1 77 77 THR HA H 77 4.787 4.787 4.679 0.108 18844 4832 1 13 . 1 1 77 77 THR CA C 77 60.728 60.728 60.291 0.437 18844 4833 1 13 . 1 1 77 77 THR CB C 77 71.481 71.481 69.738 1.743 18844 4834 1 13 . 1 1 77 77 THR H H 77 8.280 8.280 8.284 -0.004 18844 4835 1 13 . 1 1 78 78 ARG N N 78 122.844 122.844 127.999 -5.155 18844 4836 1 13 . 1 1 78 78 ARG HA H 78 4.148 4.148 4.484 -0.336 18844 4837 1 13 . 1 1 78 78 ARG CA C 78 56.881 56.881 55.508 1.373 18844 4838 1 13 . 1 1 78 78 ARG CB C 78 31.607 31.607 31.071 0.536 18844 4839 1 13 . 1 1 78 78 ARG H H 78 8.852 8.852 8.498 0.354 18844 4840 1 13 . 1 1 79 79 GLU N N 79 122.181 122.181 122.801 -0.620 18844 4841 1 13 . 1 1 79 79 GLU HA H 79 4.206 4.206 4.234 -0.028 18844 4842 1 13 . 1 1 79 79 GLU CA C 79 57.007 57.007 56.492 0.515 18844 4843 1 13 . 1 1 79 79 GLU CB C 79 30.764 30.764 30.120 0.643 18844 4844 1 13 . 1 1 79 79 GLU H H 79 8.300 8.300 8.453 -0.153 18844 4845 1 13 . 1 1 80 80 GLU N N 80 126.965 126.965 119.486 7.479 18844 4846 1 13 . 1 1 80 80 GLU HA H 80 4.049 4.049 4.337 -0.288 18844 4847 1 13 . 1 1 80 80 GLU CA C 80 58.328 58.328 57.175 1.153 18844 4848 1 13 . 1 1 80 80 GLU CB C 80 31.287 31.287 30.230 1.057 18844 4849 1 13 . 1 1 80 80 GLU H H 80 8.015 8.015 8.561 -0.546 18844 4850 1 14 . 1 1 2 2 ALA N N 2 126.014 126.014 123.056 2.958 18844 4851 1 14 . 1 1 2 2 ALA HA H 2 4.033 4.033 4.728 -0.695 18844 4852 1 14 . 1 1 2 2 ALA CA C 2 53.215 53.215 51.052 2.163 18844 4853 1 14 . 1 1 2 2 ALA CB C 2 19.376 19.376 20.023 -0.647 18844 4854 1 14 . 1 1 2 2 ALA H H 2 8.410 8.410 8.298 0.112 18844 4855 1 14 . 1 1 3 3 LEU N N 3 123.255 123.255 123.595 -0.340 18844 4856 1 14 . 1 1 3 3 LEU HA H 3 4.646 4.646 4.603 0.043 18844 4857 1 14 . 1 1 3 3 LEU CA C 3 51.817 51.817 52.086 -0.269 18844 4858 1 14 . 1 1 3 3 LEU CB C 3 43.557 43.557 43.260 0.297 18844 4859 1 14 . 1 1 3 3 LEU H H 3 8.271 8.271 8.474 -0.203 18844 4860 1 14 . 1 1 4 4 PRO HA H 4 4.606 4.606 4.525 0.081 18844 4861 1 14 . 1 1 4 4 PRO CA C 4 63.240 63.240 62.418 0.822 18844 4862 1 14 . 1 1 4 4 PRO CB C 4 32.070 32.070 32.671 -0.601 18844 4863 1 14 . 1 1 5 5 ILE N N 5 122.161 122.161 118.027 4.134 18844 4864 1 14 . 1 1 5 5 ILE HA H 5 4.359 4.359 4.838 -0.479 18844 4865 1 14 . 1 1 5 5 ILE CA C 5 60.833 60.833 60.396 0.437 18844 4866 1 14 . 1 1 5 5 ILE CB C 5 43.943 43.943 42.774 1.169 18844 4867 1 14 . 1 1 5 5 ILE H H 5 8.317 8.317 7.704 0.613 18844 4868 1 14 . 1 1 6 6 ILE N N 6 125.649 125.649 125.827 -0.178 18844 4869 1 14 . 1 1 6 6 ILE HA H 6 4.921 4.921 4.694 0.227 18844 4870 1 14 . 1 1 6 6 ILE CA C 6 59.865 59.865 60.820 -0.955 18844 4871 1 14 . 1 1 6 6 ILE CB C 6 40.264 40.264 40.361 -0.097 18844 4872 1 14 . 1 1 6 6 ILE H H 6 8.408 8.408 8.520 -0.112 18844 4873 1 14 . 1 1 7 7 VAL N N 7 125.741 125.741 126.721 -0.980 18844 4874 1 14 . 1 1 7 7 VAL HA H 7 4.930 4.930 4.703 0.227 18844 4875 1 14 . 1 1 7 7 VAL CA C 7 60.363 60.363 60.449 -0.086 18844 4876 1 14 . 1 1 7 7 VAL CB C 7 34.759 34.759 35.145 -0.386 18844 4877 1 14 . 1 1 7 7 VAL H H 7 9.155 9.155 9.118 0.037 18844 4878 1 14 . 1 1 8 8 LYS N N 8 128.098 128.098 128.689 -0.591 18844 4879 1 14 . 1 1 8 8 LYS HA H 8 5.232 5.232 5.166 0.066 18844 4880 1 14 . 1 1 8 8 LYS CA C 8 55.275 55.275 54.804 0.471 18844 4881 1 14 . 1 1 8 8 LYS CB C 8 34.935 34.935 33.818 1.117 18844 4882 1 14 . 1 1 8 8 LYS H H 8 9.174 9.174 8.715 0.459 18844 4883 1 14 . 1 1 9 9 TRP N N 9 125.952 125.952 128.580 -2.628 18844 4884 1 14 . 1 1 9 9 TRP HA H 9 5.185 5.185 4.890 0.295 18844 4885 1 14 . 1 1 9 9 TRP CA C 9 57.734 57.734 56.802 0.932 18844 4886 1 14 . 1 1 9 9 TRP CB C 9 31.561 31.561 30.893 0.668 18844 4887 1 14 . 1 1 9 9 TRP H H 9 8.844 8.844 8.473 0.371 18844 4888 1 14 . 1 1 10 10 GLY N N 10 117.044 117.044 116.400 0.644 18844 4889 1 14 . 1 1 10 10 GLY CA C 10 47.101 47.101 44.902 2.199 18844 4890 1 14 . 1 1 10 10 GLY H H 10 8.683 8.683 8.478 0.205 18844 4891 1 14 . 1 1 11 11 GLY N N 11 109.364 109.364 109.258 0.106 18844 4892 1 14 . 1 1 11 11 GLY CA C 11 45.460 45.460 45.467 -0.007 18844 4893 1 14 . 1 1 11 11 GLY H H 11 8.600 8.600 8.157 0.443 18844 4894 1 14 . 1 1 12 12 GLN N N 12 119.388 119.388 118.917 0.471 18844 4895 1 14 . 1 1 12 12 GLN HA H 12 4.483 4.483 4.655 -0.172 18844 4896 1 14 . 1 1 12 12 GLN CA C 12 54.502 54.502 54.443 0.059 18844 4897 1 14 . 1 1 12 12 GLN CB C 12 32.178 32.178 32.015 0.163 18844 4898 1 14 . 1 1 12 12 GLN H H 12 7.865 7.865 7.870 -0.005 18844 4899 1 14 . 1 1 13 13 GLU N N 13 119.756 119.756 118.513 1.243 18844 4900 1 14 . 1 1 13 13 GLU HA H 13 4.880 4.880 4.837 0.043 18844 4901 1 14 . 1 1 13 13 GLU CA C 13 55.655 55.655 55.308 0.347 18844 4902 1 14 . 1 1 13 13 GLU CB C 13 32.306 32.306 32.639 -0.333 18844 4903 1 14 . 1 1 13 13 GLU H H 13 8.172 8.172 8.361 -0.189 18844 4904 1 14 . 1 1 14 14 TYR N N 14 122.812 122.812 121.564 1.248 18844 4905 1 14 . 1 1 14 14 TYR HA H 14 4.601 4.601 4.728 -0.127 18844 4906 1 14 . 1 1 14 14 TYR CA C 14 57.246 57.246 56.993 0.253 18844 4907 1 14 . 1 1 14 14 TYR CB C 14 40.544 40.544 40.947 -0.403 18844 4908 1 14 . 1 1 14 14 TYR H H 14 9.381 9.381 8.742 0.639 18844 4909 1 14 . 1 1 15 15 SER N N 15 118.339 118.339 118.800 -0.461 18844 4910 1 14 . 1 1 15 15 SER HA H 15 4.747 4.747 4.675 0.072 18844 4911 1 14 . 1 1 15 15 SER CA C 15 58.099 58.099 58.564 -0.465 18844 4912 1 14 . 1 1 15 15 SER CB C 15 63.394 63.394 64.119 -0.725 18844 4913 1 14 . 1 1 15 15 SER H H 15 8.802 8.802 8.800 0.002 18844 4914 1 14 . 1 1 16 16 VAL N N 16 128.611 128.611 125.743 2.868 18844 4915 1 14 . 1 1 16 16 VAL HA H 16 4.205 4.205 4.348 -0.143 18844 4916 1 14 . 1 1 16 16 VAL CA C 16 62.344 62.344 61.923 0.421 18844 4917 1 14 . 1 1 16 16 VAL CB C 16 32.528 32.528 32.886 -0.358 18844 4918 1 14 . 1 1 16 16 VAL H H 16 9.005 9.005 8.753 0.252 18844 4919 1 14 . 1 1 17 17 THR N N 17 116.170 116.170 117.194 -1.024 18844 4920 1 14 . 1 1 17 17 THR HA H 17 4.533 4.533 4.599 -0.066 18844 4921 1 14 . 1 1 17 17 THR CA C 17 62.331 62.331 62.234 0.097 18844 4922 1 14 . 1 1 17 17 THR CB C 17 70.040 70.040 68.994 1.046 18844 4923 1 14 . 1 1 17 17 THR H H 17 8.746 8.746 8.417 0.329 18844 4924 1 14 . 1 1 18 18 THR N N 18 107.517 107.517 116.260 -8.743 18844 4925 1 14 . 1 1 18 18 THR HA H 18 4.173 4.173 4.248 -0.075 18844 4926 1 14 . 1 1 18 18 THR CA C 18 61.772 61.772 62.119 -0.347 18844 4927 1 14 . 1 1 18 18 THR CB C 18 69.121 69.121 69.192 -0.071 18844 4928 1 14 . 1 1 18 18 THR H H 18 6.812 6.812 8.282 -1.470 18844 4929 1 14 . 1 1 19 19 LEU N N 19 123.019 123.019 123.448 -0.429 18844 4930 1 14 . 1 1 19 19 LEU HA H 19 4.583 4.583 4.399 0.184 18844 4931 1 14 . 1 1 19 19 LEU CA C 19 54.180 54.180 55.060 -0.880 18844 4932 1 14 . 1 1 19 19 LEU CB C 19 42.711 42.711 43.843 -1.132 18844 4933 1 14 . 1 1 19 19 LEU H H 19 8.388 8.388 7.571 0.817 18844 4934 1 14 . 1 1 20 20 SER N N 20 117.870 117.870 114.086 3.784 18844 4935 1 14 . 1 1 20 20 SER HA H 20 4.863 4.863 4.817 0.046 18844 4936 1 14 . 1 1 20 20 SER CA C 20 56.832 56.832 56.709 0.123 18844 4937 1 14 . 1 1 20 20 SER CB C 20 67.845 67.845 66.460 1.385 18844 4938 1 14 . 1 1 20 20 SER H H 20 9.714 9.714 9.156 0.558 18844 4939 1 14 . 1 1 21 21 GLU N N 21 116.130 116.130 121.527 -5.397 18844 4940 1 14 . 1 1 21 21 GLU HA H 21 3.740 3.740 4.039 -0.299 18844 4941 1 14 . 1 1 21 21 GLU CA C 21 59.134 59.134 59.448 -0.314 18844 4942 1 14 . 1 1 21 21 GLU CB C 21 30.854 30.854 29.407 1.447 18844 4943 1 14 . 1 1 21 21 GLU H H 21 8.491 8.491 8.549 -0.058 18844 4944 1 14 . 1 1 22 22 ASP N N 22 115.741 115.741 116.900 -1.159 18844 4945 1 14 . 1 1 22 22 ASP HA H 22 4.650 4.650 4.571 0.079 18844 4946 1 14 . 1 1 22 22 ASP CA C 22 55.156 55.156 55.471 -0.315 18844 4947 1 14 . 1 1 22 22 ASP CB C 22 42.579 42.579 40.912 1.667 18844 4948 1 14 . 1 1 22 22 ASP H H 22 7.936 7.936 8.487 -0.551 18844 4949 1 14 . 1 1 23 23 ASP N N 23 119.945 119.945 118.553 1.392 18844 4950 1 14 . 1 1 23 23 ASP HA H 23 4.841 4.841 4.926 -0.085 18844 4951 1 14 . 1 1 23 23 ASP CA C 23 55.223 55.223 53.318 1.905 18844 4952 1 14 . 1 1 23 23 ASP CB C 23 42.782 42.782 42.410 0.372 18844 4953 1 14 . 1 1 23 23 ASP H H 23 7.313 7.313 7.972 -0.659 18844 4954 1 14 . 1 1 24 24 THR N N 24 107.918 107.918 108.745 -0.827 18844 4955 1 14 . 1 1 24 24 THR HA H 24 5.328 5.328 4.766 0.562 18844 4956 1 14 . 1 1 24 24 THR CA C 24 60.989 60.989 59.968 1.022 18844 4957 1 14 . 1 1 24 24 THR CB C 24 74.287 74.287 72.640 1.647 18844 4958 1 14 . 1 1 24 24 THR H H 24 9.630 9.630 7.792 1.838 18844 4959 1 14 . 1 1 25 25 VAL N N 25 120.192 120.192 121.848 -1.656 18844 4960 1 14 . 1 1 25 25 VAL HA H 25 3.334 3.334 3.710 -0.376 18844 4961 1 14 . 1 1 25 25 VAL CA C 25 67.626 67.626 66.962 0.664 18844 4962 1 14 . 1 1 25 25 VAL CB C 25 32.149 32.149 31.206 0.943 18844 4963 1 14 . 1 1 25 25 VAL H H 25 8.260 8.260 8.955 -0.695 18844 4964 1 14 . 1 1 26 26 LEU N N 26 119.941 119.941 118.400 1.541 18844 4965 1 14 . 1 1 26 26 LEU HA H 26 3.872 3.872 4.040 -0.168 18844 4966 1 14 . 1 1 26 26 LEU CA C 26 58.592 58.592 58.414 0.178 18844 4967 1 14 . 1 1 26 26 LEU CB C 26 41.716 41.716 41.299 0.417 18844 4968 1 14 . 1 1 26 26 LEU H H 26 8.523 8.523 7.275 1.248 18844 4969 1 14 . 1 1 27 27 ASP N N 27 118.322 118.322 119.153 -0.831 18844 4970 1 14 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.437 -0.164 18844 4971 1 14 . 1 1 27 27 ASP CA C 27 58.663 58.663 57.199 1.464 18844 4972 1 14 . 1 1 27 27 ASP CB C 27 40.931 40.931 40.851 0.080 18844 4973 1 14 . 1 1 27 27 ASP H H 27 7.581 7.581 8.129 -0.548 18844 4974 1 14 . 1 1 28 28 LEU N N 28 122.021 122.021 120.554 1.467 18844 4975 1 14 . 1 1 28 28 LEU HA H 28 4.083 4.083 4.131 -0.048 18844 4976 1 14 . 1 1 28 28 LEU CA C 28 58.772 58.772 58.273 0.499 18844 4977 1 14 . 1 1 28 28 LEU CB C 28 41.225 41.225 42.260 -1.035 18844 4978 1 14 . 1 1 28 28 LEU H H 28 7.837 7.837 7.689 0.148 18844 4979 1 14 . 1 1 29 29 LYS N N 29 119.086 119.086 119.454 -0.368 18844 4980 1 14 . 1 1 29 29 LYS HA H 29 4.520 4.520 3.951 0.569 18844 4981 1 14 . 1 1 29 29 LYS CA C 29 59.787 59.787 60.543 -0.756 18844 4982 1 14 . 1 1 29 29 LYS CB C 29 34.297 34.297 32.169 2.128 18844 4983 1 14 . 1 1 29 29 LYS H H 29 8.467 8.467 8.540 -0.073 18844 4984 1 14 . 1 1 30 30 GLN N N 30 119.268 119.268 118.740 0.528 18844 4985 1 14 . 1 1 30 30 GLN HA H 30 3.932 3.932 4.030 -0.098 18844 4986 1 14 . 1 1 30 30 GLN CA C 30 59.663 59.663 58.534 1.129 18844 4987 1 14 . 1 1 30 30 GLN CB C 30 27.806 27.806 27.975 -0.169 18844 4988 1 14 . 1 1 30 30 GLN H H 30 9.049 9.049 8.065 0.984 18844 4989 1 14 . 1 1 31 31 PHE N N 31 121.690 121.690 120.146 1.544 18844 4990 1 14 . 1 1 31 31 PHE HA H 31 4.218 4.218 4.293 -0.075 18844 4991 1 14 . 1 1 31 31 PHE CA C 31 61.967 61.967 60.709 1.258 18844 4992 1 14 . 1 1 31 31 PHE CB C 31 39.374 39.374 39.677 -0.303 18844 4993 1 14 . 1 1 31 31 PHE H H 31 8.039 8.039 7.439 0.600 18844 4994 1 14 . 1 1 32 32 LEU N N 32 118.232 118.232 117.922 0.310 18844 4995 1 14 . 1 1 32 32 LEU HA H 32 3.637 3.637 4.048 -0.411 18844 4996 1 14 . 1 1 32 32 LEU CA C 32 57.708 57.708 58.207 -0.499 18844 4997 1 14 . 1 1 32 32 LEU CB C 32 41.270 41.270 41.327 -0.057 18844 4998 1 14 . 1 1 32 32 LEU H H 32 8.776 8.776 8.187 0.589 18844 4999 1 14 . 1 1 33 33 LYS N N 33 125.920 125.920 118.335 7.585 18844 5000 1 14 . 1 1 33 33 LYS HA H 33 3.802 3.802 3.880 -0.078 18844 5001 1 14 . 1 1 33 33 LYS CA C 33 60.116 60.116 59.109 1.007 18844 5002 1 14 . 1 1 33 33 LYS CB C 33 31.701 31.701 31.507 0.194 18844 5003 1 14 . 1 1 33 33 LYS H H 33 8.237 8.237 8.489 -0.252 18844 5004 1 14 . 1 1 34 34 THR N N 34 114.544 114.544 112.276 2.268 18844 5005 1 14 . 1 1 34 34 THR HA H 34 3.773 3.773 4.105 -0.332 18844 5006 1 14 . 1 1 34 34 THR CA C 34 65.749 65.749 63.718 2.031 18844 5007 1 14 . 1 1 34 34 THR CB C 34 68.620 68.620 68.577 0.043 18844 5008 1 14 . 1 1 34 34 THR H H 34 7.281 7.281 7.126 0.155 18844 5009 1 14 . 1 1 35 35 LEU N N 35 117.590 117.590 120.402 -2.812 18844 5010 1 14 . 1 1 35 35 LEU HA H 35 4.018 4.018 4.152 -0.134 18844 5011 1 14 . 1 1 35 35 LEU CA C 35 57.015 57.015 57.142 -0.126 18844 5012 1 14 . 1 1 35 35 LEU CB C 35 44.003 44.003 42.600 1.403 18844 5013 1 14 . 1 1 35 35 LEU H H 35 6.752 6.752 7.699 -0.947 18844 5014 1 14 . 1 1 36 36 THR N N 36 104.865 104.865 109.220 -4.355 18844 5015 1 14 . 1 1 36 36 THR HA H 36 3.967 3.967 4.313 -0.346 18844 5016 1 14 . 1 1 36 36 THR CA C 36 62.756 62.756 61.907 0.849 18844 5017 1 14 . 1 1 36 36 THR CB C 36 72.343 72.343 69.857 2.486 18844 5018 1 14 . 1 1 36 36 THR H H 36 7.675 7.675 7.654 0.021 18844 5019 1 14 . 1 1 37 37 GLY N N 37 109.795 109.795 109.190 0.605 18844 5020 1 14 . 1 1 37 37 GLY CA C 37 45.559 45.559 44.444 1.115 18844 5021 1 14 . 1 1 37 37 GLY H H 37 7.971 7.971 7.411 0.560 18844 5022 1 14 . 1 1 38 38 VAL N N 38 122.557 122.557 119.752 2.805 18844 5023 1 14 . 1 1 38 38 VAL HA H 38 3.638 3.638 3.996 -0.358 18844 5024 1 14 . 1 1 38 38 VAL CA C 38 62.437 62.437 60.384 2.053 18844 5025 1 14 . 1 1 38 38 VAL CB C 38 31.390 31.390 33.123 -1.733 18844 5026 1 14 . 1 1 38 38 VAL H H 38 7.533 7.533 7.674 -0.141 18844 5027 1 14 . 1 1 39 39 LEU N N 39 127.828 127.828 122.803 5.025 18844 5028 1 14 . 1 1 39 39 LEU HA H 39 3.994 3.994 4.426 -0.432 18844 5029 1 14 . 1 1 39 39 LEU CA C 39 54.437 54.437 53.347 1.090 18844 5030 1 14 . 1 1 39 39 LEU CB C 39 40.557 40.557 40.029 0.527 18844 5031 1 14 . 1 1 39 39 LEU H H 39 8.634 8.634 8.270 0.364 18844 5032 1 14 . 1 1 40 40 PRO HA H 40 3.839 3.839 4.623 -0.784 18844 5033 1 14 . 1 1 40 40 PRO CA C 40 66.989 66.989 64.642 2.347 18844 5034 1 14 . 1 1 40 40 PRO CB C 40 32.322 32.322 31.878 0.444 18844 5035 1 14 . 1 1 41 41 GLU N N 41 114.752 114.752 118.133 -3.381 18844 5036 1 14 . 1 1 41 41 GLU HA H 41 4.071 4.071 4.109 -0.038 18844 5037 1 14 . 1 1 41 41 GLU CA C 41 58.938 58.938 58.440 0.498 18844 5038 1 14 . 1 1 41 41 GLU CB C 41 28.824 28.824 29.193 -0.369 18844 5039 1 14 . 1 1 41 41 GLU H H 41 9.746 9.746 8.635 1.111 18844 5040 1 14 . 1 1 42 42 ARG N N 42 118.145 118.145 115.838 2.307 18844 5041 1 14 . 1 1 42 42 ARG HA H 42 4.315 4.315 4.435 -0.120 18844 5042 1 14 . 1 1 42 42 ARG CA C 42 55.448 55.448 57.011 -1.563 18844 5043 1 14 . 1 1 42 42 ARG CB C 42 31.105 31.105 31.899 -0.794 18844 5044 1 14 . 1 1 42 42 ARG H H 42 7.938 7.938 7.574 0.364 18844 5045 1 14 . 1 1 43 43 GLN N N 43 118.250 118.250 118.062 0.188 18844 5046 1 14 . 1 1 43 43 GLN HA H 43 4.251 4.251 4.771 -0.520 18844 5047 1 14 . 1 1 43 43 GLN CA C 43 56.537 56.537 54.743 1.794 18844 5048 1 14 . 1 1 43 43 GLN CB C 43 30.992 30.992 31.265 -0.272 18844 5049 1 14 . 1 1 43 43 GLN H H 43 7.034 7.034 7.808 -0.774 18844 5050 1 14 . 1 1 44 44 LYS N N 44 122.693 122.693 121.005 1.688 18844 5051 1 14 . 1 1 44 44 LYS HA H 44 4.464 4.464 4.724 -0.260 18844 5052 1 14 . 1 1 44 44 LYS CA C 44 55.552 55.552 53.905 1.647 18844 5053 1 14 . 1 1 44 44 LYS CB C 44 34.325 34.325 34.987 -0.662 18844 5054 1 14 . 1 1 44 44 LYS H H 44 8.806 8.806 8.862 -0.056 18844 5055 1 14 . 1 1 45 45 LEU N N 45 124.806 124.806 124.007 0.799 18844 5056 1 14 . 1 1 45 45 LEU HA H 45 4.943 4.943 4.321 0.622 18844 5057 1 14 . 1 1 45 45 LEU CA C 45 53.542 53.542 55.418 -1.876 18844 5058 1 14 . 1 1 45 45 LEU CB C 45 41.821 41.821 40.883 0.938 18844 5059 1 14 . 1 1 45 45 LEU H H 45 8.704 8.704 8.730 -0.026 18844 5060 1 14 . 1 1 46 46 LEU N N 46 124.709 124.709 125.863 -1.154 18844 5061 1 14 . 1 1 46 46 LEU HA H 46 4.358 4.358 4.446 -0.088 18844 5062 1 14 . 1 1 46 46 LEU CA C 46 55.759 55.759 57.114 -1.355 18844 5063 1 14 . 1 1 46 46 LEU CB C 46 42.526 42.526 42.558 -0.032 18844 5064 1 14 . 1 1 46 46 LEU H H 46 8.751 8.751 8.060 0.691 18844 5065 1 14 . 1 1 47 47 GLY N N 47 109.276 109.276 107.937 1.339 18844 5066 1 14 . 1 1 47 47 GLY CA C 47 45.560 45.560 44.912 0.648 18844 5067 1 14 . 1 1 47 47 GLY H H 47 8.300 8.300 8.420 -0.120 18844 5068 1 14 . 1 1 48 48 LEU N N 48 119.707 119.707 116.523 3.184 18844 5069 1 14 . 1 1 48 48 LEU HA H 48 4.590 4.590 4.220 0.370 18844 5070 1 14 . 1 1 48 48 LEU CA C 48 53.945 53.945 56.295 -2.350 18844 5071 1 14 . 1 1 48 48 LEU CB C 48 41.414 41.414 42.182 -0.768 18844 5072 1 14 . 1 1 48 48 LEU H H 48 7.581 7.581 7.448 0.133 18844 5073 1 14 . 1 1 49 49 LYS N N 49 124.527 124.527 116.964 7.563 18844 5074 1 14 . 1 1 49 49 LYS HA H 49 4.852 4.852 4.569 0.283 18844 5075 1 14 . 1 1 49 49 LYS CA C 49 55.663 55.663 54.681 0.982 18844 5076 1 14 . 1 1 49 49 LYS CB C 49 37.581 37.581 34.837 2.744 18844 5077 1 14 . 1 1 49 49 LYS H H 49 8.606 8.606 7.222 1.384 18844 5078 1 14 . 1 1 50 50 VAL N N 50 119.184 119.184 121.345 -2.161 18844 5079 1 14 . 1 1 50 50 VAL HA H 50 4.113 4.113 4.372 -0.259 18844 5080 1 14 . 1 1 50 50 VAL CA C 50 61.865 61.865 60.709 1.156 18844 5081 1 14 . 1 1 50 50 VAL CB C 50 34.734 34.734 34.604 0.130 18844 5082 1 14 . 1 1 50 50 VAL H H 50 8.799 8.799 8.417 0.382 18844 5083 1 14 . 1 1 51 51 LYS N N 51 127.069 127.069 126.137 0.932 18844 5084 1 14 . 1 1 51 51 LYS HA H 51 3.824 3.824 3.981 -0.157 18844 5085 1 14 . 1 1 51 51 LYS CA C 51 57.407 57.407 57.011 0.396 18844 5086 1 14 . 1 1 51 51 LYS CB C 51 30.655 30.655 30.787 -0.132 18844 5087 1 14 . 1 1 51 51 LYS H H 51 9.451 9.451 9.127 0.324 18844 5088 1 14 . 1 1 52 52 GLY N N 52 102.671 102.671 103.661 -0.990 18844 5089 1 14 . 1 1 52 52 GLY CA C 52 45.810 45.810 45.119 0.691 18844 5090 1 14 . 1 1 52 52 GLY H H 52 8.512 8.512 8.204 0.308 18844 5091 1 14 . 1 1 53 53 LYS N N 53 121.307 121.307 121.836 -0.529 18844 5092 1 14 . 1 1 53 53 LYS HA H 53 4.829 4.829 4.651 0.178 18844 5093 1 14 . 1 1 53 53 LYS CA C 53 53.616 53.616 53.015 0.601 18844 5094 1 14 . 1 1 53 53 LYS CB C 53 33.940 33.940 32.623 1.317 18844 5095 1 14 . 1 1 53 53 LYS H H 53 7.781 7.781 7.841 -0.060 18844 5096 1 14 . 1 1 54 54 PRO HA H 54 4.376 4.376 4.215 0.161 18844 5097 1 14 . 1 1 54 54 PRO CA C 54 63.817 63.817 64.163 -0.346 18844 5098 1 14 . 1 1 54 54 PRO CB C 54 32.151 32.151 31.813 0.338 18844 5099 1 14 . 1 1 55 55 ALA N N 55 125.654 125.654 120.003 5.651 18844 5100 1 14 . 1 1 55 55 ALA HA H 55 4.138 4.138 3.958 0.180 18844 5101 1 14 . 1 1 55 55 ALA CA C 55 52.664 52.664 52.744 -0.080 18844 5102 1 14 . 1 1 55 55 ALA CB C 55 20.044 20.044 17.742 2.302 18844 5103 1 14 . 1 1 55 55 ALA H H 55 8.114 8.114 7.982 0.132 18844 5104 1 14 . 1 1 56 56 GLU N N 56 122.313 122.313 118.550 3.763 18844 5105 1 14 . 1 1 56 56 GLU HA H 56 4.215 4.215 4.033 0.182 18844 5106 1 14 . 1 1 56 56 GLU CA C 56 56.089 56.089 59.239 -3.151 18844 5107 1 14 . 1 1 56 56 GLU CB C 56 31.086 31.086 30.085 1.001 18844 5108 1 14 . 1 1 56 56 GLU H H 56 8.179 8.179 8.688 -0.509 18844 5109 1 14 . 1 1 57 57 ASN N N 57 115.140 115.140 110.630 4.510 18844 5110 1 14 . 1 1 57 57 ASN HA H 57 4.229 4.229 4.722 -0.493 18844 5111 1 14 . 1 1 57 57 ASN CA C 57 55.199 55.199 54.003 1.196 18844 5112 1 14 . 1 1 57 57 ASN CB C 57 39.227 39.227 38.482 0.745 18844 5113 1 14 . 1 1 57 57 ASN H H 57 8.504 8.504 8.001 0.503 18844 5114 1 14 . 1 1 58 58 ASP N N 58 112.832 112.832 120.002 -7.170 18844 5115 1 14 . 1 1 58 58 ASP HA H 58 4.488 4.488 4.480 0.008 18844 5116 1 14 . 1 1 58 58 ASP CA C 58 53.608 53.608 55.707 -2.099 18844 5117 1 14 . 1 1 58 58 ASP CB C 58 40.304 40.304 40.545 -0.241 18844 5118 1 14 . 1 1 58 58 ASP H H 58 8.198 8.198 8.485 -0.287 18844 5119 1 14 . 1 1 59 59 VAL N N 59 122.073 122.073 119.642 2.431 18844 5120 1 14 . 1 1 59 59 VAL HA H 59 3.593 3.593 4.006 -0.413 18844 5121 1 14 . 1 1 59 59 VAL CA C 59 63.840 63.840 62.202 1.638 18844 5122 1 14 . 1 1 59 59 VAL CB C 59 32.322 32.322 32.765 -0.443 18844 5123 1 14 . 1 1 59 59 VAL H H 59 7.353 7.353 7.510 -0.157 18844 5124 1 14 . 1 1 60 60 LYS N N 60 125.064 125.064 123.916 1.148 18844 5125 1 14 . 1 1 60 60 LYS HA H 60 4.447 4.447 4.685 -0.238 18844 5126 1 14 . 1 1 60 60 LYS CA C 60 56.185 56.185 55.239 0.946 18844 5127 1 14 . 1 1 60 60 LYS CB C 60 33.105 33.105 33.988 -0.883 18844 5128 1 14 . 1 1 60 60 LYS H H 60 8.339 8.339 8.190 0.149 18844 5129 1 14 . 1 1 61 61 LEU N N 61 121.612 121.612 122.148 -0.536 18844 5130 1 14 . 1 1 61 61 LEU HA H 61 3.776 3.776 3.981 -0.205 18844 5131 1 14 . 1 1 61 61 LEU CA C 61 57.987 57.987 58.248 -0.261 18844 5132 1 14 . 1 1 61 61 LEU CB C 61 40.832 40.832 41.826 -0.994 18844 5133 1 14 . 1 1 61 61 LEU H H 61 9.423 9.423 8.800 0.623 18844 5134 1 14 . 1 1 62 62 GLY N N 62 104.008 104.008 102.678 1.330 18844 5135 1 14 . 1 1 62 62 GLY CA C 62 46.772 46.772 45.613 1.159 18844 5136 1 14 . 1 1 62 62 GLY H H 62 9.107 9.107 8.207 0.900 18844 5137 1 14 . 1 1 63 63 ALA N N 63 122.025 122.025 123.726 -1.701 18844 5138 1 14 . 1 1 63 63 ALA HA H 63 4.273 4.273 4.270 0.003 18844 5139 1 14 . 1 1 63 63 ALA CA C 63 53.421 53.421 54.126 -0.705 18844 5140 1 14 . 1 1 63 63 ALA CB C 63 18.816 18.816 18.509 0.307 18844 5141 1 14 . 1 1 63 63 ALA H H 63 7.755 7.755 7.653 0.102 18844 5142 1 14 . 1 1 64 64 LEU N N 64 115.454 115.454 115.667 -0.213 18844 5143 1 14 . 1 1 64 64 LEU HA H 64 4.068 4.068 4.138 -0.070 18844 5144 1 14 . 1 1 64 64 LEU CA C 64 55.567 55.567 55.762 -0.195 18844 5145 1 14 . 1 1 64 64 LEU CB C 64 42.136 42.136 42.252 -0.116 18844 5146 1 14 . 1 1 64 64 LEU H H 64 7.214 7.214 7.569 -0.355 18844 5147 1 14 . 1 1 65 65 LYS N N 65 114.830 114.830 113.757 1.073 18844 5148 1 14 . 1 1 65 65 LYS HA H 65 3.838 3.838 3.895 -0.057 18844 5149 1 14 . 1 1 65 65 LYS CA C 65 56.737 56.737 56.655 0.082 18844 5150 1 14 . 1 1 65 65 LYS CB C 65 29.307 29.307 29.127 0.180 18844 5151 1 14 . 1 1 65 65 LYS H H 65 7.642 7.642 7.688 -0.046 18844 5152 1 14 . 1 1 66 66 LEU N N 66 119.305 119.305 120.562 -1.257 18844 5153 1 14 . 1 1 66 66 LEU HA H 66 4.163 4.163 4.349 -0.186 18844 5154 1 14 . 1 1 66 66 LEU CA C 66 54.847 54.847 54.319 0.528 18844 5155 1 14 . 1 1 66 66 LEU CB C 66 42.712 42.712 42.964 -0.252 18844 5156 1 14 . 1 1 66 66 LEU H H 66 8.516 8.516 7.712 0.804 18844 5157 1 14 . 1 1 67 67 LYS N N 67 121.480 121.480 122.770 -1.290 18844 5158 1 14 . 1 1 67 67 LYS HA H 67 4.497 4.497 4.397 0.100 18844 5159 1 14 . 1 1 67 67 LYS CA C 67 54.152 54.152 55.740 -1.588 18844 5160 1 14 . 1 1 67 67 LYS CB C 67 31.999 31.999 32.385 -0.386 18844 5161 1 14 . 1 1 67 67 LYS H H 67 7.955 7.955 8.159 -0.204 18844 5162 1 14 . 1 1 68 68 PRO HA H 68 4.169 4.169 4.735 -0.566 18844 5163 1 14 . 1 1 68 68 PRO CA C 68 64.389 64.389 65.110 -0.721 18844 5164 1 14 . 1 1 68 68 PRO CB C 68 32.214 32.214 32.218 -0.004 18844 5165 1 14 . 1 1 69 69 ASN N N 69 115.414 115.414 116.117 -0.703 18844 5166 1 14 . 1 1 69 69 ASN HA H 69 3.962 3.962 4.647 -0.685 18844 5167 1 14 . 1 1 69 69 ASN CA C 69 55.021 55.021 53.528 1.493 18844 5168 1 14 . 1 1 69 69 ASN CB C 69 37.047 37.047 37.768 -0.721 18844 5169 1 14 . 1 1 69 69 ASN H H 69 8.966 8.966 8.290 0.676 18844 5170 1 14 . 1 1 70 70 THR N N 70 115.426 115.426 117.523 -2.097 18844 5171 1 14 . 1 1 70 70 THR HA H 70 3.949 3.949 4.104 -0.155 18844 5172 1 14 . 1 1 70 70 THR CA C 70 65.247 65.247 64.048 1.199 18844 5173 1 14 . 1 1 70 70 THR CB C 70 70.132 70.132 69.577 0.555 18844 5174 1 14 . 1 1 70 70 THR H H 70 7.712 7.712 7.697 0.015 18844 5175 1 14 . 1 1 71 71 LYS N N 71 124.603 124.603 125.584 -0.981 18844 5176 1 14 . 1 1 71 71 LYS HA H 71 5.179 5.179 5.020 0.159 18844 5177 1 14 . 1 1 71 71 LYS CA C 71 55.340 55.340 55.414 -0.074 18844 5178 1 14 . 1 1 71 71 LYS CB C 71 33.729 33.729 33.987 -0.258 18844 5179 1 14 . 1 1 71 71 LYS H H 71 8.284 8.284 8.260 0.024 18844 5180 1 14 . 1 1 72 72 ILE N N 72 123.505 123.505 123.449 0.056 18844 5181 1 14 . 1 1 72 72 ILE HA H 72 4.511 4.511 4.385 0.126 18844 5182 1 14 . 1 1 72 72 ILE CA C 72 59.636 59.636 59.182 0.454 18844 5183 1 14 . 1 1 72 72 ILE CB C 72 40.827 40.827 39.505 1.323 18844 5184 1 14 . 1 1 72 72 ILE H H 72 9.142 9.142 8.438 0.704 18844 5185 1 14 . 1 1 73 73 MET N N 73 123.090 123.090 125.714 -2.624 18844 5186 1 14 . 1 1 73 73 MET HA H 73 5.122 5.122 4.937 0.185 18844 5187 1 14 . 1 1 73 73 MET CA C 73 54.949 54.949 55.311 -0.362 18844 5188 1 14 . 1 1 73 73 MET CB C 73 35.143 35.143 35.133 0.010 18844 5189 1 14 . 1 1 73 73 MET H H 73 8.556 8.556 8.915 -0.359 18844 5190 1 14 . 1 1 74 74 MET N N 74 124.481 124.481 121.293 3.188 18844 5191 1 14 . 1 1 74 74 MET HA H 74 5.288 5.288 4.945 0.343 18844 5192 1 14 . 1 1 74 74 MET CA C 74 54.862 54.862 55.092 -0.230 18844 5193 1 14 . 1 1 74 74 MET CB C 74 36.294 36.294 35.205 1.089 18844 5194 1 14 . 1 1 74 74 MET H H 74 8.924 8.924 8.739 0.185 18844 5195 1 14 . 1 1 75 75 MET N N 75 123.963 123.963 123.541 0.422 18844 5196 1 14 . 1 1 75 75 MET HA H 75 5.093 5.093 5.044 0.049 18844 5197 1 14 . 1 1 75 75 MET CA C 75 54.265 54.265 54.395 -0.130 18844 5198 1 14 . 1 1 75 75 MET CB C 75 35.566 35.566 34.020 1.546 18844 5199 1 14 . 1 1 75 75 MET H H 75 9.112 9.112 8.335 0.777 18844 5200 1 14 . 1 1 76 76 GLY N N 76 109.773 109.773 110.930 -1.157 18844 5201 1 14 . 1 1 76 76 GLY CA C 76 45.901 45.901 45.360 0.541 18844 5202 1 14 . 1 1 76 76 GLY H H 76 8.711 8.711 8.765 -0.054 18844 5203 1 14 . 1 1 77 77 THR N N 77 113.345 113.345 114.150 -0.805 18844 5204 1 14 . 1 1 77 77 THR HA H 77 4.787 4.787 4.684 0.103 18844 5205 1 14 . 1 1 77 77 THR CA C 77 60.728 60.728 60.139 0.589 18844 5206 1 14 . 1 1 77 77 THR CB C 77 71.481 71.481 70.736 0.745 18844 5207 1 14 . 1 1 77 77 THR H H 77 8.280 8.280 8.290 -0.010 18844 5208 1 14 . 1 1 78 78 ARG N N 78 122.844 122.844 124.955 -2.111 18844 5209 1 14 . 1 1 78 78 ARG HA H 78 4.148 4.148 4.165 -0.017 18844 5210 1 14 . 1 1 78 78 ARG CA C 78 56.881 56.881 56.619 0.262 18844 5211 1 14 . 1 1 78 78 ARG CB C 78 31.607 31.607 30.956 0.651 18844 5212 1 14 . 1 1 78 78 ARG H H 78 8.852 8.852 8.540 0.312 18844 5213 1 14 . 1 1 79 79 GLU N N 79 122.181 122.181 121.617 0.564 18844 5214 1 14 . 1 1 79 79 GLU HA H 79 4.206 4.206 4.108 0.098 18844 5215 1 14 . 1 1 79 79 GLU CA C 79 57.007 57.007 57.782 -0.775 18844 5216 1 14 . 1 1 79 79 GLU CB C 79 30.764 30.764 30.003 0.761 18844 5217 1 14 . 