data_18082 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18082 _Entry.PDB_ID 2LLO 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 18082 _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 ASP N N 2 117.390 117.390 120.809 -3.419 18082 2 1 1 . 1 1 2 2 ASP HA H 2 4.521 4.521 4.737 -0.216 18082 3 1 1 . 1 1 2 2 ASP CA C 2 55.014 55.014 54.177 0.837 18082 4 1 1 . 1 1 2 2 ASP CB C 2 40.955 40.955 39.113 1.842 18082 5 1 1 . 1 1 2 2 ASP H H 2 8.039 8.039 8.569 -0.530 18082 6 1 1 . 1 1 3 3 GLN N N 3 118.072 118.072 119.149 -1.077 18082 7 1 1 . 1 1 3 3 GLN HA H 3 4.357 4.357 4.130 0.227 18082 8 1 1 . 1 1 3 3 GLN CA C 3 55.636 55.636 58.047 -2.411 18082 9 1 1 . 1 1 3 3 GLN CB C 3 29.695 29.695 29.194 0.501 18082 10 1 1 . 1 1 3 3 GLN H H 3 7.949 7.949 7.730 0.219 18082 11 1 1 . 1 1 4 4 LEU N N 4 121.793 121.793 119.637 2.156 18082 12 1 1 . 1 1 4 4 LEU HA H 4 4.692 4.692 4.439 0.253 18082 13 1 1 . 1 1 4 4 LEU CA C 4 54.358 54.358 53.969 0.389 18082 14 1 1 . 1 1 4 4 LEU CB C 4 43.712 43.712 40.254 3.458 18082 15 1 1 . 1 1 4 4 LEU H H 4 7.841 7.841 8.205 -0.364 18082 16 1 1 . 1 1 5 5 THR N N 5 112.587 112.587 115.313 -2.726 18082 17 1 1 . 1 1 5 5 THR HA H 5 4.772 4.772 4.255 0.517 18082 18 1 1 . 1 1 5 5 THR CA C 5 60.388 60.388 62.526 -2.138 18082 19 1 1 . 1 1 5 5 THR CB C 5 71.243 71.243 69.846 1.397 18082 20 1 1 . 1 1 5 5 THR H H 5 8.625 8.625 7.773 0.852 18082 21 1 1 . 1 1 6 6 GLU N N 6 120.574 120.574 119.448 1.126 18082 22 1 1 . 1 1 6 6 GLU HA H 6 3.976 3.976 4.219 -0.243 18082 23 1 1 . 1 1 6 6 GLU CA C 6 60.180 60.180 57.232 2.948 18082 24 1 1 . 1 1 6 6 GLU CB C 6 29.285 29.285 29.151 0.133 18082 25 1 1 . 1 1 6 6 GLU H H 6 8.995 8.995 8.780 0.215 18082 26 1 1 . 1 1 7 7 GLU N N 7 119.338 119.338 118.715 0.623 18082 27 1 1 . 1 1 7 7 GLU HA H 7 4.063 4.063 4.332 -0.269 18082 28 1 1 . 1 1 7 7 GLU CA C 7 60.062 60.062 56.963 3.099 18082 29 1 1 . 1 1 7 7 GLU CB C 7 29.198 29.198 29.736 -0.538 18082 30 1 1 . 1 1 7 7 GLU H H 7 8.678 8.678 8.251 0.427 18082 31 1 1 . 1 1 8 8 GLN N N 8 120.308 120.308 118.895 1.413 18082 32 1 1 . 1 1 8 8 GLN HA H 8 3.874 3.874 4.201 -0.327 18082 33 1 1 . 1 1 8 8 GLN CA C 8 58.626 58.626 57.096 1.530 18082 34 1 1 . 1 1 8 8 GLN CB C 8 29.201 29.201 29.409 -0.208 18082 35 1 1 . 1 1 8 8 GLN H H 8 7.684 7.684 8.161 -0.477 18082 36 1 1 . 1 1 9 9 ILE N N 9 119.371 119.371 120.404 -1.033 18082 37 1 1 . 1 1 9 9 ILE HA H 9 3.675 3.675 3.725 -0.050 18082 38 1 1 . 1 1 9 9 ILE CA C 9 66.241 66.241 64.629 1.611 18082 39 1 1 . 1 1 9 9 ILE CB C 9 37.702 37.702 37.452 0.251 18082 40 1 1 . 1 1 9 9 ILE H H 9 8.339 8.339 7.679 0.660 18082 41 1 1 . 1 1 10 10 ALA N N 10 121.339 121.339 119.969 1.370 18082 42 1 1 . 1 1 10 10 ALA HA H 10 4.118 4.118 4.046 0.072 18082 43 1 1 . 