1 1 79 79 GLU H H 79 8.300 8.300 8.542 -0.242 18844 5218 1 14 . 1 1 80 80 GLU N N 80 126.965 126.965 121.360 5.605 18844 5219 1 14 . 1 1 80 80 GLU HA H 80 4.049 4.049 4.519 -0.470 18844 5220 1 14 . 1 1 80 80 GLU CA C 80 58.328 58.328 56.352 1.976 18844 5221 1 14 . 1 1 80 80 GLU CB C 80 31.287 31.287 30.054 1.233 18844 5222 1 14 . 1 1 80 80 GLU H H 80 8.015 8.015 8.811 -0.796 18844 5223 1 15 . 1 1 2 2 ALA N N 2 126.014 126.014 122.304 3.710 18844 5224 1 15 . 1 1 2 2 ALA HA H 2 4.033 4.033 4.742 -0.709 18844 5225 1 15 . 1 1 2 2 ALA CA C 2 53.215 53.215 51.156 2.059 18844 5226 1 15 . 1 1 2 2 ALA CB C 2 19.376 19.376 20.453 -1.077 18844 5227 1 15 . 1 1 2 2 ALA H H 2 8.410 8.410 8.290 0.120 18844 5228 1 15 . 1 1 3 3 LEU N N 3 123.255 123.255 124.081 -0.826 18844 5229 1 15 . 1 1 3 3 LEU HA H 3 4.646 4.646 4.588 0.058 18844 5230 1 15 . 1 1 3 3 LEU CA C 3 51.817 51.817 52.078 -0.261 18844 5231 1 15 . 1 1 3 3 LEU CB C 3 43.557 43.557 43.226 0.331 18844 5232 1 15 . 1 1 3 3 LEU H H 3 8.271 8.271 8.356 -0.085 18844 5233 1 15 . 1 1 4 4 PRO HA H 4 4.606 4.606 4.595 0.011 18844 5234 1 15 . 1 1 4 4 PRO CA C 4 63.240 63.240 62.366 0.874 18844 5235 1 15 . 1 1 4 4 PRO CB C 4 32.070 32.070 32.739 -0.669 18844 5236 1 15 . 1 1 5 5 ILE N N 5 122.161 122.161 118.155 4.006 18844 5237 1 15 . 1 1 5 5 ILE HA H 5 4.359 4.359 4.815 -0.456 18844 5238 1 15 . 1 1 5 5 ILE CA C 5 60.833 60.833 60.494 0.339 18844 5239 1 15 . 1 1 5 5 ILE CB C 5 43.943 43.943 42.763 1.180 18844 5240 1 15 . 1 1 5 5 ILE H H 5 8.317 8.317 7.686 0.631 18844 5241 1 15 . 1 1 6 6 ILE N N 6 125.649 125.649 125.910 -0.261 18844 5242 1 15 . 1 1 6 6 ILE HA H 6 4.921 4.921 4.727 0.194 18844 5243 1 15 . 1 1 6 6 ILE CA C 6 59.865 59.865 60.844 -0.979 18844 5244 1 15 . 1 1 6 6 ILE CB C 6 40.264 40.264 40.410 -0.146 18844 5245 1 15 . 1 1 6 6 ILE H H 6 8.408 8.408 8.704 -0.296 18844 5246 1 15 . 1 1 7 7 VAL N N 7 125.741 125.741 126.944 -1.203 18844 5247 1 15 . 1 1 7 7 VAL HA H 7 4.930 4.930 4.731 0.199 18844 5248 1 15 . 1 1 7 7 VAL CA C 7 60.363 60.363 59.511 0.852 18844 5249 1 15 . 1 1 7 7 VAL CB C 7 34.759 34.759 34.959 -0.200 18844 5250 1 15 . 1 1 7 7 VAL H H 7 9.155 9.155 9.123 0.032 18844 5251 1 15 . 1 1 8 8 LYS N N 8 128.098 128.098 128.721 -0.623 18844 5252 1 15 . 1 1 8 8 LYS HA H 8 5.232 5.232 5.176 0.056 18844 5253 1 15 . 1 1 8 8 LYS CA C 8 55.275 55.275 54.787 0.488 18844 5254 1 15 . 1 1 8 8 LYS CB C 8 34.935 34.935 33.467 1.468 18844 5255 1 15 . 1 1 8 8 LYS H H 8 9.174 9.174 8.693 0.481 18844 5256 1 15 . 1 1 9 9 TRP N N 9 125.952 125.952 128.673 -2.721 18844 5257 1 15 . 1 1 9 9 TRP HA H 9 5.185 5.185 4.885 0.300 18844 5258 1 15 . 1 1 9 9 TRP CA C 9 57.734 57.734 56.791 0.943 18844 5259 1 15 . 1 1 9 9 TRP CB C 9 31.561 31.561 30.779 0.782 18844 5260 1 15 . 1 1 9 9 TRP H H 9 8.844 8.844 8.495 0.349 18844 5261 1 15 . 1 1 10 10 GLY N N 10 117.044 117.044 116.286 0.758 18844 5262 1 15 . 1 1 10 10 GLY CA C 10 47.101 47.101 45.187 1.914 18844 5263 1 15 . 1 1 10 10 GLY H H 10 8.683 8.683 8.514 0.169 18844 5264 1 15 . 1 1 11 11 GLY N N 11 109.364 109.364 110.120 -0.756 18844 5265 1 15 . 1 1 11 11 GLY CA C 11 45.460 45.460 45.403 0.057 18844 5266 1 15 . 1 1 11 11 GLY H H 11 8.600 8.600 8.191 0.409 18844 5267 1 15 . 1 1 12 12 GLN N N 12 119.388 119.388 118.929 0.459 18844 5268 1 15 . 1 1 12 12 GLN HA H 12 4.483 4.483 4.655 -0.172 18844 5269 1 15 . 1 1 12 12 GLN CA C 12 54.502 54.502 54.327 0.175 18844 5270 1 15 . 1 1 12 12 GLN CB C 12 32.178 32.178 31.896 0.282 18844 5271 1 15 . 1 1 12 12 GLN H H 12 7.865 7.865 7.862 0.003 18844 5272 1 15 . 1 1 13 13 GLU N N 13 119.756 119.756 118.523 1.233 18844 5273 1 15 . 1 1 13 13 GLU HA H 13 4.880 4.880 4.850 0.030 18844 5274 1 15 . 1 1 13 13 GLU CA C 13 55.655 55.655 55.310 0.345 18844 5275 1 15 . 1 1 13 13 GLU CB C 13 32.306 32.306 32.698 -0.392 18844 5276 1 15 . 1 1 13 13 GLU H H 13 8.172 8.172 8.349 -0.177 18844 5277 1 15 . 1 1 14 14 TYR N N 14 122.812 122.812 121.423 1.389 18844 5278 1 15 . 1 1 14 14 TYR HA H 14 4.601 4.601 4.754 -0.153 18844 5279 1 15 . 1 1 14 14 TYR CA C 14 57.246 57.246 56.871 0.374 18844 5280 1 15 . 1 1 14 14 TYR CB C 14 40.544 40.544 41.281 -0.737 18844 5281 1 15 . 1 1 14 14 TYR H H 14 9.381 9.381 8.712 0.669 18844 5282 1 15 . 1 1 15 15 SER N N 15 118.339 118.339 119.607 -1.268 18844 5283 1 15 . 1 1 15 15 SER HA H 15 4.747 4.747 4.698 0.049 18844 5284 1 15 . 1 1 15 15 SER CA C 15 58.099 58.099 58.219 -0.120 18844 5285 1 15 . 1 1 15 15 SER CB C 15 63.394 63.394 63.994 -0.600 18844 5286 1 15 . 1 1 15 15 SER H H 15 8.802 8.802 8.698 0.104 18844 5287 1 15 . 1 1 16 16 VAL N N 16 128.611 128.611 124.983 3.628 18844 5288 1 15 . 1 1 16 16 VAL HA H 16 4.205 4.205 4.300 -0.095 18844 5289 1 15 . 1 1 16 16 VAL CA C 16 62.344 62.344 62.036 0.308 18844 5290 1 15 . 1 1 16 16 VAL CB C 16 32.528 32.528 32.457 0.071 18844 5291 1 15 . 1 1 16 16 VAL H H 16 9.005 9.005 8.795 0.210 18844 5292 1 15 . 1 1 17 17 THR N N 17 116.170 116.170 116.981 -0.811 18844 5293 1 15 . 1 1 17 17 THR HA H 17 4.533 4.533 4.670 -0.137 18844 5294 1 15 . 1 1 17 17 THR CA C 17 62.331 62.331 61.948 0.383 18844 5295 1 15 . 1 1 17 17 THR CB C 17 70.040 70.040 69.297 0.743 18844 5296 1 15 . 1 1 17 17 THR H H 17 8.746 8.746 8.610 0.136 18844 5297 1 15 . 1 1 18 18 THR N N 18 107.517 107.517 116.061 -8.544 18844 5298 1 15 . 1 1 18 18 THR HA H 18 4.173 4.173 4.194 -0.021 18844 5299 1 15 . 1 1 18 18 THR CA C 18 61.772 61.772 62.425 -0.653 18844 5300 1 15 . 1 1 18 18 THR CB C 18 69.121 69.121 68.806 0.315 18844 5301 1 15 . 1 1 18 18 THR H H 18 6.812 6.812 8.107 -1.295 18844 5302 1 15 . 1 1 19 19 LEU N N 19 123.019 123.019 122.537 0.482 18844 5303 1 15 . 1 1 19 19 LEU HA H 19 4.583 4.583 4.262 0.321 18844 5304 1 15 . 1 1 19 19 LEU CA C 19 54.180 54.180 54.986 -0.806 18844 5305 1 15 . 1 1 19 19 LEU CB C 19 42.711 42.711 43.687 -0.976 18844 5306 1 15 . 1 1 19 19 LEU H H 19 8.388 8.388 7.501 0.887 18844 5307 1 15 . 1 1 20 20 SER N N 20 117.870 117.870 113.755 4.115 18844 5308 1 15 . 1 1 20 20 SER HA H 20 4.863 4.863 4.782 0.081 18844 5309 1 15 . 1 1 20 20 SER CA C 20 56.832 56.832 56.447 0.385 18844 5310 1 15 . 1 1 20 20 SER CB C 20 67.845 67.845 66.090 1.755 18844 5311 1 15 . 1 1 20 20 SER H H 20 9.714 9.714 8.887 0.827 18844 5312 1 15 . 1 1 21 21 GLU N N 21 116.130 116.130 121.751 -5.621 18844 5313 1 15 . 1 1 21 21 GLU HA H 21 3.740 3.740 4.016 -0.276 18844 5314 1 15 . 1 1 21 21 GLU CA C 21 59.134 59.134 59.638 -0.504 18844 5315 1 15 . 1 1 21 21 GLU CB C 21 30.854 30.854 29.339 1.515 18844 5316 1 15 . 1 1 21 21 GLU H H 21 8.491 8.491 8.526 -0.035 18844 5317 1 15 . 1 1 22 22 ASP N N 22 115.741 115.741 118.439 -2.698 18844 5318 1 15 . 1 1 22 22 ASP HA H 22 4.650 4.650 4.458 0.192 18844 5319 1 15 . 1 1 22 22 ASP CA C 22 55.156 55.156 56.312 -1.156 18844 5320 1 15 . 1 1 22 22 ASP CB C 22 42.579 42.579 41.147 1.432 18844 5321 1 15 . 1 1 22 22 ASP H H 22 7.936 7.936 8.492 -0.556 18844 5322 1 15 . 1 1 23 23 ASP N N 23 119.945 119.945 117.756 2.189 18844 5323 1 15 . 1 1 23 23 ASP HA H 23 4.841 4.841 4.713 0.128 18844 5324 1 15 . 1 1 23 23 ASP CA C 23 55.223 55.223 54.555 0.668 18844 5325 1 15 . 1 1 23 23 ASP CB C 23 42.782 42.782 41.715 1.067 18844 5326 1 15 . 1 1 23 23 ASP H H 23 7.313 7.313 7.747 -0.434 18844 5327 1 15 . 1 1 24 24 THR N N 24 107.918 107.918 109.035 -1.117 18844 5328 1 15 . 1 1 24 24 THR HA H 24 5.328 5.328 4.741 0.587 18844 5329 1 15 . 1 1 24 24 THR CA C 24 60.989 60.989 60.317 0.672 18844 5330 1 15 . 1 1 24 24 THR CB C 24 74.287 74.287 72.201 2.087 18844 5331 1 15 . 1 1 24 24 THR H H 24 9.630 9.630 7.766 1.864 18844 5332 1 15 . 1 1 25 25 VAL N N 25 120.192 120.192 121.977 -1.785 18844 5333 1 15 . 1 1 25 25 VAL HA H 25 3.334 3.334 3.604 -0.271 18844 5334 1 15 . 1 1 25 25 VAL CA C 25 67.626 67.626 67.552 0.074 18844 5335 1 15 . 1 1 25 25 VAL CB C 25 32.149 32.149 31.450 0.699 18844 5336 1 15 . 1 1 25 25 VAL H H 25 8.260 8.260 8.690 -0.430 18844 5337 1 15 . 1 1 26 26 LEU N N 26 119.941 119.941 117.706 2.235 18844 5338 1 15 . 1 1 26 26 LEU HA H 26 3.872 3.872 4.043 -0.171 18844 5339 1 15 . 1 1 26 26 LEU CA C 26 58.592 58.592 58.170 0.422 18844 5340 1 15 . 1 1 26 26 LEU CB C 26 41.716 41.716 41.298 0.418 18844 5341 1 15 . 1 1 26 26 LEU H H 26 8.523 8.523 7.710 0.813 18844 5342 1 15 . 1 1 27 27 ASP N N 27 118.322 118.322 119.123 -0.801 18844 5343 1 15 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.447 -0.174 18844 5344 1 15 . 1 1 27 27 ASP CA C 27 58.663 58.663 57.355 1.308 18844 5345 1 15 . 1 1 27 27 ASP CB C 27 40.931 40.931 40.910 0.021 18844 5346 1 15 . 1 1 27 27 ASP H H 27 7.581 7.581 7.469 0.112 18844 5347 1 15 . 1 1 28 28 LEU N N 28 122.021 122.021 120.510 1.511 18844 5348 1 15 . 1 1 28 28 LEU HA H 28 4.083 4.083 4.129 -0.046 18844 5349 1 15 . 1 1 28 28 LEU CA C 28 58.772 58.772 58.056 0.716 18844 5350 1 15 . 1 1 28 28 LEU CB C 28 41.225 41.225 42.285 -1.060 18844 5351 1 15 . 1 1 28 28 LEU H H 28 7.837 7.837 7.658 0.179 18844 5352 1 15 . 1 1 29 29 LYS N N 29 119.086 119.086 119.413 -0.327 18844 5353 1 15 . 1 1 29 29 LYS HA H 29 4.520 4.520 3.940 0.580 18844 5354 1 15 . 1 1 29 29 LYS CA C 29 59.787 59.787 60.678 -0.891 18844 5355 1 15 . 1 1 29 29 LYS CB C 29 34.297 34.297 32.170 2.127 18844 5356 1 15 . 1 1 29 29 LYS H H 29 8.467 8.467 8.469 -0.002 18844 5357 1 15 . 1 1 30 30 GLN N N 30 119.268 119.268 118.793 0.475 18844 5358 1 15 . 1 1 30 30 GLN HA H 30 3.932 3.932 4.013 -0.081 18844 5359 1 15 . 1 1 30 30 GLN CA C 30 59.663 59.663 58.644 1.019 18844 5360 1 15 . 1 1 30 30 GLN CB C 30 27.806 27.806 27.904 -0.098 18844 5361 1 15 . 1 1 30 30 GLN H H 30 9.049 9.049 8.152 0.897 18844 5362 1 15 . 1 1 31 31 PHE N N 31 121.690 121.690 120.543 1.147 18844 5363 1 15 . 1 1 31 31 PHE HA H 31 4.218 4.218 4.276 -0.058 18844 5364 1 15 . 1 1 31 31 PHE CA C 31 61.967 61.967 60.970 0.997 18844 5365 1 15 . 1 1 31 31 PHE CB C 31 39.374 39.374 39.447 -0.073 18844 5366 1 15 . 1 1 31 31 PHE H H 31 8.039 8.039 7.454 0.585 18844 5367 1 15 . 1 1 32 32 LEU N N 32 118.232 118.232 117.883 0.349 18844 5368 1 15 . 1 1 32 32 LEU HA H 32 3.637 3.637 4.090 -0.453 18844 5369 1 15 . 1 1 32 32 LEU CA C 32 57.708 57.708 58.228 -0.520 18844 5370 1 15 . 1 1 32 32 LEU CB C 32 41.270 41.270 41.362 -0.092 18844 5371 1 15 . 1 1 32 32 LEU H H 32 8.776 8.776 8.237 0.539 18844 5372 1 15 . 1 1 33 33 LYS N N 33 125.920 125.920 119.029 6.891 18844 5373 1 15 . 1 1 33 33 LYS HA H 33 3.802 3.802 3.815 -0.013 18844 5374 1 15 . 1 1 33 33 LYS CA C 33 60.116 60.116 59.152 0.964 18844 5375 1 15 . 1 1 33 33 LYS CB C 33 31.701 31.701 31.512 0.189 18844 5376 1 15 . 1 1 33 33 LYS H H 33 8.237 8.237 8.529 -0.292 18844 5377 1 15 . 1 1 34 34 THR N N 34 114.544 114.544 111.983 2.561 18844 5378 1 15 . 1 1 34 34 THR HA H 34 3.773 3.773 4.065 -0.292 18844 5379 1 15 . 1 1 34 34 THR CA C 34 65.749 65.749 63.866 1.883 18844 5380 1 15 . 1 1 34 34 THR CB C 34 68.620 68.620 68.702 -0.082 18844 5381 1 15 . 1 1 34 34 THR H H 34 7.281 7.281 7.117 0.164 18844 5382 1 15 . 1 1 35 35 LEU N N 35 117.590 117.590 120.392 -2.802 18844 5383 1 15 . 1 1 35 35 LEU HA H 35 4.018 4.018 4.126 -0.108 18844 5384 1 15 . 1 1 35 35 LEU CA C 35 57.015 57.015 57.107 -0.092 18844 5385 1 15 . 1 1 35 35 LEU CB C 35 44.003 44.003 42.663 1.340 18844 5386 1 15 . 1 1 35 35 LEU H H 35 6.752 6.752 7.703 -0.951 18844 5387 1 15 . 1 1 36 36 THR N N 36 104.865 104.865 109.225 -4.360 18844 5388 1 15 . 1 1 36 36 THR HA H 36 3.967 3.967 4.317 -0.350 18844 5389 1 15 . 1 1 36 36 THR CA C 36 62.756 62.756 61.912 0.844 18844 5390 1 15 . 1 1 36 36 THR CB C 36 72.343 72.343 69.839 2.504 18844 5391 1 15 . 1 1 36 36 THR H H 36 7.675 7.675 7.654 0.021 18844 5392 1 15 . 1 1 37 37 GLY N N 37 109.795 109.795 109.444 0.351 18844 5393 1 15 . 1 1 37 37 GLY CA C 37 45.559 45.559 44.718 0.841 18844 5394 1 15 . 1 1 37 37 GLY H H 37 7.971 7.971 7.390 0.581 18844 5395 1 15 . 1 1 38 38 VAL N N 38 122.557 122.557 119.390 3.167 18844 5396 1 15 . 1 1 38 38 VAL HA H 38 3.638 3.638 3.969 -0.331 18844 5397 1 15 . 1 1 38 38 VAL CA C 38 62.437 62.437 59.789 2.648 18844 5398 1 15 . 1 1 38 38 VAL CB C 38 31.390 31.390 33.606 -2.216 18844 5399 1 15 . 1 1 38 38 VAL H H 38 7.533 7.533 7.554 -0.021 18844 5400 1 15 . 1 1 39 39 LEU N N 39 127.828 127.828 123.518 4.310 18844 5401 1 15 . 1 1 39 39 LEU HA H 39 3.994 3.994 4.424 -0.430 18844 5402 1 15 . 1 1 39 39 LEU CA C 39 54.437 54.437 53.323 1.114 18844 5403 1 15 . 1 1 39 39 LEU CB C 39 40.557 40.557 40.167 0.390 18844 5404 1 15 . 1 1 39 39 LEU H H 39 8.634 8.634 8.231 0.403 18844 5405 1 15 . 1 1 40 40 PRO HA H 40 3.839 3.839 4.565 -0.726 18844 5406 1 15 . 1 1 40 40 PRO CA C 40 66.989 66.989 64.709 2.280 18844 5407 1 15 . 1 1 40 40 PRO CB C 40 32.322 32.322 31.974 0.348 18844 5408 1 15 . 1 1 41 41 GLU N N 41 114.752 114.752 118.046 -3.294 18844 5409 1 15 . 1 1 41 41 GLU HA H 41 4.071 4.071 4.069 0.002 18844 5410 1 15 . 1 1 41 41 GLU CA C 41 58.938 58.938 58.619 0.319 18844 5411 1 15 . 1 1 41 41 GLU CB C 41 28.824 28.824 29.478 -0.654 18844 5412 1 15 . 1 1 41 41 GLU H H 41 9.746 9.746 8.653 1.093 18844 5413 1 15 . 1 1 42 42 ARG N N 42 118.145 118.145 115.971 2.174 18844 5414 1 15 . 1 1 42 42 ARG HA H 42 4.315 4.315 4.433 -0.118 18844 5415 1 15 . 1 1 42 42 ARG CA C 42 55.448 55.448 56.797 -1.349 18844 5416 1 15 . 1 1 42 42 ARG CB C 42 31.105 31.105 31.865 -0.760 18844 5417 1 15 . 1 1 42 42 ARG H H 42 7.938 7.938 7.551 0.387 18844 5418 1 15 . 1 1 43 43 GLN N N 43 118.250 118.250 118.052 0.198 18844 5419 1 15 . 1 1 43 43 GLN HA H 43 4.251 4.251 4.778 -0.527 18844 5420 1 15 . 1 1 43 43 GLN CA C 43 56.537 56.537 54.682 1.855 18844 5421 1 15 . 1 1 43 43 GLN CB C 43 30.992 30.992 31.314 -0.322 18844 5422 1 15 . 1 1 43 43 GLN H H 43 7.034 7.034 7.818 -0.784 18844 5423 1 15 . 1 1 44 44 LYS N N 44 122.693 122.693 121.014 1.679 18844 5424 1 15 . 1 1 44 44 LYS HA H 44 4.464 4.464 4.721 -0.257 18844 5425 1 15 . 1 1 44 44 LYS CA C 44 55.552 55.552 53.939 1.613 18844 5426 1 15 . 1 1 44 44 LYS CB C 44 34.325 34.325 34.955 -0.630 18844 5427 1 15 . 1 1 44 44 LYS H H 44 8.806 8.806 8.846 -0.040 18844 5428 1 15 . 1 1 45 45 LEU N N 45 124.806 124.806 124.118 0.688 18844 5429 1 15 . 1 1 45 45 LEU HA H 45 4.943 4.943 4.318 0.625 18844 5430 1 15 . 1 1 45 45 LEU CA C 45 53.542 53.542 55.418 -1.876 18844 5431 1 15 . 1 1 45 45 LEU CB C 45 41.821 41.821 40.829 0.992 18844 5432 1 15 . 1 1 45 45 LEU H H 45 8.704 8.704 8.732 -0.028 18844 5433 1 15 . 1 1 46 46 LEU N N 46 124.709 124.709 126.251 -1.542 18844 5434 1 15 . 1 1 46 46 LEU HA H 46 4.358 4.358 4.441 -0.083 18844 5435 1 15 . 1 1 46 46 LEU CA C 46 55.759 55.759 57.264 -1.505 18844 5436 1 15 . 1 1 46 46 LEU CB C 46 42.526 42.526 42.551 -0.025 18844 5437 1 15 . 1 1 46 46 LEU H H 46 8.751 8.751 8.021 0.730 18844 5438 1 15 . 1 1 47 47 GLY N N 47 109.276 109.276 107.662 1.614 18844 5439 1 15 . 1 1 47 47 GLY CA C 47 45.560 45.560 44.872 0.688 18844 5440 1 15 . 1 1 47 47 GLY H H 47 8.300 8.300 8.427 -0.127 18844 5441 1 15 . 1 1 48 48 LEU N N 48 119.707 119.707 116.435 3.272 18844 5442 1 15 . 1 1 48 48 LEU HA H 48 4.590 4.590 4.184 0.406 18844 5443 1 15 . 1 1 48 48 LEU CA C 48 53.945 53.945 56.498 -2.553 18844 5444 1 15 . 1 1 48 48 LEU CB C 48 41.414 41.414 42.181 -0.767 18844 5445 1 15 . 1 1 48 48 LEU H H 48 7.581 7.581 7.372 0.209 18844 5446 1 15 . 1 1 49 49 LYS N N 49 124.527 124.527 117.836 6.691 18844 5447 1 15 . 1 1 49 49 LYS HA H 49 4.852 4.852 4.597 0.255 18844 5448 1 15 . 1 1 49 49 LYS CA C 49 55.663 55.663 54.979 0.684 18844 5449 1 15 . 1 1 49 49 LYS CB C 49 37.581 37.581 34.561 3.020 18844 5450 1 15 . 1 1 49 49 LYS H H 49 8.606 8.606 7.368 1.238 18844 5451 1 15 . 1 1 50 50 VAL N N 50 119.184 119.184 121.401 -2.217 18844 5452 1 15 . 1 1 50 50 VAL HA H 50 4.113 4.113 4.286 -0.173 18844 5453 1 15 . 1 1 50 50 VAL CA C 50 61.865 61.865 61.166 0.699 18844 5454 1 15 . 1 1 50 50 VAL CB C 50 34.734 34.734 35.523 -0.789 18844 5455 1 15 . 1 1 50 50 VAL H H 50 8.799 8.799 8.652 0.147 18844 5456 1 15 . 1 1 51 51 LYS N N 51 127.069 127.069 124.728 2.341 18844 5457 1 15 . 1 1 51 51 LYS HA H 51 3.824 3.824 3.986 -0.162 18844 5458 1 15 . 1 1 51 51 LYS CA C 51 57.407 57.407 56.922 0.485 18844 5459 1 15 . 1 1 51 51 LYS CB C 51 30.655 30.655 30.781 -0.126 18844 5460 1 15 . 1 1 51 51 LYS H H 51 9.451 9.451 9.127 0.325 18844 5461 1 15 . 1 1 52 52 GLY N N 52 102.671 102.671 103.555 -0.884 18844 5462 1 15 . 1 1 52 52 GLY CA C 52 45.810 45.810 45.081 0.729 18844 5463 1 15 . 1 1 52 52 GLY H H 52 8.512 8.512 8.195 0.317 18844 5464 1 15 . 1 1 53 53 LYS N N 53 121.307 121.307 122.053 -0.746 18844 5465 1 15 . 1 1 53 53 LYS HA H 53 4.829 4.829 4.660 0.169 18844 5466 1 15 . 1 1 53 53 LYS CA C 53 53.616 53.616 52.984 0.632 18844 5467 1 15 . 1 1 53 53 LYS CB C 53 33.940 33.940 32.667 1.273 18844 5468 1 15 . 1 1 53 53 LYS H H 53 7.781 7.781 7.837 -0.056 18844 5469 1 15 . 1 1 54 54 PRO HA H 54 4.376 4.376 4.218 0.158 18844 5470 1 15 . 1 1 54 54 PRO CA C 54 63.817 63.817 64.212 -0.395 18844 5471 1 15 . 1 1 54 54 PRO CB C 54 32.151 32.151 31.790 0.362 18844 5472 1 15 . 1 1 55 55 ALA N N 55 125.654 125.654 118.626 7.028 18844 5473 1 15 . 1 1 55 55 ALA HA H 55 4.138 4.138 3.933 0.205 18844 5474 1 15 . 1 1 55 55 ALA CA C 55 52.664 52.664 52.934 -0.270 18844 5475 1 15 . 1 1 55 55 ALA CB C 55 20.044 20.044 17.928 2.116 18844 5476 1 15 . 1 1 55 55 ALA H H 55 8.114 8.114 8.102 0.012 18844 5477 1 15 . 1 1 56 56 GLU N N 56 122.313 122.313 118.171 4.142 18844 5478 1 15 . 1 1 56 56 GLU HA H 56 4.215 4.215 4.056 0.159 18844 5479 1 15 . 1 1 56 56 GLU CA C 56 56.089 56.089 59.218 -3.128 18844 5480 1 15 . 1 1 56 56 GLU CB C 56 31.086 31.086 30.283 0.803 18844 5481 1 15 . 1 1 56 56 GLU H H 56 8.179 8.179 8.594 -0.415 18844 5482 1 15 . 1 1 57 57 ASN N N 57 115.140 115.140 110.040 5.100 18844 5483 1 15 . 1 1 57 57 ASN HA H 57 4.229 4.229 4.706 -0.477 18844 5484 1 15 . 1 1 57 57 ASN CA C 57 55.199 55.199 53.925 1.274 18844 5485 1 15 . 1 1 57 57 ASN CB C 57 39.227 39.227 38.828 0.399 18844 5486 1 15 . 1 1 57 57 ASN H H 57 8.504 8.504 7.968 0.536 18844 5487 1 15 . 1 1 58 58 ASP N N 58 112.832 112.832 119.814 -6.982 18844 5488 1 15 . 1 1 58 58 ASP HA H 58 4.488 4.488 4.564 -0.076 18844 5489 1 15 . 1 1 58 58 ASP CA C 58 53.608 53.608 55.027 -1.419 18844 5490 1 15 . 1 1 58 58 ASP CB C 58 40.304 40.304 40.448 -0.144 18844 5491 1 15 . 1 1 58 58 ASP H H 58 8.198 8.198 8.616 -0.418 18844 5492 1 15 . 1 1 59 59 VAL N N 59 122.073 122.073 119.033 3.040 18844 5493 1 15 . 1 1 59 59 VAL HA H 59 3.593 3.593 4.132 -0.539 18844 5494 1 15 . 1 1 59 59 VAL CA C 59 63.840 63.840 60.928 2.912 18844 5495 1 15 . 1 1 59 59 VAL CB C 59 32.322 32.322 33.196 -0.874 18844 5496 1 15 . 1 1 59 59 VAL H H 59 7.353 7.353 7.480 -0.127 18844 5497 1 15 . 1 1 60 60 LYS N N 60 125.064 125.064 123.774 1.290 18844 5498 1 15 . 1 1 60 60 LYS HA H 60 4.447 4.447 4.641 -0.194 18844 5499 1 15 . 1 1 60 60 LYS CA C 60 56.185 56.185 55.205 0.980 18844 5500 1 15 . 1 1 60 60 LYS CB C 60 33.105 33.105 33.876 -0.771 18844 5501 1 15 . 1 1 60 60 LYS H H 60 8.339 8.339 8.305 0.034 18844 5502 1 15 . 1 1 61 61 LEU N N 61 121.612 121.612 122.812 -1.200 18844 5503 1 15 . 1 1 61 61 LEU HA H 61 3.776 3.776 4.023 -0.247 18844 5504 1 15 . 1 1 61 61 LEU CA C 61 57.987 57.987 57.908 0.079 18844 5505 1 15 . 1 1 61 61 LEU CB C 61 40.832 40.832 41.837 -1.005 18844 5506 1 15 . 1 1 61 61 LEU H H 61 9.423 9.423 8.866 0.557 18844 5507 1 15 . 1 1 62 62 GLY N N 62 104.008 104.008 103.420 0.588 18844 5508 1 15 . 1 1 62 62 GLY CA C 62 46.772 46.772 45.714 1.058 18844 5509 1 15 . 1 1 62 62 GLY H H 62 9.107 9.107 7.867 1.240 18844 5510 1 15 . 1 1 63 63 ALA N N 63 122.025 122.025 122.487 -0.462 18844 5511 1 15 . 1 1 63 63 ALA HA H 63 4.273 4.273 4.436 -0.163 18844 5512 1 15 . 1 1 63 63 ALA CA C 63 53.421 53.421 53.227 0.195 18844 5513 1 15 . 1 1 63 63 ALA CB C 63 18.816 18.816 19.008 -0.192 18844 5514 1 15 . 1 1 63 63 ALA H H 63 7.755 7.755 7.648 0.107 18844 5515 1 15 . 1 1 64 64 LEU N N 64 115.454 115.454 115.571 -0.117 18844 5516 1 15 . 1 1 64 64 LEU HA H 64 4.068 4.068 4.269 -0.201 18844 5517 1 15 . 1 1 64 64 LEU CA C 64 55.567 55.567 54.959 0.608 18844 5518 1 15 . 1 1 64 64 LEU CB C 64 42.136 42.136 42.265 -0.129 18844 5519 1 15 . 1 1 64 64 LEU H H 64 7.214 7.214 7.300 -0.086 18844 5520 1 15 . 1 1 65 65 LYS N N 65 114.830 114.830 114.638 0.192 18844 5521 1 15 . 1 1 65 65 LYS HA H 65 3.838 3.838 3.869 -0.031 18844 5522 1 15 . 1 1 65 65 LYS CA C 65 56.737 56.737 56.613 0.124 18844 5523 1 15 . 1 1 65 65 LYS CB C 65 29.307 29.307 29.302 0.005 18844 5524 1 15 . 1 1 65 65 LYS H H 65 7.642 7.642 7.695 -0.053 18844 5525 1 15 . 1 1 66 66 LEU N N 66 119.305 119.305 119.545 -0.240 18844 5526 1 15 . 1 1 66 66 LEU HA H 66 4.163 4.163 4.312 -0.149 18844 5527 1 15 . 1 1 66 66 LEU CA C 66 54.847 54.847 54.452 0.395 18844 5528 1 15 . 1 1 66 66 LEU CB C 66 42.712 42.712 43.043 -0.331 18844 5529 1 15 . 1 1 66 66 LEU H H 66 8.516 8.516 7.703 0.813 18844 5530 1 15 . 1 1 67 67 LYS N N 67 121.480 121.480 122.930 -1.450 18844 5531 1 15 . 1 1 67 67 LYS HA H 67 4.497 4.497 4.399 0.098 18844 5532 1 15 . 1 1 67 67 LYS CA C 67 54.152 54.152 55.681 -1.528 18844 5533 1 15 . 1 1 67 67 LYS CB C 67 31.999 31.999 32.315 -0.316 18844 5534 1 15 . 1 1 67 67 LYS H H 67 7.955 7.955 8.121 -0.166 18844 5535 1 15 . 1 1 68 68 PRO HA H 68 4.169 4.169 4.724 -0.555 18844 5536 1 15 . 1 1 68 68 PRO CA C 68 64.389 64.389 65.025 -0.636 18844 5537 1 15 . 1 1 68 68 PRO CB C 68 32.214 32.214 32.298 -0.084 18844 5538 1 15 . 1 1 69 69 ASN N N 69 115.414 115.414 114.899 0.515 18844 5539 1 15 . 1 1 69 69 ASN HA H 69 3.962 3.962 4.570 -0.608 18844 5540 1 15 . 1 1 69 69 ASN CA C 69 55.021 55.021 53.642 1.379 18844 5541 1 15 . 1 1 69 69 ASN CB C 69 37.047 37.047 37.668 -0.621 18844 5542 1 15 . 1 1 69 69 ASN H H 69 8.966 8.966 8.124 0.842 18844 5543 1 15 . 1 1 70 70 THR N N 70 115.426 115.426 115.947 -0.521 18844 5544 1 15 . 1 1 70 70 THR HA H 70 3.949 3.949 4.065 -0.116 18844 5545 1 15 . 1 1 70 70 THR CA C 70 65.247 65.247 64.654 0.592 18844 5546 1 15 . 1 1 70 70 THR CB C 70 70.132 70.132 68.997 1.135 18844 5547 1 15 . 1 1 70 70 THR H H 70 7.712 7.712 7.755 -0.043 18844 5548 1 15 . 1 1 71 71 LYS N N 71 124.603 124.603 124.491 0.112 18844 5549 1 15 . 1 1 71 71 LYS HA H 71 5.179 5.179 5.186 -0.007 18844 5550 1 15 . 1 1 71 71 LYS CA C 71 55.340 55.340 55.203 0.137 18844 5551 1 15 . 1 1 71 71 LYS CB C 71 33.729 33.729 34.644 -0.915 18844 5552 1 15 . 1 1 71 71 LYS H H 71 8.284 8.284 8.441 -0.157 18844 5553 1 15 . 1 1 72 72 ILE N N 72 123.505 123.505 123.697 -0.192 18844 5554 1 15 . 1 1 72 72 ILE HA H 72 4.511 4.511 4.387 0.124 18844 5555 1 15 . 1 1 72 72 ILE CA C 72 59.636 59.636 59.193 0.443 18844 5556 1 15 . 1 1 72 72 ILE CB C 72 40.827 40.827 39.483 1.344 18844 5557 1 15 . 1 1 72 72 ILE H H 72 9.142 9.142 8.511 0.631 18844 5558 1 15 . 1 1 73 73 MET N N 73 123.090 123.090 125.768 -2.678 18844 5559 1 15 . 1 1 73 73 MET HA H 73 5.122 5.122 4.927 0.195 18844 5560 1 15 . 1 1 73 73 MET CA C 73 54.949 54.949 55.308 -0.359 18844 5561 1 15 . 1 1 73 73 MET CB C 73 35.143 35.143 35.068 0.075 18844 5562 1 15 . 1 1 73 73 MET H H 73 8.556 8.556 8.917 -0.361 18844 5563 1 15 . 1 1 74 74 MET N N 74 124.481 124.481 121.302 3.179 18844 5564 1 15 . 1 1 74 74 MET HA H 74 5.288 5.288 4.941 0.347 18844 5565 1 15 . 1 1 74 74 MET CA C 74 54.862 54.862 55.076 -0.214 18844 5566 1 15 . 1 1 74 74 MET CB C 74 36.294 36.294 35.150 1.145 18844 5567 1 15 . 1 1 74 74 MET H H 74 8.924 8.924 8.754 0.170 18844 5568 1 15 . 1 1 75 75 MET N N 75 123.963 123.963 123.492 0.471 18844 5569 1 15 . 1 1 75 75 MET HA H 75 5.093 5.093 5.035 0.058 18844 5570 1 15 . 1 1 75 75 MET CA C 75 54.265 54.265 54.398 -0.133 18844 5571 1 15 . 1 1 75 75 MET CB C 75 35.566 35.566 33.998 1.568 18844 5572 1 15 . 1 1 75 75 MET H H 75 9.112 9.112 8.310 0.802 18844 5573 1 15 . 1 1 76 76 GLY N N 76 109.773 109.773 111.572 -1.799 18844 5574 1 15 . 1 1 76 76 GLY CA C 76 45.901 45.901 45.353 0.548 18844 5575 1 15 . 1 1 76 76 GLY H H 76 8.711 8.711 8.742 -0.031 18844 5576 1 15 . 1 1 77 77 THR N N 77 113.345 113.345 114.273 -0.928 18844 5577 1 15 . 1 1 77 77 THR HA H 77 4.787 4.787 4.711 0.076 18844 5578 1 15 . 1 1 77 77 THR CA C 77 60.728 60.728 60.344 0.384 18844 5579 1 15 . 1 1 77 77 THR CB C 77 71.481 71.481 70.988 0.493 18844 5580 1 15 . 1 1 77 77 THR H H 77 8.280 8.280 8.290 -0.010 18844 5581 1 15 . 1 1 78 78 ARG N N 78 122.844 122.844 125.705 -2.861 18844 5582 1 15 . 1 1 78 78 ARG HA H 78 4.148 4.148 4.281 -0.133 18844 5583 1 15 . 1 1 78 78 ARG CA C 78 56.881 56.881 56.571 0.310 18844 5584 1 15 . 1 1 78 78 ARG CB C 78 31.607 31.607 30.884 0.723 18844 5585 1 15 . 1 1 78 78 ARG H H 78 8.852 8.852 8.501 0.351 18844 5586 1 15 . 1 1 79 79 GLU N N 79 122.181 122.181 120.944 1.237 18844 5587 1 15 . 1 1 79 79 GLU HA H 79 4.206 4.206 4.259 -0.053 18844 5588 1 15 . 1 1 79 79 GLU CA C 79 57.007 57.007 56.596 0.411 18844 5589 1 15 . 1 1 79 79 GLU CB C 79 30.764 30.764 30.237 0.527 18844 5590 1 15 . 1 1 79 79 GLU H H 79 8.300 8.300 8.279 0.021 18844 5591 1 15 . 1 1 80 80 GLU N N 80 126.965 126.965 118.927 8.038 18844 5592 1 15 . 1 1 80 80 GLU HA H 80 4.049 4.049 4.451 -0.402 18844 5593 1 15 . 1 1 80 80 GLU CA C 80 58.328 58.328 56.438 1.890 18844 5594 1 15 . 1 1 80 80 GLU CB C 80 31.287 31.287 30.634 0.653 18844 5595 1 15 . 1 1 80 80 GLU H H 80 8.015 8.015 8.895 -0.880 18844 5596 1 16 . 1 1 2 2 ALA N N 2 126.014 126.014 123.586 2.428 18844 5597 1 16 . 1 1 2 2 ALA HA H 2 4.033 4.033 4.473 -0.440 18844 5598 1 16 . 1 1 2 2 ALA CA C 2 53.215 53.215 51.603 1.612 18844 5599 1 16 . 1 1 2 2 ALA CB C 2 19.376 19.376 19.814 -0.438 18844 5600 1 16 . 1 1 2 2 ALA H H 2 8.410 8.410 8.238 0.172 18844 5601 1 16 . 1 1 3 3 LEU N N 3 123.255 123.255 124.012 -0.757 18844 5602 1 16 . 1 1 3 3 LEU HA H 3 4.646 4.646 4.574 0.072 18844 5603 1 16 . 