1 1 10 10 ALA CA C 10 55.648 55.648 54.577 1.071 18082 44 1 1 . 1 1 10 10 ALA CB C 10 17.908 17.908 18.155 -0.247 18082 45 1 1 . 1 1 10 10 ALA H H 10 8.048 8.048 8.247 -0.199 18082 46 1 1 . 1 1 11 11 GLU N N 11 119.886 119.886 116.949 2.937 18082 47 1 1 . 1 1 11 11 GLU HA H 11 4.187 4.187 4.206 -0.019 18082 48 1 1 . 1 1 11 11 GLU CA C 11 59.577 59.577 57.633 1.944 18082 49 1 1 . 1 1 11 11 GLU CB C 11 29.306 29.306 29.493 -0.187 18082 50 1 1 . 1 1 11 11 GLU H H 11 7.792 7.792 7.835 -0.043 18082 51 1 1 . 1 1 12 12 PHE N N 12 119.957 119.957 119.708 0.249 18082 52 1 1 . 1 1 12 12 PHE HA H 12 5.011 5.011 4.511 0.500 18082 53 1 1 . 1 1 12 12 PHE CA C 12 59.173 59.173 59.760 -0.587 18082 54 1 1 . 1 1 12 12 PHE CB C 12 37.617 37.617 38.841 -1.224 18082 55 1 1 . 1 1 12 12 PHE H H 12 8.527 8.527 7.222 1.305 18082 56 1 1 . 1 1 13 13 LYS N N 13 123.937 123.937 119.188 4.749 18082 57 1 1 . 1 1 13 13 LYS HA H 13 4.015 4.015 4.324 -0.309 18082 58 1 1 . 1 1 13 13 LYS CA C 13 60.169 60.169 59.643 0.526 18082 59 1 1 . 1 1 13 13 LYS CB C 13 31.986 31.986 32.126 -0.140 18082 60 1 1 . 1 1 13 13 LYS H H 13 9.246 9.246 7.887 1.359 18082 61 1 1 . 1 1 14 14 GLU N N 14 120.885 120.885 119.177 1.708 18082 62 1 1 . 1 1 14 14 GLU HA H 14 4.130 4.130 4.176 -0.046 18082 63 1 1 . 1 1 14 14 GLU CA C 14 59.653 59.653 58.684 0.969 18082 64 1 1 . 1 1 14 14 GLU CB C 14 29.125 29.125 28.997 0.128 18082 65 1 1 . 1 1 14 14 GLU H H 14 7.956 7.956 7.956 -0.000 18082 66 1 1 . 1 1 15 15 ALA N N 15 121.878 121.878 121.771 0.107 18082 67 1 1 . 1 1 15 15 ALA HA H 15 4.257 4.257 3.957 0.300 18082 68 1 1 . 1 1 15 15 ALA CA C 15 55.565 55.565 54.711 0.854 18082 69 1 1 . 1 1 15 15 ALA CB C 15 18.237 18.237 17.638 0.599 18082 70 1 1 . 1 1 15 15 ALA H H 15 8.129 8.129 7.388 0.741 18082 71 1 1 . 1 1 16 16 PHE N N 16 118.993 118.993 111.939 7.054 18082 72 1 1 . 1 1 16 16 PHE HA H 16 3.326 3.326 4.352 -1.026 18082 73 1 1 . 1 1 16 16 PHE CA C 16 62.270 62.270 59.251 3.019 18082 74 1 1 . 1 1 16 16 PHE CB C 16 39.695 39.695 38.010 1.685 18082 75 1 1 . 1 1 16 16 PHE H H 16 8.800 8.800 7.510 1.290 18082 76 1 1 . 1 1 17 17 SER N N 17 113.609 113.609 113.899 -0.290 18082 77 1 1 . 1 1 17 17 SER HA H 17 4.166 4.166 4.633 -0.467 18082 78 1 1 . 1 1 17 17 SER CA C 17 61.564 61.564 60.024 1.540 18082 79 1 1 . 1 1 17 17 SER CB C 17 63.457 63.457 65.383 -1.926 18082 80 1 1 . 1 1 17 17 SER H H 17 8.062 8.062 7.657 0.405 18082 81 1 1 . 1 1 18 18 LEU N N 18 120.325 120.325 120.582 -0.257 18082 82 1 1 . 1 1 18 18 LEU HA H 18 4.005 4.005 4.446 -0.441 18082 83 1 1 . 1 1 18 18 LEU CA C 18 57.028 57.028 56.130 0.898 18082 84 1 1 . 1 1 18 18 LEU CB C 18 41.523 41.523 42.850 -1.327 18082 85 1 1 . 1 1 18 18 LEU H H 18 7.452 7.452 8.293 -0.841 18082 86 1 1 . 