1 1 3 3 LEU CA C 3 51.817 51.817 52.611 -0.794 18844 5604 1 16 . 1 1 3 3 LEU CB C 3 43.557 43.557 42.043 1.514 18844 5605 1 16 . 1 1 3 3 LEU H H 3 8.271 8.271 8.427 -0.156 18844 5606 1 16 . 1 1 4 4 PRO HA H 4 4.606 4.606 4.563 0.043 18844 5607 1 16 . 1 1 4 4 PRO CA C 4 63.240 63.240 62.397 0.843 18844 5608 1 16 . 1 1 4 4 PRO CB C 4 32.070 32.070 32.897 -0.827 18844 5609 1 16 . 1 1 5 5 ILE N N 5 122.161 122.161 118.076 4.085 18844 5610 1 16 . 1 1 5 5 ILE HA H 5 4.359 4.359 4.849 -0.490 18844 5611 1 16 . 1 1 5 5 ILE CA C 5 60.833 60.833 60.447 0.386 18844 5612 1 16 . 1 1 5 5 ILE CB C 5 43.943 43.943 42.726 1.217 18844 5613 1 16 . 1 1 5 5 ILE H H 5 8.317 8.317 7.687 0.630 18844 5614 1 16 . 1 1 6 6 ILE N N 6 125.649 125.649 126.313 -0.664 18844 5615 1 16 . 1 1 6 6 ILE HA H 6 4.921 4.921 4.738 0.183 18844 5616 1 16 . 1 1 6 6 ILE CA C 6 59.865 59.865 60.895 -1.030 18844 5617 1 16 . 1 1 6 6 ILE CB C 6 40.264 40.264 40.370 -0.106 18844 5618 1 16 . 1 1 6 6 ILE H H 6 8.408 8.408 8.497 -0.089 18844 5619 1 16 . 1 1 7 7 VAL N N 7 125.741 125.741 126.976 -1.235 18844 5620 1 16 . 1 1 7 7 VAL HA H 7 4.930 4.930 4.736 0.194 18844 5621 1 16 . 1 1 7 7 VAL CA C 7 60.363 60.363 59.552 0.811 18844 5622 1 16 . 1 1 7 7 VAL CB C 7 34.759 34.759 35.007 -0.248 18844 5623 1 16 . 1 1 7 7 VAL H H 7 9.155 9.155 9.145 0.010 18844 5624 1 16 . 1 1 8 8 LYS N N 8 128.098 128.098 128.731 -0.633 18844 5625 1 16 . 1 1 8 8 LYS HA H 8 5.232 5.232 5.213 0.019 18844 5626 1 16 . 1 1 8 8 LYS CA C 8 55.275 55.275 54.748 0.527 18844 5627 1 16 . 1 1 8 8 LYS CB C 8 34.935 34.935 33.818 1.117 18844 5628 1 16 . 1 1 8 8 LYS H H 8 9.174 9.174 8.842 0.332 18844 5629 1 16 . 1 1 9 9 TRP N N 9 125.952 125.952 128.282 -2.330 18844 5630 1 16 . 1 1 9 9 TRP HA H 9 5.185 5.185 4.898 0.287 18844 5631 1 16 . 1 1 9 9 TRP CA C 9 57.734 57.734 56.831 0.903 18844 5632 1 16 . 1 1 9 9 TRP CB C 9 31.561 31.561 31.277 0.284 18844 5633 1 16 . 1 1 9 9 TRP H H 9 8.844 8.844 8.404 0.440 18844 5634 1 16 . 1 1 10 10 GLY N N 10 117.044 117.044 116.306 0.738 18844 5635 1 16 . 1 1 10 10 GLY CA C 10 47.101 47.101 45.193 1.908 18844 5636 1 16 . 1 1 10 10 GLY H H 10 8.683 8.683 8.603 0.080 18844 5637 1 16 . 1 1 11 11 GLY N N 11 109.364 109.364 110.248 -0.884 18844 5638 1 16 . 1 1 11 11 GLY CA C 11 45.460 45.460 45.392 0.068 18844 5639 1 16 . 1 1 11 11 GLY H H 11 8.600 8.600 8.151 0.449 18844 5640 1 16 . 1 1 12 12 GLN N N 12 119.388 119.388 118.837 0.551 18844 5641 1 16 . 1 1 12 12 GLN HA H 12 4.483 4.483 4.630 -0.147 18844 5642 1 16 . 1 1 12 12 GLN CA C 12 54.502 54.502 54.456 0.046 18844 5643 1 16 . 1 1 12 12 GLN CB C 12 32.178 32.178 32.057 0.121 18844 5644 1 16 . 1 1 12 12 GLN H H 12 7.865 7.865 7.868 -0.003 18844 5645 1 16 . 1 1 13 13 GLU N N 13 119.756 119.756 118.603 1.153 18844 5646 1 16 . 1 1 13 13 GLU HA H 13 4.880 4.880 4.833 0.047 18844 5647 1 16 . 1 1 13 13 GLU CA C 13 55.655 55.655 55.384 0.271 18844 5648 1 16 . 1 1 13 13 GLU CB C 13 32.306 32.306 32.560 -0.254 18844 5649 1 16 . 1 1 13 13 GLU H H 13 8.172 8.172 8.387 -0.215 18844 5650 1 16 . 1 1 14 14 TYR N N 14 122.812 122.812 122.089 0.723 18844 5651 1 16 . 1 1 14 14 TYR HA H 14 4.601 4.601 4.784 -0.183 18844 5652 1 16 . 1 1 14 14 TYR CA C 14 57.246 57.246 56.829 0.417 18844 5653 1 16 . 1 1 14 14 TYR CB C 14 40.544 40.544 41.046 -0.502 18844 5654 1 16 . 1 1 14 14 TYR H H 14 9.381 9.381 8.892 0.489 18844 5655 1 16 . 1 1 15 15 SER N N 15 118.339 118.339 120.750 -2.411 18844 5656 1 16 . 1 1 15 15 SER HA H 15 4.747 4.747 4.547 0.200 18844 5657 1 16 . 1 1 15 15 SER CA C 15 58.099 58.099 58.351 -0.252 18844 5658 1 16 . 1 1 15 15 SER CB C 15 63.394 63.394 63.795 -0.401 18844 5659 1 16 . 1 1 15 15 SER H H 15 8.802 8.802 8.679 0.123 18844 5660 1 16 . 1 1 16 16 VAL N N 16 128.611 128.611 125.709 2.902 18844 5661 1 16 . 1 1 16 16 VAL HA H 16 4.205 4.205 4.334 -0.129 18844 5662 1 16 . 1 1 16 16 VAL CA C 16 62.344 62.344 61.826 0.518 18844 5663 1 16 . 1 1 16 16 VAL CB C 16 32.528 32.528 32.872 -0.344 18844 5664 1 16 . 1 1 16 16 VAL H H 16 9.005 9.005 8.913 0.092 18844 5665 1 16 . 1 1 17 17 THR N N 17 116.170 116.170 117.538 -1.368 18844 5666 1 16 . 1 1 17 17 THR HA H 17 4.533 4.533 4.604 -0.071 18844 5667 1 16 . 1 1 17 17 THR CA C 17 62.331 62.331 61.882 0.449 18844 5668 1 16 . 1 1 17 17 THR CB C 17 70.040 70.040 68.567 1.474 18844 5669 1 16 . 1 1 17 17 THR H H 17 8.746 8.746 8.561 0.185 18844 5670 1 16 . 1 1 18 18 THR N N 18 107.517 107.517 115.962 -8.445 18844 5671 1 16 . 1 1 18 18 THR HA H 18 4.173 4.173 4.149 0.024 18844 5672 1 16 . 1 1 18 18 THR CA C 18 61.772 61.772 62.416 -0.644 18844 5673 1 16 . 1 1 18 18 THR CB C 18 69.121 69.121 68.900 0.221 18844 5674 1 16 . 1 1 18 18 THR H H 18 6.812 6.812 7.956 -1.144 18844 5675 1 16 . 1 1 19 19 LEU N N 19 123.019 123.019 122.997 0.022 18844 5676 1 16 . 1 1 19 19 LEU HA H 19 4.583 4.583 4.382 0.201 18844 5677 1 16 . 1 1 19 19 LEU CA C 19 54.180 54.180 54.321 -0.140 18844 5678 1 16 . 1 1 19 19 LEU CB C 19 42.711 42.711 43.049 -0.338 18844 5679 1 16 . 1 1 19 19 LEU H H 19 8.388 8.388 7.758 0.630 18844 5680 1 16 . 1 1 20 20 SER N N 20 117.870 117.870 115.495 2.375 18844 5681 1 16 . 1 1 20 20 SER HA H 20 4.863 4.863 4.898 -0.035 18844 5682 1 16 . 1 1 20 20 SER CA C 20 56.832 56.832 56.550 0.283 18844 5683 1 16 . 1 1 20 20 SER CB C 20 67.845 67.845 66.698 1.147 18844 5684 1 16 . 1 1 20 20 SER H H 20 9.714 9.714 8.835 0.879 18844 5685 1 16 . 1 1 21 21 GLU N N 21 116.130 116.130 121.873 -5.743 18844 5686 1 16 . 1 1 21 21 GLU HA H 21 3.740 3.740 3.974 -0.234 18844 5687 1 16 . 1 1 21 21 GLU CA C 21 59.134 59.134 59.685 -0.551 18844 5688 1 16 . 1 1 21 21 GLU CB C 21 30.854 30.854 29.422 1.432 18844 5689 1 16 . 1 1 21 21 GLU H H 21 8.491 8.491 8.971 -0.480 18844 5690 1 16 . 1 1 22 22 ASP N N 22 115.741 115.741 118.112 -2.371 18844 5691 1 16 . 1 1 22 22 ASP HA H 22 4.650 4.650 4.523 0.127 18844 5692 1 16 . 1 1 22 22 ASP CA C 22 55.156 55.156 56.207 -1.051 18844 5693 1 16 . 1 1 22 22 ASP CB C 22 42.579 42.579 41.053 1.526 18844 5694 1 16 . 1 1 22 22 ASP H H 22 7.936 7.936 8.503 -0.567 18844 5695 1 16 . 1 1 23 23 ASP N N 23 119.945 119.945 117.892 2.053 18844 5696 1 16 . 1 1 23 23 ASP HA H 23 4.841 4.841 4.757 0.084 18844 5697 1 16 . 1 1 23 23 ASP CA C 23 55.223 55.223 54.232 0.991 18844 5698 1 16 . 1 1 23 23 ASP CB C 23 42.782 42.782 42.286 0.496 18844 5699 1 16 . 1 1 23 23 ASP H H 23 7.313 7.313 7.988 -0.675 18844 5700 1 16 . 1 1 24 24 THR N N 24 107.918 107.918 108.630 -0.712 18844 5701 1 16 . 1 1 24 24 THR HA H 24 5.328 5.328 4.801 0.527 18844 5702 1 16 . 1 1 24 24 THR CA C 24 60.989 60.989 60.131 0.858 18844 5703 1 16 . 1 1 24 24 THR CB C 24 74.287 74.287 72.202 2.085 18844 5704 1 16 . 1 1 24 24 THR H H 24 9.630 9.630 7.853 1.777 18844 5705 1 16 . 1 1 25 25 VAL N N 25 120.192 120.192 121.213 -1.021 18844 5706 1 16 . 1 1 25 25 VAL HA H 25 3.334 3.334 3.740 -0.406 18844 5707 1 16 . 1 1 25 25 VAL CA C 25 67.626 67.626 67.032 0.594 18844 5708 1 16 . 1 1 25 25 VAL CB C 25 32.149 32.149 31.341 0.808 18844 5709 1 16 . 1 1 25 25 VAL H H 25 8.260 8.260 8.611 -0.351 18844 5710 1 16 . 1 1 26 26 LEU N N 26 119.941 119.941 117.979 1.962 18844 5711 1 16 . 1 1 26 26 LEU HA H 26 3.872 3.872 4.020 -0.148 18844 5712 1 16 . 1 1 26 26 LEU CA C 26 58.592 58.592 58.144 0.448 18844 5713 1 16 . 1 1 26 26 LEU CB C 26 41.716 41.716 41.156 0.560 18844 5714 1 16 . 1 1 26 26 LEU H H 26 8.523 8.523 7.380 1.143 18844 5715 1 16 . 1 1 27 27 ASP N N 27 118.322 118.322 118.777 -0.455 18844 5716 1 16 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.414 -0.141 18844 5717 1 16 . 1 1 27 27 ASP CA C 27 58.663 58.663 56.980 1.683 18844 5718 1 16 . 1 1 27 27 ASP CB C 27 40.931 40.931 40.567 0.364 18844 5719 1 16 . 1 1 27 27 ASP H H 27 7.581 7.581 8.315 -0.734 18844 5720 1 16 . 1 1 28 28 LEU N N 28 122.021 122.021 120.302 1.719 18844 5721 1 16 . 1 1 28 28 LEU HA H 28 4.083 4.083 4.211 -0.128 18844 5722 1 16 . 1 1 28 28 LEU CA C 28 58.772 58.772 57.566 1.206 18844 5723 1 16 . 1 1 28 28 LEU CB C 28 41.225 41.225 42.401 -1.176 18844 5724 1 16 . 1 1 28 28 LEU H H 28 7.837 7.837 7.387 0.450 18844 5725 1 16 . 1 1 29 29 LYS N N 29 119.086 119.086 119.943 -0.857 18844 5726 1 16 . 1 1 29 29 LYS HA H 29 4.520 4.520 3.925 0.595 18844 5727 1 16 . 1 1 29 29 LYS CA C 29 59.787 59.787 60.396 -0.609 18844 5728 1 16 . 1 1 29 29 LYS CB C 29 34.297 34.297 32.123 2.174 18844 5729 1 16 . 1 1 29 29 LYS H H 29 8.467 8.467 8.602 -0.135 18844 5730 1 16 . 1 1 30 30 GLN N N 30 119.268 119.268 118.086 1.182 18844 5731 1 16 . 1 1 30 30 GLN HA H 30 3.932 3.932 3.999 -0.067 18844 5732 1 16 . 1 1 30 30 GLN CA C 30 59.663 59.663 58.881 0.782 18844 5733 1 16 . 1 1 30 30 GLN CB C 30 27.806 27.806 27.934 -0.128 18844 5734 1 16 . 1 1 30 30 GLN H H 30 9.049 9.049 8.108 0.941 18844 5735 1 16 . 1 1 31 31 PHE N N 31 121.690 121.690 120.374 1.316 18844 5736 1 16 . 1 1 31 31 PHE HA H 31 4.218 4.218 4.286 -0.068 18844 5737 1 16 . 1 1 31 31 PHE CA C 31 61.967 61.967 60.763 1.204 18844 5738 1 16 . 1 1 31 31 PHE CB C 31 39.374 39.374 39.408 -0.034 18844 5739 1 16 . 1 1 31 31 PHE H H 31 8.039 8.039 7.455 0.584 18844 5740 1 16 . 1 1 32 32 LEU N N 32 118.232 118.232 118.049 0.183 18844 5741 1 16 . 1 1 32 32 LEU HA H 32 3.637 3.637 3.921 -0.283 18844 5742 1 16 . 1 1 32 32 LEU CA C 32 57.708 57.708 58.189 -0.481 18844 5743 1 16 . 1 1 32 32 LEU CB C 32 41.270 41.270 41.288 -0.019 18844 5744 1 16 . 1 1 32 32 LEU H H 32 8.776 8.776 8.439 0.337 18844 5745 1 16 . 1 1 33 33 LYS N N 33 125.920 125.920 118.905 7.015 18844 5746 1 16 . 1 1 33 33 LYS HA H 33 3.802 3.802 3.869 -0.067 18844 5747 1 16 . 1 1 33 33 LYS CA C 33 60.116 60.116 59.127 0.990 18844 5748 1 16 . 1 1 33 33 LYS CB C 33 31.701 31.701 31.500 0.201 18844 5749 1 16 . 1 1 33 33 LYS H H 33 8.237 8.237 8.460 -0.223 18844 5750 1 16 . 1 1 34 34 THR N N 34 114.544 114.544 112.024 2.520 18844 5751 1 16 . 1 1 34 34 THR HA H 34 3.773 3.773 4.064 -0.291 18844 5752 1 16 . 1 1 34 34 THR CA C 34 65.749 65.749 63.875 1.874 18844 5753 1 16 . 1 1 34 34 THR CB C 34 68.620 68.620 68.713 -0.093 18844 5754 1 16 . 1 1 34 34 THR H H 34 7.281 7.281 7.075 0.206 18844 5755 1 16 . 1 1 35 35 LEU N N 35 117.590 117.590 120.691 -3.101 18844 5756 1 16 . 1 1 35 35 LEU HA H 35 4.018 4.018 4.098 -0.080 18844 5757 1 16 . 1 1 35 35 LEU CA C 35 57.015 57.015 57.114 -0.099 18844 5758 1 16 . 1 1 35 35 LEU CB C 35 44.003 44.003 42.549 1.454 18844 5759 1 16 . 1 1 35 35 LEU H H 35 6.752 6.752 7.649 -0.897 18844 5760 1 16 . 1 1 36 36 THR N N 36 104.865 104.865 109.455 -4.590 18844 5761 1 16 . 1 1 36 36 THR HA H 36 3.967 3.967 4.312 -0.345 18844 5762 1 16 . 1 1 36 36 THR CA C 36 62.756 62.756 62.204 0.552 18844 5763 1 16 . 1 1 36 36 THR CB C 36 72.343 72.343 70.093 2.250 18844 5764 1 16 . 1 1 36 36 THR H H 36 7.675 7.675 7.618 0.057 18844 5765 1 16 . 1 1 37 37 GLY N N 37 109.795 109.795 109.679 0.116 18844 5766 1 16 . 1 1 37 37 GLY CA C 37 45.559 45.559 44.825 0.734 18844 5767 1 16 . 1 1 37 37 GLY H H 37 7.971 7.971 7.371 0.600 18844 5768 1 16 . 1 1 38 38 VAL N N 38 122.557 122.557 119.557 3.000 18844 5769 1 16 . 1 1 38 38 VAL HA H 38 3.638 3.638 4.028 -0.390 18844 5770 1 16 . 1 1 38 38 VAL CA C 38 62.437 62.437 59.765 2.672 18844 5771 1 16 . 1 1 38 38 VAL CB C 38 31.390 31.390 33.693 -2.303 18844 5772 1 16 . 1 1 38 38 VAL H H 38 7.533 7.533 7.110 0.423 18844 5773 1 16 . 1 1 39 39 LEU N N 39 127.828 127.828 123.705 4.123 18844 5774 1 16 . 1 1 39 39 LEU HA H 39 3.994 3.994 4.420 -0.426 18844 5775 1 16 . 1 1 39 39 LEU CA C 39 54.437 54.437 53.477 0.960 18844 5776 1 16 . 1 1 39 39 LEU CB C 39 40.557 40.557 40.304 0.252 18844 5777 1 16 . 1 1 39 39 LEU H H 39 8.634 8.634 8.239 0.395 18844 5778 1 16 . 1 1 40 40 PRO HA H 40 3.839 3.839 4.700 -0.861 18844 5779 1 16 . 1 1 40 40 PRO CA C 40 66.989 66.989 64.726 2.263 18844 5780 1 16 . 1 1 40 40 PRO CB C 40 32.322 32.322 31.970 0.352 18844 5781 1 16 . 1 1 41 41 GLU N N 41 114.752 114.752 118.007 -3.255 18844 5782 1 16 . 1 1 41 41 GLU HA H 41 4.071 4.071 4.072 -0.001 18844 5783 1 16 . 1 1 41 41 GLU CA C 41 58.938 58.938 58.586 0.352 18844 5784 1 16 . 1 1 41 41 GLU CB C 41 28.824 28.824 29.446 -0.622 18844 5785 1 16 . 1 1 41 41 GLU H H 41 9.746 9.746 8.660 1.086 18844 5786 1 16 . 1 1 42 42 ARG N N 42 118.145 118.145 115.854 2.291 18844 5787 1 16 . 1 1 42 42 ARG HA H 42 4.315 4.315 4.421 -0.106 18844 5788 1 16 . 1 1 42 42 ARG CA C 42 55.448 55.448 56.864 -1.415 18844 5789 1 16 . 1 1 42 42 ARG CB C 42 31.105 31.105 31.905 -0.800 18844 5790 1 16 . 1 1 42 42 ARG H H 42 7.938 7.938 7.534 0.404 18844 5791 1 16 . 1 1 43 43 GLN N N 43 118.250 118.250 118.302 -0.052 18844 5792 1 16 . 1 1 43 43 GLN HA H 43 4.251 4.251 4.733 -0.482 18844 5793 1 16 . 1 1 43 43 GLN CA C 43 56.537 56.537 54.567 1.970 18844 5794 1 16 . 1 1 43 43 GLN CB C 43 30.992 30.992 30.741 0.251 18844 5795 1 16 . 1 1 43 43 GLN H H 43 7.034 7.034 7.743 -0.709 18844 5796 1 16 . 1 1 44 44 LYS N N 44 122.693 122.693 119.411 3.282 18844 5797 1 16 . 1 1 44 44 LYS HA H 44 4.464 4.464 4.707 -0.243 18844 5798 1 16 . 1 1 44 44 LYS CA C 44 55.552 55.552 54.771 0.781 18844 5799 1 16 . 1 1 44 44 LYS CB C 44 34.325 34.325 34.742 -0.417 18844 5800 1 16 . 1 1 44 44 LYS H H 44 8.806 8.806 8.908 -0.102 18844 5801 1 16 . 1 1 45 45 LEU N N 45 124.806 124.806 124.031 0.775 18844 5802 1 16 . 1 1 45 45 LEU HA H 45 4.943 4.943 4.251 0.692 18844 5803 1 16 . 1 1 45 45 LEU CA C 45 53.542 53.542 55.174 -1.632 18844 5804 1 16 . 1 1 45 45 LEU CB C 45 41.821 41.821 40.857 0.964 18844 5805 1 16 . 1 1 45 45 LEU H H 45 8.704 8.704 8.606 0.098 18844 5806 1 16 . 1 1 46 46 LEU N N 46 124.709 124.709 126.154 -1.445 18844 5807 1 16 . 1 1 46 46 LEU HA H 46 4.358 4.358 4.356 0.002 18844 5808 1 16 . 1 1 46 46 LEU CA C 46 55.759 55.759 56.968 -1.209 18844 5809 1 16 . 1 1 46 46 LEU CB C 46 42.526 42.526 41.685 0.841 18844 5810 1 16 . 1 1 46 46 LEU H H 46 8.751 8.751 7.874 0.877 18844 5811 1 16 . 1 1 47 47 GLY N N 47 109.276 109.276 107.017 2.259 18844 5812 1 16 . 1 1 47 47 GLY CA C 47 45.560 45.560 44.699 0.862 18844 5813 1 16 . 1 1 47 47 GLY H H 47 8.300 8.300 8.383 -0.083 18844 5814 1 16 . 1 1 48 48 LEU N N 48 119.707 119.707 117.390 2.317 18844 5815 1 16 . 1 1 48 48 LEU HA H 48 4.590 4.590 4.181 0.409 18844 5816 1 16 . 1 1 48 48 LEU CA C 48 53.945 53.945 56.531 -2.586 18844 5817 1 16 . 1 1 48 48 LEU CB C 48 41.414 41.414 42.113 -0.699 18844 5818 1 16 . 1 1 48 48 LEU H H 48 7.581 7.581 7.404 0.177 18844 5819 1 16 . 1 1 49 49 LYS N N 49 124.527 124.527 117.519 7.008 18844 5820 1 16 . 1 1 49 49 LYS HA H 49 4.852 4.852 4.560 0.292 18844 5821 1 16 . 1 1 49 49 LYS CA C 49 55.663 55.663 54.901 0.762 18844 5822 1 16 . 1 1 49 49 LYS CB C 49 37.581 37.581 34.375 3.206 18844 5823 1 16 . 1 1 49 49 LYS H H 49 8.606 8.606 7.293 1.313 18844 5824 1 16 . 1 1 50 50 VAL N N 50 119.184 119.184 122.291 -3.107 18844 5825 1 16 . 1 1 50 50 VAL HA H 50 4.113 4.113 4.285 -0.172 18844 5826 1 16 . 1 1 50 50 VAL CA C 50 61.865 61.865 60.245 1.619 18844 5827 1 16 . 1 1 50 50 VAL CB C 50 34.734 34.734 35.120 -0.386 18844 5828 1 16 . 1 1 50 50 VAL H H 50 8.799 8.799 8.756 0.043 18844 5829 1 16 . 1 1 51 51 LYS N N 51 127.069 127.069 127.324 -0.255 18844 5830 1 16 . 1 1 51 51 LYS HA H 51 3.824 3.824 4.000 -0.176 18844 5831 1 16 . 1 1 51 51 LYS CA C 51 57.407 57.407 56.820 0.587 18844 5832 1 16 . 1 1 51 51 LYS CB C 51 30.655 30.655 30.398 0.257 18844 5833 1 16 . 1 1 51 51 LYS H H 51 9.451 9.451 9.065 0.386 18844 5834 1 16 . 1 1 52 52 GLY N N 52 102.671 102.671 103.354 -0.683 18844 5835 1 16 . 1 1 52 52 GLY CA C 52 45.810 45.810 45.095 0.715 18844 5836 1 16 . 1 1 52 52 GLY H H 52 8.512 8.512 8.205 0.307 18844 5837 1 16 . 1 1 53 53 LYS N N 53 121.307 121.307 122.045 -0.738 18844 5838 1 16 . 1 1 53 53 LYS HA H 53 4.829 4.829 4.659 0.170 18844 5839 1 16 . 1 1 53 53 LYS CA C 53 53.616 53.616 52.989 0.627 18844 5840 1 16 . 1 1 53 53 LYS CB C 53 33.940 33.940 32.650 1.290 18844 5841 1 16 . 1 1 53 53 LYS H H 53 7.781 7.781 7.819 -0.038 18844 5842 1 16 . 1 1 54 54 PRO HA H 54 4.376 4.376 4.216 0.160 18844 5843 1 16 . 1 1 54 54 PRO CA C 54 63.817 63.817 64.291 -0.474 18844 5844 1 16 . 1 1 54 54 PRO CB C 54 32.151 32.151 31.845 0.306 18844 5845 1 16 . 1 1 55 55 ALA N N 55 125.654 125.654 118.585 7.069 18844 5846 1 16 . 1 1 55 55 ALA HA H 55 4.138 4.138 3.933 0.205 18844 5847 1 16 . 1 1 55 55 ALA CA C 55 52.664 52.664 52.930 -0.266 18844 5848 1 16 . 1 1 55 55 ALA CB C 55 20.044 20.044 17.895 2.149 18844 5849 1 16 . 1 1 55 55 ALA H H 55 8.114 8.114 8.102 0.012 18844 5850 1 16 . 1 1 56 56 GLU N N 56 122.313 122.313 118.204 4.109 18844 5851 1 16 . 1 1 56 56 GLU HA H 56 4.215 4.215 4.045 0.170 18844 5852 1 16 . 1 1 56 56 GLU CA C 56 56.089 56.089 59.279 -3.191 18844 5853 1 16 . 1 1 56 56 GLU CB C 56 31.086 31.086 30.198 0.888 18844 5854 1 16 . 1 1 56 56 GLU H H 56 8.179 8.179 8.622 -0.443 18844 5855 1 16 . 1 1 57 57 ASN N N 57 115.140 115.140 110.214 4.926 18844 5856 1 16 . 1 1 57 57 ASN HA H 57 4.229 4.229 4.685 -0.456 18844 5857 1 16 . 1 1 57 57 ASN CA C 57 55.199 55.199 53.941 1.258 18844 5858 1 16 . 1 1 57 57 ASN CB C 57 39.227 39.227 38.554 0.673 18844 5859 1 16 . 1 1 57 57 ASN H H 57 8.504 8.504 7.948 0.556 18844 5860 1 16 . 1 1 58 58 ASP N N 58 112.832 112.832 120.005 -7.173 18844 5861 1 16 . 1 1 58 58 ASP HA H 58 4.488 4.488 4.530 -0.042 18844 5862 1 16 . 1 1 58 58 ASP CA C 58 53.608 53.608 54.149 -0.541 18844 5863 1 16 . 1 1 58 58 ASP CB C 58 40.304 40.304 40.776 -0.472 18844 5864 1 16 . 1 1 58 58 ASP H H 58 8.198 8.198 8.551 -0.353 18844 5865 1 16 . 1 1 59 59 VAL N N 59 122.073 122.073 118.485 3.588 18844 5866 1 16 . 1 1 59 59 VAL HA H 59 3.593 3.593 4.119 -0.526 18844 5867 1 16 . 1 1 59 59 VAL CA C 59 63.840 63.840 61.266 2.574 18844 5868 1 16 . 1 1 59 59 VAL CB C 59 32.322 32.322 33.274 -0.952 18844 5869 1 16 . 1 1 59 59 VAL H H 59 7.353 7.353 7.432 -0.079 18844 5870 1 16 . 1 1 60 60 LYS N N 60 125.064 125.064 123.380 1.684 18844 5871 1 16 . 1 1 60 60 LYS HA H 60 4.447 4.447 4.502 -0.055 18844 5872 1 16 . 1 1 60 60 LYS CA C 60 56.185 56.185 55.500 0.685 18844 5873 1 16 . 1 1 60 60 LYS CB C 60 33.105 33.105 33.643 -0.538 18844 5874 1 16 . 1 1 60 60 LYS H H 60 8.339 8.339 8.347 -0.008 18844 5875 1 16 . 1 1 61 61 LEU N N 61 121.612 121.612 122.741 -1.129 18844 5876 1 16 . 1 1 61 61 LEU HA H 61 3.776 3.776 3.993 -0.217 18844 5877 1 16 . 1 1 61 61 LEU CA C 61 57.987 57.987 57.947 0.040 18844 5878 1 16 . 1 1 61 61 LEU CB C 61 40.832 40.832 41.716 -0.884 18844 5879 1 16 . 1 1 61 61 LEU H H 61 9.423 9.423 8.894 0.529 18844 5880 1 16 . 1 1 62 62 GLY N N 62 104.008 104.008 103.355 0.653 18844 5881 1 16 . 1 1 62 62 GLY CA C 62 46.772 46.772 45.685 1.087 18844 5882 1 16 . 1 1 62 62 GLY H H 62 9.107 9.107 7.970 1.137 18844 5883 1 16 . 1 1 63 63 ALA N N 63 122.025 122.025 122.468 -0.443 18844 5884 1 16 . 1 1 63 63 ALA HA H 63 4.273 4.273 4.432 -0.159 18844 5885 1 16 . 1 1 63 63 ALA CA C 63 53.421 53.421 53.239 0.183 18844 5886 1 16 . 1 1 63 63 ALA CB C 63 18.816 18.816 18.945 -0.129 18844 5887 1 16 . 1 1 63 63 ALA H H 63 7.755 7.755 7.633 0.122 18844 5888 1 16 . 1 1 64 64 LEU N N 64 115.454 115.454 115.496 -0.042 18844 5889 1 16 . 1 1 64 64 LEU HA H 64 4.068 4.068 4.262 -0.194 18844 5890 1 16 . 1 1 64 64 LEU CA C 64 55.567 55.567 54.983 0.584 18844 5891 1 16 . 1 1 64 64 LEU CB C 64 42.136 42.136 42.274 -0.138 18844 5892 1 16 . 1 1 64 64 LEU H H 64 7.214 7.214 7.294 -0.080 18844 5893 1 16 . 1 1 65 65 LYS N N 65 114.830 114.830 114.697 0.133 18844 5894 1 16 . 1 1 65 65 LYS HA H 65 3.838 3.838 3.884 -0.046 18844 5895 1 16 . 1 1 65 65 LYS CA C 65 56.737 56.737 56.599 0.138 18844 5896 1 16 . 1 1 65 65 LYS CB C 65 29.307 29.307 29.274 0.033 18844 5897 1 16 . 1 1 65 65 LYS H H 65 7.642 7.642 7.720 -0.078 18844 5898 1 16 . 1 1 66 66 LEU N N 66 119.305 119.305 119.649 -0.344 18844 5899 1 16 . 1 1 66 66 LEU HA H 66 4.163 4.163 4.350 -0.187 18844 5900 1 16 . 1 1 66 66 LEU CA C 66 54.847 54.847 54.387 0.460 18844 5901 1 16 . 1 1 66 66 LEU CB C 66 42.712 42.712 43.208 -0.496 18844 5902 1 16 . 1 1 66 66 LEU H H 66 8.516 8.516 7.783 0.733 18844 5903 1 16 . 1 1 67 67 LYS N N 67 121.480 121.480 123.313 -1.833 18844 5904 1 16 . 1 1 67 67 LYS HA H 67 4.497 4.497 4.424 0.073 18844 5905 1 16 . 1 1 67 67 LYS CA C 67 54.152 54.152 54.927 -0.775 18844 5906 1 16 . 1 1 67 67 LYS CB C 67 31.999 31.999 31.862 0.137 18844 5907 1 16 . 1 1 67 67 LYS H H 67 7.955 7.955 8.169 -0.214 18844 5908 1 16 . 1 1 68 68 PRO HA H 68 4.169 4.169 4.720 -0.551 18844 5909 1 16 . 1 1 68 68 PRO CA C 68 64.389 64.389 65.059 -0.670 18844 5910 1 16 . 1 1 68 68 PRO CB C 68 32.214 32.214 32.376 -0.162 18844 5911 1 16 . 1 1 69 69 ASN N N 69 115.414 115.414 116.348 -0.934 18844 5912 1 16 . 1 1 69 69 ASN HA H 69 3.962 3.962 4.649 -0.687 18844 5913 1 16 . 1 1 69 69 ASN CA C 69 55.021 55.021 53.766 1.255 18844 5914 1 16 . 1 1 69 69 ASN CB C 69 37.047 37.047 37.926 -0.879 18844 5915 1 16 . 1 1 69 69 ASN H H 69 8.966 8.966 8.357 0.609 18844 5916 1 16 . 1 1 70 70 THR N N 70 115.426 115.426 117.426 -2.000 18844 5917 1 16 . 1 1 70 70 THR HA H 70 3.949 3.949 4.115 -0.166 18844 5918 1 16 . 1 1 70 70 THR CA C 70 65.247 65.247 64.052 1.195 18844 5919 1 16 . 1 1 70 70 THR CB C 70 70.132 70.132 69.558 0.574 18844 5920 1 16 . 1 1 70 70 THR H H 70 7.712 7.712 7.706 0.006 18844 5921 1 16 . 1 1 71 71 LYS N N 71 124.603 124.603 125.677 -1.074 18844 5922 1 16 . 1 1 71 71 LYS HA H 71 5.179 5.179 4.997 0.182 18844 5923 1 16 . 1 1 71 71 LYS CA C 71 55.340 55.340 55.444 -0.103 18844 5924 1 16 . 1 1 71 71 LYS CB C 71 33.729 33.729 33.934 -0.205 18844 5925 1 16 . 1 1 71 71 LYS H H 71 8.284 8.284 8.267 0.017 18844 5926 1 16 . 1 1 72 72 ILE N N 72 123.505 123.505 123.687 -0.182 18844 5927 1 16 . 1 1 72 72 ILE HA H 72 4.511 4.511 4.387 0.124 18844 5928 1 16 . 1 1 72 72 ILE CA C 72 59.636 59.636 59.245 0.391 18844 5929 1 16 . 1 1 72 72 ILE CB C 72 40.827 40.827 39.509 1.318 18844 5930 1 16 . 1 1 72 72 ILE H H 72 9.142 9.142 8.463 0.679 18844 5931 1 16 . 1 1 73 73 MET N N 73 123.090 123.090 125.679 -2.589 18844 5932 1 16 . 1 1 73 73 MET HA H 73 5.122 5.122 5.152 -0.030 18844 5933 1 16 . 1 1 73 73 MET CA C 73 54.949 54.949 55.072 -0.123 18844 5934 1 16 . 1 1 73 73 MET CB C 73 35.143 35.143 35.141 0.002 18844 5935 1 16 . 1 1 73 73 MET H H 73 8.556 8.556 8.870 -0.314 18844 5936 1 16 . 1 1 74 74 MET N N 74 124.481 124.481 121.160 3.321 18844 5937 1 16 . 1 1 74 74 MET HA H 74 5.288 5.288 4.834 0.454 18844 5938 1 16 . 1 1 74 74 MET CA C 74 54.862 54.862 54.945 -0.083 18844 5939 1 16 . 1 1 74 74 MET CB C 74 36.294 36.294 35.883 0.411 18844 5940 1 16 . 1 1 74 74 MET H H 74 8.924 8.924 8.746 0.178 18844 5941 1 16 . 1 1 75 75 MET N N 75 123.963 123.963 122.989 0.974 18844 5942 1 16 . 1 1 75 75 MET HA H 75 5.093 5.093 5.039 0.054 18844 5943 1 16 . 1 1 75 75 MET CA C 75 54.265 54.265 54.244 0.021 18844 5944 1 16 . 1 1 75 75 MET CB C 75 35.566 35.566 34.774 0.792 18844 5945 1 16 . 1 1 75 75 MET H H 75 9.112 9.112 8.319 0.793 18844 5946 1 16 . 1 1 76 76 GLY N N 76 109.773 109.773 110.658 -0.885 18844 5947 1 16 . 1 1 76 76 GLY CA C 76 45.901 45.901 45.102 0.799 18844 5948 1 16 . 1 1 76 76 GLY H H 76 8.711 8.711 8.760 -0.049 18844 5949 1 16 . 1 1 77 77 THR N N 77 113.345 113.345 115.670 -2.325 18844 5950 1 16 . 1 1 77 77 THR HA H 77 4.787 4.787 4.684 0.103 18844 5951 1 16 . 1 1 77 77 THR CA C 77 60.728 60.728 60.339 0.389 18844 5952 1 16 . 1 1 77 77 THR CB C 77 71.481 71.481 70.006 1.475 18844 5953 1 16 . 1 1 77 77 THR H H 77 8.280 8.280 8.230 0.050 18844 5954 1 16 . 1 1 78 78 ARG N N 78 122.844 122.844 127.293 -4.449 18844 5955 1 16 . 1 1 78 78 ARG HA H 78 4.148 4.148 4.503 -0.355 18844 5956 1 16 . 1 1 78 78 ARG CA C 78 56.881 56.881 55.147 1.734 18844 5957 1 16 . 1 1 78 78 ARG CB C 78 31.607 31.607 31.295 0.312 18844 5958 1 16 . 1 1 78 78 ARG H H 78 8.852 8.852 8.370 0.482 18844 5959 1 16 . 1 1 79 79 GLU N N 79 122.181 122.181 122.243 -0.062 18844 5960 1 16 . 1 1 79 79 GLU HA H 79 4.206 4.206 4.193 0.013 18844 5961 1 16 . 1 1 79 79 GLU CA C 79 57.007 57.007 56.395 0.612 18844 5962 1 16 . 1 1 79 79 GLU CB C 79 30.764 30.764 30.093 0.671 18844 5963 1 16 . 1 1 79 79 GLU H H 79 8.300 8.300 8.485 -0.185 18844 5964 1 16 . 1 1 80 80 GLU N N 80 126.965 126.965 120.335 6.630 18844 5965 1 16 . 1 1 80 80 GLU HA H 80 4.049 4.049 4.443 -0.394 18844 5966 1 16 . 1 1 80 80 GLU CA C 80 58.328 58.328 56.287 2.041 18844 5967 1 16 . 1 1 80 80 GLU CB C 80 31.287 31.287 29.119 2.168 18844 5968 1 16 . 1 1 80 80 GLU H H 80 8.015 8.015 8.657 -0.642 18844 5969 1 17 . 1 1 2 2 ALA N N 2 126.014 126.014 123.932 2.082 18844 5970 1 17 . 1 1 2 2 ALA HA H 2 4.033 4.033 4.463 -0.430 18844 5971 1 17 . 1 1 2 2 ALA CA C 2 53.215 53.215 51.860 1.355 18844 5972 1 17 . 1 1 2 2 ALA CB C 2 19.376 19.376 19.381 -0.005 18844 5973 1 17 . 1 1 2 2 ALA H H 2 8.410 8.410 8.195 0.215 18844 5974 1 17 . 1 1 3 3 LEU N N 3 123.255 123.255 124.717 -1.462 18844 5975 1 17 . 1 1 3 3 LEU HA H 3 4.646 4.646 4.732 -0.086 18844 5976 1 17 . 1 1 3 3 LEU CA C 3 51.817 51.817 51.510 0.307 18844 5977 1 17 . 1 1 3 3 LEU CB C 3 43.557 43.557 43.479 0.078 18844 5978 1 17 . 1 1 3 3 LEU H H 3 8.271 8.271 8.236 0.035 18844 5979 1 17 . 1 1 4 4 PRO HA H 4 4.606 4.606 4.629 -0.023 18844 5980 1 17 . 1 1 4 4 PRO CA C 4 63.240 63.240 62.390 0.850 18844 5981 1 17 . 1 1 4 4 PRO CB C 4 32.070 32.070 32.968 -0.898 18844 5982 1 17 . 1 1 5 5 ILE N N 5 122.161 122.161 118.200 3.961 18844 5983 1 17 . 1 1 5 5 ILE HA H 5 4.359 4.359 4.830 -0.471 18844 5984 1 17 . 1 1 5 5 ILE CA C 5 60.833 60.833 60.523 0.310 18844 5985 1 17 . 1 1 5 5 ILE CB C 5 43.943 43.943 42.667 1.276 18844 5986 1 17 . 1 1 5 5 ILE H H 5 8.317 8.317 7.710 0.607 18844 5987 1 17 . 1 1 6 6 ILE N N 6 125.649 125.649 126.184 -0.535 18844 5988 1 17 . 1 1 6 6 ILE HA H 6 4.921 4.921 4.779 0.142 18844 5989 1 17 . 1 1 6 6 ILE CA C 6 59.865 59.865 60.630 -0.765 18844 5990 1 17 . 1 1 6 6 ILE CB C 6 40.264 40.264 40.255 0.009 18844 5991 1 17 . 1 1 6 6 ILE H H 6 8.408 8.408 8.600 -0.192 18844 5992 1 17 . 1 1 7 7 VAL N N 7 125.741 125.741 126.118 -0.377 18844 5993 1 17 . 1 1 7 7 VAL HA H 7 4.930 4.930 4.739 0.191 18844 5994 1 17 . 1 1 7 7 VAL CA C 7 60.363 60.363 60.207 0.156 18844 5995 1 17 . 1 1 7 7 VAL CB C 7 34.759 34.759 34.430 0.329 18844 5996 1 17 . 1 1 7 7 VAL H H 7 9.155 9.155 9.150 0.005 18844 5997 1 17 . 1 1 8 8 LYS N N 8 128.098 128.098 128.502 -0.404 18844 5998 1 17 . 1 1 8 8 LYS HA H 8 5.232 5.232 5.211 0.021 18844 5999 1 17 . 1 1 8 8 LYS CA C 8 55.275 55.275 54.767 0.508 18844 6000 1 17 . 1 1 8 8 LYS CB C 8 34.935 34.935 33.759 1.176 18844 6001 1 17 . 1 1 8 8 LYS H H 8 9.174 9.174 8.888 0.286 18844 6002 1 17 . 1 1 9 9 TRP N N 9 125.952 125.952 128.525 -2.573 18844 6003 1 17 . 1 1 9 9 TRP HA H 9 5.185 5.185 4.901 0.284 18844 6004 1 17 . 1 1 9 9 TRP CA C 9 57.734 57.734 56.841 0.893 18844 6005 1 17 . 1 1 9 9 TRP CB C 9 31.561 31.561 31.189 0.372 18844 6006 1 17 . 1 1 9 9 TRP H H 9 8.844 8.844 8.396 0.448 18844 6007 1 17 . 1 1 10 10 GLY N N 10 117.044 117.044 116.385 0.659 18844 6008 1 17 . 1 1 10 10 GLY CA C 10 47.101 47.101 44.925 2.175 18844 6009 1 17 . 1 1 10 10 GLY H H 10 8.683 8.683 8.477 0.206 18844 6010 1 17 . 1 1 11 11 GLY N N 11 109.364 109.364 109.571 -0.207 18844 6011 1 17 . 1 1 11 11 GLY CA C 11 45.460 45.460 45.341 0.119 18844 6012 1 17 . 1 1 11 11 GLY H H 11 8.600 8.600 8.134 0.466 18844 6013 1 17 . 1 1 12 12 GLN N N 12 119.388 119.388 118.860 0.528 18844 6014 1 17 . 1 1 12 12 GLN HA H 12 4.483 4.483 4.613 -0.130 18844 6015 1 17 . 1 1 12 12 GLN CA C 12 54.502 54.502 54.582 -0.080 18844 6016 1 17 . 1 1 12 12 GLN CB C 12 32.178 32.178 32.139 0.039 18844 6017 1 17 . 1 1 12 12 GLN H H 12 7.865 7.865 7.876 -0.011 18844 6018 1 17 . 1 1 13 13 GLU N N 13 119.756 119.756 118.534 1.222 18844 6019 1 17 . 1 1 13 13 GLU HA H 13 4.880 4.880 4.861 0.019 18844 6020 1 17 . 1 1 13 13 GLU CA C 13 55.655 55.655 55.305 0.350 18844 6021 1 17 . 1 1 13 13 GLU CB C 13 32.306 32.306 32.550 -0.244 18844 6022 1 17 . 1 1 13 13 GLU H H 13 8.172 8.172 8.372 -0.200 18844 6023 1 17 . 1 1 14 14 TYR N N 14 122.812 122.812 121.957 0.855 18844 6024 1 17 . 1 1 14 14 TYR HA H 14 4.601 4.601 4.789 -0.188 18844 6025 1 17 . 1 1 14 14 TYR CA C 14 57.246 57.246 56.866 0.380 18844 6026 1 17 . 1 1 14 14 TYR CB C 14 40.544 40.544 41.282 -0.739 18844 6027 1 17 . 1 1 14 14 TYR H H 14 9.381 9.381 8.819 0.562 18844 6028 1 17 . 1 1 15 15 SER N N 15 118.339 118.339 119.293 -0.954 18844 6029 1 17 . 1 1 15 15 SER HA H 15 4.747 4.747 4.582 0.165 18844 6030 1 17 . 1 1 15 15 SER CA C 15 58.099 58.099 58.037 0.062 18844 6031 1 17 . 1 1 15 15 SER CB C 15 63.394 63.394 63.823 -0.429 18844 6032 1 17 . 1 1 15 15 SER H H 15 8.802 8.802 8.662 0.140 18844 6033 1 17 . 1 1 16 16 VAL N N 16 128.611 128.611 124.493 4.118 18844 6034 1 17 . 1 1 16 16 VAL HA H 16 4.205 4.205 4.363 -0.158 18844 6035 1 17 . 1 1 16 16 VAL CA C 16 62.344 62.344 62.306 0.038 18844 6036 1 17 . 1 1 16 16 VAL CB C 16 32.528 32.528 32.520 0.008 18844 6037 1 17 . 1 1 16 16 VAL H H 16 9.005 9.005 8.881 0.124 18844 6038 1 17 . 1 1 17 17 THR N N 17 116.170 116.170 118.618 -2.448 18844 6039 1 17 . 1 1 17 17 THR HA H 17 4.533 4.533 4.651 -0.118 18844 6040 1 17 . 1 1 17 17 THR CA C 17 62.331 62.331 61.828 0.503 18844 6041 1 17 . 1 1 17 17 THR CB C 17 70.040 70.040 69.124 0.916 18844 6042 1 17 . 1 1 17 17 THR H H 17 8.746 8.746 8.644 0.102 18844 6043 1 17 . 1 1 18 18 THR N N 18 107.517 107.517 116.496 -8.979 18844 6044 1 17 . 1 1 18 18 THR HA H 18 4.173 4.173 4.152 0.021 18844 6045 1 17 . 1 1 18 18 THR CA C 18 61.772 61.772 62.586 -0.814 18844 6046 1 17 . 1 1 18 18 THR CB C 18 69.121 69.121 69.080 0.041 18844 6047 1 17 . 1 1 18 18 THR H H 18 6.812 6.812 8.321 -1.509 18844 6048 1 17 . 1 1 19 19 LEU N N 19 123.019 123.019 123.367 -0.348 18844 6049 1 17 . 1 1 19 19 LEU HA H 19 4.583 4.583 4.337 0.246 18844 6050 1 17 . 1 1 19 19 LEU CA C 19 54.180 54.180 54.334 -0.154 18844 6051 1 17 . 1 1 19 19 LEU CB C 19 42.711 42.711 42.922 -0.211 18844 6052 1 17 . 1 1 19 19 LEU H H 19 8.388 8.388 7.847 0.541 18844 6053 1 17 . 1 1 20 20 SER N N 20 117.870 117.870 115.200 2.670 18844 6054 1 17 . 1 1 20 20 SER HA H 20 4.863 4.863 4.834 0.029 18844 6055 1 17 . 1 1 20 20 SER CA C 20 56.832 56.832 56.991 -0.159 18844 6056 1 17 . 1 1 20 20 SER CB C 20 67.845 67.845 66.594 1.251 18844 6057 1 17 . 1 1 20 20 SER H H 20 9.714 9.714 8.748 0.966 18844 6058 1 17 . 1 1 21 21 GLU N N 21 116.130 116.130 122.011 -5.881 18844 6059 1 17 . 1 1 21 21 GLU HA H 21 3.740 3.740 3.946 -0.206 18844 6060 1 17 . 1 1 21 21 GLU CA C 21 59.134 59.134 60.045 -0.911 18844 6061 1 17 . 1 1 21 21 GLU CB C 21 30.854 30.854 29.280 1.574 18844 6062 1 17 . 1 1 21 21 GLU H H 21 8.491 8.491 8.811 -0.320 18844 6063 1 17 . 1 1 22 22 ASP N N 22 115.741 115.741 117.869 -2.128 18844 6064 1 17 . 1 1 22 22 ASP HA H 22 4.650 4.650 4.466 0.184 18844 6065 1 17 . 1 1 22 22 ASP CA C 22 55.156 55.156 55.669 -0.513 18844 6066 1 17 . 1 1 22 22 ASP CB C 22 42.579 42.579 40.758 1.821 18844 6067 1 17 . 1 1 22 22 ASP H H 22 7.936 7.936 8.362 -0.426 18844 6068 1 17 . 1 1 23 23 ASP N N 23 119.945 119.945 118.797 1.148 18844 6069 1 17 . 1 1 23 23 ASP HA H 23 4.841 4.841 4.789 0.052 18844 6070 1 17 . 1 1 23 23 ASP CA C 23 55.223 55.223 53.972 1.251 18844 6071 1 17 . 1 1 23 23 ASP CB C 23 42.782 42.782 42.212 0.570 18844 6072 1 17 . 1 1 23 23 ASP H H 23 7.313 7.313 8.194 -0.881 18844 6073 1 17 . 1 1 24 24 THR N N 24 107.918 107.918 109.308 -1.390 18844 6074 1 17 . 1 1 24 24 THR HA H 24 5.328 5.328 4.835 0.493 18844 6075 1 17 . 1 1 24 24 THR CA C 24 60.989 60.989 60.269 0.720 18844 6076 1 17 . 1 1 24 24 THR CB C 24 74.287 74.287 71.743 2.544 18844 6077 1 17 . 1 1 24 24 THR H H 24 9.630 9.630 7.844 1.786 18844 6078 1 17 . 1 1 25 25 VAL N N 25 120.192 120.192 121.346 -1.154 18844 6079 1 17 . 1 1 25 25 VAL HA H 25 3.334 3.334 3.739 -0.405 18844 6080 1 17 . 1 1 25 25 VAL CA C 25 67.626 67.626 67.209 0.417 18844 6081 1 17 . 1 1 25 25 VAL CB C 25 32.149 32.149 31.631 0.518 18844 6082 1 17 . 1 1 25 25 VAL H H 25 8.260 8.260 8.430 -0.170 18844 6083 1 17 . 1 1 26 26 LEU N N 26 119.941 119.941 118.459 1.482 18844 6084 1 17 . 1 1 26 26 LEU HA H 26 3.872 3.872 3.997 -0.125 18844 6085 1 17 . 1 1 26 26 LEU CA C 26 58.592 58.592 58.206 0.386 18844 6086 1 17 . 1 1 26 26 LEU CB C 26 41.716 41.716 41.205 0.512 18844 6087 1 17 . 1 1 26 26 LEU H H 26 8.523 8.523 7.312 1.211 18844 6088 1 17 . 1 1 27 27 ASP N N 27 118.322 118.322 118.819 -0.497 18844 6089 1 17 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.413 -0.140 18844 6090 1 17 . 1 1 27 27 ASP CA C 27 58.663 58.663 56.983 1.680 18844 6091 1 17 . 1 1 27 27 ASP CB C 27 40.931 40.931 40.555 0.376 18844 6092 1 17 . 1 1 27 27 ASP H H 27 7.581 7.581 8.333 -0.752 18844 6093 1 17 . 1 1 28 28 LEU N N 28 122.021 122.021 120.270 1.751 18844 6094 1 17 . 1 1 28 28 LEU HA H 28 4.083 4.083 4.219 -0.136 18844 6095 1 17 . 1 1 28 28 LEU CA C 28 58.772 58.772 57.555 1.217 18844 6096 1 17 . 1 1 28 28 LEU CB C 28 41.225 41.225 42.403 -1.178 18844 6097 1 17 . 1 1 28 28 LEU H H 28 7.837 7.837 7.358 0.479 18844 6098 1 17 . 1 1 29 29 LYS N N 29 119.086 119.086 119.726 -0.640 18844 6099 1 17 . 1 1 29 29 LYS HA H 29 4.520 4.520 3.942 0.578 18844 6100 1 17 . 1 1 29 29 LYS CA C 29 59.787 59.787 60.704 -0.917 18844 6101 1 17 . 1 1 29 29 LYS CB C 29 34.297 34.297 32.195 2.102 18844 6102 1 17 . 1 1 29 29 LYS H H 29 8.467 8.467 8.622 -0.155 18844 6103 1 17 . 1 1 30 30 GLN N N 30 119.268 119.268 118.057 1.211 18844 6104 1 17 . 1 1 30 30 GLN HA H 30 3.932 3.932 4.032 -0.100 18844 6105 1 17 . 1 1 30 30 GLN CA C 30 59.663 59.663 58.670 0.993 18844 6106 1 17 . 1 1 30 30 GLN CB C 30 27.806 27.806 28.007 -0.201 18844 6107 1 17 . 1 1 30 30 GLN H H 30 9.049 9.049 8.045 1.004 18844 6108 1 17 . 1 1 31 31 PHE N N 31 121.690 121.690 120.283 1.407 18844 6109 1 17 . 1 1 31 31 PHE HA H 31 4.218 4.218 4.301 -0.083 18844 6110 1 17 . 1 1 31 31 PHE CA C 31 61.967 61.967 60.471 1.496 18844 6111 1 17 . 1 1 31 31 PHE CB C 31 39.374 39.374 39.612 -0.238 18844 6112 1 17 . 1 1 31 31 PHE H H 31 8.039 8.039 7.431 0.608 18844 6113 1 17 . 1 1 32 32 LEU N N 32 118.232 118.232 118.027 0.205 18844 6114 1 17 . 1 1 32 32 LEU HA H 32 3.637 3.637 3.877 -0.240 18844 6115 1 17 . 1 1 32 32 LEU CA C 32 57.708 57.708 58.138 -0.430 18844 6116 1 17 . 1 1 32 32 LEU CB C 32 41.270 41.270 41.271 -0.001 18844 6117 1 17 . 1 1 32 32 LEU H H 32 8.776 8.776 8.400 0.376 18844 6118 1 17 . 1 1 33 33 LYS N N 33 125.920 125.920 118.839 7.081 18844 6119 1 17 . 1 1 33 33 LYS HA H 33 3.802 3.802 3.788 0.014 18844 6120 1 17 . 1 1 33 33 LYS CA C 33 60.116 60.116 59.111 1.005 18844 6121 1 17 . 1 1 33 33 LYS CB C 33 31.701 31.701 31.473 0.228 18844 6122 1 17 . 1 1 33 33 LYS H H 33 8.237 8.237 8.462 -0.225 18844 6123 1 17 . 1 1 34 34 THR N N 34 114.544 114.544 112.052 2.492 18844 6124 1 17 . 1 1 34 34 THR HA H 34 3.773 3.773 4.057 -0.284 18844 6125 1 17 . 1 1 34 34 THR CA C 34 65.749 65.749 63.851 1.898 18844 6126 1 17 . 1 1 34 34 THR CB C 34 68.620 68.620 68.723 -0.103 18844 6127 1 17 . 1 1 34 34 THR H H 34 7.281 7.281 7.061 0.220 18844 6128 1 17 . 1 1 35 35 LEU N N 35 117.590 117.590 120.692 -3.102 18844 6129 1 17 . 1 1 35 35 LEU HA H 35 4.018 4.018 4.094 -0.076 18844 6130 1 17 . 1 1 35 35 LEU CA C 35 57.015 57.015 57.097 -0.082 18844 6131 1 17 . 1 1 35 35 LEU CB C 35 44.003 44.003 42.537 1.466 18844 6132 1 17 . 1 1 35 35 LEU H H 35 6.752 6.752 7.633 -0.881 18844 6133 1 17 . 1 1 36 36 THR N N 36 104.865 104.865 110.030 -5.165 18844 6134 1 17 . 1 1 36 36 THR HA H 36 3.967 3.967 4.304 -0.337 18844 6135 1 17 . 1 1 36 36 THR CA C 36 62.756 62.756 62.215 0.541 18844 6136 1 17 . 1 1 36 36 THR CB C 36 72.343 72.343 70.160 2.183 18844 6137 1 17 . 1 1 36 36 THR H H 36 7.675 7.675 7.607 0.068 18844 6138 1 17 . 1 1 37 37 GLY N N 37 109.795 109.795 109.558 0.237 18844 6139 1 17 . 1 1 37 37 GLY CA C 37 45.559 45.559 44.423 1.136 18844 6140 1 17 . 1 1 37 37 GLY H H 37 7.971 7.971 7.375 0.596 18844 6141 1 17 . 1 1 38 38 VAL N N 38 122.557 122.557 119.707 2.850 18844 6142 1 17 . 1 1 38 38 VAL HA H 38 3.638 3.638 3.982 -0.344 18844 6143 1 17 . 1 1 38 38 VAL CA C 38 62.437 62.437 60.352 2.085 18844 6144 1 17 . 1 1 38 38 VAL CB C 38 31.390 31.390 33.138 -1.748 18844 6145 1 17 . 1 1 38 38 VAL H H 38 7.533 7.533 7.464 0.069 18844 6146 1 17 . 1 1 39 39 LEU N N 39 127.828 127.828 123.032 4.796 18844 6147 1 17 . 1 1 39 39 LEU HA H 39 3.994 3.994 4.440 -0.446 18844 6148 1 17 . 1 1 39 39 LEU CA C 39 54.437 54.437 53.493 0.944 18844 6149 1 17 . 1 1 39 39 LEU CB C 39 40.557 40.557 40.184 0.373 18844 6150 1 17 . 1 1 39 39 LEU H H 39 8.634 8.634 8.250 0.384 18844 6151 1 17 . 1 1 40 40 PRO HA H 40 3.839 3.839 4.614 -0.775 18844 6152 1 17 . 1 1 40 40 PRO CA C 40 66.989 66.989 64.651 2.338 18844 6153 1 17 . 1 1 40 40 PRO CB C 40 32.322 32.322 31.879 0.443 18844 6154 1 17 . 1 1 41 41 GLU N N 41 114.752 114.752 118.032 -3.280 18844 6155 1 17 . 1 1 41 41 GLU HA H 41 4.071 4.071 4.105 -0.034 18844 6156 1 17 . 1 1 41 41 GLU CA C 41 58.938 58.938 58.532 0.406 18844 6157 1 17 . 1 1 41 41 GLU CB C 41 28.824 28.824 29.242 -0.418 18844 6158 1 17 . 1 1 41 41 GLU H H 41 9.746 9.746 8.602 1.144 18844 6159 1 17 . 1 1 42 42 ARG N N 42 118.145 118.145 115.849 2.296 18844 6160 1 17 . 1 1 42 42 ARG HA H 42 4.315 4.315 4.460 -0.145 18844 6161 1 17 . 1 1 42 42 ARG CA C 42 55.448 55.448 56.829 -1.381 18844 6162 1 17 . 1 1 42 42 ARG CB C 42 31.105 31.105 31.788 -0.683 18844 6163 1 17 . 1 1 42 42 ARG H H 42 7.938 7.938 7.580 0.358 18844 6164 1 17 . 1 1 43 43 GLN N N 43 118.250 118.250 118.055 0.195 18844 6165 1 17 . 1 1 43 43 GLN HA H 43 4.251 4.251 4.757 -0.506 18844 6166 1 17 . 1 1 43 43 GLN CA C 43 56.537 56.537 54.684 1.853 18844 6167 1 17 . 1 1 43 43 GLN CB C 43 30.992 30.992 31.300 -0.308 18844 6168 1 17 . 1 1 43 43 GLN H H 43 7.034 7.034 7.825 -0.791 18844 6169 1 17 . 1 1 44 44 LYS N N 44 122.693 122.693 120.909 1.784 18844 6170 1 17 . 1 1 44 44 LYS HA H 44 4.464 4.464 4.719 -0.255 18844 6171 1 17 . 1 1 44 44 LYS CA C 44 55.552 55.552 53.921 1.631 18844 6172 1 17 . 1 1 44 44 LYS CB C 44 34.325 34.325 34.943 -0.618 18844 6173 1 17 . 1 1 44 44 LYS H H 44 8.806 8.806 8.842 -0.036 18844 6174 1 17 . 1 1 45 45 LEU N N 45 124.806 124.806 124.583 0.223 18844 6175 1 17 . 1 1 45 45 LEU HA H 45 4.943 4.943 4.289 0.654 18844 6176 1 17 . 1 1 45 45 LEU CA C 45 53.542 53.542 55.218 -1.676 18844 6177 1 17 . 1 1 45 45 LEU CB C 45 41.821 41.821 40.894 0.927 18844 6178 1 17 . 1 1 45 45 LEU H H 45 8.704 8.704 8.769 -0.065 18844 6179 1 17 . 1 1 46 46 LEU N N 46 124.709 124.709 126.340 -1.631 18844 6180 1 17 . 1 1 46 46 LEU HA H 46 4.358 4.358 4.359 -0.001 18844 6181 1 17 . 1 1 46 46 LEU CA C 46 55.759 55.759 56.930 -1.171 18844 6182 1 17 . 1 1 46 46 LEU CB C 46 42.526 42.526 41.641 0.885 18844 6183 1 17 . 1 1 46 46 LEU H H 46 8.751 8.751 7.873 0.878 18844 6184 1 17 . 1 1 47 47 GLY N N 47 109.276 109.276 107.042 2.234 18844 6185 1 17 . 1 1 47 47 GLY CA C 47 45.560 45.560 44.710 0.850 18844 6186 1 17 . 1 1 47 47 GLY H H 47 8.300 8.300 8.390 -0.090 18844 6187 1 17 . 1 1 48 48 LEU N N 48 119.707 119.707 117.291 2.416 18844 6188 1 17 . 1 1 48 48 LEU HA H 48 4.590 4.590 4.187 0.403 18844 6189 1 17 . 1 1 48 48 LEU CA C 48 53.945 53.945 56.532 -2.587 18844 6190 1 17 . 1 1 48 48 LEU CB C 48 41.414 41.414 42.128 -0.714 18844 6191 1 17 . 1 1 48 48 LEU H H 48 7.581 7.581 7.394 0.187 18844 6192 1 17 . 1 1 49 49 LYS N N 49 124.527 124.527 118.454 6.073 18844 6193 1 17 . 1 1 49 49 LYS HA H 49 4.852 4.852 4.595 0.257 18844 6194 1 17 . 1 1 49 49 LYS CA C 49 55.663 55.663 54.984 0.679 18844 6195 1 17 . 1 1 49 49 LYS CB C 49 37.581 37.581 34.459 3.122 18844 6196 1 17 . 1 1 49 49 LYS H H 49 8.606 8.606 7.355 1.251 18844 6197 1 17 . 1 1 50 50 VAL N N 50 119.184 119.184 122.003 -2.819 18844 6198 1 17 . 1 1 50 50 VAL HA H 50 4.113 4.113 4.250 -0.137 18844 6199 1 17 . 1 1 50 50 VAL CA C 50 61.865 61.865 60.241 1.624 18844 6200 1 17 . 1 1 50 50 VAL CB C 50 34.734 34.734 35.311 -0.577 18844 6201 1 17 . 1 1 50 50 VAL H H 50 8.799 8.799 8.704 0.095 18844 6202 1 17 . 1 1 51 51 LYS N N 51 127.069 127.069 125.908 1.161 18844 6203 1 17 . 1 1 51 51 LYS HA H 51 3.824 3.824 3.986 -0.162 18844 6204 1 17 . 1 1 51 51 LYS CA C 51 57.407 57.407 56.823 0.584 18844 6205 1 17 . 1 1 51 51 LYS CB C 51 30.655 30.655 30.493 0.162 18844 6206 1 17 . 1 1 51 51 LYS H H 51 9.451 9.451 9.124 0.327 18844 6207 1 17 . 1 1 52 52 GLY N N 52 102.671 102.671 103.326 -0.655 18844 6208 1 17 . 1 1 52 52 GLY CA C 52 45.810 45.810 45.094 0.716 18844 6209 1 17 . 1 1 52 52 GLY H H 52 8.512 8.512 8.202 0.310 18844 6210 1 17 . 1 1 53 53 LYS N N 53 121.307 121.307 122.039 -0.732 18844 6211 1 17 . 1 1 53 53 LYS HA H 53 4.829 4.829 4.662 0.167 18844 6212 1 17 . 1 1 53 53 LYS CA C 53 53.616 53.616 52.953 0.663 18844 6213 1 17 . 1 1 53 53 LYS CB C 53 33.940 33.940 32.630 1.310 18844 6214 1 17 . 1 1 53 53 LYS H H 53 7.781 7.781 7.824 -0.043 18844 6215 1 17 . 1 1 54 54 PRO HA H 54 4.376 4.376 4.297 0.079 18844 6216 1 17 . 1 1 54 54 PRO CA C 54 63.817 63.817 64.183 -0.366 18844 6217 1 17 . 1 1 54 54 PRO CB C 54 32.151 32.151 31.907 0.244 18844 6218 1 17 . 1 1 55 55 ALA N N 55 125.654 125.654 118.587 7.067 18844 6219 1 17 . 1 1 55 55 ALA HA H 55 4.138 4.138 3.934 0.204 18844 6220 1 17 . 1 1 55 55 ALA CA C 55 52.664 52.664 52.908 -0.244 18844 6221 1 17 . 1 1 55 55 ALA CB C 55 20.044 20.044 17.903 2.141 18844 6222 1 17 . 1 1 55 55 ALA H H 55 8.114 8.114 8.102 0.012 18844 6223 1 17 . 1 1 56 56 GLU N N 56 122.313 122.313 118.226 4.087 18844 6224 1 17 . 1 1 56 56 GLU HA H 56 4.215 4.215 4.045 0.170 18844 6225 1 17 . 1 1 56 56 GLU CA C 56 56.089 56.089 59.287 -3.198 18844 6226 1 17 . 1 1 56 56 GLU CB C 56 31.086 31.086 30.181 0.905 18844 6227 1 17 . 1 1 56 56 GLU H H 56 8.179 8.179 8.639 -0.460 18844 6228 1 17 . 1 1 57 57 ASN N N 57 115.140 115.140 109.695 5.445 18844 6229 1 17 . 1 1 57 57 ASN HA H 57 4.229 4.229 4.708 -0.479 18844 6230 1 17 . 1 1 57 57 ASN CA C 57 55.199 55.199 53.919 1.280 18844 6231 1 17 . 1 1 57 57 ASN CB C 57 39.227 39.227 38.547 0.680 18844 6232 1 17 . 1 1 57 57 ASN H H 57 8.504 8.504 7.961 0.543 18844 6233 1 17 . 1 1 58 58 ASP N N 58 112.832 112.832 120.199 -7.367 18844 6234 1 17 . 1 1 58 58 ASP HA H 58 4.488 4.488 4.577 -0.089 18844 6235 1 17 . 1 1 58 58 ASP CA C 58 53.608 53.608 54.667 -1.059 18844 6236 1 17 . 1 1 58 58 ASP CB C 58 40.304 40.304 40.520 -0.216 18844 6237 1 17 . 1 1 58 58 ASP H H 58 8.198 8.198 8.625 -0.427 18844 6238 1 17 . 1 1 59 59 VAL N N 59 122.073 122.073 118.664 3.409 18844 6239 1 17 . 1 1 59 59 VAL HA H 59 3.593 3.593 4.111 -0.518 18844 6240 1 17 . 1 1 59 59 VAL CA C 59 63.840 63.840 61.231 2.609 18844 6241 1 17 . 1 1 59 59 VAL CB C 59 32.322 32.322 33.143 -0.821 18844 6242 1 17 . 1 1 59 59 VAL H H 59 7.353 7.353 7.451 -0.098 18844 6243 1 17 . 1 1 60 60 LYS N N 60 125.064 125.064 123.427 1.637 18844 6244 1 17 . 1 1 60 60 LYS HA H 60 4.447 4.447 4.497 -0.050 18844 6245 1 17 . 1 1 60 60 LYS CA C 60 56.185 56.185 55.568 0.617 18844 6246 1 17 . 1 1 60 60 LYS CB C 60 33.105 33.105 33.549 -0.444 18844 6247 1 17 . 1 1 60 60 LYS H H 60 8.339 8.339 8.360 -0.021 18844 6248 1 17 . 1 1 61 61 LEU N N 61 121.612 121.612 122.814 -1.202 18844 6249 1 17 . 1 1 61 61 LEU HA H 61 3.776 3.776 3.996 -0.220 18844 6250 1 17 . 1 1 61 61 LEU CA C 61 57.987 57.987 57.907 0.079 18844 6251 1 17 . 1 1 61 61 LEU CB C 61 40.832 40.832 41.708 -0.876 18844 6252 1 17 . 1 1 61 61 LEU H H 61 9.423 9.423 8.885 0.538 18844 6253 1 17 . 1 1 62 62 GLY N N 62 104.008 104.008 103.454 0.554 18844 6254 1 17 . 1 1 62 62 GLY CA C 62 46.772 46.772 45.708 1.064 18844 6255 1 17 . 1 1 62 62 GLY H H 62 9.107 9.107 7.886 1.221 18844 6256 1 17 . 1 1 63 63 ALA N N 63 122.025 122.025 122.659 -0.634 18844 6257 1 17 . 1 1 63 63 ALA HA H 63 4.273 4.273 4.430 -0.157 18844 6258 1 17 . 1 1 63 63 ALA CA C 63 53.421 53.421 53.316 0.105 18844 6259 1 17 . 1 1 63 63 ALA CB C 63 18.816 18.816 18.922 -0.106 18844 6260 1 17 . 1 1 63 63 ALA H H 63 7.755 7.755 7.647 0.108 18844 6261 1 17 . 1 1 64 64 LEU N N 64 115.454 115.454 115.194 0.260 18844 6262 1 17 . 1 1 64 64 LEU HA H 64 4.068 4.068 4.276 -0.208 18844 6263 1 17 . 1 1 64 64 LEU CA C 64 55.567 55.567 54.932 0.635 18844 6264 1 17 . 1 1 64 64 LEU CB C 64 42.136 42.136 42.286 -0.150 18844 6265 1 17 . 1 1 64 64 LEU H H 64 7.214 7.214 7.286 -0.072 18844 6266 1 17 . 1 1 65 65 LYS N N 65 114.830 114.830 114.605 0.225 18844 6267 1 17 . 1 1 65 65 LYS HA H 65 3.838 3.838 3.880 -0.042 18844 6268 1 17 . 1 1 65 65 LYS CA C 65 56.737 56.737 56.564 0.173 18844 6269 1 17 . 1 1 65 65 LYS CB C 65 29.307 29.307 29.262 0.045 18844 6270 1 17 . 1 1 65 65 LYS H H 65 7.642 7.642 7.693 -0.051 18844 6271 1 17 . 1 1 66 66 LEU N N 66 119.305 119.305 119.580 -0.275 18844 6272 1 17 . 1 1 66 66 LEU HA H 66 4.163 4.163 4.322 -0.159 18844 6273 1 17 . 1 1 66 66 LEU CA C 66 54.847 54.847 54.448 0.399 18844 6274 1 17 . 1 1 66 66 LEU CB C 66 42.712 42.712 43.092 -0.380 18844 6275 1 17 . 1 1 66 66 LEU H H 66 8.516 8.516 7.697 0.819 18844 6276 1 17 . 1 1 67 67 LYS N N 67 121.480 121.480 123.265 -1.785 18844 6277 1 17 . 1 1 67 67 LYS HA H 67 4.497 4.497 4.407 0.090 18844 6278 1 17 . 1 1 67 67 LYS CA C 67 54.152 54.152 55.420 -1.268 18844 6279 1 17 . 1 1 67 67 LYS CB C 67 31.999 31.999 32.108 -0.110 18844 6280 1 17 . 1 1 67 67 LYS H H 67 7.955 7.955 8.117 -0.162 18844 6281 1 17 . 1 1 68 68 PRO HA H 68 4.169 4.169 4.700 -0.531 18844 6282 1 17 . 1 1 68 68 PRO CA C 68 64.389 64.389 65.158 -0.769 18844 6283 1 17 . 1 1 68 68 PRO CB C 68 32.214 32.214 32.331 -0.117 18844 6284 1 17 . 1 1 69 69 ASN N N 69 115.414 115.414 116.440 -1.026 18844 6285 1 17 . 1 1 69 69 ASN HA H 69 3.962 3.962 4.644 -0.682 18844 6286 1 17 . 1 1 69 69 ASN CA C 69 55.021 55.021 53.835 1.186 18844 6287 1 17 . 1 1 69 69 ASN CB C 69 37.047 37.047 37.693 -0.646 18844 6288 1 17 . 1 1 69 69 ASN H H 69 8.966 8.966 8.319 0.647 18844 6289 1 17 . 1 1 70 70 THR N N 70 115.426 115.426 117.577 -2.151 18844 6290 1 17 . 1 1 70 70 THR HA H 70 3.949 3.949 4.120 -0.171 18844 6291 1 17 . 1 1 70 70 THR CA C 70 65.247 65.247 64.624 0.623 18844 6292 1 17 . 1 1 70 70 THR CB C 70 70.132 70.132 69.430 0.702 18844 6293 1 17 . 1 1 70 70 THR H H 70 7.712 7.712 7.696 0.016 18844 6294 1 17 . 1 1 71 71 LYS N N 71 124.603 124.603 124.807 -0.204 18844 6295 1 17 . 1 1 71 71 LYS HA H 71 5.179 5.179 5.036 0.143 18844 6296 1 17 . 1 1 71 71 LYS CA C 71 55.340 55.340 55.300 0.040 18844 6297 1 17 . 1 1 71 71 LYS CB C 71 33.729 33.729 34.147 -0.418 18844 6298 1 17 . 1 1 71 71 LYS H H 71 8.284 8.284 8.203 0.081 18844 6299 1 17 . 1 1 72 72 ILE N N 72 123.505 123.505 123.755 -0.250 18844 6300 1 17 . 1 1 72 72 ILE HA H 72 4.511 4.511 4.386 0.125 18844 6301 1 17 . 1 1 72 72 ILE CA C 72 59.636 59.636 59.247 0.389 18844 6302 1 17 . 1 1 72 72 ILE CB C 72 40.827 40.827 39.521 1.306 18844 6303 1 17 . 1 1 72 72 ILE H H 72 9.142 9.142 8.500 0.642 18844 6304 1 17 . 1 1 73 73 MET N N 73 123.090 123.090 125.858 -2.768 18844 6305 1 17 . 1 1 73 73 MET HA H 73 5.122 5.122 5.162 -0.040 18844 6306 1 17 . 1 1 73 73 MET CA C 73 54.949 54.949 55.139 -0.190 18844 6307 1 17 . 1 1 73 73 MET CB C 73 35.143 35.143 35.213 -0.070 18844 6308 1 17 . 1 1 73 73 MET H H 73 8.556 8.556 8.898 -0.342 18844 6309 1 17 . 1 1 74 74 MET N N 74 124.481 124.481 121.286 3.195 18844 6310 1 17 . 1 1 74 74 MET HA H 74 5.288 5.288 4.939 0.349 18844 6311 1 17 . 1 1 74 74 MET CA C 74 54.862 54.862 55.045 -0.183 18844 6312 1 17 . 1 1 74 74 MET CB C 74 36.294 36.294 35.252 1.042 18844 6313 1 17 . 1 1 74 74 MET H H 74 8.924 8.924 8.710 0.214 18844 6314 1 17 . 1 1 75 75 MET N N 75 123.963 123.963 123.391 0.572 18844 6315 1 17 . 1 1 75 75 MET HA H 75 5.093 5.093 5.040 0.053 18844 6316 1 17 . 1 1 75 75 MET CA C 75 54.265 54.265 54.387 -0.122 18844 6317 1 17 . 1 1 75 75 MET CB C 75 35.566 35.566 34.007 1.560 18844 6318 1 17 . 1 1 75 75 MET H H 75 9.112 9.112 8.329 0.783 18844 6319 1 17 . 1 1 76 76 GLY N N 76 109.773 109.773 111.583 -1.810 18844 6320 1 17 . 1 1 76 76 GLY CA C 76 45.901 45.901 45.363 0.538 18844 6321 1 17 . 1 1 76 76 GLY H H 76 8.711 8.711 8.761 -0.050 18844 6322 1 17 . 1 1 77 77 THR N N 77 113.345 113.345 114.294 -0.949 18844 6323 1 17 . 1 1 77 77 THR HA H 77 4.787 4.787 4.704 0.083 18844 6324 1 17 . 1 1 77 77 THR CA C 77 60.728 60.728 60.323 0.405 18844 6325 1 17 . 1 1 77 77 THR CB C 77 71.481 71.481 71.040 0.441 18844 6326 1 17 . 1 1 77 77 THR H H 77 8.280 8.280 8.285 -0.005 18844 6327 1 17 . 1 1 78 78 ARG N N 78 122.844 122.844 125.122 -2.278 18844 6328 1 17 . 1 1 78 78 ARG HA H 78 4.148 4.148 4.156 -0.008 18844 6329 1 17 . 1 1 78 78 ARG CA C 78 56.881 56.881 56.361 0.520 18844 6330 1 17 . 1 1 78 78 ARG CB C 78 31.607 31.607 30.826 0.781 18844 6331 1 17 . 1 1 78 78 ARG H H 78 8.852 8.852 8.492 0.360 18844 6332 1 17 . 1 1 79 79 GLU N N 79 122.181 122.181 122.096 0.085 18844 6333 1 17 . 1 1 79 79 GLU HA H 79 4.206 4.206 4.119 0.087 18844 6334 1 17 . 1 1 79 79 GLU CA C 79 57.007 57.007 57.187 -0.180 18844 6335 1 17 . 1 1 79 79 GLU CB C 79 30.764 30.764 29.513 1.251 18844 6336 1 17 . 1 1 79 79 GLU H H 79 8.300 8.300 8.514 -0.214 18844 6337 1 17 . 1 1 80 80 GLU N N 80 126.965 126.965 122.628 4.337 18844 6338 1 17 . 1 1 80 80 GLU HA H 80 4.049 4.049 4.048 0.001 18844 6339 1 17 . 1 1 80 80 GLU CA C 80 58.328 58.328 58.027 0.301 18844 6340 1 17 . 1 1 80 80 GLU CB C 80 31.287 31.287 30.019 1.268 18844 6341 1 17 . 1 1 80 80 GLU H H 80 8.015 8.015 8.656 -0.641 18844 6342 1 18 . 1 1 2 2 ALA N N 2 126.014 126.014 124.415 1.599 18844 6343 1 18 . 1 1 2 2 ALA HA H 2 4.033 4.033 4.498 -0.465 18844 6344 1 18 . 1 1 2 2 ALA CA C 2 53.215 53.215 51.678 1.537 18844 6345 1 18 . 1 1 2 2 ALA CB C 2 19.376 19.376 19.704 -0.328 18844 6346 1 18 . 1 1 2 2 ALA H H 2 8.410 8.410 8.410 -0.000 18844 6347 1 18 . 1 1 3 3 LEU N N 3 123.255 123.255 124.338 -1.083 18844 6348 1 18 . 1 1 3 3 LEU HA H 3 4.646 4.646 4.590 0.056 18844 6349 1 18 . 1 1 3 3 LEU CA C 3 51.817 51.817 52.197 -0.380 18844 6350 1 18 . 1 1 3 3 LEU CB C 3 43.557 43.557 43.285 0.272 18844 6351 1 18 . 1 1 3 3 LEU H H 3 8.271 8.271 8.472 -0.201 18844 6352 1 18 . 1 1 4 4 PRO HA H 4 4.606 4.606 4.784 -0.178 18844 6353 1 18 . 1 1 4 4 PRO CA C 4 63.240 63.240 62.245 0.995 18844 6354 1 18 . 1 1 4 4 PRO CB C 4 32.070 32.070 32.885 -0.815 18844 6355 1 18 . 1 1 5 5 ILE N N 5 122.161 122.161 118.260 3.901 18844 6356 1 18 . 1 1 5 5 ILE HA H 5 4.359 4.359 4.840 -0.481 18844 6357 1 18 . 1 1 5 5 ILE CA C 5 60.833 60.833 60.502 0.331 18844 6358 1 18 . 1 1 5 5 ILE CB C 5 43.943 43.943 42.769 1.174 18844 6359 1 18 . 1 1 5 5 ILE H H 5 8.317 8.317 7.743 0.574 18844 6360 1 18 . 1 1 6 6 ILE N N 6 125.649 125.649 126.232 -0.583 18844 6361 1 18 . 1 1 6 6 ILE HA H 6 4.921 4.921 4.759 0.162 18844 6362 1 18 . 1 1 6 6 ILE CA C 6 59.865 59.865 60.834 -0.969 18844 6363 1 18 . 1 1 6 6 ILE CB C 6 40.264 40.264 40.272 -0.008 18844 6364 1 18 . 1 1 6 6 ILE H H 6 8.408 8.408 8.379 0.029 18844 6365 1 18 . 1 1 7 7 VAL N N 7 125.741 125.741 126.889 -1.148 18844 6366 1 18 . 1 1 7 7 VAL HA H 7 4.930 4.930 4.716 0.214 18844 6367 1 18 . 1 1 7 7 VAL CA C 7 60.363 60.363 60.482 -0.119 18844 6368 1 18 . 1 1 7 7 VAL CB C 7 34.759 34.759 35.161 -0.402 18844 6369 1 18 . 1 1 7 7 VAL H H 7 9.155 9.155 9.152 0.003 18844 6370 1 18 . 1 1 8 8 LYS N N 8 128.098 128.098 128.727 -0.629 18844 6371 1 18 . 1 1 8 8 LYS HA H 8 5.232 5.232 5.465 -0.233 18844 6372 1 18 . 1 1 8 8 LYS CA C 8 55.275 55.275 54.506 0.769 18844 6373 1 18 . 1 1 8 8 LYS CB C 8 34.935 34.935 34.307 0.628 18844 6374 1 18 . 1 1 8 8 LYS H H 8 9.174 9.174 8.885 0.289 18844 6375 1 18 . 1 1 9 9 TRP N N 9 125.952 125.952 128.347 -2.395 18844 6376 1 18 . 