1 1 19 19 PHE N N 19 113.738 113.738 120.453 -6.715 18082 87 1 1 . 1 1 19 19 PHE HA H 19 4.245 4.245 4.316 -0.071 18082 88 1 1 . 1 1 19 19 PHE CA C 19 59.530 59.530 60.524 -0.994 18082 89 1 1 . 1 1 19 19 PHE CB C 19 41.928 41.928 40.315 1.613 18082 90 1 1 . 1 1 19 19 PHE H H 19 7.187 7.187 8.403 -1.216 18082 91 1 1 . 1 1 20 20 ASP N N 20 116.566 116.566 117.624 -1.058 18082 92 1 1 . 1 1 20 20 ASP HA H 20 4.565 4.565 4.669 -0.104 18082 93 1 1 . 1 1 20 20 ASP CA C 20 52.488 52.488 54.224 -1.736 18082 94 1 1 . 1 1 20 20 ASP CB C 20 39.280 39.280 42.421 -3.141 18082 95 1 1 . 1 1 20 20 ASP H H 20 7.733 7.733 7.721 0.012 18082 96 1 1 . 1 1 21 21 LYS N N 21 124.387 124.387 123.273 1.114 18082 97 1 1 . 1 1 21 21 LYS HA H 21 3.987 3.987 4.563 -0.576 18082 98 1 1 . 1 1 21 21 LYS CA C 21 58.353 58.353 55.570 2.783 18082 99 1 1 . 1 1 21 21 LYS CB C 21 32.514 32.514 33.091 -0.577 18082 100 1 1 . 1 1 21 21 LYS H H 21 7.668 7.668 8.470 -0.802 18082 101 1 1 . 1 1 22 22 ASP N N 22 114.142 114.142 119.129 -4.987 18082 102 1 1 . 1 1 22 22 ASP HA H 22 4.594 4.594 4.654 -0.060 18082 103 1 1 . 1 1 22 22 ASP CA C 22 52.934 52.934 54.745 -1.811 18082 104 1 1 . 1 1 22 22 ASP CB C 22 39.645 39.645 42.432 -2.787 18082 105 1 1 . 1 1 22 22 ASP H H 22 8.135 8.135 8.118 0.017 18082 106 1 1 . 1 1 23 23 GLY N N 23 109.286 109.286 109.044 0.242 18082 107 1 1 . 1 1 23 23 GLY CA C 23 47.308 47.308 45.398 1.910 18082 108 1 1 . 1 1 23 23 GLY H H 23 7.683 7.683 8.617 -0.934 18082 109 1 1 . 1 1 24 24 ASP N N 24 120.949 120.949 119.988 0.961 18082 110 1 1 . 1 1 24 24 ASP HA H 24 4.525 4.525 4.732 -0.207 18082 111 1 1 . 1 1 24 24 ASP CA C 24 53.891 53.891 52.926 0.965 18082 112 1 1 . 1 1 24 24 ASP CB C 24 40.513 40.513 41.333 -0.820 18082 113 1 1 . 1 1 24 24 ASP H H 24 8.477 8.477 8.654 -0.177 18082 114 1 1 . 1 1 25 25 GLY N N 25 112.905 112.905 109.247 3.658 18082 115 1 1 . 1 1 25 25 GLY CA C 25 45.496 45.496 45.787 -0.291 18082 116 1 1 . 1 1 25 25 GLY H H 25 10.567 10.567 8.451 2.116 18082 117 1 1 . 1 1 26 26 THR N N 26 112.165 112.165 109.698 2.467 18082 118 1 1 . 1 1 26 26 THR HA H 26 5.421 5.421 5.415 0.006 18082 119 1 1 . 1 1 26 26 THR CA C 26 59.692 59.692 59.337 0.355 18082 120 1 1 . 1 1 26 26 THR CB C 26 72.792 72.792 72.808 -0.017 18082 121 1 1 . 1 1 26 26 THR H H 26 8.238 8.238 8.555 -0.317 18082 122 1 1 . 1 1 27 27 ILE N N 27 126.801 126.801 124.048 2.753 18082 123 1 1 . 1 1 27 27 ILE HA H 27 4.846 4.846 4.500 0.345 18082 124 1 1 . 1 1 27 27 ILE CA C 27 61.302 61.302 60.939 0.363 18082 125 1 1 . 1 1 27 27 ILE CB C 27 40.312 40.312 37.981 2.331 18082 126 1 1 . 1 1 27 27 ILE H H 27 9.970 9.970 8.525 1.445 18082 127 1 1 . 1 1 28 28 THR N N 28 116.315 116.315 118.963 -2.648 18082 128 1 1 . 1 1 28 28 THR HA H 28 4.921 4.921 5.324 -0.403 18082 129 1 1 . 