1 1 9 9 TRP HA H 9 5.185 5.185 4.912 0.273 18844 6377 1 18 . 1 1 9 9 TRP CA C 9 57.734 57.734 56.603 1.131 18844 6378 1 18 . 1 1 9 9 TRP CB C 9 31.561 31.561 31.297 0.264 18844 6379 1 18 . 1 1 9 9 TRP H H 9 8.844 8.844 8.386 0.458 18844 6380 1 18 . 1 1 10 10 GLY N N 10 117.044 117.044 116.495 0.549 18844 6381 1 18 . 1 1 10 10 GLY CA C 10 47.101 47.101 45.455 1.646 18844 6382 1 18 . 1 1 10 10 GLY H H 10 8.683 8.683 8.601 0.082 18844 6383 1 18 . 1 1 11 11 GLY N N 11 109.364 109.364 111.367 -2.003 18844 6384 1 18 . 1 1 11 11 GLY CA C 11 45.460 45.460 45.059 0.401 18844 6385 1 18 . 1 1 11 11 GLY H H 11 8.600 8.600 7.945 0.655 18844 6386 1 18 . 1 1 12 12 GLN N N 12 119.388 119.388 119.905 -0.517 18844 6387 1 18 . 1 1 12 12 GLN HA H 12 4.483 4.483 4.584 -0.101 18844 6388 1 18 . 1 1 12 12 GLN CA C 12 54.502 54.502 55.005 -0.503 18844 6389 1 18 . 1 1 12 12 GLN CB C 12 32.178 32.178 31.948 0.230 18844 6390 1 18 . 1 1 12 12 GLN H H 12 7.865 7.865 7.689 0.176 18844 6391 1 18 . 1 1 13 13 GLU N N 13 119.756 119.756 121.829 -2.073 18844 6392 1 18 . 1 1 13 13 GLU HA H 13 4.880 4.880 4.886 -0.006 18844 6393 1 18 . 1 1 13 13 GLU CA C 13 55.655 55.655 55.380 0.274 18844 6394 1 18 . 1 1 13 13 GLU CB C 13 32.306 32.306 31.687 0.619 18844 6395 1 18 . 1 1 13 13 GLU H H 13 8.172 8.172 8.469 -0.297 18844 6396 1 18 . 1 1 14 14 TYR N N 14 122.812 122.812 121.790 1.022 18844 6397 1 18 . 1 1 14 14 TYR HA H 14 4.601 4.601 4.772 -0.171 18844 6398 1 18 . 1 1 14 14 TYR CA C 14 57.246 57.246 56.782 0.464 18844 6399 1 18 . 1 1 14 14 TYR CB C 14 40.544 40.544 41.624 -1.081 18844 6400 1 18 . 1 1 14 14 TYR H H 14 9.381 9.381 8.843 0.538 18844 6401 1 18 . 1 1 15 15 SER N N 15 118.339 118.339 119.241 -0.902 18844 6402 1 18 . 1 1 15 15 SER HA H 15 4.747 4.747 4.781 -0.034 18844 6403 1 18 . 1 1 15 15 SER CA C 15 58.099 58.099 57.869 0.230 18844 6404 1 18 . 1 1 15 15 SER CB C 15 63.394 63.394 64.079 -0.685 18844 6405 1 18 . 1 1 15 15 SER H H 15 8.802 8.802 8.790 0.012 18844 6406 1 18 . 1 1 16 16 VAL N N 16 128.611 128.611 125.933 2.678 18844 6407 1 18 . 1 1 16 16 VAL HA H 16 4.205 4.205 4.359 -0.154 18844 6408 1 18 . 1 1 16 16 VAL CA C 16 62.344 62.344 62.312 0.032 18844 6409 1 18 . 1 1 16 16 VAL CB C 16 32.528 32.528 31.750 0.778 18844 6410 1 18 . 1 1 16 16 VAL H H 16 9.005 9.005 8.935 0.070 18844 6411 1 18 . 1 1 17 17 THR N N 17 116.170 116.170 120.187 -4.017 18844 6412 1 18 . 1 1 17 17 THR HA H 17 4.533 4.533 4.725 -0.192 18844 6413 1 18 . 1 1 17 17 THR CA C 17 62.331 62.331 61.286 1.045 18844 6414 1 18 . 1 1 17 17 THR CB C 17 70.040 70.040 69.207 0.834 18844 6415 1 18 . 1 1 17 17 THR H H 17 8.746 8.746 8.708 0.038 18844 6416 1 18 . 1 1 18 18 THR N N 18 107.517 107.517 116.562 -9.045 18844 6417 1 18 . 1 1 18 18 THR HA H 18 4.173 4.173 4.167 0.006 18844 6418 1 18 . 1 1 18 18 THR CA C 18 61.772 61.772 63.284 -1.512 18844 6419 1 18 . 1 1 18 18 THR CB C 18 69.121 69.121 69.106 0.015 18844 6420 1 18 . 1 1 18 18 THR H H 18 6.812 6.812 8.464 -1.652 18844 6421 1 18 . 1 1 19 19 LEU N N 19 123.019 123.019 122.634 0.385 18844 6422 1 18 . 1 1 19 19 LEU HA H 19 4.583 4.583 4.325 0.258 18844 6423 1 18 . 1 1 19 19 LEU CA C 19 54.180 54.180 54.163 0.017 18844 6424 1 18 . 1 1 19 19 LEU CB C 19 42.711 42.711 42.823 -0.112 18844 6425 1 18 . 1 1 19 19 LEU H H 19 8.388 8.388 7.778 0.610 18844 6426 1 18 . 1 1 20 20 SER N N 20 117.870 117.870 115.586 2.284 18844 6427 1 18 . 1 1 20 20 SER HA H 20 4.863 4.863 4.889 -0.026 18844 6428 1 18 . 1 1 20 20 SER CA C 20 56.832 56.832 56.548 0.284 18844 6429 1 18 . 1 1 20 20 SER CB C 20 67.845 67.845 66.705 1.140 18844 6430 1 18 . 1 1 20 20 SER H H 20 9.714 9.714 8.834 0.880 18844 6431 1 18 . 1 1 21 21 GLU N N 21 116.130 116.130 121.329 -5.199 18844 6432 1 18 . 1 1 21 21 GLU HA H 21 3.740 3.740 4.037 -0.297 18844 6433 1 18 . 1 1 21 21 GLU CA C 21 59.134 59.134 59.193 -0.059 18844 6434 1 18 . 1 1 21 21 GLU CB C 21 30.854 30.854 29.153 1.701 18844 6435 1 18 . 1 1 21 21 GLU H H 21 8.491 8.491 9.151 -0.660 18844 6436 1 18 . 1 1 22 22 ASP N N 22 115.741 115.741 118.411 -2.670 18844 6437 1 18 . 1 1 22 22 ASP HA H 22 4.650 4.650 4.611 0.039 18844 6438 1 18 . 1 1 22 22 ASP CA C 22 55.156 55.156 54.923 0.233 18844 6439 1 18 . 1 1 22 22 ASP CB C 22 42.579 42.579 40.688 1.891 18844 6440 1 18 . 1 1 22 22 ASP H H 22 7.936 7.936 8.415 -0.479 18844 6441 1 18 . 1 1 23 23 ASP N N 23 119.945 119.945 118.042 1.903 18844 6442 1 18 . 1 1 23 23 ASP HA H 23 4.841 4.841 4.780 0.061 18844 6443 1 18 . 1 1 23 23 ASP CA C 23 55.223 55.223 53.895 1.328 18844 6444 1 18 . 1 1 23 23 ASP CB C 23 42.782 42.782 42.445 0.337 18844 6445 1 18 . 1 1 23 23 ASP H H 23 7.313 7.313 8.089 -0.776 18844 6446 1 18 . 1 1 24 24 THR N N 24 107.918 107.918 109.351 -1.433 18844 6447 1 18 . 1 1 24 24 THR HA H 24 5.328 5.328 4.793 0.535 18844 6448 1 18 . 1 1 24 24 THR CA C 24 60.989 60.989 60.220 0.769 18844 6449 1 18 . 1 1 24 24 THR CB C 24 74.287 74.287 71.873 2.414 18844 6450 1 18 . 1 1 24 24 THR H H 24 9.630 9.630 7.768 1.862 18844 6451 1 18 . 1 1 25 25 VAL N N 25 120.192 120.192 121.773 -1.581 18844 6452 1 18 . 1 1 25 25 VAL HA H 25 3.334 3.334 3.781 -0.447 18844 6453 1 18 . 1 1 25 25 VAL CA C 25 67.626 67.626 66.308 1.318 18844 6454 1 18 . 1 1 25 25 VAL CB C 25 32.149 32.149 31.056 1.093 18844 6455 1 18 . 1 1 25 25 VAL H H 25 8.260 8.260 8.785 -0.525 18844 6456 1 18 . 1 1 26 26 LEU N N 26 119.941 119.941 118.698 1.243 18844 6457 1 18 . 1 1 26 26 LEU HA H 26 3.872 3.872 3.985 -0.113 18844 6458 1 18 . 1 1 26 26 LEU CA C 26 58.592 58.592 58.513 0.079 18844 6459 1 18 . 1 1 26 26 LEU CB C 26 41.716 41.716 41.252 0.464 18844 6460 1 18 . 1 1 26 26 LEU H H 26 8.523 8.523 7.322 1.201 18844 6461 1 18 . 1 1 27 27 ASP N N 27 118.322 118.322 118.602 -0.280 18844 6462 1 18 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.425 -0.152 18844 6463 1 18 . 1 1 27 27 ASP CA C 27 58.663 58.663 57.102 1.561 18844 6464 1 18 . 1 1 27 27 ASP CB C 27 40.931 40.931 40.637 0.294 18844 6465 1 18 . 1 1 27 27 ASP H H 27 7.581 7.581 8.316 -0.735 18844 6466 1 18 . 1 1 28 28 LEU N N 28 122.021 122.021 120.633 1.388 18844 6467 1 18 . 1 1 28 28 LEU HA H 28 4.083 4.083 4.181 -0.098 18844 6468 1 18 . 1 1 28 28 LEU CA C 28 58.772 58.772 58.054 0.718 18844 6469 1 18 . 1 1 28 28 LEU CB C 28 41.225 41.225 42.375 -1.150 18844 6470 1 18 . 1 1 28 28 LEU H H 28 7.837 7.837 7.519 0.318 18844 6471 1 18 . 1 1 29 29 LYS N N 29 119.086 119.086 119.672 -0.586 18844 6472 1 18 . 1 1 29 29 LYS HA H 29 4.520 4.520 3.948 0.572 18844 6473 1 18 . 1 1 29 29 LYS CA C 29 59.787 59.787 60.568 -0.781 18844 6474 1 18 . 1 1 29 29 LYS CB C 29 34.297 34.297 32.135 2.162 18844 6475 1 18 . 1 1 29 29 LYS H H 29 8.467 8.467 8.609 -0.142 18844 6476 1 18 . 1 1 30 30 GLN N N 30 119.268 119.268 118.115 1.153 18844 6477 1 18 . 1 1 30 30 GLN HA H 30 3.932 3.932 3.996 -0.064 18844 6478 1 18 . 1 1 30 30 GLN CA C 30 59.663 59.663 58.896 0.767 18844 6479 1 18 . 1 1 30 30 GLN CB C 30 27.806 27.806 27.930 -0.124 18844 6480 1 18 . 1 1 30 30 GLN H H 30 9.049 9.049 8.197 0.852 18844 6481 1 18 . 1 1 31 31 PHE N N 31 121.690 121.690 120.344 1.346 18844 6482 1 18 . 1 1 31 31 PHE HA H 31 4.218 4.218 4.291 -0.073 18844 6483 1 18 . 1 1 31 31 PHE CA C 31 61.967 61.967 60.615 1.352 18844 6484 1 18 . 1 1 31 31 PHE CB C 31 39.374 39.374 39.360 0.014 18844 6485 1 18 . 1 1 31 31 PHE H H 31 8.039 8.039 7.455 0.584 18844 6486 1 18 . 1 1 32 32 LEU N N 32 118.232 118.232 117.705 0.527 18844 6487 1 18 . 1 1 32 32 LEU HA H 32 3.637 3.637 3.759 -0.122 18844 6488 1 18 . 1 1 32 32 LEU CA C 32 57.708 57.708 58.301 -0.593 18844 6489 1 18 . 1 1 32 32 LEU CB C 32 41.270 41.270 41.152 0.118 18844 6490 1 18 . 1 1 32 32 LEU H H 32 8.776 8.776 8.404 0.372 18844 6491 1 18 . 1 1 33 33 LYS N N 33 125.920 125.920 118.879 7.041 18844 6492 1 18 . 1 1 33 33 LYS HA H 33 3.802 3.802 3.794 0.008 18844 6493 1 18 . 1 1 33 33 LYS CA C 33 60.116 60.116 59.107 1.009 18844 6494 1 18 . 1 1 33 33 LYS CB C 33 31.701 31.701 31.466 0.235 18844 6495 1 18 . 1 1 33 33 LYS H H 33 8.237 8.237 8.458 -0.221 18844 6496 1 18 . 1 1 34 34 THR N N 34 114.544 114.544 112.066 2.478 18844 6497 1 18 . 1 1 34 34 THR HA H 34 3.773 3.773 4.061 -0.288 18844 6498 1 18 . 1 1 34 34 THR CA C 34 65.749 65.749 63.856 1.893 18844 6499 1 18 . 1 1 34 34 THR CB C 34 68.620 68.620 68.731 -0.111 18844 6500 1 18 . 1 1 34 34 THR H H 34 7.281 7.281 7.054 0.227 18844 6501 1 18 . 1 1 35 35 LEU N N 35 117.590 117.590 120.132 -2.542 18844 6502 1 18 . 1 1 35 35 LEU HA H 35 4.018 4.018 4.071 -0.053 18844 6503 1 18 . 1 1 35 35 LEU CA C 35 57.015 57.015 57.053 -0.038 18844 6504 1 18 . 1 1 35 35 LEU CB C 35 44.003 44.003 42.565 1.438 18844 6505 1 18 . 1 1 35 35 LEU H H 35 6.752 6.752 7.578 -0.826 18844 6506 1 18 . 1 1 36 36 THR N N 36 104.865 104.865 109.367 -4.502 18844 6507 1 18 . 1 1 36 36 THR HA H 36 3.967 3.967 4.276 -0.309 18844 6508 1 18 . 1 1 36 36 THR CA C 36 62.756 62.756 62.085 0.671 18844 6509 1 18 . 1 1 36 36 THR CB C 36 72.343 72.343 70.025 2.318 18844 6510 1 18 . 1 1 36 36 THR H H 36 7.675 7.675 7.547 0.128 18844 6511 1 18 . 1 1 37 37 GLY N N 37 109.795 109.795 108.787 1.008 18844 6512 1 18 . 1 1 37 37 GLY CA C 37 45.559 45.559 44.587 0.972 18844 6513 1 18 . 1 1 37 37 GLY H H 37 7.971 7.971 7.325 0.646 18844 6514 1 18 . 1 1 38 38 VAL N N 38 122.557 122.557 118.923 3.634 18844 6515 1 18 . 1 1 38 38 VAL HA H 38 3.638 3.638 4.004 -0.366 18844 6516 1 18 . 1 1 38 38 VAL CA C 38 62.437 62.437 60.339 2.098 18844 6517 1 18 . 1 1 38 38 VAL CB C 38 31.390 31.390 33.541 -2.151 18844 6518 1 18 . 1 1 38 38 VAL H H 38 7.533 7.533 7.242 0.291 18844 6519 1 18 . 1 1 39 39 LEU N N 39 127.828 127.828 123.270 4.558 18844 6520 1 18 . 1 1 39 39 LEU HA H 39 3.994 3.994 4.419 -0.425 18844 6521 1 18 . 1 1 39 39 LEU CA C 39 54.437 54.437 53.361 1.076 18844 6522 1 18 . 1 1 39 39 LEU CB C 39 40.557 40.557 40.183 0.374 18844 6523 1 18 . 1 1 39 39 LEU H H 39 8.634 8.634 8.273 0.361 18844 6524 1 18 . 1 1 40 40 PRO HA H 40 3.839 3.839 4.752 -0.913 18844 6525 1 18 . 1 1 40 40 PRO CA C 40 66.989 66.989 64.646 2.343 18844 6526 1 18 . 1 1 40 40 PRO CB C 40 32.322 32.322 31.867 0.455 18844 6527 1 18 . 1 1 41 41 GLU N N 41 114.752 114.752 118.151 -3.399 18844 6528 1 18 . 1 1 41 41 GLU HA H 41 4.071 4.071 4.106 -0.035 18844 6529 1 18 . 1 1 41 41 GLU CA C 41 58.938 58.938 58.513 0.425 18844 6530 1 18 . 1 1 41 41 GLU CB C 41 28.824 28.824 29.201 -0.377 18844 6531 1 18 . 1 1 41 41 GLU H H 41 9.746 9.746 8.620 1.126 18844 6532 1 18 . 1 1 42 42 ARG N N 42 118.145 118.145 115.875 2.270 18844 6533 1 18 . 1 1 42 42 ARG HA H 42 4.315 4.315 4.452 -0.137 18844 6534 1 18 . 1 1 42 42 ARG CA C 42 55.448 55.448 56.871 -1.423 18844 6535 1 18 . 1 1 42 42 ARG CB C 42 31.105 31.105 31.805 -0.700 18844 6536 1 18 . 1 1 42 42 ARG H H 42 7.938 7.938 7.565 0.373 18844 6537 1 18 . 1 1 43 43 GLN N N 43 118.250 118.250 118.600 -0.350 18844 6538 1 18 . 1 1 43 43 GLN HA H 43 4.251 4.251 4.746 -0.495 18844 6539 1 18 . 1 1 43 43 GLN CA C 43 56.537 56.537 54.692 1.845 18844 6540 1 18 . 1 1 43 43 GLN CB C 43 30.992 30.992 30.661 0.331 18844 6541 1 18 . 1 1 43 43 GLN H H 43 7.034 7.034 7.791 -0.757 18844 6542 1 18 . 1 1 44 44 LYS N N 44 122.693 122.693 119.335 3.358 18844 6543 1 18 . 1 1 44 44 LYS HA H 44 4.464 4.464 4.716 -0.252 18844 6544 1 18 . 1 1 44 44 LYS CA C 44 55.552 55.552 54.813 0.739 18844 6545 1 18 . 1 1 44 44 LYS CB C 44 34.325 34.325 34.726 -0.401 18844 6546 1 18 . 1 1 44 44 LYS H H 44 8.806 8.806 8.924 -0.118 18844 6547 1 18 . 1 1 45 45 LEU N N 45 124.806 124.806 124.094 0.712 18844 6548 1 18 . 1 1 45 45 LEU HA H 45 4.943 4.943 4.285 0.658 18844 6549 1 18 . 1 1 45 45 LEU CA C 45 53.542 53.542 55.147 -1.605 18844 6550 1 18 . 1 1 45 45 LEU CB C 45 41.821 41.821 40.804 1.017 18844 6551 1 18 . 1 1 45 45 LEU H H 45 8.704 8.704 8.629 0.075 18844 6552 1 18 . 1 1 46 46 LEU N N 46 124.709 124.709 126.009 -1.300 18844 6553 1 18 . 1 1 46 46 LEU HA H 46 4.358 4.358 4.400 -0.042 18844 6554 1 18 . 1 1 46 46 LEU CA C 46 55.759 55.759 57.336 -1.577 18844 6555 1 18 . 1 1 46 46 LEU CB C 46 42.526 42.526 42.462 0.064 18844 6556 1 18 . 1 1 46 46 LEU H H 46 8.751 8.751 7.945 0.806 18844 6557 1 18 . 1 1 47 47 GLY N N 47 109.276 109.276 105.067 4.209 18844 6558 1 18 . 1 1 47 47 GLY CA C 47 45.560 45.560 44.441 1.119 18844 6559 1 18 . 1 1 47 47 GLY H H 47 8.300 8.300 8.116 0.184 18844 6560 1 18 . 1 1 48 48 LEU N N 48 119.707 119.707 119.522 0.185 18844 6561 1 18 . 1 1 48 48 LEU HA H 48 4.590 4.590 4.056 0.534 18844 6562 1 18 . 1 1 48 48 LEU CA C 48 53.945 53.945 56.630 -2.685 18844 6563 1 18 . 1 1 48 48 LEU CB C 48 41.414 41.414 42.511 -1.097 18844 6564 1 18 . 1 1 48 48 LEU H H 48 7.581 7.581 7.922 -0.341 18844 6565 1 18 . 1 1 49 49 LYS N N 49 124.527 124.527 115.611 8.916 18844 6566 1 18 . 1 1 49 49 LYS HA H 49 4.852 4.852 4.556 0.296 18844 6567 1 18 . 1 1 49 49 LYS CA C 49 55.663 55.663 55.127 0.536 18844 6568 1 18 . 1 1 49 49 LYS CB C 49 37.581 37.581 34.556 3.025 18844 6569 1 18 . 1 1 49 49 LYS H H 49 8.606 8.606 7.412 1.194 18844 6570 1 18 . 1 1 50 50 VAL N N 50 119.184 119.184 120.406 -1.222 18844 6571 1 18 . 1 1 50 50 VAL HA H 50 4.113 4.113 4.317 -0.204 18844 6572 1 18 . 1 1 50 50 VAL CA C 50 61.865 61.865 60.331 1.534 18844 6573 1 18 . 1 1 50 50 VAL CB C 50 34.734 34.734 35.383 -0.649 18844 6574 1 18 . 1 1 50 50 VAL H H 50 8.799 8.799 8.248 0.551 18844 6575 1 18 . 1 1 51 51 LYS N N 51 127.069 127.069 126.831 0.238 18844 6576 1 18 . 1 1 51 51 LYS HA H 51 3.824 3.824 3.957 -0.133 18844 6577 1 18 . 1 1 51 51 LYS CA C 51 57.407 57.407 57.089 0.318 18844 6578 1 18 . 1 1 51 51 LYS CB C 51 30.655 30.655 30.835 -0.180 18844 6579 1 18 . 1 1 51 51 LYS H H 51 9.451 9.451 9.140 0.311 18844 6580 1 18 . 1 1 52 52 GLY N N 52 102.671 102.671 103.679 -1.008 18844 6581 1 18 . 1 1 52 52 GLY CA C 52 45.810 45.810 45.120 0.690 18844 6582 1 18 . 1 1 52 52 GLY H H 52 8.512 8.512 8.186 0.326 18844 6583 1 18 . 1 1 53 53 LYS N N 53 121.307 121.307 121.888 -0.581 18844 6584 1 18 . 1 1 53 53 LYS HA H 53 4.829 4.829 4.655 0.174 18844 6585 1 18 . 1 1 53 53 LYS CA C 53 53.616 53.616 52.968 0.648 18844 6586 1 18 . 1 1 53 53 LYS CB C 53 33.940 33.940 32.598 1.342 18844 6587 1 18 . 1 1 53 53 LYS H H 53 7.781 7.781 7.845 -0.064 18844 6588 1 18 . 1 1 54 54 PRO HA H 54 4.376 4.376 4.222 0.154 18844 6589 1 18 . 1 1 54 54 PRO CA C 54 63.817 63.817 64.151 -0.334 18844 6590 1 18 . 1 1 54 54 PRO CB C 54 32.151 32.151 31.829 0.322 18844 6591 1 18 . 1 1 55 55 ALA N N 55 125.654 125.654 120.292 5.362 18844 6592 1 18 . 1 1 55 55 ALA HA H 55 4.138 4.138 3.990 0.148 18844 6593 1 18 . 1 1 55 55 ALA CA C 55 52.664 52.664 52.885 -0.220 18844 6594 1 18 . 1 1 55 55 ALA CB C 55 20.044 20.044 17.831 2.213 18844 6595 1 18 . 1 1 55 55 ALA H H 55 8.114 8.114 7.974 0.140 18844 6596 1 18 . 1 1 56 56 GLU N N 56 122.313 122.313 118.795 3.518 18844 6597 1 18 . 1 1 56 56 GLU HA H 56 4.215 4.215 4.022 0.193 18844 6598 1 18 . 1 1 56 56 GLU CA C 56 56.089 56.089 59.154 -3.064 18844 6599 1 18 . 1 1 56 56 GLU CB C 56 31.086 31.086 30.024 1.062 18844 6600 1 18 . 1 1 56 56 GLU H H 56 8.179 8.179 8.676 -0.497 18844 6601 1 18 . 1 1 57 57 ASN N N 57 115.140 115.140 109.212 5.928 18844 6602 1 18 . 1 1 57 57 ASN HA H 57 4.229 4.229 4.694 -0.465 18844 6603 1 18 . 1 1 57 57 ASN CA C 57 55.199 55.199 53.796 1.403 18844 6604 1 18 . 1 1 57 57 ASN CB C 57 39.227 39.227 38.762 0.465 18844 6605 1 18 . 1 1 57 57 ASN H H 57 8.504 8.504 7.924 0.580 18844 6606 1 18 . 1 1 58 58 ASP N N 58 112.832 112.832 120.948 -8.116 18844 6607 1 18 . 1 1 58 58 ASP HA H 58 4.488 4.488 4.552 -0.064 18844 6608 1 18 . 1 1 58 58 ASP CA C 58 53.608 53.608 55.302 -1.694 18844 6609 1 18 . 1 1 58 58 ASP CB C 58 40.304 40.304 40.596 -0.292 18844 6610 1 18 . 1 1 58 58 ASP H H 58 8.198 8.198 8.527 -0.329 18844 6611 1 18 . 1 1 59 59 VAL N N 59 122.073 122.073 119.098 2.975 18844 6612 1 18 . 1 1 59 59 VAL HA H 59 3.593 3.593 4.038 -0.445 18844 6613 1 18 . 1 1 59 59 VAL CA C 59 63.840 63.840 61.842 1.998 18844 6614 1 18 . 1 1 59 59 VAL CB C 59 32.322 32.322 32.838 -0.516 18844 6615 1 18 . 1 1 59 59 VAL H H 59 7.353 7.353 7.570 -0.217 18844 6616 1 18 . 1 1 60 60 LYS N N 60 125.064 125.064 123.842 1.222 18844 6617 1 18 . 1 1 60 60 LYS HA H 60 4.447 4.447 4.697 -0.250 18844 6618 1 18 . 1 1 60 60 LYS CA C 60 56.185 56.185 55.160 1.025 18844 6619 1 18 . 1 1 60 60 LYS CB C 60 33.105 33.105 34.062 -0.957 18844 6620 1 18 . 1 1 60 60 LYS H H 60 8.339 8.339 8.221 0.118 18844 6621 1 18 . 1 1 61 61 LEU N N 61 121.612 121.612 122.198 -0.586 18844 6622 1 18 . 1 1 61 61 LEU HA H 61 3.776 3.776 3.989 -0.213 18844 6623 1 18 . 1 1 61 61 LEU CA C 61 57.987 57.987 58.204 -0.217 18844 6624 1 18 . 1 1 61 61 LEU CB C 61 40.832 40.832 41.826 -0.994 18844 6625 1 18 . 1 1 61 61 LEU H H 61 9.423 9.423 8.811 0.612 18844 6626 1 18 . 1 1 62 62 GLY N N 62 104.008 104.008 102.828 1.180 18844 6627 1 18 . 1 1 62 62 GLY CA C 62 46.772 46.772 45.534 1.238 18844 6628 1 18 . 1 1 62 62 GLY H H 62 9.107 9.107 8.247 0.860 18844 6629 1 18 . 1 1 63 63 ALA N N 63 122.025 122.025 123.300 -1.275 18844 6630 1 18 . 1 1 63 63 ALA HA H 63 4.273 4.273 4.374 -0.101 18844 6631 1 18 . 1 1 63 63 ALA CA C 63 53.421 53.421 53.682 -0.261 18844 6632 1 18 . 1 1 63 63 ALA CB C 63 18.816 18.816 18.904 -0.087 18844 6633 1 18 . 1 1 63 63 ALA H H 63 7.755 7.755 7.590 0.165 18844 6634 1 18 . 1 1 64 64 LEU N N 64 115.454 115.454 115.897 -0.443 18844 6635 1 18 . 1 1 64 64 LEU HA H 64 4.068 4.068 4.109 -0.041 18844 6636 1 18 . 1 1 64 64 LEU CA C 64 55.567 55.567 55.936 -0.369 18844 6637 1 18 . 1 1 64 64 LEU CB C 64 42.136 42.136 42.257 -0.121 18844 6638 1 18 . 1 1 64 64 LEU H H 64 7.214 7.214 7.652 -0.438 18844 6639 1 18 . 1 1 65 65 LYS N N 65 114.830 114.830 113.566 1.264 18844 6640 1 18 . 1 1 65 65 LYS HA H 65 3.838 3.838 3.900 -0.062 18844 6641 1 18 . 1 1 65 65 LYS CA C 65 56.737 56.737 56.664 0.073 18844 6642 1 18 . 1 1 65 65 LYS CB C 65 29.307 29.307 29.174 0.133 18844 6643 1 18 . 1 1 65 65 LYS H H 65 7.642 7.642 7.688 -0.046 18844 6644 1 18 . 1 1 66 66 LEU N N 66 119.305 119.305 120.509 -1.204 18844 6645 1 18 . 1 1 66 66 LEU HA H 66 4.163 4.163 4.355 -0.192 18844 6646 1 18 . 1 1 66 66 LEU CA C 66 54.847 54.847 54.310 0.537 18844 6647 1 18 . 1 1 66 66 LEU CB C 66 42.712 42.712 43.047 -0.334 18844 6648 1 18 . 1 1 66 66 LEU H H 66 8.516 8.516 7.736 0.780 18844 6649 1 18 . 1 1 67 67 LYS N N 67 121.480 121.480 122.932 -1.452 18844 6650 1 18 . 1 1 67 67 LYS HA H 67 4.497 4.497 4.405 0.092 18844 6651 1 18 . 1 1 67 67 LYS CA C 67 54.152 54.152 55.725 -1.573 18844 6652 1 18 . 1 1 67 67 LYS CB C 67 31.999 31.999 32.291 -0.292 18844 6653 1 18 . 1 1 67 67 LYS H H 67 7.955 7.955 8.150 -0.195 18844 6654 1 18 . 1 1 68 68 PRO HA H 68 4.169 4.169 4.735 -0.566 18844 6655 1 18 . 1 1 68 68 PRO CA C 68 64.389 64.389 65.032 -0.643 18844 6656 1 18 . 1 1 68 68 PRO CB C 68 32.214 32.214 32.248 -0.035 18844 6657 1 18 . 1 1 69 69 ASN N N 69 115.414 115.414 115.506 -0.092 18844 6658 1 18 . 1 1 69 69 ASN HA H 69 3.962 3.962 4.580 -0.618 18844 6659 1 18 . 1 1 69 69 ASN CA C 69 55.021 55.021 53.651 1.370 18844 6660 1 18 . 1 1 69 69 ASN CB C 69 37.047 37.047 37.318 -0.271 18844 6661 1 18 . 1 1 69 69 ASN H H 69 8.966 8.966 8.221 0.745 18844 6662 1 18 . 1 1 70 70 THR N N 70 115.426 115.426 116.025 -0.599 18844 6663 1 18 . 1 1 70 70 THR HA H 70 3.949 3.949 4.045 -0.096 18844 6664 1 18 . 1 1 70 70 THR CA C 70 65.247 65.247 63.852 1.395 18844 6665 1 18 . 1 1 70 70 THR CB C 70 70.132 70.132 68.900 1.232 18844 6666 1 18 . 1 1 70 70 THR H H 70 7.712 7.712 7.703 0.009 18844 6667 1 18 . 1 1 71 71 LYS N N 71 124.603 124.603 126.175 -1.572 18844 6668 1 18 . 1 1 71 71 LYS HA H 71 5.179 5.179 5.081 0.098 18844 6669 1 18 . 1 1 71 71 LYS CA C 71 55.340 55.340 55.540 -0.200 18844 6670 1 18 . 1 1 71 71 LYS CB C 71 33.729 33.729 34.166 -0.437 18844 6671 1 18 . 1 1 71 71 LYS H H 71 8.284 8.284 8.458 -0.174 18844 6672 1 18 . 1 1 72 72 ILE N N 72 123.505 123.505 123.733 -0.228 18844 6673 1 18 . 1 1 72 72 ILE HA H 72 4.511 4.511 4.387 0.124 18844 6674 1 18 . 1 1 72 72 ILE CA C 72 59.636 59.636 59.285 0.351 18844 6675 1 18 . 1 1 72 72 ILE CB C 72 40.827 40.827 39.434 1.393 18844 6676 1 18 . 1 1 72 72 ILE H H 72 9.142 9.142 8.463 0.679 18844 6677 1 18 . 1 1 73 73 MET N N 73 123.090 123.090 125.720 -2.630 18844 6678 1 18 . 1 1 73 73 MET HA H 73 5.122 5.122 5.171 -0.049 18844 6679 1 18 . 1 1 73 73 MET CA C 73 54.949 54.949 55.107 -0.158 18844 6680 1 18 . 1 1 73 73 MET CB C 73 35.143 35.143 35.177 -0.034 18844 6681 1 18 . 1 1 73 73 MET H H 73 8.556 8.556 8.887 -0.331 18844 6682 1 18 . 1 1 74 74 MET N N 74 124.481 124.481 121.281 3.200 18844 6683 1 18 . 1 1 74 74 MET HA H 74 5.288 5.288 4.848 0.441 18844 6684 1 18 . 1 1 74 74 MET CA C 74 54.862 54.862 55.035 -0.173 18844 6685 1 18 . 1 1 74 74 MET CB C 74 36.294 36.294 35.678 0.616 18844 6686 1 18 . 1 1 74 74 MET H H 74 8.924 8.924 8.721 0.203 18844 6687 1 18 . 1 1 75 75 MET N N 75 123.963 123.963 123.578 0.385 18844 6688 1 18 . 1 1 75 75 MET HA H 75 5.093 5.093 5.055 0.038 18844 6689 1 18 . 1 1 75 75 MET CA C 75 54.265 54.265 54.326 -0.061 18844 6690 1 18 . 1 1 75 75 MET CB C 75 35.566 35.566 34.119 1.447 18844 6691 1 18 . 1 1 75 75 MET H H 75 9.112 9.112 8.292 0.820 18844 6692 1 18 . 1 1 76 76 GLY N N 76 109.773 109.773 111.100 -1.327 18844 6693 1 18 . 1 1 76 76 GLY CA C 76 45.901 45.901 45.381 0.520 18844 6694 1 18 . 1 1 76 76 GLY H H 76 8.711 8.711 8.780 -0.069 18844 6695 1 18 . 1 1 77 77 THR N N 77 113.345 113.345 114.274 -0.929 18844 6696 1 18 . 1 1 77 77 THR HA H 77 4.787 4.787 4.669 0.118 18844 6697 1 18 . 1 1 77 77 THR CA C 77 60.728 60.728 60.201 0.527 18844 6698 1 18 . 1 1 77 77 THR CB C 77 71.481 71.481 70.666 0.815 18844 6699 1 18 . 1 1 77 77 THR H H 77 8.280 8.280 8.285 -0.005 18844 6700 1 18 . 1 1 78 78 ARG N N 78 122.844 122.844 126.009 -3.165 18844 6701 1 18 . 1 1 78 78 ARG HA H 78 4.148 4.148 4.154 -0.006 18844 6702 1 18 . 1 1 78 78 ARG CA C 78 56.881 56.881 56.495 0.386 18844 6703 1 18 . 1 1 78 78 ARG CB C 78 31.607 31.607 30.979 0.628 18844 6704 1 18 . 1 1 78 78 ARG H H 78 8.852 8.852 8.505 0.347 18844 6705 1 18 . 1 1 79 79 GLU N N 79 122.181 122.181 122.076 0.105 18844 6706 1 18 . 1 1 79 79 GLU HA H 79 4.206 4.206 4.125 0.081 18844 6707 1 18 . 1 1 79 79 GLU CA C 79 57.007 57.007 57.385 -0.378 18844 6708 1 18 . 1 1 79 79 GLU CB C 79 30.764 30.764 29.606 1.158 18844 6709 1 18 . 1 1 79 79 GLU H H 79 8.300 8.300 8.531 -0.231 18844 6710 1 18 . 1 1 80 80 GLU N N 80 126.965 126.965 120.972 5.993 18844 6711 1 18 . 1 1 80 80 GLU HA H 80 4.049 4.049 4.012 0.037 18844 6712 1 18 . 1 1 80 80 GLU CA C 80 58.328 58.328 57.377 0.951 18844 6713 1 18 . 1 1 80 80 GLU CB C 80 31.287 31.287 29.939 1.348 18844 6714 1 18 . 1 1 80 80 GLU H H 80 8.015 8.015 8.409 -0.394 18844 6715 1 19 . 1 1 2 2 ALA N N 2 126.014 126.014 124.237 1.777 18844 6716 1 19 . 1 1 2 2 ALA HA H 2 4.033 4.033 4.410 -0.377 18844 6717 1 19 . 1 1 2 2 ALA CA C 2 53.215 53.215 52.058 1.157 18844 6718 1 19 . 1 1 2 2 ALA CB C 2 19.376 19.376 19.292 0.084 18844 6719 1 19 . 1 1 2 2 ALA H H 2 8.410 8.410 8.197 0.213 18844 6720 1 19 . 1 1 3 3 LEU N N 3 123.255 123.255 124.682 -1.427 18844 6721 1 19 . 1 1 3 3 LEU HA H 3 4.646 4.646 4.672 -0.026 18844 6722 1 19 . 1 1 3 3 LEU CA C 3 51.817 51.817 51.676 0.141 18844 6723 1 19 . 1 1 3 3 LEU CB C 3 43.557 43.557 43.421 0.136 18844 6724 1 19 . 1 1 3 3 LEU H H 3 8.271 8.271 8.149 0.122 18844 6725 1 19 . 1 1 4 4 PRO HA H 4 4.606 4.606 4.591 0.015 18844 6726 1 19 . 1 1 4 4 PRO CA C 4 63.240 63.240 62.414 0.826 18844 6727 1 19 . 1 1 4 4 PRO CB C 4 32.070 32.070 32.942 -0.872 18844 6728 1 19 . 1 1 5 5 ILE N N 5 122.161 122.161 118.173 3.988 18844 6729 1 19 . 1 1 5 5 ILE HA H 5 4.359 4.359 4.835 -0.476 18844 6730 1 19 . 1 1 5 5 ILE CA C 5 60.833 60.833 60.465 0.368 18844 6731 1 19 . 1 1 5 5 ILE CB C 5 43.943 43.943 42.681 1.262 18844 6732 1 19 . 1 1 5 5 ILE H H 5 8.317 8.317 7.696 0.621 18844 6733 1 19 . 1 1 6 6 ILE N N 6 125.649 125.649 126.501 -0.852 18844 6734 1 19 . 1 1 6 6 ILE HA H 6 4.921 4.921 4.727 0.194 18844 6735 1 19 . 1 1 6 6 ILE CA C 6 59.865 59.865 60.892 -1.027 18844 6736 1 19 . 1 1 6 6 ILE CB C 6 40.264 40.264 40.379 -0.115 18844 6737 1 19 . 1 1 6 6 ILE H H 6 8.408 8.408 8.566 -0.158 18844 6738 1 19 . 1 1 7 7 VAL N N 7 125.741 125.741 126.893 -1.152 18844 6739 1 19 . 1 1 7 7 VAL HA H 7 4.930 4.930 4.730 0.200 18844 6740 1 19 . 1 1 7 7 VAL CA C 7 60.363 60.363 59.519 0.844 18844 6741 1 19 . 1 1 7 7 VAL CB C 7 34.759 34.759 34.972 -0.213 18844 6742 1 19 . 1 1 7 7 VAL H H 7 9.155 9.155 9.132 0.023 18844 6743 1 19 . 1 1 8 8 LYS N N 8 128.098 128.098 128.669 -0.571 18844 6744 1 19 . 1 1 8 8 LYS HA H 8 5.232 5.232 5.193 0.039 18844 6745 1 19 . 1 1 8 8 LYS CA C 8 55.275 55.275 54.748 0.527 18844 6746 1 19 . 1 1 8 8 LYS CB C 8 34.935 34.935 33.692 1.243 18844 6747 1 19 . 1 1 8 8 LYS H H 8 9.174 9.174 8.774 0.400 18844 6748 1 19 . 1 1 9 9 TRP N N 9 125.952 125.952 128.580 -2.628 18844 6749 1 19 . 1 1 9 9 TRP HA H 9 5.185 5.185 4.878 0.307 18844 6750 1 19 . 1 1 9 9 TRP CA C 9 57.734 57.734 56.717 1.017 18844 6751 1 19 . 1 1 9 9 TRP CB C 9 31.561 31.561 30.875 0.686 18844 6752 1 19 . 1 1 9 9 TRP H H 9 8.844 8.844 8.433 0.411 18844 6753 1 19 . 1 1 10 10 GLY N N 10 117.044 117.044 116.261 0.783 18844 6754 1 19 . 1 1 10 10 GLY CA C 10 47.101 47.101 45.242 1.859 18844 6755 1 19 . 1 1 10 10 GLY H H 10 8.683 8.683 8.582 0.101 18844 6756 1 19 . 1 1 11 11 GLY N N 11 109.364 109.364 110.159 -0.795 18844 6757 1 19 . 1 1 11 11 GLY CA C 11 45.460 45.460 45.392 0.068 18844 6758 1 19 . 1 1 11 11 GLY H H 11 8.600 8.600 8.164 0.436 18844 6759 1 19 . 1 1 12 12 GLN N N 12 119.388 119.388 118.844 0.544 18844 6760 1 19 . 1 1 12 12 GLN HA H 12 4.483 4.483 4.628 -0.145 18844 6761 1 19 . 1 1 12 12 GLN CA C 12 54.502 54.502 54.538 -0.035 18844 6762 1 19 . 1 1 12 12 GLN CB C 12 32.178 32.178 32.041 0.137 18844 6763 1 19 . 1 1 12 12 GLN H H 12 7.865 7.865 7.841 0.024 18844 6764 1 19 . 1 1 13 13 GLU N N 13 119.756 119.756 118.603 1.153 18844 6765 1 19 . 1 1 13 13 GLU HA H 13 4.880 4.880 4.851 0.029 18844 6766 1 19 . 1 1 13 13 GLU CA C 13 55.655 55.655 55.346 0.309 18844 6767 1 19 . 1 1 13 13 GLU CB C 13 32.306 32.306 32.601 -0.295 18844 6768 1 19 . 1 1 13 13 GLU H H 13 8.172 8.172 8.394 -0.222 18844 6769 1 19 . 1 1 14 14 TYR N N 14 122.812 122.812 121.609 1.203 18844 6770 1 19 . 1 1 14 14 TYR HA H 14 4.601 4.601 4.782 -0.181 18844 6771 1 19 . 1 1 14 14 TYR CA C 14 57.246 57.246 56.807 0.438 18844 6772 1 19 . 1 1 14 14 TYR CB C 14 40.544 40.544 41.105 -0.562 18844 6773 1 19 . 1 1 14 14 TYR H H 14 9.381 9.381 8.805 0.576 18844 6774 1 19 . 1 1 15 15 SER N N 15 118.339 118.339 119.344 -1.005 18844 6775 1 19 . 1 1 15 15 SER HA H 15 4.747 4.747 4.603 0.144 18844 6776 1 19 . 1 1 15 15 SER CA C 15 58.099 58.099 58.039 0.059 18844 6777 1 19 . 1 1 15 15 SER CB C 15 63.394 63.394 63.802 -0.408 18844 6778 1 19 . 1 1 15 15 SER H H 15 8.802 8.802 8.656 0.146 18844 6779 1 19 . 1 1 16 16 VAL N N 16 128.611 128.611 124.881 3.730 18844 6780 1 19 . 1 1 16 16 VAL HA H 16 4.205 4.205 4.352 -0.147 18844 6781 1 19 . 1 1 16 16 VAL CA C 16 62.344 62.344 62.440 -0.096 18844 6782 1 19 . 1 1 16 16 VAL CB C 16 32.528 32.528 33.228 -0.700 18844 6783 1 19 . 1 1 16 16 VAL H H 16 9.005 9.005 8.804 0.201 18844 6784 1 19 . 1 1 17 17 THR N N 17 116.170 116.170 118.620 -2.450 18844 6785 1 19 . 1 1 17 17 THR HA H 17 4.533 4.533 4.674 -0.141 18844 6786 1 19 . 1 1 17 17 THR CA C 17 62.331 62.331 61.772 0.559 18844 6787 1 19 . 1 1 17 17 THR CB C 17 70.040 70.040 68.820 1.220 18844 6788 1 19 . 1 1 17 17 THR H H 17 8.746 8.746 8.590 0.156 18844 6789 1 19 . 1 1 18 18 THR N N 18 107.517 107.517 116.198 -8.681 18844 6790 1 19 . 1 1 18 18 THR HA H 18 4.173 4.173 4.157 0.016 18844 6791 1 19 . 1 1 18 18 THR CA C 18 61.772 61.772 62.958 -1.186 18844 6792 1 19 . 1 1 18 18 THR CB C 18 69.121 69.121 68.911 0.210 18844 6793 1 19 . 1 1 18 18 THR H H 18 6.812 6.812 8.055 -1.243 18844 6794 1 19 . 1 1 19 19 LEU N N 19 123.019 123.019 123.099 -0.080 18844 6795 1 19 . 1 1 19 19 LEU HA H 19 4.583 4.583 4.317 0.266 18844 6796 1 19 . 1 1 19 19 LEU CA C 19 54.180 54.180 54.201 -0.021 18844 6797 1 19 . 1 1 19 19 LEU CB C 19 42.711 42.711 42.905 -0.194 18844 6798 1 19 . 1 1 19 19 LEU H H 19 8.388 8.388 7.823 0.565 18844 6799 1 19 . 1 1 20 20 SER N N 20 117.870 117.870 114.837 3.033 18844 6800 1 19 . 1 1 20 20 SER HA H 20 4.863 4.863 4.832 0.031 18844 6801 1 19 . 1 1 20 20 SER CA C 20 56.832 56.832 56.810 0.022 18844 6802 1 19 . 1 1 20 20 SER CB C 20 67.845 67.845 66.448 1.397 18844 6803 1 19 . 1 1 20 20 SER H H 20 9.714 9.714 8.673 1.041 18844 6804 1 19 . 1 1 21 21 GLU N N 21 116.130 116.130 121.095 -4.965 18844 6805 1 19 . 1 1 21 21 GLU HA H 21 3.740 3.740 3.965 -0.225 18844 6806 1 19 . 1 1 21 21 GLU CA C 21 59.134 59.134 59.537 -0.403 18844 6807 1 19 . 1 1 21 21 GLU CB C 21 30.854 30.854 29.163 1.692 18844 6808 1 19 . 1 1 21 21 GLU H H 21 8.491 8.491 9.131 -0.640 18844 6809 1 19 . 1 1 22 22 ASP N N 22 115.741 115.741 117.976 -2.235 18844 6810 1 19 . 1 1 22 22 ASP HA H 22 4.650 4.650 4.516 0.134 18844 6811 1 19 . 1 1 22 22 ASP CA C 22 55.156 55.156 55.717 -0.561 18844 6812 1 19 . 1 1 22 22 ASP CB C 22 42.579 42.579 40.681 1.898 18844 6813 1 19 . 1 1 22 22 ASP H H 22 7.936 7.936 8.436 -0.500 18844 6814 1 19 . 1 1 23 23 ASP N N 23 119.945 119.945 118.494 1.451 18844 6815 1 19 . 1 1 23 23 ASP HA H 23 4.841 4.841 4.760 0.081 18844 6816 1 19 . 1 1 23 23 ASP CA C 23 55.223 55.223 54.102 1.121 18844 6817 1 19 . 1 1 23 23 ASP CB C 23 42.782 42.782 42.508 0.274 18844 6818 1 19 . 1 1 23 23 ASP H H 23 7.313 7.313 8.107 -0.794 18844 6819 1 19 . 1 1 24 24 THR N N 24 107.918 107.918 108.989 -1.071 18844 6820 1 19 . 1 1 24 24 THR HA H 24 5.328 5.328 4.842 0.486 18844 6821 1 19 . 1 1 24 24 THR CA C 24 60.989 60.989 59.972 1.017 18844 6822 1 19 . 1 1 24 24 THR CB C 24 74.287 74.287 72.499 1.788 18844 6823 1 19 . 1 1 24 24 THR H H 24 9.630 9.630 7.738 1.892 18844 6824 1 19 . 1 1 25 25 VAL N N 25 120.192 120.192 121.069 -0.877 18844 6825 1 19 . 1 1 25 25 VAL HA H 25 3.334 3.334 3.697 -0.363 18844 6826 1 19 . 1 1 25 25 VAL CA C 25 67.626 67.626 67.272 0.353 18844 6827 1 19 . 1 1 25 25 VAL CB C 25 32.149 32.149 31.693 0.456 18844 6828 1 19 . 1 1 25 25 VAL H H 25 8.260 8.260 8.615 -0.355 18844 6829 1 19 . 1 1 26 26 LEU N N 26 119.941 119.941 118.499 1.442 18844 6830 1 19 . 1 1 26 26 LEU HA H 26 3.872 3.872 4.004 -0.132 18844 6831 1 19 . 1 1 26 26 LEU CA C 26 58.592 58.592 58.198 0.394 18844 6832 1 19 . 1 1 26 26 LEU CB C 26 41.716 41.716 41.227 0.489 18844 6833 1 19 . 1 1 26 26 LEU H H 26 8.523 8.523 7.303 1.220 18844 6834 1 19 . 1 1 27 27 ASP N N 27 118.322 118.322 118.754 -0.432 18844 6835 1 19 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.419 -0.146 18844 6836 1 19 . 1 1 27 27 ASP CA C 27 58.663 58.663 56.842 1.821 18844 6837 1 19 . 1 1 27 27 ASP CB C 27 40.931 40.931 40.533 0.398 18844 6838 1 19 . 1 1 27 27 ASP H H 27 7.581 7.581 8.322 -0.741 18844 6839 1 19 . 1 1 28 28 LEU N N 28 122.021 122.021 120.105 1.916 18844 6840 1 19 . 1 1 28 28 LEU HA H 28 4.083 4.083 4.210 -0.127 18844 6841 1 19 . 1 1 28 28 LEU CA C 28 58.772 58.772 57.600 1.172 18844 6842 1 19 . 1 1 28 28 LEU CB C 28 41.225 41.225 42.373 -1.148 18844 6843 1 19 . 1 1 28 28 LEU H H 28 7.837 7.837 7.375 0.462 18844 6844 1 19 . 1 1 29 29 LYS N N 29 119.086 119.086 119.631 -0.545 18844 6845 1 19 . 1 1 29 29 LYS HA H 29 4.520 4.520 3.944 0.576 18844 6846 1 19 . 1 1 29 29 LYS CA C 29 59.787 59.787 60.627 -0.840 18844 6847 1 19 . 1 1 29 29 LYS CB C 29 34.297 34.297 32.167 2.130 18844 6848 1 19 . 1 1 29 29 LYS H H 29 8.467 8.467 8.585 -0.118 18844 6849 1 19 . 1 1 30 30 GLN N N 30 119.268 119.268 118.760 0.508 18844 6850 1 19 . 1 1 30 30 GLN HA H 30 3.932 3.932 4.038 -0.106 18844 6851 1 19 . 1 1 30 30 GLN CA C 30 59.663 59.663 58.566 1.097 18844 6852 1 19 . 1 1 30 30 GLN CB C 30 27.806 27.806 28.026 -0.221 18844 6853 1 19 . 1 1 30 30 GLN H H 30 9.049 9.049 7.984 1.065 18844 6854 1 19 . 1 1 31 31 PHE N N 31 121.690 121.690 120.323 1.367 18844 6855 1 19 . 1 1 31 31 PHE HA H 31 4.218 4.218 4.300 -0.082 18844 6856 1 19 . 1 1 31 31 PHE CA C 31 61.967 61.967 60.510 1.457 18844 6857 1 19 . 1 1 31 31 PHE CB C 31 39.374 39.374 39.607 -0.233 18844 6858 1 19 . 1 1 31 31 PHE H H 31 8.039 8.039 7.434 0.605 18844 6859 1 19 . 1 1 32 32 LEU N N 32 118.232 118.232 118.041 0.191 18844 6860 1 19 . 1 1 32 32 LEU HA H 32 3.637 3.637 3.907 -0.270 18844 6861 1 19 . 1 1 32 32 LEU CA C 32 57.708 57.708 58.156 -0.448 18844 6862 1 19 . 1 1 32 32 LEU CB C 32 41.270 41.270 41.286 -0.016 18844 6863 1 19 . 1 1 32 32 LEU H H 32 8.776 8.776 8.408 0.368 18844 6864 1 19 . 1 1 33 33 LYS N N 33 125.920 125.920 118.717 7.203 18844 6865 1 19 . 1 1 33 33 LYS HA H 33 3.802 3.802 3.883 -0.081 18844 6866 1 19 . 1 1 33 33 LYS CA C 33 60.116 60.116 59.145 0.972 18844 6867 1 19 . 1 1 33 33 LYS CB C 33 31.701 31.701 31.573 0.128 18844 6868 1 19 . 1 1 33 33 LYS H H 33 8.237 8.237 8.480 -0.243 18844 6869 1 19 . 1 1 34 34 THR N N 34 114.544 114.544 112.089 2.455 18844 6870 1 19 . 1 1 34 34 THR HA H 34 3.773 3.773 4.092 -0.319 18844 6871 1 19 . 1 1 34 34 THR CA C 34 65.749 65.749 64.544 1.205 18844 6872 1 19 . 1 1 34 34 THR CB C 34 68.620 68.620 68.769 -0.149 18844 6873 1 19 . 1 1 34 34 THR H H 34 7.281 7.281 7.089 0.192 18844 6874 1 19 . 1 1 35 35 LEU N N 35 117.590 117.590 120.609 -3.019 18844 6875 1 19 . 1 1 35 35 LEU HA H 35 4.018 4.018 4.126 -0.108 18844 6876 1 19 . 1 1 35 35 LEU CA C 35 57.015 57.015 57.152 -0.137 18844 6877 1 19 . 1 1 35 35 LEU CB C 35 44.003 44.003 42.463 1.540 18844 6878 1 19 . 1 1 35 35 LEU H H 35 6.752 6.752 7.603 -0.851 18844 6879 1 19 . 1 1 36 36 THR N N 36 104.865 104.865 109.792 -4.927 18844 6880 1 19 . 1 1 36 36 THR HA H 36 3.967 3.967 4.337 -0.370 18844 6881 1 19 . 1 1 36 36 THR CA C 36 62.756 62.756 62.250 0.506 18844 6882 1 19 . 1 1 36 36 THR CB C 36 72.343 72.343 70.047 2.296 18844 6883 1 19 . 1 1 36 36 THR H H 36 7.675 7.675 7.638 0.037 18844 6884 1 19 . 1 1 37 37 GLY N N 37 109.795 109.795 109.461 0.334 18844 6885 1 19 . 1 1 37 37 GLY CA C 37 45.559 45.559 44.485 1.074 18844 6886 1 19 . 1 1 37 37 GLY H H 37 7.971 7.971 7.357 0.614 18844 6887 1 19 . 1 1 38 38 VAL N N 38 122.557 122.557 118.897 3.660 18844 6888 1 19 . 1 1 38 38 VAL HA H 38 3.638 3.638 4.035 -0.397 18844 6889 1 19 . 1 1 38 38 VAL CA C 38 62.437 62.437 60.366 2.071 18844 6890 1 19 . 1 1 38 38 VAL CB C 38 31.390 31.390 33.541 -2.151 18844 6891 1 19 . 1 1 38 38 VAL H H 38 7.533 7.533 7.471 0.062 18844 6892 1 19 . 1 1 39 39 LEU N N 39 127.828 127.828 122.740 5.088 18844 6893 1 19 . 1 1 39 39 LEU HA H 39 3.994 3.994 4.392 -0.398 18844 6894 1 19 . 1 1 39 39 LEU CA C 39 54.437 54.437 53.288 1.149 18844 6895 1 19 . 1 1 39 39 LEU CB C 39 40.557 40.557 40.106 0.451 18844 6896 1 19 . 1 1 39 39 LEU H H 39 8.634 8.634 8.324 0.310 18844 6897 1 19 . 1 1 40 40 PRO HA H 40 3.839 3.839 4.559 -0.720 18844 6898 1 19 . 1 1 40 40 PRO CA C 40 66.989 66.989 64.721 2.268 18844 6899 1 19 . 1 1 40 40 PRO CB C 40 32.322 32.322 31.977 0.345 18844 6900 1 19 . 1 1 41 41 GLU N N 41 114.752 114.752 118.022 -3.270 18844 6901 1 19 . 1 1 41 41 GLU HA H 41 4.071 4.071 4.073 -0.002 18844 6902 1 19 . 1 1 41 41 GLU CA C 41 58.938 58.938 58.538 0.401 18844 6903 1 19 . 1 1 41 41 GLU CB C 41 28.824 28.824 29.453 -0.629 18844 6904 1 19 . 1 1 41 41 GLU H H 41 9.746 9.746 8.678 1.068 18844 6905 1 19 . 1 1 42 42 ARG N N 42 118.145 118.145 115.899 2.246 18844 6906 1 19 . 1 1 42 42 ARG HA H 42 4.315 4.315 4.408 -0.093 18844 6907 1 19 . 1 1 42 42 ARG CA C 42 55.448 55.448 56.887 -1.439 18844 6908 1 19 . 1 1 42 42 ARG CB C 42 31.105 31.105 31.935 -0.830 18844 6909 1 19 . 1 1 42 42 ARG H H 42 7.938 7.938 7.547 0.391 18844 6910 1 19 . 1 1 43 43 GLN N N 43 118.250 118.250 117.911 0.339 18844 6911 1 19 . 1 1 43 43 GLN HA H 43 4.251 4.251 4.724 -0.473 18844 6912 1 19 . 1 1 43 43 GLN CA C 43 56.537 56.537 54.668 1.869 18844 6913 1 19 . 1 1 43 43 GLN CB C 43 30.992 30.992 31.291 -0.299 18844 6914 1 19 . 1 1 43 43 GLN H H 43 7.034 7.034 7.790 -0.756 18844 6915 1 19 . 1 1 44 44 LYS N N 44 122.693 122.693 120.898 1.795 18844 6916 1 19 . 1 1 44 44 LYS HA H 44 4.464 4.464 4.710 -0.246 18844 6917 1 19 . 1 1 44 44 LYS CA C 44 55.552 55.552 53.924 1.628 18844 6918 1 19 . 1 1 44 44 LYS CB C 44 34.325 34.325 34.914 -0.589 18844 6919 1 19 . 1 1 44 44 LYS H H 44 8.806 8.806 8.761 0.045 18844 6920 1 19 . 1 1 45 45 LEU N N 45 124.806 124.806 124.480 0.326 18844 6921 1 19 . 1 1 45 45 LEU HA H 45 4.943 4.943 4.282 0.661 18844 6922 1 19 . 1 1 45 45 LEU CA C 45 53.542 53.542 55.222 -1.680 18844 6923 1 19 . 1 1 45 45 LEU CB C 45 41.821 41.821 40.934 0.887 18844 6924 1 19 . 1 1 45 45 LEU H H 45 8.704 8.704 8.756 -0.052 18844 6925 1 19 . 1 1 46 46 LEU N N 46 124.709 124.709 126.139 -1.430 18844 6926 1 19 . 1 1 46 46 LEU HA H 46 4.358 4.358 4.371 -0.013 18844 6927 1 19 . 1 1 46 46 LEU CA C 46 55.759 55.759 56.877 -1.118 18844 6928 1 19 . 1 1 46 46 LEU CB C 46 42.526 42.526 41.668 0.858 18844 6929 1 19 . 1 1 46 46 LEU H H 46 8.751 8.751 7.882 0.869 18844 6930 1 19 . 1 1 47 47 GLY N N 47 109.276 109.276 107.168 2.108 18844 6931 1 19 . 1 1 47 47 GLY CA C 47 45.560 45.560 44.718 0.842 18844 6932 1 19 . 1 1 47 47 GLY H H 47 8.300 8.300 8.397 -0.097 18844 6933 1 19 . 1 1 48 48 LEU N N 48 119.707 119.707 117.210 2.497 18844 6934 1 19 . 1 1 48 48 LEU HA H 48 4.590 4.590 4.190 0.400 18844 6935 1 19 . 1 1 48 48 LEU CA C 48 53.945 53.945 56.496 -2.551 18844 6936 1 19 . 1 1 48 48 LEU CB C 48 41.414 41.414 42.131 -0.717 18844 6937 1 19 . 1 1 48 48 LEU H H 48 7.581 7.581 7.393 0.188 18844 6938 1 19 . 1 1 49 49 LYS N N 49 124.527 124.527 118.357 6.170 18844 6939 1 19 . 1 1 49 49 LYS HA H 49 4.852 4.852 4.576 0.276 18844 6940 1 19 . 1 1 49 49 LYS CA C 49 55.663 55.663 55.037 0.626 18844 6941 1 19 . 1 1 49 49 LYS CB C 49 37.581 37.581 34.439 3.142 18844 6942 1 19 . 1 1 49 49 LYS H H 49 8.606 8.606 7.336 1.270 18844 6943 1 19 . 1 1 50 50 VAL N N 50 119.184 119.184 120.967 -1.783 18844 6944 1 19 . 1 1 50 50 VAL HA H 50 4.113 4.113 4.297 -0.184 18844 6945 1 19 . 1 1 50 50 VAL CA C 50 61.865 61.865 61.529 0.336 18844 6946 1 19 . 1 1 50 50 VAL CB C 50 34.734 34.734 35.692 -0.958 18844 6947 1 19 . 1 1 50 50 VAL H H 50 8.799 8.799 8.682 0.117 18844 6948 1 19 . 1 1 51 51 LYS N N 51 127.069 127.069 125.337 1.732 18844 6949 1 19 . 1 1 51 51 LYS HA H 51 3.824 3.824 3.932 -0.108 18844 6950 1 19 . 1 1 51 51 LYS CA C 51 57.407 57.407 56.859 0.548 18844 6951 1 19 . 1 1 51 51 LYS CB C 51 30.655 30.655 30.800 -0.145 18844 6952 1 19 . 1 1 51 51 LYS H H 51 9.451 9.451 9.148 0.303 18844 6953 1 19 . 1 1 52 52 GLY N N 52 102.671 102.671 103.508 -0.837 18844 6954 1 19 . 1 1 52 52 GLY CA C 52 45.810 45.810 45.068 0.742 18844 6955 1 19 . 1 1 52 52 GLY H H 52 8.512 8.512 8.170 0.342 18844 6956 1 19 . 1 1 53 53 LYS N N 53 121.307 121.307 122.052 -0.745 18844 6957 1 19 . 1 1 53 53 LYS HA H 53 4.829 4.829 4.662 0.167 18844 6958 1 19 . 1 1 53 53 LYS CA C 53 53.616 53.616 52.954 0.662 18844 6959 1 19 . 1 1 53 53 LYS CB C 53 33.940 33.940 32.634 1.306 18844 6960 1 19 . 1 1 53 53 LYS H H 53 7.781 7.781 7.831 -0.050 18844 6961 1 19 . 1 1 54 54 PRO HA H 54 4.376 4.376 4.298 0.078 18844 6962 1 19 . 1 1 54 54 PRO CA C 54 63.817 63.817 64.171 -0.354 18844 6963 1 19 . 1 1 54 54 PRO CB C 54 32.151 32.151 31.908 0.243 18844 6964 1 19 . 1 1 55 55 ALA N N 55 125.654 125.654 118.591 7.063 18844 6965 1 19 . 1 1 55 55 ALA HA H 55 4.138 4.138 3.933 0.205 18844 6966 1 19 . 1 1 55 55 ALA CA C 55 52.664 52.664 52.903 -0.239 18844 6967 1 19 . 1 1 55 55 ALA CB C 55 20.044 20.044 17.899 2.144 18844 6968 1 19 . 1 1 55 55 ALA H H 55 8.114 8.114 8.100 0.014 18844 6969 1 19 . 1 1 56 56 GLU N N 56 122.313 122.313 118.246 4.067 18844 6970 1 19 . 1 1 56 56 GLU HA H 56 4.215 4.215 4.044 0.171 18844 6971 1 19 . 1 1 56 56 GLU CA C 56 56.089 56.089 59.262 -3.173 18844 6972 1 19 . 1 1 56 56 GLU CB C 56 31.086 31.086 30.193 0.893 18844 6973 1 19 . 1 1 56 56 GLU H H 56 8.179 8.179 8.631 -0.452 18844 6974 1 19 . 1 1 57 57 ASN N N 57 115.140 115.140 109.957 5.183 18844 6975 1 19 . 1 1 57 57 ASN HA H 57 4.229 4.229 4.684 -0.455 18844 6976 1 19 . 1 1 57 57 ASN CA C 57 55.199 55.199 54.083 1.116 18844 6977 1 19 . 1 1 57 57 ASN CB C 57 39.227 39.227 38.771 0.456 18844 6978 1 19 . 1 1 57 57 ASN H H 57 8.504 8.504 7.966 0.538 18844 6979 1 19 . 1 1 58 58 ASP N N 58 112.832 112.832 119.689 -6.857 18844 6980 1 19 . 1 1 58 58 ASP HA H 58 4.488 4.488 4.584 -0.096 18844 6981 1 19 . 1 1 58 58 ASP CA C 58 53.608 53.608 55.371 -1.763 18844 6982 1 19 . 1 1 58 58 ASP CB C 58 40.304 40.304 40.868 -0.564 18844 6983 1 19 . 1 1 58 58 ASP H H 58 8.198 8.198 8.571 -0.373 18844 6984 1 19 . 1 1 59 59 VAL N N 59 122.073 122.073 119.257 2.816 18844 6985 1 19 . 1 1 59 59 VAL HA H 59 3.593 3.593 4.139 -0.546 18844 6986 1 19 . 1 1 59 59 VAL CA C 59 63.840 63.840 61.152 2.688 18844 6987 1 19 . 1 1 59 59 VAL CB C 59 32.322 32.322 32.779 -0.457 18844 6988 1 19 . 1 1 59 59 VAL H H 59 7.353 7.353 7.517 -0.164 18844 6989 1 19 . 1 1 60 60 LYS N N 60 125.064 125.064 123.689 1.375 18844 6990 1 19 . 1 1 60 60 LYS HA H 60 4.447 4.447 4.544 -0.097 18844 6991 1 19 . 1 1 60 60 LYS CA C 60 56.185 56.185 55.510 0.675 18844 6992 1 19 . 1 1 60 60 LYS CB C 60 33.105 33.105 33.498 -0.393 18844 6993 1 19 . 1 1 60 60 LYS H H 60 8.339 8.339 8.329 0.010 18844 6994 1 19 . 1 1 61 61 LEU N N 61 121.612 121.612 122.772 -1.160 18844 6995 1 19 . 1 1 61 61 LEU HA H 61 3.776 3.776 3.995 -0.219 18844 6996 1 19 . 1 1 61 61 LEU CA C 61 57.987 57.987 57.926 0.061 18844 6997 1 19 . 1 1 61 61 LEU CB C 61 40.832 40.832 41.713 -0.881 18844 6998 1 19 . 1 1 61 61 LEU H H 61 9.423 9.423 8.890 0.533 18844 6999 1 19 . 1 1 62 62 GLY N N 62 104.008 104.008 103.428 0.580 18844 7000 1 19 . 1 1 62 62 GLY CA C 62 46.772 46.772 45.708 1.064 18844 7001 1 19 . 1 1 62 62 GLY H H 62 9.107 9.107 7.883 1.224 18844 7002 1 19 . 1 1 63 63 ALA N N 63 122.025 122.025 122.525 -0.500 18844 7003 1 19 . 1 1 63 63 ALA HA H 63 4.273 4.273 4.431 -0.158 18844 7004 1 19 . 1 1 63 63 ALA CA C 63 53.421 53.421 53.253 0.168 18844 7005 1 19 . 1 1 63 63 ALA CB C 63 18.816 18.816 18.949 -0.133 18844 7006 1 19 . 1 1 63 63 ALA H H 63 7.755 7.755 7.639 0.116 18844 7007 1 19 . 1 1 64 64 LEU N N 64 115.454 115.454 115.512 -0.058 18844 7008 1 19 . 1 1 64 64 LEU HA H 64 4.068 4.068 4.269 -0.201 18844 7009 1 19 . 1 1 64 64 LEU CA C 64 55.567 55.567 54.980 0.588 18844 7010 1 19 . 1 1 64 64 LEU CB C 64 42.136 42.136 42.295 -0.159 18844 7011 1 19 . 1 1 64 64 LEU H H 64 7.214 7.214 7.301 -0.087 18844 7012 1 19 . 1 1 65 65 LYS N N 65 114.830 114.830 114.517 0.313 18844 7013 1 19 . 1 1 65 65 LYS HA H 65 3.838 3.838 3.879 -0.041 18844 7014 1 19 . 1 1 65 65 LYS CA C 65 56.737 56.737 56.621 0.116 18844 7015 1 19 . 1 1 65 65 LYS CB C 65 29.307 29.307 29.294 0.013 18844 7016 1 19 . 1 1 65 65 LYS H H 65 7.642 7.642 7.691 -0.049 18844 7017 1 19 . 1 1 66 66 LEU N N 66 119.305 119.305 119.550 -0.245 18844 7018 1 19 . 1 1 66 66 LEU HA H 66 4.163 4.163 4.308 -0.145 18844 7019 1 19 . 1 1 66 66 LEU CA C 66 54.847 54.847 54.553 0.294 18844 7020 1 19 . 1 1 66 66 LEU CB C 66 42.712 42.712 43.096 -0.383 18844 7021 1 19 . 1 1 66 66 LEU H H 66 8.516 8.516 7.637 0.879 18844 7022 1 19 . 1 1 67 67 LYS N N 67 121.480 121.480 122.950 -1.470 18844 7023 1 19 . 1 1 67 67 LYS HA H 67 4.497 4.497 4.398 0.099 18844 7024 1 19 . 1 1 67 67 LYS CA C 67 54.152 54.152 55.696 -1.544 18844 7025 1 19 . 1 1 67 67 LYS CB C 67 31.999 31.999 32.301 -0.302 18844 7026 1 19 . 1 1 67 67 LYS H H 67 7.955 7.955 8.088 -0.133 18844 7027 1 19 . 1 1 68 68 PRO HA H 68 4.169 4.169 4.672 -0.503 18844 7028 1 19 . 1 1 68 68 PRO CA C 68 64.389 64.389 65.131 -0.742 18844 7029 1 19 . 1 1 68 68 PRO CB C 68 32.214 32.214 32.188 0.027 18844 7030 1 19 . 1 1 69 69 ASN N N 69 115.414 115.414 115.840 -0.426 18844 7031 1 19 . 1 1 69 69 ASN HA H 69 3.962 3.962 4.541 -0.579 18844 7032 1 19 . 1 1 69 69 ASN CA C 69 55.021 55.021 53.895 1.126 18844 7033 1 19 . 1 1 69 69 ASN CB C 69 37.047 37.047 37.348 -0.301 18844 7034 1 19 . 1 1 69 69 ASN H H 69 8.966 8.966 8.298 0.668 18844 7035 1 19 . 1 1 70 70 THR N N 70 115.426 115.426 117.192 -1.766 18844 7036 1 19 . 1 1 70 70 THR HA H 70 3.949 3.949 4.079 -0.130 18844 7037 1 19 . 1 1 70 70 THR CA C 70 65.247 65.247 64.088 1.159 18844 7038 1 19 . 1 1 70 70 THR CB C 70 70.132 70.132 69.650 0.482 18844 7039 1 19 . 1 1 70 70 THR H H 70 7.712 7.712 7.776 -0.064 18844 7040 1 19 . 1 1 71 71 LYS N N 71 124.603 124.603 125.296 -0.693 18844 7041 1 19 . 1 1 71 71 LYS HA H 71 5.179 5.179 5.036 0.143 18844 7042 1 19 . 1 1 71 71 LYS CA C 71 55.340 55.340 55.335 0.005 18844 7043 1 19 . 1 1 71 71 LYS CB C 71 33.729 33.729 34.078 -0.349 18844 7044 1 19 . 1 1 71 71 LYS H H 71 8.284 8.284 8.276 0.008 18844 7045 1 19 . 1 1 72 72 ILE N N 72 123.505 123.505 123.702 -0.197 18844 7046 1 19 . 1 1 72 72 ILE HA H 72 4.511 4.511 4.382 0.129 18844 7047 1 19 . 1 1 72 72 ILE CA C 72 59.636 59.636 59.274 0.362 18844 7048 1 19 . 1 1 72 72 ILE CB C 72 40.827 40.827 39.428 1.399 18844 7049 1 19 . 1 1 72 72 ILE H H 72 9.142 9.142 8.438 0.704 18844 7050 1 19 . 1 1 73 73 MET N N 73 123.090 123.090 125.898 -2.808 18844 7051 1 19 . 1 1 73 73 MET HA H 73 5.122 5.122 5.126 -0.004 18844 7052 1 19 . 1 1 73 73 MET CA C 73 54.949 54.949 55.232 -0.283 18844 7053 1 19 . 1 1 73 73 MET CB C 73 35.143 35.143 35.021 0.122 18844 7054 1 19 . 1 1 73 73 MET H H 73 8.556 8.556 8.894 -0.338 18844 7055 1 19 . 1 1 74 74 MET N N 74 124.481 124.481 120.924 3.557 18844 7056 1 19 . 1 1 74 74 MET HA H 74 5.288 5.288 4.981 0.307 18844 7057 1 19 . 1 1 74 74 MET CA C 74 54.862 54.862 55.152 -0.290 18844 7058 1 19 . 1 1 74 74 MET CB C 74 36.294 36.294 35.731 0.562 18844 7059 1 19 . 1 1 74 74 MET H H 74 8.924 8.924 8.625 0.299 18844 7060 1 19 . 1 1 75 75 MET N N 75 123.963 123.963 122.671 1.292 18844 7061 1 19 . 1 1 75 75 MET HA H 75 5.093 5.093 5.041 0.052 18844 7062 1 19 . 1 1 75 75 MET CA C 75 54.265 54.265 54.329 -0.064 18844 7063 1 19 . 1 1 75 75 MET CB C 75 35.566 35.566 34.886 0.680 18844 7064 1 19 . 1 1 75 75 MET H H 75 9.112 9.112 8.674 0.438 18844 7065 1 19 . 1 1 76 76 GLY N N 76 109.773 109.773 111.644 -1.871 18844 7066 1 19 . 1 1 76 76 GLY CA C 76 45.901 45.901 45.259 0.642 18844 7067 1 19 . 1 1 76 76 GLY H H 76 8.711 8.711 8.718 -0.007 18844 7068 1 19 . 1 1 77 77 THR N N 77 113.345 113.345 115.053 -1.708 18844 7069 1 19 . 1 1 77 77 THR HA H 77 4.787 4.787 4.634 0.153 18844 7070 1 19 . 1 1 77 77 THR CA C 77 60.728 60.728 59.860 0.868 18844 7071 1 19 . 1 1 77 77 THR CB C 77 71.481 71.481 70.566 0.916 18844 7072 1 19 . 1 1 77 77 THR H H 77 8.280 8.280 8.170 0.110 18844 7073 1 19 . 1 1 78 78 ARG N N 78 122.844 122.844 126.442 -3.598 18844 7074 1 19 . 1 1 78 78 ARG HA H 78 4.148 4.148 4.493 -0.345 18844 7075 1 19 . 1 1 78 78 ARG CA C 78 56.881 56.881 54.639 2.242 18844 7076 1 19 . 1 1 78 78 ARG CB C 78 31.607 31.607 31.176 0.431 18844 7077 1 19 . 1 1 78 78 ARG H H 78 8.852 8.852 8.302 0.550 18844 7078 1 19 . 1 1 79 79 GLU N N 79 122.181 122.181 121.459 0.722 18844 7079 1 19 . 1 1 79 79 GLU HA H 79 4.206 4.206 4.146 0.060 18844 7080 1 19 . 1 1 79 79 GLU CA C 79 57.007 57.007 56.387 0.620 18844 7081 1 19 . 1 1 79 79 GLU CB C 79 30.764 30.764 30.111 0.653 18844 7082 1 19 . 1 1 79 79 GLU H H 79 8.300 8.300 8.288 0.012 18844 7083 1 19 . 1 1 80 80 GLU N N 80 126.965 126.965 120.132 6.833 18844 7084 1 19 . 1 1 80 80 GLU HA H 80 4.049 4.049 4.061 -0.012 18844 7085 1 19 . 1 1 80 80 GLU CA C 80 58.328 58.328 58.180 0.148 18844 7086 1 19 . 1 1 80 80 GLU CB C 80 31.287 31.287 29.660 1.627 18844 7087 1 19 . 1 1 80 80 GLU H H 80 8.015 8.015 8.691 -0.676 18844 7088 1 20 . 1 1 2 2 ALA N N 2 126.014 126.014 122.849 3.165 18844 7089 1 20 . 1 1 2 2 ALA HA H 2 4.033 4.033 4.544 -0.511 18844 7090 1 20 . 1 1 2 2 ALA CA C 2 53.215 53.215 51.661 1.554 18844 7091 1 20 . 1 1 2 2 ALA CB C 2 19.376 19.376 19.776 -0.401 18844 7092 1 20 . 1 1 2 2 ALA H H 2 8.410 8.410 8.432 -0.022 18844 7093 1 20 . 1 1 3 3 LEU N N 3 123.255 123.255 123.846 -0.591 18844 7094 1 20 . 1 1 3 3 LEU HA H 3 4.646 4.646 4.573 0.073 18844 7095 1 20 . 1 1 3 3 LEU CA C 3 51.817 51.817 52.020 -0.203 18844 7096 1 20 . 1 1 3 3 LEU CB C 3 43.557 43.557 43.413 0.144 18844 7097 1 20 . 1 1 3 3 LEU H H 3 8.271 8.271 8.353 -0.082 18844 7098 1 20 . 1 1 4 4 PRO HA H 4 4.606 4.606 4.585 0.021 18844 7099 1 20 . 1 1 4 4 PRO CA C 4 63.240 63.240 62.385 0.855 18844 7100 1 20 . 1 1 4 4 PRO CB C 4 32.070 32.070 32.740 -0.670 18844 7101 1 20 . 1 1 5 5 ILE N N 5 122.161 122.161 118.106 4.055 18844 7102 1 20 . 1 1 5 5 ILE HA H 5 4.359 4.359 4.861 -0.502 18844 7103 1 20 . 1 1 5 5 ILE CA C 5 60.833 60.833 60.442 0.391 18844 7104 1 20 . 1 1 5 5 ILE CB C 5 43.943 43.943 42.797 1.146 18844 7105 1 20 . 1 1 5 5 ILE H H 5 8.317 8.317 7.678 0.639 18844 7106 1 20 . 1 1 6 6 ILE N N 6 125.649 125.649 125.942 -0.293 18844 7107 1 20 . 1 1 6 6 ILE HA H 6 4.921 4.921 4.739 0.182 18844 7108 1 20 . 1 1 6 6 ILE CA C 6 59.865 59.865 60.879 -1.014 18844 7109 1 20 . 1 1 6 6 ILE CB C 6 40.264 40.264 40.379 -0.115 18844 7110 1 20 . 1 1 6 6 ILE H H 6 8.408 8.408 8.556 -0.148 18844 7111 1 20 . 1 1 7 7 VAL N N 7 125.741 125.741 127.005 -1.264 18844 7112 1 20 . 1 1 7 7 VAL HA H 7 4.930 4.930 4.734 0.196 18844 7113 1 20 . 1 1 7 7 VAL CA C 7 60.363 60.363 59.517 0.847 18844 7114 1 20 . 1 1 7 7 VAL CB C 7 34.759 34.759 34.958 -0.199 18844 7115 1 20 . 1 1 7 7 VAL H H 7 9.155 9.155 9.150 0.005 18844 7116 1 20 . 1 1 8 8 LYS N N 8 128.098 128.098 128.760 -0.662 18844 7117 1 20 . 1 1 8 8 LYS HA H 8 5.232 5.232 5.206 0.026 18844 7118 1 20 . 1 1 8 8 LYS CA C 8 55.275 55.275 54.750 0.525 18844 7119 1 20 . 1 1 8 8 LYS CB C 8 34.935 34.935 33.599 1.336 18844 7120 1 20 . 1 1 8 8 LYS H H 8 9.174 9.174 8.826 0.348 18844 7121 1 20 . 1 1 9 9 TRP N N 9 125.952 125.952 128.447 -2.495 18844 7122 1 20 . 1 1 9 9 TRP HA H 9 5.185 5.185 4.906 0.279 18844 7123 1 20 . 1 1 9 9 TRP CA C 9 57.734 57.734 56.858 0.876 18844 7124 1 20 . 1 1 9 9 TRP CB C 9 31.561 31.561 31.203 0.358 18844 7125 1 20 . 1 1 9 9 TRP H H 9 8.844 8.844 8.438 0.406 18844 7126 1 20 . 1 1 10 10 GLY N N 10 117.044 117.044 116.423 0.621 18844 7127 1 20 . 1 1 10 10 GLY CA C 10 47.101 47.101 44.918 2.183 18844 7128 1 20 . 1 1 10 10 GLY H H 10 8.683 8.683 8.486 0.197 18844 7129 1 20 . 1 1 11 11 GLY N N 11 109.364 109.364 109.219 0.145 18844 7130 1 20 . 1 1 11 11 GLY CA C 11 45.460 45.460 45.457 0.003 18844 7131 1 20 . 1 1 11 11 GLY H H 11 8.600 8.600 8.126 0.474 18844 7132 1 20 . 1 1 12 12 GLN N N 12 119.388 119.388 118.911 0.477 18844 7133 1 20 . 1 1 12 12 GLN HA H 12 4.483 4.483 4.648 -0.165 18844 7134 1 20 . 1 1 12 12 GLN CA C 12 54.502 54.502 54.449 0.053 18844 7135 1 20 . 1 1 12 12 GLN CB C 12 32.178 32.178 32.043 0.135 18844 7136 1 20 . 1 1 12 12 GLN H H 12 7.865 7.865 7.883 -0.018 18844 7137 1 20 . 1 1 13 13 GLU N N 13 119.756 119.756 118.549 1.207 18844 7138 1 20 . 1 1 13 13 GLU HA H 13 4.880 4.880 4.839 0.041 18844 7139 1 20 . 1 1 13 13 GLU CA C 13 55.655 55.655 55.290 0.365 18844 7140 1 20 . 1 1 13 13 GLU CB C 13 32.306 32.306 32.606 -0.300 18844 7141 1 20 . 1 1 13 13 GLU H H 13 8.172 8.172 8.348 -0.176 18844 7142 1 20 . 1 1 14 14 TYR N N 14 122.812 122.812 121.630 1.182 18844 7143 1 20 . 1 1 14 14 TYR HA H 14 4.601 4.601 4.765 -0.164 18844 7144 1 20 . 1 1 14 14 TYR CA C 14 57.246 57.246 56.824 0.422 18844 7145 1 20 . 1 1 14 14 TYR CB C 14 40.544 40.544 41.297 -0.753 18844 7146 1 20 . 1 1 14 14 TYR H H 14 9.381 9.381 8.796 0.585 18844 7147 1 20 . 1 1 15 15 SER N N 15 118.339 118.339 119.414 -1.075 18844 7148 1 20 . 1 1 15 15 SER HA H 15 4.747 4.747 4.604 0.143 18844 7149 1 20 . 1 1 15 15 SER CA C 15 58.099 58.099 58.304 -0.205 18844 7150 1 20 . 1 1 15 15 SER CB C 15 63.394 63.394 63.861 -0.467 18844 7151 1 20 . 1 1 15 15 SER H H 15 8.802 8.802 8.863 -0.061 18844 7152 1 20 . 1 1 16 16 VAL N N 16 128.611 128.611 124.797 3.814 18844 7153 1 20 . 1 1 16 16 VAL HA H 16 4.205 4.205 4.276 -0.071 18844 7154 1 20 . 1 1 16 16 VAL CA C 16 62.344 62.344 62.612 -0.268 18844 7155 1 20 . 1 1 16 16 VAL CB C 16 32.528 32.528 32.936 -0.408 18844 7156 1 20 . 1 1 16 16 VAL H H 16 9.005 9.005 8.721 0.284 18844 7157 1 20 . 1 1 17 17 THR N N 17 116.170 116.170 117.636 -1.466 18844 7158 1 20 . 1 1 17 17 THR HA H 17 4.533 4.533 4.676 -0.143 18844 7159 1 20 . 1 1 17 17 THR CA C 17 62.331 62.331 61.971 0.360 18844 7160 1 20 . 1 1 17 17 THR CB C 17 70.040 70.040 69.454 0.586 18844 7161 1 20 . 1 1 17 17 THR H H 17 8.746 8.746 8.575 0.171 18844 7162 1 20 . 1 1 18 18 THR N N 18 107.517 107.517 116.338 -8.821 18844 7163 1 20 . 1 1 18 18 THR HA H 18 4.173 4.173 4.165 0.008 18844 7164 1 20 . 1 1 18 18 THR CA C 18 61.772 61.772 62.872 -1.100 18844 7165 1 20 . 1 1 18 18 THR CB C 18 69.121 69.121 68.731 0.390 18844 7166 1 20 . 1 1 18 18 THR H H 18 6.812 6.812 8.022 -1.210 18844 7167 1 20 . 1 1 19 19 LEU N N 19 123.019 123.019 121.894 1.125 18844 7168 1 20 . 1 1 19 19 LEU HA H 19 4.583 4.583 4.199 0.384 18844 7169 1 20 . 1 1 19 19 LEU CA C 19 54.180 54.180 54.580 -0.400 18844 7170 1 20 . 1 1 19 19 LEU CB C 19 42.711 42.711 43.702 -0.991 18844 7171 1 20 . 1 1 19 19 LEU H H 19 8.388 8.388 7.651 0.737 18844 7172 1 20 . 1 1 20 20 SER N N 20 117.870 117.870 113.822 4.048 18844 7173 1 20 . 1 1 20 20 SER HA H 20 4.863 4.863 4.782 0.081 18844 7174 1 20 . 1 1 20 20 SER CA C 20 56.832 56.832 56.673 0.159 18844 7175 1 20 . 1 1 20 20 SER CB C 20 67.845 67.845 66.467 1.378 18844 7176 1 20 . 1 1 20 20 SER H H 20 9.714 9.714 8.822 0.892 18844 7177 1 20 . 1 1 21 21 GLU N N 21 116.130 116.130 120.651 -4.521 18844 7178 1 20 . 1 1 21 21 GLU HA H 21 3.740 3.740 4.066 -0.326 18844 7179 1 20 . 1 1 21 21 GLU CA C 21 59.134 59.134 59.220 -0.086 18844 7180 1 20 . 1 1 21 21 GLU CB C 21 30.854 30.854 29.184 1.670 18844 7181 1 20 . 1 1 21 21 GLU H H 21 8.491 8.491 9.031 -0.540 18844 7182 1 20 . 1 1 22 22 ASP N N 22 115.741 115.741 118.095 -2.354 18844 7183 1 20 . 1 1 22 22 ASP HA H 22 4.650 4.650 4.618 0.032 18844 7184 1 20 . 1 1 22 22 ASP CA C 22 55.156 55.156 55.683 -0.527 18844 7185 1 20 . 1 1 22 22 ASP CB C 22 42.579 42.579 40.550 2.029 18844 7186 1 20 . 1 1 22 22 ASP H H 22 7.936 7.936 8.501 -0.565 18844 7187 1 20 . 1 1 23 23 ASP N N 23 119.945 119.945 119.067 0.878 18844 7188 1 20 . 1 1 23 23 ASP HA H 23 4.841 4.841 4.910 -0.069 18844 7189 1 20 . 1 1 23 23 ASP CA C 23 55.223 55.223 54.132 1.091 18844 7190 1 20 . 1 1 23 23 ASP CB C 23 42.782 42.782 42.393 0.389 18844 7191 1 20 . 1 1 23 23 ASP H H 23 7.313 7.313 7.783 -0.470 18844 7192 1 20 . 1 1 24 24 THR N N 24 107.918 107.918 108.409 -0.491 18844 7193 1 20 . 1 1 24 24 THR HA H 24 5.328 5.328 4.817 0.511 18844 7194 1 20 . 1 1 24 24 THR CA C 24 60.989 60.989 60.171 0.818 18844 7195 1 20 . 1 1 24 24 THR CB C 24 74.287 74.287 72.295 1.992 18844 7196 1 20 . 1 1 24 24 THR H H 24 9.630 9.630 7.847 1.783 18844 7197 1 20 . 1 1 25 25 VAL N N 25 120.192 120.192 121.630 -1.438 18844 7198 1 20 . 1 1 25 25 VAL HA H 25 3.334 3.334 3.682 -0.348 18844 7199 1 20 . 1 1 25 25 VAL CA C 25 67.626 67.626 67.151 0.475 18844 7200 1 20 . 1 1 25 25 VAL CB C 25 32.149 32.149 31.179 0.970 18844 7201 1 20 . 1 1 25 25 VAL H H 25 8.260 8.260 8.900 -0.640 18844 7202 1 20 . 1 1 26 26 LEU N N 26 119.941 119.941 118.379 1.562 18844 7203 1 20 . 1 1 26 26 LEU HA H 26 3.872 3.872 4.038 -0.166 18844 7204 1 20 . 1 1 26 26 LEU CA C 26 58.592 58.592 58.273 0.320 18844 7205 1 20 . 1 1 26 26 LEU CB C 26 41.716 41.716 41.307 0.409 18844 7206 1 20 . 1 1 26 26 LEU H H 26 8.523 8.523 7.302 1.221 18844 7207 1 20 . 1 1 27 27 ASP N N 27 118.322 118.322 119.127 -0.805 18844 7208 1 20 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.421 -0.148 18844 7209 1 20 . 1 1 27 27 ASP CA C 27 58.663 58.663 57.560 1.103 18844 7210 1 20 . 1 1 27 27 ASP CB C 27 40.931 40.931 40.988 -0.057 18844 7211 1 20 . 1 1 27 27 ASP H H 27 7.581 7.581 8.138 -0.557 18844 7212 1 20 . 1 1 28 28 LEU N N 28 122.021 122.021 120.199 1.822 18844 7213 1 20 . 1 1 28 28 LEU HA H 28 4.083 4.083 4.163 -0.080 18844 7214 1 20 . 1 1 28 28 LEU CA C 28 58.772 58.772 58.044 0.728 18844 7215 1 20 . 1 1 28 28 LEU CB C 28 41.225 41.225 42.359 -1.134 18844 7216 1 20 . 1 1 28 28 LEU H H 28 7.837 7.837 7.626 0.211 18844 7217 1 20 . 1 1 29 29 LYS N N 29 119.086 119.086 119.708 -0.622 18844 7218 1 20 . 1 1 29 29 LYS HA H 29 4.520 4.520 3.927 0.593 18844 7219 1 20 . 1 1 29 29 LYS CA C 29 59.787 59.787 60.358 -0.571 18844 7220 1 20 . 1 1 29 29 LYS CB C 29 34.297 34.297 32.142 2.155 18844 7221 1 20 . 1 1 29 29 LYS H H 29 8.467 8.467 8.538 -0.071 18844 7222 1 20 . 1 1 30 30 GLN N N 30 119.268 119.268 117.981 1.287 18844 7223 1 20 . 1 1 30 30 GLN HA H 30 3.932 3.932 4.033 -0.101 18844 7224 1 20 . 1 1 30 30 GLN CA C 30 59.663 59.663 58.639 1.024 18844 7225 1 20 . 1 1 30 30 GLN CB C 30 27.806 27.806 27.959 -0.153 18844 7226 1 20 . 1 1 30 30 GLN H H 30 9.049 9.049 8.130 0.919 18844 7227 1 20 . 1 1 31 31 PHE N N 31 121.690 121.690 120.171 1.519 18844 7228 1 20 . 1 1 31 31 PHE HA H 31 4.218 4.218 4.289 -0.071 18844 7229 1 20 . 1 1 31 31 PHE CA C 31 61.967 61.967 60.705 1.262 18844 7230 1 20 . 1 1 31 31 PHE CB C 31 39.374 39.374 39.665 -0.291 18844 7231 1 20 . 1 1 31 31 PHE H H 31 8.039 8.039 7.435 0.604 18844 7232 1 20 . 1 1 32 32 LEU N N 32 118.232 118.232 117.997 0.235 18844 7233 1 20 . 1 1 32 32 LEU HA H 32 3.637 3.637 4.049 -0.412 18844 7234 1 20 . 1 1 32 32 LEU CA C 32 57.708 57.708 58.254 -0.546 18844 7235 1 20 . 1 1 32 32 LEU CB C 32 41.270 41.270 41.304 -0.034 18844 7236 1 20 . 1 1 32 32 LEU H H 32 8.776 8.776 8.236 0.540 18844 7237 1 20 . 1 1 33 33 LYS N N 33 125.920 125.920 118.699 7.221 18844 7238 1 20 . 1 1 33 33 LYS HA H 33 3.802 3.802 3.883 -0.081 18844 7239 1 20 . 1 1 33 33 LYS CA C 33 60.116 60.116 59.179 0.937 18844 7240 1 20 . 1 1 33 33 LYS CB C 33 31.701 31.701 31.594 0.107 18844 7241 1 20 . 1 1 33 33 LYS H H 33 8.237 8.237 8.517 -0.280 18844 7242 1 20 . 1 1 34 34 THR N N 34 114.544 114.544 112.141 2.403 18844 7243 1 20 . 1 1 34 34 THR HA H 34 3.773 3.773 4.087 -0.314 18844 7244 1 20 . 1 1 34 34 THR CA C 34 65.749 65.749 64.547 1.202 18844 7245 1 20 . 1 1 34 34 THR CB C 34 68.620 68.620 68.756 -0.136 18844 7246 1 20 . 1 1 34 34 THR H H 34 7.281 7.281 7.102 0.179 18844 7247 1 20 . 1 1 35 35 LEU N N 35 117.590 117.590 120.324 -2.734 18844 7248 1 20 . 1 1 35 35 LEU HA H 35 4.018 4.018 4.140 -0.122 18844 7249 1 20 . 1 1 35 35 LEU CA C 35 57.015 57.015 57.145 -0.130 18844 7250 1 20 . 1 1 35 35 LEU CB C 35 44.003 44.003 42.541 1.462 18844 7251 1 20 . 1 1 35 35 LEU H H 35 6.752 6.752 7.665 -0.913 18844 7252 1 20 . 1 1 36 36 THR N N 36 104.865 104.865 109.215 -4.350 18844 7253 1 20 . 1 1 36 36 THR HA H 36 3.967 3.967 4.310 -0.343 18844 7254 1 20 . 1 1 36 36 THR CA C 36 62.756 62.756 61.898 0.858 18844 7255 1 20 . 1 1 36 36 THR CB C 36 72.343 72.343 69.832 2.511 18844 7256 1 20 . 1 1 36 36 THR H H 36 7.675 7.675 7.629 0.046 18844 7257 1 20 . 1 1 37 37 GLY N N 37 109.795 109.795 109.170 0.625 18844 7258 1 20 . 1 1 37 37 GLY CA C 37 45.559 45.559 44.589 0.970 18844 7259 1 20 . 1 1 37 37 GLY H H 37 7.971 7.971 7.352 0.619 18844 7260 1 20 . 1 1 38 38 VAL N N 38 122.557 122.557 118.850 3.707 18844 7261 1 20 . 1 1 38 38 VAL HA H 38 3.638 3.638 3.988 -0.350 18844 7262 1 20 . 1 1 38 38 VAL CA C 38 62.437 62.437 60.321 2.116 18844 7263 1 20 . 1 1 38 38 VAL CB C 38 31.390 31.390 33.478 -2.088 18844 7264 1 20 . 1 1 38 38 VAL H H 38 7.533 7.533 7.316 0.217 18844 7265 1 20 . 1 1 39 39 LEU N N 39 127.828 127.828 123.093 4.735 18844 7266 1 20 . 1 1 39 39 LEU HA H 39 3.994 3.994 4.425 -0.431 18844 7267 1 20 . 1 1 39 39 LEU CA C 39 54.437 54.437 53.317 1.120 18844 7268 1 20 . 1 1 39 39 LEU CB C 39 40.557 40.557 40.169 0.388 18844 7269 1 20 . 1 1 39 39 LEU H H 39 8.634 8.634 8.263 0.371 18844 7270 1 20 . 1 1 40 40 PRO HA H 40 3.839 3.839 4.617 -0.778 18844 7271 1 20 . 1 1 40 40 PRO CA C 40 66.989 66.989 64.647 2.342 18844 7272 1 20 . 1 1 40 40 PRO CB C 40 32.322 32.322 31.875 0.447 18844 7273 1 20 . 1 1 41 41 GLU N N 41 114.752 114.752 118.097 -3.345 18844 7274 1 20 . 1 1 41 41 GLU HA H 41 4.071 4.071 4.105 -0.034 18844 7275 1 20 . 1 1 41 41 GLU CA C 41 58.938 58.938 58.545 0.393 18844 7276 1 20 . 1 1 41 41 GLU CB C 41 28.824 28.824 29.220 -0.396 18844 7277 1 20 . 1 1 41 41 GLU H H 41 9.746 9.746 8.606 1.140 18844 7278 1 20 . 1 1 42 42 ARG N N 42 118.145 118.145 115.911 2.234 18844 7279 1 20 . 1 1 42 42 ARG HA H 42 4.315 4.315 4.463 -0.148 18844 7280 1 20 . 1 1 42 42 ARG CA C 42 55.448 55.448 56.796 -1.348 18844 7281 1 20 . 1 1 42 42 ARG CB C 42 31.105 31.105 31.753 -0.648 18844 7282 1 20 . 1 1 42 42 ARG H H 42 7.938 7.938 7.582 0.356 18844 7283 1 20 . 1 1 43 43 GLN N N 43 118.250 118.250 118.541 -0.291 18844 7284 1 20 . 1 1 43 43 GLN HA H 43 4.251 4.251 4.793 -0.542 18844 7285 1 20 . 1 1 43 43 GLN CA C 43 56.537 56.537 54.728 1.809 18844 7286 1 20 . 1 1 43 43 GLN CB C 43 30.992 30.992 30.865 0.127 18844 7287 1 20 . 1 1 43 43 GLN H H 43 7.034 7.034 7.804 -0.770 18844 7288 1 20 . 1 1 44 44 LYS N N 44 122.693 122.693 119.700 2.993 18844 7289 1 20 . 1 1 44 44 LYS HA H 44 4.464 4.464 4.741 -0.277 18844 7290 1 20 . 1 1 44 44 LYS CA C 44 55.552 55.552 54.512 1.040 18844 7291 1 20 . 1 1 44 44 LYS CB C 44 34.325 34.325 34.953 -0.628 18844 7292 1 20 . 1 1 44 44 LYS H H 44 8.806 8.806 8.959 -0.153 18844 7293 1 20 . 1 1 45 45 LEU N N 45 124.806 124.806 124.232 0.574 18844 7294 1 20 . 1 1 45 45 LEU HA H 45 4.943 4.943 4.251 0.692 18844 7295 1 20 . 1 1 45 45 LEU CA C 45 53.542 53.542 55.062 -1.520 18844 7296 1 20 . 1 1 45 45 LEU CB C 45 41.821 41.821 40.888 0.933 18844 7297 1 20 . 1 1 45 45 LEU H H 45 8.704 8.704 8.738 -0.034 18844 7298 1 20 . 1 1 46 46 LEU N N 46 124.709 124.709 126.124 -1.415 18844 7299 1 20 . 1 1 46 46 LEU HA H 46 4.358 4.358 4.337 0.021 18844 7300 1 20 . 1 1 46 46 LEU CA C 46 55.759 55.759 57.050 -1.291 18844 7301 1 20 . 1 1 46 46 LEU CB C 46 42.526 42.526 41.678 0.848 18844 7302 1 20 . 1 1 46 46 LEU H H 46 8.751 8.751 7.890 0.861 18844 7303 1 20 . 1 1 47 47 GLY N N 47 109.276 109.276 106.962 2.314 18844 7304 1 20 . 1 1 47 47 GLY CA C 47 45.560 45.560 44.699 0.861 18844 7305 1 20 . 1 1 47 47 GLY H H 47 8.300 8.300 8.386 -0.086 18844 7306 1 20 . 1 1 48 48 LEU N N 48 119.707 119.707 117.470 2.237 18844 7307 1 20 . 1 1 48 48 LEU HA H 48 4.590 4.590 4.203 0.387 18844 7308 1 20 . 1 1 48 48 LEU CA C 48 53.945 53.945 56.494 -2.549 18844 7309 1 20 . 1 1 48 48 LEU CB C 48 41.414 41.414 42.151 -0.737 18844 7310 1 20 . 1 1 48 48 LEU H H 48 7.581 7.581 7.423 0.158 18844 7311 1 20 . 1 1 49 49 LYS N N 49 124.527 124.527 117.074 7.453 18844 7312 1 20 . 1 1 49 49 LYS HA H 49 4.852 4.852 4.603 0.249 18844 7313 1 20 . 1 1 49 49 LYS CA C 49 55.663 55.663 54.757 0.906 18844 7314 1 20 . 1 1 49 49 LYS CB C 49 37.581 37.581 34.642 2.938 18844 7315 1 20 . 1 1 49 49 LYS H H 49 8.606 8.606 7.222 1.384 18844 7316 1 20 . 1 1 50 50 VAL N N 50 119.184 119.184 121.032 -1.848 18844 7317 1 20 . 1 1 50 50 VAL HA H 50 4.113 4.113 4.388 -0.275 18844 7318 1 20 . 1 1 50 50 VAL CA C 50 61.865 61.865 60.595 1.270 18844 7319 1 20 . 1 1 50 50 VAL CB C 50 34.734 34.734 34.557 0.177 18844 7320 1 20 . 1 1 50 50 VAL H H 50 8.799 8.799 8.351 0.448 18844 7321 1 20 . 1 1 51 51 LYS N N 51 127.069 127.069 124.402 2.667 18844 7322 1 20 . 1 1 51 51 LYS HA H 51 3.824 3.824 3.954 -0.130 18844 7323 1 20 . 1 1 51 51 LYS CA C 51 57.407 57.407 57.103 0.304 18844 7324 1 20 . 1 1 51 51 LYS CB C 51 30.655 30.655 30.816 -0.161 18844 7325 1 20 . 1 1 51 51 LYS H H 51 9.451 9.451 9.171 0.280 18844 7326 1 20 . 1 1 52 52 GLY N N 52 102.671 102.671 102.763 -0.092 18844 7327 1 20 . 1 1 52 52 GLY CA C 52 45.810 45.810 45.122 0.688 18844 7328 1 20 . 1 1 52 52 GLY H H 52 8.512 8.512 8.361 0.151 18844 7329 1 20 . 1 1 53 53 LYS N N 53 121.307 121.307 121.837 -0.530 18844 7330 1 20 . 1 1 53 53 LYS HA H 53 4.829 4.829 4.650 0.179 18844 7331 1 20 . 1 1 53 53 LYS CA C 53 53.616 53.616 53.011 0.605 18844 7332 1 20 . 1 1 53 53 LYS CB C 53 33.940 33.940 32.606 1.334 18844 7333 1 20 . 1 1 53 53 LYS H H 53 7.781 7.781 7.850 -0.069 18844 7334 1 20 . 1 1 54 54 PRO HA H 54 4.376 4.376 4.303 0.073 18844 7335 1 20 . 1 1 54 54 PRO CA C 54 63.817 63.817 64.066 -0.249 18844 7336 1 20 . 1 1 54 54 PRO CB C 54 32.151 32.151 31.886 0.265 18844 7337 1 20 . 1 1 55 55 ALA N N 55 125.654 125.654 120.358 5.296 18844 7338 1 20 . 1 1 55 55 ALA HA H 55 4.138 4.138 3.995 0.143 18844 7339 1 20 . 1 1 55 55 ALA CA C 55 52.664 52.664 52.885 -0.221 18844 7340 1 20 . 1 1 55 55 ALA CB C 55 20.044 20.044 17.811 2.233 18844 7341 1 20 . 1 1 55 55 ALA H H 55 8.114 8.114 7.972 0.142 18844 7342 1 20 . 1 1 56 56 GLU N N 56 122.313 122.313 118.923 3.390 18844 7343 1 20 . 1 1 56 56 GLU HA H 56 4.215 4.215 4.037 0.178 18844 7344 1 20 . 1 1 56 56 GLU CA C 56 56.089 56.089 59.075 -2.986 18844 7345 1 20 . 1 1 56 56 GLU CB C 56 31.086 31.086 30.066 1.020 18844 7346 1 20 . 1 1 56 56 GLU H H 56 8.179 8.179 8.679 -0.500 18844 7347 1 20 . 1 1 57 57 ASN N N 57 115.140 115.140 109.781 5.359 18844 7348 1 20 . 1 1 57 57 ASN HA H 57 4.229 4.229 4.693 -0.464 18844 7349 1 20 . 1 1 57 57 ASN CA C 57 55.199 55.199 53.826 1.373 18844 7350 1 20 . 1 1 57 57 ASN CB C 57 39.227 39.227 38.721 0.506 18844 7351 1 20 . 1 1 57 57 ASN H H 57 8.504 8.504 7.927 0.577 18844 7352 1 20 . 1 1 58 58 ASP N N 58 112.832 112.832 120.979 -8.147 18844 7353 1 20 . 1 1 58 58 ASP HA H 58 4.488 4.488 4.504 -0.016 18844 7354 1 20 . 1 1 58 58 ASP CA C 58 53.608 53.608 54.979 -1.371 18844 7355 1 20 . 1 1 58 58 ASP CB C 58 40.304 40.304 40.892 -0.588 18844 7356 1 20 . 1 1 58 58 ASP H H 58 8.198 8.198 8.488 -0.290 18844 7357 1 20 . 1 1 59 59 VAL N N 59 122.073 122.073 119.409 2.664 18844 7358 1 20 . 1 1 59 59 VAL HA H 59 3.593 3.593 4.012 -0.419 18844 7359 1 20 . 1 1 59 59 VAL CA C 59 63.840 63.840 62.217 1.623 18844 7360 1 20 . 1 1 59 59 VAL CB C 59 32.322 32.322 32.818 -0.496 18844 7361 1 20 . 1 1 59 59 VAL H H 59 7.353 7.353 7.490 -0.137 18844 7362 1 20 . 1 1 60 60 LYS N N 60 125.064 125.064 123.416 1.648 18844 7363 1 20 . 1 1 60 60 LYS HA H 60 4.447 4.447 4.637 -0.190 18844 7364 1 20 . 1 1 60 60 LYS CA C 60 56.185 56.185 55.314 0.871 18844 7365 1 20 . 1 1 60 60 LYS CB C 60 33.105 33.105 34.080 -0.975 18844 7366 1 20 . 1 1 60 60 LYS H H 60 8.339 8.339 8.282 0.057 18844 7367 1 20 . 1 1 61 61 LEU N N 61 121.612 121.612 122.253 -0.641 18844 7368 1 20 . 1 1 61 61 LEU HA H 61 3.776 3.776 4.018 -0.242 18844 7369 1 20 . 1 1 61 61 LEU CA C 61 57.987 57.987 58.017 -0.031 18844 7370 1 20 . 1 1 61 61 LEU CB C 61 40.832 40.832 41.842 -1.010 18844 7371 1 20 . 1 1 61 61 LEU H H 61 9.423 9.423 8.842 0.581 18844 7372 1 20 . 1 1 62 62 GLY N N 62 104.008 104.008 103.376 0.632 18844 7373 1 20 . 1 1 62 62 GLY CA C 62 46.772 46.772 45.725 1.047 18844 7374 1 20 . 1 1 62 62 GLY H H 62 9.107 9.107 8.084 1.023 18844 7375 1 20 . 1 1 63 63 ALA N N 63 122.025 122.025 123.081 -1.056 18844 7376 1 20 . 1 1 63 63 ALA HA H 63 4.273 4.273 4.408 -0.135 18844 7377 1 20 . 1 1 63 63 ALA CA C 63 53.421 53.421 53.495 -0.074 18844 7378 1 20 . 1 1 63 63 ALA CB C 63 18.816 18.816 18.933 -0.117 18844 7379 1 20 . 1 1 63 63 ALA H H 63 7.755 7.755 7.606 0.149 18844 7380 1 20 . 1 1 64 64 LEU N N 64 115.454 115.454 116.322 -0.868 18844 7381 1 20 . 1 1 64 64 LEU HA H 64 4.068 4.068 4.087 -0.019 18844 7382 1 20 . 1 1 64 64 LEU CA C 64 55.567 55.567 55.961 -0.394 18844 7383 1 20 . 1 1 64 64 LEU CB C 64 42.136 42.136 42.190 -0.054 18844 7384 1 20 . 1 1 64 64 LEU H H 64 7.214 7.214 7.700 -0.486 18844 7385 1 20 . 1 1 65 65 LYS N N 65 114.830 114.830 113.135 1.695 18844 7386 1 20 . 1 1 65 65 LYS HA H 65 3.838 3.838 3.862 -0.024 18844 7387 1 20 . 1 1 65 65 LYS CA C 65 56.737 56.737 56.642 0.096 18844 7388 1 20 . 1 1 65 65 LYS CB C 65 29.307 29.307 29.259 0.048 18844 7389 1 20 . 1 1 65 65 LYS H H 65 7.642 7.642 7.649 -0.007 18844 7390 1 20 . 1 1 66 66 LEU N N 66 119.305 119.305 119.477 -0.172 18844 7391 1 20 . 1 1 66 66 LEU HA H 66 4.163 4.163 4.261 -0.098 18844 7392 1 20 . 1 1 66 66 LEU CA C 66 54.847 54.847 54.657 0.190 18844 7393 1 20 . 1 1 66 66 LEU CB C 66 42.712 42.712 42.843 -0.131 18844 7394 1 20 . 1 1 66 66 LEU H H 66 8.516 8.516 7.721 0.795 18844 7395 1 20 . 1 1 67 67 LYS N N 67 121.480 121.480 122.885 -1.405 18844 7396 1 20 . 1 1 67 67 LYS HA H 67 4.497 4.497 4.390 0.107 18844 7397 1 20 . 1 1 67 67 LYS CA C 67 54.152 54.152 55.742 -1.590 18844 7398 1 20 . 1 1 67 67 LYS CB C 67 31.999 31.999 32.341 -0.342 18844 7399 1 20 . 1 1 67 67 LYS H H 67 7.955 7.955 8.120 -0.165 18844 7400 1 20 . 1 1 68 68 PRO HA H 68 4.169 4.169 4.732 -0.563 18844 7401 1 20 . 1 1 68 68 PRO CA C 68 64.389 64.389 64.988 -0.599 18844 7402 1 20 . 1 1 68 68 PRO CB C 68 32.214 32.214 32.320 -0.106 18844 7403 1 20 . 1 1 69 69 ASN N N 69 115.414 115.414 115.415 -0.001 18844 7404 1 20 . 1 1 69 69 ASN HA H 69 3.962 3.962 4.580 -0.618 18844 7405 1 20 . 1 1 69 69 ASN CA C 69 55.021 55.021 53.611 1.410 18844 7406 1 20 . 1 1 69 69 ASN CB C 69 37.047 37.047 37.491 -0.444 18844 7407 1 20 . 1 1 69 69 ASN H H 69 8.966 8.966 8.192 0.774 18844 7408 1 20 . 1 1 70 70 THR N N 70 115.426 115.426 115.894 -0.468 18844 7409 1 20 . 1 1 70 70 THR HA H 70 3.949 3.949 4.039 -0.090 18844 7410 1 20 . 1 1 70 70 THR CA C 70 65.247 65.247 63.903 1.344 18844 7411 1 20 . 1 1 70 70 THR CB C 70 70.132 70.132 69.039 1.093 18844 7412 1 20 . 1 1 70 70 THR H H 70 7.712 7.712 7.691 0.021 18844 7413 1 20 . 1 1 71 71 LYS N N 71 124.603 124.603 125.395 -0.792 18844 7414 1 20 . 1 1 71 71 LYS HA H 71 5.179 5.179 5.154 0.025 18844 7415 1 20 . 1 1 71 71 LYS CA C 71 55.340 55.340 55.342 -0.002 18844 7416 1 20 . 1 1 71 71 LYS CB C 71 33.729 33.729 34.552 -0.823 18844 7417 1 20 . 1 1 71 71 LYS H H 71 8.284 8.284 8.412 -0.128 18844 7418 1 20 . 1 1 72 72 ILE N N 72 123.505 123.505 123.460 0.045 18844 7419 1 20 . 1 1 72 72 ILE HA H 72 4.511 4.511 4.389 0.122 18844 7420 1 20 . 1 1 72 72 ILE CA C 72 59.636 59.636 59.231 0.405 18844 7421 1 20 . 1 1 72 72 ILE CB C 72 40.827 40.827 39.525 1.302 18844 7422 1 20 . 1 1 72 72 ILE H H 72 9.142 9.142 8.427 0.715 18844 7423 1 20 . 1 1 73 73 MET N N 73 123.090 123.090 125.909 -2.819 18844 7424 1 20 . 1 1 73 73 MET HA H 73 5.122 5.122 5.173 -0.051 18844 7425 1 20 . 1 1 73 73 MET CA C 73 54.949 54.949 55.134 -0.185 18844 7426 1 20 . 1 1 73 73 MET CB C 73 35.143 35.143 35.241 -0.098 18844 7427 1 20 . 1 1 73 73 MET H H 73 8.556 8.556 8.907 -0.351 18844 7428 1 20 . 1 1 74 74 MET N N 74 124.481 124.481 121.350 3.131 18844 7429 1 20 . 1 1 74 74 MET HA H 74 5.288 5.288 4.942 0.346 18844 7430 1 20 . 1 1 74 74 MET CA C 74 54.862 54.862 55.022 -0.160 18844 7431 1 20 . 1 1 74 74 MET CB C 74 36.294 36.294 35.276 1.018 18844 7432 1 20 . 1 1 74 74 MET H H 74 8.924 8.924 8.727 0.197 18844 7433 1 20 . 1 1 75 75 MET N N 75 123.963 123.963 123.610 0.353 18844 7434 1 20 . 1 1 75 75 MET HA H 75 5.093 5.093 5.023 0.070 18844 7435 1 20 . 1 1 75 75 MET CA C 75 54.265 54.265 54.389 -0.124 18844 7436 1 20 . 1 1 75 75 MET CB C 75 35.566 35.566 33.826 1.740 18844 7437 1 20 . 1 1 75 75 MET H H 75 9.112 9.112 8.385 0.727 18844 7438 1 20 . 1 1 76 76 GLY N N 76 109.773 109.773 111.126 -1.353 18844 7439 1 20 . 1 1 76 76 GLY CA C 76 45.901 45.901 45.363 0.538 18844 7440 1 20 . 1 1 76 76 GLY H H 76 8.711 8.711 8.765 -0.054 18844 7441 1 20 . 1 1 77 77 THR N N 77 113.345 113.345 114.174 -0.829 18844 7442 1 20 . 1 1 77 77 THR HA H 77 4.787 4.787 4.694 0.093 18844 7443 1 20 . 1 1 77 77 THR CA C 77 60.728 60.728 60.182 0.546 18844 7444 1 20 . 1 1 77 77 THR CB C 77 71.481 71.481 70.746 0.736 18844 7445 1 20 . 1 1 77 77 THR H H 77 8.280 8.280 8.291 -0.011 18844 7446 1 20 . 1 1 78 78 ARG N N 78 122.844 122.844 125.404 -2.560 18844 7447 1 20 . 1 1 78 78 ARG HA H 78 4.148 4.148 4.164 -0.016 18844 7448 1 20 . 1 1 78 78 ARG CA C 78 56.881 56.881 56.620 0.261 18844 7449 1 20 . 1 1 78 78 ARG CB C 78 31.607 31.607 30.896 0.711 18844 7450 1 20 . 1 1 78 78 ARG H H 78 8.852 8.852 8.512 0.340 18844 7451 1 20 . 1 1 79 79 GLU N N 79 122.181 122.181 121.520 0.661 18844 7452 1 20 . 1 1 79 79 GLU HA H 79 4.206 4.206 4.132 0.074 18844 7453 1 20 . 1 1 79 79 GLU CA C 79 57.007 57.007 57.418 -0.411 18844 7454 1 20 . 1 1 79 79 GLU CB C 79 30.764 30.764 29.410 1.354 18844 7455 1 20 . 1 1 79 79 GLU H H 79 8.300 8.300 8.534 -0.234 18844 7456 1 20 . 1 1 80 80 GLU N N 80 126.965 126.965 122.613 4.352 18844 7457 1 20 . 1 1 80 80 GLU HA H 80 4.049 4.049 4.255 -0.206 18844 7458 1 20 . 1 1 80 80 GLU CA C 80 58.328 58.328 57.523 0.805 18844 7459 1 20 . 1 1 80 80 GLU CB C 80 31.287 31.287 30.173 1.114 18844 7460 1 20 . 1 1 80 80 GLU H H 80 8.015 8.015 8.618 -0.603 18844 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 75 2.864 -0.318 2.866 18844 2 1 1 "Average Difference" HA 86 0.277 0.055 0.273 18844 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18844 4 1 1 "Average Difference" CA 79 1.043 -0.311 1.003 18844 5 1 1 "Average Difference" CB 72 1.028 -0.388 0.958 18844 6 1 1 "Average Difference" HN 75 0.572 -0.155 0.554 18844 7 1 2 "Average Difference" N 75 2.924 -0.331 2.924 18844 8 1 2 "Average Difference" HA 86 0.286 0.055 0.282 18844 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18844 10 1 2 "Average Difference" CA 79 1.126 -0.383 1.065 18844 11 1 2 "Average Difference" CB 72 1.004 -0.327 0.956 18844 12 1 2 "Average Difference" HN 75 0.554 -0.162 0.534 18844 13 1 3 "Average Difference" N 75 2.909 -0.231 2.920 18844 14 1 3 "Average Difference" HA 86 0.285 0.052 0.282 18844 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18844 16 1 3 "Average Difference" CA 79 1.076 -0.304 1.038 18844 17 1 3 "Average Difference" CB 72 0.976 -0.327 0.926 18844 18 1 3 "Average Difference" HN 75 0.566 -0.171 0.543 18844 19 1 4 "Average Difference" N 75 2.946 -0.319 2.949 18844 20 1 4 "Average Difference" HA 86 0.282 0.048 0.279 18844 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18844 22 1 4 "Average Difference" CA 79 1.081 -0.344 1.031 18844 23 1 4 "Average Difference" CB 72 1.009 -0.365 0.947 18844 24 1 4 "Average Difference" HN 75 0.572 -0.162 0.552 18844 25 1 5 "Average Difference" N 75 2.986 -0.294 2.992 18844 26 1 5 "Average Difference" HA 86 0.292 0.053 0.289 18844 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18844 28 1 5 "Average Difference" CA 79 1.077 -0.343 1.027 18844 29 1 5 "Average Difference" CB 72 0.968 -0.333 0.915 18844 30 1 5 "Average Difference" HN 75 0.563 -0.170 0.541 18844 31 1 6 "Average Difference" N 75 2.932 -0.267 2.940 18844 32 1 6 "Average Difference" HA 86 0.287 0.054 0.284 18844 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18844 34 1 6 "Average Difference" CA 79 1.106 -0.358 1.053 18844 35 1 6 "Average Difference" CB 72 1.005 -0.315 0.962 18844 36 1 6 "Average Difference" HN 75 0.556 -0.169 0.534 18844 37 1 7 "Average Difference" N 75 2.977 -0.127 2.994 18844 38 1 7 "Average Difference" HA 86 0.286 0.048 0.283 18844 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18844 40 1 7 "Average Difference" CA 79 1.144 -0.372 1.089 18844 41 1 7 "Average Difference" CB 72 1.036 -0.347 0.983 18844 42 1 7 "Average Difference" HN 75 0.565 -0.173 0.541 18844 43 1 8 "Average Difference" N 75 2.955 -0.253 2.964 18844 44 1 8 "Average Difference" HA 86 0.284 0.048 0.282 18844 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18844 46 1 8 "Average Difference" CA 79 1.081 -0.346 1.030 18844 47 1 8 "Average Difference" CB 72 1.048 -0.383 0.982 18844 48 1 8 "Average Difference" HN 75 0.563 -0.170 0.540 18844 49 1 9 "Average Difference" N 75 2.881 -0.172 2.895 18844 50 1 9 "Average Difference" HA 86 0.280 0.050 0.277 18844 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18844 52 1 9 "Average Difference" CA 79 1.072 -0.350 1.020 18844 53 1 9 "Average Difference" CB 72 1.007 -0.359 0.947 18844 54 1 9 "Average Difference" HN 75 0.574 -0.157 0.556 18844 55 1 10 "Average Difference" N 75 2.815 -0.302 2.818 18844 56 1 10 "Average Difference" HA 86 0.288 0.065 0.282 18844 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18844 58 1 10 "Average Difference" CA 79 1.115 -0.353 1.064 18844 59 1 10 "Average Difference" CB 72 0.973 -0.297 0.933 18844 60 1 10 "Average Difference" HN 75 0.560 -0.174 0.536 18844 61 1 11 "Average Difference" N 75 2.878 -0.377 2.872 18844 62 1 11 "Average Difference" HA 86 0.281 0.047 0.278 18844 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18844 64 1 11 "Average Difference" CA 79 1.080 -0.314 1.040 18844 65 1 11 "Average Difference" CB 72 1.017 -0.332 0.968 18844 66 1 11 "Average Difference" HN 75 0.570 -0.175 0.546 18844 67 1 12 "Average Difference" N 75 2.859 -0.351 2.856 18844 68 1 12 "Average Difference" HA 86 0.280 0.054 0.277 18844 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18844 70 1 12 "Average Difference" CA 79 1.069 -0.348 1.017 18844 71 1 12 "Average Difference" CB 72 0.973 -0.346 0.916 18844 72 1 12 "Average Difference" HN 75 0.571 -0.160 0.551 18844 73 1 13 "Average Difference" N 75 3.027 -0.203 3.040 18844 74 1 13 "Average Difference" HA 86 0.284 0.054 0.281 18844 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18844 76 1 13 "Average Difference" CA 79 1.066 -0.321 1.024 18844 77 1 13 "Average Difference" CB 72 0.953 -0.314 0.907 18844 78 1 13 "Average Difference" HN 75 0.568 -0.178 0.543 18844 79 1 14 "Average Difference" N 75 2.825 -0.355 2.822 18844 80 1 14 "Average Difference" HA 86 0.290 0.056 0.286 18844 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18844 82 1 14 "Average Difference" CA 79 1.129 -0.311 1.092 18844 83 1 14 "Average Difference" CB 72 0.959 -0.308 0.914 18844 84 1 14 "Average Difference" HN 75 0.570 -0.160 0.550 18844 85 1 15 "Average Difference" N 75 2.970 -0.452 2.955 18844 86 1 15 "Average Difference" HA 86 0.290 0.056 0.286 18844 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18844 88 1 15 "Average Difference" CA 79 1.114 -0.329 1.072 18844 89 1 15 "Average Difference" CB 72 1.009 -0.275 0.978 18844 90 1 15 "Average Difference" HN 75 0.553 -0.178 0.527 18844 91 1 16 "Average Difference" N 75 2.951 -0.248 2.960 18844 92 1 16 "Average Difference" HA 86 0.292 0.049 0.289 18844 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18844 94 1 16 "Average Difference" CA 79 1.111 -0.403 1.041 18844 95 1 16 "Average Difference" CB 72 1.016 -0.344 0.963 18844 96 1 16 "Average Difference" HN 75 0.552 -0.173 0.527 18844 97 1 17 "Average Difference" N 75 2.883 -0.239 2.893 18844 98 1 17 "Average Difference" HA 86 0.274 0.042 0.272 18844 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18844 100 1 17 "Average Difference" CA 79 1.072 -0.340 1.023 18844 101 1 17 "Average Difference" CB 72 0.986 -0.352 0.928 18844 102 1 17 "Average Difference" HN 75 0.571 -0.170 0.548 18844 103 1 18 "Average Difference" N 75 3.001 -0.201 3.014 18844 104 1 18 "Average Difference" HA 86 0.284 0.053 0.280 18844 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18844 106 1 18 "Average Difference" CA 79 1.093 -0.321 1.052 18844 107 1 18 "Average Difference" CB 72 1.012 -0.349 0.957 18844 108 1 18 "Average Difference" HN 75 0.575 -0.154 0.558 18844 109 1 19 "Average Difference" N 75 2.915 -0.316 2.917 18844 110 1 19 "Average Difference" HA 86 0.275 0.045 0.272 18844 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18844 112 1 19 "Average Difference" CA 79 1.097 -0.348 1.047 18844 113 1 19 "Average Difference" CB 72 0.977 -0.302 0.936 18844 114 1 19 "Average Difference" HN 75 0.571 -0.179 0.546 18844 115 1 20 "Average Difference" N 75 2.866 -0.439 2.852 18844 116 1 20 "Average Difference" HA 86 0.278 0.050 0.275 18844 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18844 118 1 20 "Average Difference" CA 79 1.021 -0.294 0.984 18844 119 1 20 "Average Difference" CB 72 1.016 -0.327 0.969 18844 120 1 20 "Average Difference" HN 75 0.565 -0.167 0.544 18844 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 18844 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ALA N N 2 126.014 126.014 123.466 2.548 18844 2 1 . 1 1 2 2 ALA HA H 2 4.033 4.033 4.549 -0.516 18844 3 1 . 1 1 2 2 ALA CA C 2 53.215 53.215 51.558 1.657 18844 4 1 . 1 1 2 2 ALA CB C 2 19.376 19.376 19.798 -0.422 18844 5 1 . 1 1 2 2 ALA H H 2 8.410 8.410 8.304 0.106 18844 6 1 . 1 1 3 3 LEU N N 3 123.255 123.255 123.848 -0.593 18844 7 1 . 1 1 3 3 LEU HA H 3 4.646 4.646 4.626 0.020 18844 8 1 . 1 1 3 3 LEU CA C 3 51.817 51.817 52.056 -0.239 18844 9 1 . 1 1 3 3 LEU CB C 3 43.557 43.557 43.193 0.364 18844 10 1 . 1 1 3 3 LEU H H 3 8.271 8.271 8.419 -0.148 18844 11 1 . 1 1 4 4 PRO HA H 4 4.606 4.606 4.622 -0.016 18844 12 1 . 1 1 4 4 PRO CA C 4 63.240 63.240 62.414 0.826 18844 13 1 . 1 1 4 4 PRO CB C 4 32.070 32.070 32.844 -0.774 18844 14 1 . 1 1 5 5 ILE N N 5 122.161 122.161 118.145 4.016 18844 15 1 . 1 1 5 5 ILE HA H 5 4.359 4.359 4.838 -0.479 18844 16 1 . 1 1 5 5 ILE CA C 5 60.833 60.833 60.471 0.362 18844 17 1 . 1 1 5 5 ILE CB C 5 43.943 43.943 42.752 1.191 18844 18 1 . 1 1 5 5 ILE H H 5 8.317 8.317 7.701 0.616 18844 19 1 . 1 1 6 6 ILE N N 6 125.649 125.649 126.087 -0.438 18844 20 1 . 1 1 6 6 ILE HA H 6 4.921 4.921 4.739 0.182 18844 21 1 . 1 1 6 6 ILE CA C 6 59.865 59.865 60.797 -0.932 18844 22 1 . 1 1 6 6 ILE CB C 6 40.264 40.264 40.330 -0.066 18844 23 1 . 1 1 6 6 ILE H H 6 8.408 8.408 8.492 -0.084 18844 24 1 . 1 1 7 7 VAL N N 7 125.741 125.741 126.671 -0.930 18844 25 1 . 1 1 7 7 VAL HA H 7 4.930 4.930 4.701 0.229 18844 26 1 . 1 1 7 7 VAL CA C 7 60.363 60.363 60.012 0.351 18844 27 1 . 1 1 7 7 VAL CB C 7 34.759 34.759 34.869 -0.110 18844 28 1 . 1 1 7 7 VAL H H 7 9.155 9.155 9.143 0.012 18844 29 1 . 1 1 8 8 LYS N N 8 128.098 128.098 128.648 -0.550 18844 30 1 . 1 1 8 8 LYS HA H 8 5.232 5.232 5.270 -0.038 18844 31 1 . 1 1 8 8 LYS CA C 8 55.275 55.275 54.708 0.567 18844 32 1 . 1 1 8 8 LYS CB C 8 34.935 34.935 33.911 1.024 18844 33 1 . 1 1 8 8 LYS H H 8 9.174 9.174 8.794 0.380 18844 34 1 . 1 1 9 9 TRP N N 9 125.952 125.952 128.450 -2.498 18844 35 1 . 1 1 9 9 TRP HA H 9 5.185 5.185 4.893 0.292 18844 36 1 . 1 1 9 9 TRP CA C 9 57.734 57.734 56.723 1.011 18844 37 1 . 1 1 9 9 TRP CB C 9 31.561 31.561 31.049 0.512 18844 38 1 . 1 1 9 9 TRP H H 9 8.844 8.844 8.440 0.404 18844 39 1 . 1 1 10 10 GLY N N 10 117.044 117.044 116.344 0.700 18844 40 1 . 1 1 10 10 GLY CA C 10 47.101 47.101 45.169 1.933 18844 41 1 . 1 1 10 10 GLY H H 10 8.683 8.683 8.549 0.134 18844 42 1 . 1 1 11 11 GLY N N 11 109.364 109.364 110.217 -0.853 18844 43 1 . 1 1 11 11 GLY CA C 11 45.460 45.460 45.316 0.144 18844 44 1 . 1 1 11 11 GLY H H 11 8.600 8.600 8.117 0.483 18844 45 1 . 1 1 12 12 GLN N N 12 119.388 119.388 119.188 0.200 18844 46 1 . 1 1 12 12 GLN HA H 12 4.483 4.483 4.622 -0.139 18844 47 1 . 1 1 12 12 GLN CA C 12 54.502 54.502 54.618 -0.116 18844 48 1 . 1 1 12 12 GLN CB C 12 32.178 32.178 31.980 0.198 18844 49 1 . 1 1 12 12 GLN H H 12 7.865 7.865 7.805 0.060 18844 50 1 . 1 1 13 13 GLU N N 13 119.756 119.756 119.544 0.212 18844 51 1 . 1 1 13 13 GLU HA H 13 4.880 4.880 4.852 0.028 18844 52 1 . 1 1 13 13 GLU CA C 13 55.655 55.655 55.351 0.304 18844 53 1 . 1 1 13 13 GLU CB C 13 32.306 32.306 32.340 -0.034 18844 54 1 . 1 1 13 13 GLU H H 13 8.172 8.172 8.404 -0.232 18844 55 1 . 1 1 14 14 TYR N N 14 122.812 122.812 121.791 1.021 18844 56 1 . 1 1 14 14 TYR HA H 14 4.601 4.601 4.774 -0.173 18844 57 1 . 1 1 14 14 TYR CA C 14 57.246 57.246 56.860 0.386 18844 58 1 . 1 1 14 14 TYR CB C 14 40.544 40.544 41.270 -0.726 18844 59 1 . 1 1 14 14 TYR H H 14 9.381 9.381 8.821 0.560 18844 60 1 . 1 1 15 15 SER N N 15 118.339 118.339 119.426 -1.087 18844 61 1 . 1 1 15 15 SER HA H 15 4.747 4.747 4.636 0.111 18844 62 1 . 1 1 15 15 SER CA C 15 58.099 58.099 58.144 -0.045 18844 63 1 . 1 1 15 15 SER CB C 15 63.394 63.394 63.862 -0.468 18844 64 1 . 1 1 15 15 SER H H 15 8.802 8.802 8.732 0.070 18844 65 1 . 1 1 16 16 VAL N N 16 128.611 128.611 125.253 3.357 18844 66 1 . 1 1 16 16 VAL HA H 16 4.205 4.205 4.352 -0.147 18844 67 1 . 1 1 16 16 VAL CA C 16 62.344 62.344 62.260 0.084 18844 68 1 . 1 1 16 16 VAL CB C 16 32.528 32.528 32.805 -0.277 18844 69 1 . 1 1 16 16 VAL H H 16 9.005 9.005 8.823 0.182 18844 70 1 . 1 1 17 17 THR N N 17 116.170 116.170 118.184 -2.014 18844 71 1 . 1 1 17 17 THR HA H 17 4.533 4.533 4.668 -0.135 18844 72 1 . 1 1 17 17 THR CA C 17 62.331 62.331 61.781 0.550 18844 73 1 . 1 1 17 17 THR CB C 17 70.040 70.040 68.971 1.069 18844 74 1 . 1 1 17 17 THR H H 17 8.746 8.746 8.620 0.126 18844 75 1 . 1 1 18 18 THR N N 18 107.517 107.517 116.198 -8.681 18844 76 1 . 1 1 18 18 THR HA H 18 4.173 4.173 4.162 0.011 18844 77 1 . 1 1 18 18 THR CA C 18 61.772 61.772 62.715 -0.943 18844 78 1 . 1 1 18 18 THR CB C 18 69.121 69.121 68.929 0.193 18844 79 1 . 1 1 18 18 THR H H 18 6.812 6.812 8.154 -1.342 18844 80 1 . 1 1 19 19 LEU N N 19 123.019 123.019 123.085 -0.066 18844 81 1 . 1 1 19 19 LEU HA H 19 4.583 4.583 4.356 0.227 18844 82 1 . 1 1 19 19 LEU CA C 19 54.180 54.180 54.436 -0.256 18844 83 1 . 1 1 19 19 LEU CB C 19 42.711 42.711 43.031 -0.320 18844 84 1 . 1 1 19 19 LEU H H 19 8.388 8.388 7.729 0.659 18844 85 1 . 1 1 20 20 SER N N 20 117.870 117.870 115.084 2.786 18844 86 1 . 1 1 20 20 SER HA H 20 4.863 4.863 4.894 -0.031 18844 87 1 . 1 1 20 20 SER CA C 20 56.832 56.832 56.698 0.134 18844 88 1 . 1 1 20 20 SER CB C 20 67.845 67.845 66.520 1.325 18844 89 1 . 1 1 20 20 SER H H 20 9.714 9.714 8.883 0.831 18844 90 1 . 1 1 21 21 GLU N N 21 116.130 116.130 121.778 -5.648 18844 91 1 . 1 1 21 21 GLU HA H 21 3.740 3.740 4.004 -0.264 18844 92 1 . 1 1 21 21 GLU CA C 21 59.134 59.134 59.476 -0.342 18844 93 1 . 1 1 21 21 GLU CB C 21 30.854 30.854 29.257 1.597 18844 94 1 . 1 1 21 21 GLU H H 21 8.491 8.491 8.924 -0.433 18844 95 1 . 1 1 22 22 ASP N N 22 115.741 115.741 117.943 -2.202 18844 96 1 . 1 1 22 22 ASP HA H 22 4.650 4.650 4.542 0.108 18844 97 1 . 1 1 22 22 ASP CA C 22 55.156 55.156 55.713 -0.557 18844 98 1 . 1 1 22 22 ASP CB C 22 42.579 42.579 40.888 1.691 18844 99 1 . 1 1 22 22 ASP H H 22 7.936 7.936 8.466 -0.530 18844 100 1 . 1 1 23 23 ASP N N 23 119.945 119.945 118.244 1.701 18844 101 1 . 1 1 23 23 ASP HA H 23 4.841 4.841 4.815 0.026 18844 102 1 . 1 1 23 23 ASP CA C 23 55.223 55.223 53.957 1.266 18844 103 1 . 1 1 23 23 ASP CB C 23 42.782 42.782 42.472 0.310 18844 104 1 . 1 1 23 23 ASP H H 23 7.313 7.313 8.027 -0.714 18844 105 1 . 1 1 24 24 THR N N 24 107.918 107.918 109.129 -1.211 18844 106 1 . 1 1 24 24 THR HA H 24 5.328 5.328 4.800 0.528 18844 107 1 . 1 1 24 24 THR CA C 24 60.989 60.989 60.181 0.809 18844 108 1 . 1 1 24 24 THR CB C 24 74.287 74.287 72.222 2.065 18844 109 1 . 1 1 24 24 THR H H 24 9.630 9.630 7.797 1.833 18844 110 1 . 1 1 25 25 VAL N N 25 120.192 120.192 121.487 -1.295 18844 111 1 . 1 1 25 25 VAL HA H 25 3.334 3.334 3.721 -0.387 18844 112 1 . 1 1 25 25 VAL CA C 25 67.626 67.626 67.014 0.612 18844 113 1 . 1 1 25 25 VAL CB C 25 32.149 32.149 31.379 0.770 18844 114 1 . 1 1 25 25 VAL H H 25 8.260 8.260 8.700 -0.440 18844 115 1 . 1 1 26 26 LEU N N 26 119.941 119.941 118.302 1.639 18844 116 1 . 1 1 26 26 LEU HA H 26 3.872 3.872 4.018 -0.146 18844 117 1 . 1 1 26 26 LEU CA C 26 58.592 58.592 58.283 0.309 18844 118 1 . 1 1 26 26 LEU CB C 26 41.716 41.716 41.230 0.486 18844 119 1 . 1 1 26 26 LEU H H 26 8.523 8.523 7.324 1.199 18844 120 1 . 1 1 27 27 ASP N N 27 118.322 118.322 118.740 -0.418 18844 121 1 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.429 -0.156 18844 122 1 . 1 1 27 27 ASP CA C 27 58.663 58.663 57.035 1.628 18844 123 1 . 1 1 27 27 ASP CB C 27 40.931 40.931 40.641 0.289 18844 124 1 . 1 1 27 27 ASP H H 27 7.581 7.581 8.270 -0.689 18844 125 1 . 1 1 28 28 LEU N N 28 122.021 122.021 120.264 1.756 18844 126 1 . 1 1 28 28 LEU HA H 28 4.083 4.083 4.183 -0.101 18844 127 1 . 1 1 28 28 LEU CA C 28 58.772 58.772 57.850 0.922 18844 128 1 . 1 1 28 28 LEU CB C 28 41.225 41.225 42.354 -1.129 18844 129 1 . 1 1 28 28 LEU H H 28 7.837 7.837 7.421 0.416 18844 130 1 . 1 1 29 29 LYS N N 29 119.086 119.086 119.640 -0.554 18844 131 1 . 1 1 29 29 LYS HA H 29 4.520 4.520 3.944 0.576 18844 132 1 . 1 1 29 29 LYS CA C 29 59.787 59.787 60.548 -0.762 18844 133 1 . 1 1 29 29 LYS CB C 29 34.297 34.297 32.149 2.148 18844 134 1 . 1 1 29 29 LYS H H 29 8.467 8.467 8.556 -0.088 18844 135 1 . 1 1 30 30 GLN N N 30 119.268 119.268 118.481 0.787 18844 136 1 . 1 1 30 30 GLN HA H 30 3.932 3.932 4.029 -0.097 18844 137 1 . 1 1 30 30 GLN CA C 30 59.663 59.663 58.646 1.017 18844 138 1 . 1 1 30 30 GLN CB C 30 27.806 27.806 27.993 -0.187 18844 139 1 . 1 1 30 30 GLN H H 30 9.049 9.049 8.062 0.987 18844 140 1 . 1 1 31 31 PHE N N 31 121.690 121.690 120.282 1.408 18844 141 1 . 1 1 31 31 PHE HA H 31 4.218 4.218 4.299 -0.081 18844 142 1 . 1 1 31 31 PHE CA C 31 61.967 61.967 60.573 1.394 18844 143 1 . 1 1 31 31 PHE CB C 31 39.374 39.374 39.573 -0.199 18844 144 1 . 1 1 31 31 PHE H H 31 8.039 8.039 7.439 0.600 18844 145 1 . 1 1 32 32 LEU N N 32 118.232 118.232 118.026 0.206 18844 146 1 . 1 1 32 32 LEU HA H 32 3.637 3.637 3.928 -0.291 18844 147 1 . 1 1 32 32 LEU CA C 32 57.708 57.708 58.176 -0.468 18844 148 1 . 1 1 32 32 LEU CB C 32 41.270 41.270 41.283 -0.013 18844 149 1 . 1 1 32 32 LEU H H 32 8.776 8.776 8.383 0.393 18844 150 1 . 1 1 33 33 LYS N N 33 125.920 125.920 118.585 7.335 18844 151 1 . 1 1 33 33 LYS HA H 33 3.802 3.802 3.856 -0.054 18844 152 1 . 1 1 33 33 LYS CA C 33 60.116 60.116 59.110 1.006 18844 153 1 . 1 1 33 33 LYS CB C 33 31.701 31.701 31.503 0.198 18844 154 1 . 1 1 33 33 LYS H H 33 8.237 8.237 8.470 -0.233 18844 155 1 . 1 1 34 34 THR N N 34 114.544 114.544 112.203 2.341 18844 156 1 . 1 1 34 34 THR HA H 34 3.773 3.773 4.087 -0.314 18844 157 1 . 1 1 34 34 THR CA C 34 65.749 65.749 63.936 1.813 18844 158 1 . 1 1 34 34 THR CB C 34 68.620 68.620 68.669 -0.049 18844 159 1 . 1 1 34 34 THR H H 34 7.281 7.281 7.092 0.189 18844 160 1 . 1 1 35 35 LEU N N 35 117.590 117.590 120.391 -2.801 18844 161 1 . 1 1 35 35 LEU HA H 35 4.018 4.018 4.110 -0.092 18844 162 1 . 1 1 35 35 LEU CA C 35 57.015 57.015 57.102 -0.087 18844 163 1 . 1 1 35 35 LEU CB C 35 44.003 44.003 42.527 1.476 18844 164 1 . 1 1 35 35 LEU H H 35 6.752 6.752 7.612 -0.860 18844 165 1 . 1 1 36 36 THR N N 36 104.865 104.865 109.574 -4.709 18844 166 1 . 1 1 36 36 THR HA H 36 3.967 3.967 4.318 -0.351 18844 167 1 . 1 1 36 36 THR CA C 36 62.756 62.756 61.999 0.757 18844 168 1 . 1 1 36 36 THR CB C 36 72.343 72.343 70.063 2.280 18844 169 1 . 1 1 36 36 THR H H 36 7.675 7.675 7.588 0.087 18844 170 1 . 1 1 37 37 GLY N N 37 109.795 109.795 109.675 0.120 18844 171 1 . 1 1 37 37 GLY CA C 37 45.559 45.559 44.546 1.013 18844 172 1 . 1 1 37 37 GLY H H 37 7.971 7.971 7.379 0.592 18844 173 1 . 1 1 38 38 VAL N N 38 122.557 122.557 119.353 3.204 18844 174 1 . 1 1 38 38 VAL HA H 38 3.638 3.638 4.011 -0.373 18844 175 1 . 1 1 38 38 VAL CA C 38 62.437 62.437 60.227 2.210 18844 176 1 . 1 1 38 38 VAL CB C 38 31.390 31.390 33.449 -2.059 18844 177 1 . 1 1 38 38 VAL H H 38 7.533 7.533 7.460 0.073 18844 178 1 . 1 1 39 39 LEU N N 39 127.828 127.828 123.070 4.758 18844 179 1 . 1 1 39 39 LEU HA H 39 3.994 3.994 4.417 -0.423 18844 180 1 . 1 1 39 39 LEU CA C 39 54.437 54.437 53.368 1.069 18844 181 1 . 1 1 39 39 LEU CB C 39 40.557 40.557 40.135 0.422 18844 182 1 . 1 1 39 39 LEU H H 39 8.634 8.634 8.279 0.355 18844 183 1 . 1 1 40 40 PRO HA H 40 3.839 3.839 4.626 -0.787 18844 184 1 . 1 1 40 40 PRO CA C 40 66.989 66.989 64.698 2.291 18844 185 1 . 1 1 40 40 PRO CB C 40 32.322 32.322 31.942 0.380 18844 186 1 . 1 1 41 41 GLU N N 41 114.752 114.752 118.006 -3.254 18844 187 1 . 1 1 41 41 GLU HA H 41 4.071 4.071 4.086 -0.015 18844 188 1 . 1 1 41 41 GLU CA C 41 58.938 58.938 58.576 0.362 18844 189 1 . 1 1 41 41 GLU CB C 41 28.824 28.824 29.376 -0.552 18844 190 1 . 1 1 41 41 GLU H H 41 9.746 9.746 8.639 1.107 18844 191 1 . 1 1 42 42 ARG N N 42 118.145 118.145 115.865 2.280 18844 192 1 . 1 1 42 42 ARG HA H 42 4.315 4.315 4.439 -0.124 18844 193 1 . 1 1 42 42 ARG CA C 42 55.448 55.448 56.842 -1.394 18844 194 1 . 1 1 42 42 ARG CB C 42 31.105 31.105 31.840 -0.735 18844 195 1 . 1 1 42 42 ARG H H 42 7.938 7.938 7.559 0.379 18844 196 1 . 1 1 43 43 GLN N N 43 118.250 118.250 118.333 -0.082 18844 197 1 . 1 1 43 43 GLN HA H 43 4.251 4.251 4.765 -0.514 18844 198 1 . 1 1 43 43 GLN CA C 43 56.537 56.537 54.692 1.845 18844 199 1 . 1 1 43 43 GLN CB C 43 30.992 30.992 30.956 0.036 18844 200 1 . 1 1 43 43 GLN H H 43 7.034 7.034 7.793 -0.759 18844 201 1 . 1 1 44 44 LYS N N 44 122.693 122.693 119.969 2.724 18844 202 1 . 1 1 44 44 LYS HA H 44 4.464 4.464 4.723 -0.259 18844 203 1 . 1 1 44 44 LYS CA C 44 55.552 55.552 54.425 1.127 18844 204 1 . 1 1 44 44 LYS CB C 44 34.325 34.325 34.884 -0.559 18844 205 1 . 1 1 44 44 LYS H H 44 8.806 8.806 8.881 -0.075 18844 206 1 . 1 1 45 45 LEU N N 45 124.806 124.806 124.136 0.670 18844 207 1 . 1 1 45 45 LEU HA H 45 4.943 4.943 4.270 0.673 18844 208 1 . 1 1 45 45 LEU CA C 45 53.542 53.542 55.199 -1.657 18844 209 1 . 1 1 45 45 LEU CB C 45 41.821 41.821 40.888 0.933 18844 210 1 . 1 1 45 45 LEU H H 45 8.704 8.704 8.692 0.012 18844 211 1 . 1 1 46 46 LEU N N 46 124.709 124.709 126.126 -1.417 18844 212 1 . 1 1 46 46 LEU HA H 46 4.358 4.358 4.376 -0.018 18844 213 1 . 1 1 46 46 LEU CA C 46 55.759 55.759 57.071 -1.312 18844 214 1 . 1 1 46 46 LEU CB C 46 42.526 42.526 41.975 0.551 18844 215 1 . 1 1 46 46 LEU H H 46 8.751 8.751 7.914 0.837 18844 216 1 . 1 1 47 47 GLY N N 47 109.276 109.276 107.125 2.151 18844 217 1 . 1 1 47 47 GLY CA C 47 45.560 45.560 44.747 0.813 18844 218 1 . 1 1 47 47 GLY H H 47 8.300 8.300 8.375 -0.075 18844 219 1 . 1 1 48 48 LEU N N 48 119.707 119.707 117.386 2.321 18844 220 1 . 1 1 48 48 LEU HA H 48 4.590 4.590 4.195 0.395 18844 221 1 . 1 1 48 48 LEU CA C 48 53.945 53.945 56.451 -2.506 18844 222 1 . 1 1 48 48 LEU CB C 48 41.414 41.414 42.137 -0.723 18844 223 1 . 1 1 48 48 LEU H H 48 7.581 7.581 7.435 0.146 18844 224 1 . 1 1 49 49 LYS N N 49 124.527 124.527 117.538 6.989 18844 225 1 . 1 1 49 49 LYS HA H 49 4.852 4.852 4.572 0.280 18844 226 1 . 1 1 49 49 LYS CA C 49 55.663 55.663 54.891 0.772 18844 227 1 . 1 1 49 49 LYS CB C 49 37.581 37.581 34.580 3.001 18844 228 1 . 1 1 49 49 LYS H H 49 8.606 8.606 7.289 1.317 18844 229 1 . 1 1 50 50 VAL N N 50 119.184 119.184 121.540 -2.356 18844 230 1 . 1 1 50 50 VAL HA H 50 4.113 4.113 4.313 -0.200 18844 231 1 . 1 1 50 50 VAL CA C 50 61.865 61.865 60.665 1.200 18844 232 1 . 1 1 50 50 VAL CB C 50 34.734 34.734 35.128 -0.394 18844 233 1 . 1 1 50 50 VAL H H 50 8.799 8.799 8.533 0.266 18844 234 1 . 1 1 51 51 LYS N N 51 127.069 127.069 126.165 0.904 18844 235 1 . 1 1 51 51 LYS HA H 51 3.824 3.824 3.973 -0.149 18844 236 1 . 1 1 51 51 LYS CA C 51 57.407 57.407 56.990 0.417 18844 237 1 . 1 1 51 51 LYS CB C 51 30.655 30.655 30.700 -0.045 18844 238 1 . 1 1 51 51 LYS H H 51 9.451 9.451 9.111 0.340 18844 239 1 . 1 1 52 52 GLY N N 52 102.671 102.671 103.573 -0.902 18844 240 1 . 1 1 52 52 GLY CA C 52 45.810 45.810 45.053 0.757 18844 241 1 . 1 1 52 52 GLY H H 52 8.512 8.512 8.225 0.287 18844 242 1 . 1 1 53 53 LYS N N 53 121.307 121.307 121.881 -0.574 18844 243 1 . 1 1 53 53 LYS HA H 53 4.829 4.829 4.657 0.172 18844 244 1 . 1 1 53 53 LYS CA C 53 53.616 53.616 53.074 0.542 18844 245 1 . 1 1 53 53 LYS CB C 53 33.940 33.940 32.509 1.431 18844 246 1 . 1 1 53 53 LYS H H 53 7.781 7.781 7.848 -0.067 18844 247 1 . 1 1 54 54 PRO HA H 54 4.376 4.376 4.263 0.113 18844 248 1 . 1 1 54 54 PRO CA C 54 63.817 63.817 64.184 -0.366 18844 249 1 . 1 1 54 54 PRO CB C 54 32.151 32.151 31.878 0.273 18844 250 1 . 1 1 55 55 ALA N N 55 125.654 125.654 119.438 6.216 18844 251 1 . 1 1 55 55 ALA HA H 55 4.138 4.138 3.957 0.181 18844 252 1 . 1 1 55 55 ALA CA C 55 52.664 52.664 52.873 -0.209 18844 253 1 . 1 1 55 55 ALA CB C 55 20.044 20.044 17.827 2.217 18844 254 1 . 1 1 55 55 ALA H H 55 8.114 8.114 8.035 0.079 18844 255 1 . 1 1 56 56 GLU N N 56 122.313 122.313 118.427 3.886 18844 256 1 . 1 1 56 56 GLU HA H 56 4.215 4.215 4.035 0.180 18844 257 1 . 1 1 56 56 GLU CA C 56 56.089 56.089 59.214 -3.125 18844 258 1 . 1 1 56 56 GLU CB C 56 31.086 31.086 30.131 0.955 18844 259 1 . 1 1 56 56 GLU H H 56 8.179 8.179 8.650 -0.471 18844 260 1 . 1 1 57 57 ASN N N 57 115.140 115.140 109.789 5.351 18844 261 1 . 1 1 57 57 ASN HA H 57 4.229 4.229 4.696 -0.467 18844 262 1 . 1 1 57 57 ASN CA C 57 55.199 55.199 53.890 1.309 18844 263 1 . 1 1 57 57 ASN CB C 57 39.227 39.227 38.656 0.571 18844 264 1 . 1 1 57 57 ASN H H 57 8.504 8.504 7.951 0.553 18844 265 1 . 1 1 58 58 ASP N N 58 112.832 112.832 120.312 -7.480 18844 266 1 . 1 1 58 58 ASP HA H 58 4.488 4.488 4.534 -0.046 18844 267 1 . 1 1 58 58 ASP CA C 58 53.608 53.608 54.990 -1.382 18844 268 1 . 1 1 58 58 ASP CB C 58 40.304 40.304 40.694 -0.390 18844 269 1 . 1 1 58 58 ASP H H 58 8.198 8.198 8.535 -0.337 18844 270 1 . 1 1 59 59 VAL N N 59 122.073 122.073 119.388 2.685 18844 271 1 . 1 1 59 59 VAL HA H 59 3.593 3.593 4.066 -0.473 18844 272 1 . 1 1 59 59 VAL CA C 59 63.840 63.840 61.656 2.184 18844 273 1 . 1 1 59 59 VAL CB C 59 32.322 32.322 32.886 -0.564 18844 274 1 . 1 1 59 59 VAL H H 59 7.353 7.353 7.510 -0.157 18844 275 1 . 1 1 60 60 LYS N N 60 125.064 125.064 123.882 1.182 18844 276 1 . 1 1 60 60 LYS HA H 60 4.447 4.447 4.584 -0.137 18844 277 1 . 1 1 60 60 LYS CA C 60 56.185 56.185 55.418 0.767 18844 278 1 . 1 1 60 60 LYS CB C 60 33.105 33.105 33.730 -0.625 18844 279 1 . 1 1 60 60 LYS H H 60 8.339 8.339 8.274 0.066 18844 280 1 . 1 1 61 61 LEU N N 61 121.612 121.612 122.424 -0.812 18844 281 1 . 1 1 61 61 LEU HA H 61 3.776 3.776 3.998 -0.222 18844 282 1 . 1 1 61 61 LEU CA C 61 57.987 57.987 58.111 -0.124 18844 283 1 . 1 1 61 61 LEU CB C 61 40.832 40.832 41.758 -0.926 18844 284 1 . 1 1 61 61 LEU H H 61 9.423 9.423 8.855 0.568 18844 285 1 . 1 1 62 62 GLY N N 62 104.008 104.008 103.137 0.871 18844 286 1 . 1 1 62 62 GLY CA C 62 46.772 46.772 45.646 1.126 18844 287 1 . 1 1 62 62 GLY H H 62 9.107 9.107 8.084 1.023 18844 288 1 . 1 1 63 63 ALA N N 63 122.025 122.025 123.028 -1.003 18844 289 1 . 1 1 63 63 ALA HA H 63 4.273 4.273 4.369 -0.096 18844 290 1 . 1 1 63 63 ALA CA C 63 53.421 53.421 53.616 -0.195 18844 291 1 . 1 1 63 63 ALA CB C 63 18.816 18.816 18.849 -0.033 18844 292 1 . 1 1 63 63 ALA H H 63 7.755 7.755 7.647 0.108 18844 293 1 . 1 1 64 64 LEU N N 64 115.454 115.454 115.480 -0.026 18844 294 1 . 1 1 64 64 LEU HA H 64 4.068 4.068 4.209 -0.141 18844 295 1 . 1 1 64 64 LEU CA C 64 55.567 55.567 55.344 0.223 18844 296 1 . 1 1 64 64 LEU CB C 64 42.136 42.136 42.257 -0.121 18844 297 1 . 1 1 64 64 LEU H H 64 7.214 7.214 7.437 -0.223 18844 298 1 . 1 1 65 65 LYS N N 65 114.830 114.830 114.161 0.669 18844 299 1 . 1 1 65 65 LYS HA H 65 3.838 3.838 3.881 -0.043 18844 300 1 . 1 1 65 65 LYS CA C 65 56.737 56.737 56.653 0.084 18844 301 1 . 1 1 65 65 LYS CB C 65 29.307 29.307 29.234 0.073 18844 302 1 . 1 1 65 65 LYS H H 65 7.642 7.642 7.662 -0.020 18844 303 1 . 1 1 66 66 LEU N N 66 119.305 119.305 119.911 -0.606 18844 304 1 . 1 1 66 66 LEU HA H 66 4.163 4.163 4.326 -0.163 18844 305 1 . 1 1 66 66 LEU CA C 66 54.847 54.847 54.410 0.437 18844 306 1 . 1 1 66 66 LEU CB C 66 42.712 42.712 43.082 -0.370 18844 307 1 . 1 1 66 66 LEU H H 66 8.516 8.516 7.705 0.811 18844 308 1 . 1 1 67 67 LYS N N 67 121.480 121.480 122.869 -1.389 18844 309 1 . 1 1 67 67 LYS HA H 67 4.497 4.497 4.405 0.092 18844 310 1 . 1 1 67 67 LYS CA C 67 54.152 54.152 55.539 -1.387 18844 311 1 . 1 1 67 67 LYS CB C 67 31.999 31.999 32.228 -0.229 18844 312 1 . 1 1 67 67 LYS H H 67 7.955 7.955 8.145 -0.190 18844 313 1 . 1 1 68 68 PRO HA H 68 4.169 4.169 4.704 -0.535 18844 314 1 . 1 1 68 68 PRO CA C 68 64.389 64.389 65.107 -0.718 18844 315 1 . 1 1 68 68 PRO CB C 68 32.214 32.214 32.304 -0.090 18844 316 1 . 1 1 69 69 ASN N N 69 115.414 115.414 115.951 -0.537 18844 317 1 . 1 1 69 69 ASN HA H 69 3.962 3.962 4.610 -0.648 18844 318 1 . 1 1 69 69 ASN CA C 69 55.021 55.021 53.690 1.331 18844 319 1 . 1 1 69 69 ASN CB C 69 37.047 37.047 37.757 -0.710 18844 320 1 . 1 1 69 69 ASN H H 69 8.966 8.966 8.235 0.731 18844 321 1 . 1 1 70 70 THR N N 70 115.426 115.426 116.895 -1.469 18844 322 1 . 1 1 70 70 THR HA H 70 3.949 3.949 4.092 -0.143 18844 323 1 . 1 1 70 70 THR CA C 70 65.247 65.247 64.235 1.012 18844 324 1 . 1 1 70 70 THR CB C 70 70.132 70.132 69.275 0.857 18844 325 1 . 1 1 70 70 THR H H 70 7.712 7.712 7.721 -0.009 18844 326 1 . 1 1 71 71 LYS N N 71 124.603 124.603 125.508 -0.905 18844 327 1 . 1 1 71 71 LYS HA H 71 5.179 5.179 5.034 0.145 18844 328 1 . 1 1 71 71 LYS CA C 71 55.340 55.340 55.443 -0.103 18844 329 1 . 1 1 71 71 LYS CB C 71 33.729 33.729 34.091 -0.362 18844 330 1 . 1 1 71 71 LYS H H 71 8.284 8.284 8.314 -0.030 18844 331 1 . 1 1 72 72 ILE N N 72 123.505 123.505 123.618 -0.113 18844 332 1 . 1 1 72 72 ILE HA H 72 4.511 4.511 4.384 0.127 18844 333 1 . 1 1 72 72 ILE CA C 72 59.636 59.636 59.236 0.400 18844 334 1 . 1 1 72 72 ILE CB C 72 40.827 40.827 39.480 1.347 18844 335 1 . 1 1 72 72 ILE H H 72 9.142 9.142 8.458 0.684 18844 336 1 . 1 1 73 73 MET N N 73 123.090 123.090 125.681 -2.591 18844 337 1 . 1 1 73 73 MET HA H 73 5.122 5.122 5.073 0.049 18844 338 1 . 1 1 73 73 MET CA C 73 54.949 54.949 55.194 -0.245 18844 339 1 . 1 1 73 73 MET CB C 73 35.143 35.143 35.153 -0.010 18844 340 1 . 1 1 73 73 MET H H 73 8.556 8.556 8.893 -0.337 18844 341 1 . 1 1 74 74 MET N N 74 124.481 124.481 121.180 3.301 18844 342 1 . 1 1 74 74 MET HA H 74 5.288 5.288 4.905 0.383 18844 343 1 . 1 1 74 74 MET CA C 74 54.862 54.862 55.052 -0.190 18844 344 1 . 1 1 74 74 MET CB C 74 36.294 36.294 35.466 0.828 18844 345 1 . 1 1 74 74 MET H H 74 8.924 8.924 8.732 0.192 18844 346 1 . 1 1 75 75 MET N N 75 123.963 123.963 123.386 0.577 18844 347 1 . 1 1 75 75 MET HA H 75 5.093 5.093 5.027 0.066 18844 348 1 . 1 1 75 75 MET CA C 75 54.265 54.265 54.369 -0.105 18844 349 1 . 1 1 75 75 MET CB C 75 35.566 35.566 34.241 1.325 18844 350 1 . 1 1 75 75 MET H H 75 9.112 9.112 8.380 0.732 18844 351 1 . 1 1 76 76 GLY N N 76 109.773 109.773 111.024 -1.251 18844 352 1 . 1 1 76 76 GLY CA C 76 45.901 45.901 45.254 0.647 18844 353 1 . 1 1 76 76 GLY H H 76 8.711 8.711 8.750 -0.039 18844 354 1 . 1 1 77 77 THR N N 77 113.345 113.345 114.681 -1.336 18844 355 1 . 1 1 77 77 THR HA H 77 4.787 4.787 4.673 0.114 18844 356 1 . 1 1 77 77 THR CA C 77 60.728 60.728 60.258 0.470 18844 357 1 . 1 1 77 77 THR CB C 77 71.481 71.481 70.508 0.973 18844 358 1 . 1 1 77 77 THR H H 77 8.280 8.280 8.276 0.004 18844 359 1 . 1 1 78 78 ARG N N 78 122.844 122.844 125.630 -2.786 18844 360 1 . 1 1 78 78 ARG HA H 78 4.148 4.148 4.301 -0.153 18844 361 1 . 1 1 78 78 ARG CA C 78 56.881 56.881 56.115 0.766 18844 362 1 . 1 1 78 78 ARG CB C 78 31.607 31.607 30.950 0.657 18844 363 1 . 1 1 78 78 ARG H H 78 8.852 8.852 8.471 0.381 18844 364 1 . 1 1 79 79 GLU N N 79 122.181 122.181 121.801 0.380 18844 365 1 . 1 1 79 79 GLU HA H 79 4.206 4.206 4.190 0.016 18844 366 1 . 1 1 79 79 GLU CA C 79 57.007 57.007 56.798 0.209 18844 367 1 . 1 1 79 79 GLU CB C 79 30.764 30.764 29.899 0.865 18844 368 1 . 1 1 79 79 GLU H H 79 8.300 8.300 8.476 -0.176 18844 369 1 . 1 1 80 80 GLU N N 80 126.965 126.965 121.044 5.921 18844 370 1 . 1 1 80 80 GLU HA H 80 4.049 4.049 4.305 -0.256 18844 371 1 . 1 1 80 80 GLU CA C 80 58.328 58.328 56.958 1.370 18844 372 1 . 1 1 80 80 GLU CB C 80 31.287 31.287 29.812 1.475 18844 373 1 . 1 1 80 80 GLU H H 80 8.015 8.015 8.635 -0.620 18844 stop_ save_