1 1 28 28 THR CA C 28 59.359 59.359 59.456 -0.097 18082 130 1 1 . 1 1 28 28 THR CB C 28 72.614 72.614 72.002 0.612 18082 131 1 1 . 1 1 28 28 THR H H 28 8.356 8.356 9.450 -1.094 18082 132 1 1 . 1 1 29 29 THR N N 29 113.124 113.124 114.823 -1.699 18082 133 1 1 . 1 1 29 29 THR HA H 29 3.748 3.748 3.971 -0.223 18082 134 1 1 . 1 1 29 29 THR CA C 29 66.445 66.445 66.665 -0.220 18082 135 1 1 . 1 1 29 29 THR CB C 29 68.069 68.069 68.089 -0.020 18082 136 1 1 . 1 1 29 29 THR H H 29 9.115 9.115 8.857 0.258 18082 137 1 1 . 1 1 30 30 LYS N N 30 120.485 120.485 121.975 -1.490 18082 138 1 1 . 1 1 30 30 LYS HA H 30 4.106 4.106 3.988 0.118 18082 139 1 1 . 1 1 30 30 LYS CA C 30 59.216 59.216 59.660 -0.445 18082 140 1 1 . 1 1 30 30 LYS CB C 30 32.546 32.546 32.390 0.156 18082 141 1 1 . 1 1 30 30 LYS H H 30 7.639 7.639 7.582 0.057 18082 142 1 1 . 1 1 31 31 GLU N N 31 121.786 121.786 119.431 2.355 18082 143 1 1 . 1 1 31 31 GLU HA H 31 4.003 4.003 4.011 -0.008 18082 144 1 1 . 1 1 31 31 GLU CA C 31 59.642 59.642 58.656 0.986 18082 145 1 1 . 1 1 31 31 GLU CB C 31 29.605 29.605 29.402 0.203 18082 146 1 1 . 1 1 31 31 GLU H H 31 7.693 7.693 8.015 -0.322 18082 147 1 1 . 1 1 32 32 LEU N N 32 120.699 120.699 120.835 -0.136 18082 148 1 1 . 1 1 32 32 LEU HA H 32 4.093 4.093 4.418 -0.325 18082 149 1 1 . 1 1 32 32 LEU CA C 32 58.340 58.340 57.293 1.047 18082 150 1 1 . 1 1 32 32 LEU CB C 32 42.173 42.173 42.081 0.091 18082 151 1 1 . 1 1 32 32 LEU H H 32 8.585 8.585 7.957 0.628 18082 152 1 1 . 1 1 33 33 GLY N N 33 106.061 106.061 104.565 1.496 18082 153 1 1 . 1 1 33 33 GLY CA C 33 48.681 48.681 46.751 1.930 18082 154 1 1 . 1 1 33 33 GLY H H 33 8.715 8.715 8.010 0.705 18082 155 1 1 . 1 1 34 34 THR N N 34 118.195 118.195 116.921 1.274 18082 156 1 1 . 1 1 34 34 THR HA H 34 3.929 3.929 3.878 0.051 18082 157 1 1 . 1 1 34 34 THR CA C 34 66.961 66.961 65.793 1.168 18082 158 1 1 . 1 1 34 34 THR CB C 34 68.764 68.764 68.583 0.181 18082 159 1 1 . 1 1 34 34 THR H H 34 7.947 7.947 7.573 0.374 18082 160 1 1 . 1 1 35 35 VAL N N 35 122.412 122.412 121.413 0.999 18082 161 1 1 . 1 1 35 35 VAL HA H 35 3.609 3.609 3.765 -0.156 18082 162 1 1 . 1 1 35 35 VAL CA C 35 66.554 66.554 65.272 1.282 18082 163 1 1 . 1 1 35 35 VAL CB C 35 31.479 31.479 31.637 -0.157 18082 164 1 1 . 1 1 35 35 VAL H H 35 7.760 7.760 7.291 0.469 18082 165 1 1 . 1 1 36 36 MET N N 36 118.407 118.407 118.579 -0.172 18082 166 1 1 . 1 1 36 36 MET HA H 36 4.104 4.104 4.107 -0.003 18082 167 1 1 . 1 1 36 36 MET CA C 36 58.532 58.532 59.138 -0.605 18082 168 1 1 . 1 1 36 36 MET CB C 36 30.782 30.782 32.044 -1.262 18082 169 1 1 . 1 1 36 36 MET H H 36 8.583 8.583 7.601 0.982 18082 170 1 1 . 1 1 37 37 ARG N N 37 119.070 119.070 118.785 0.285 18082 171 1 1 . 1 1 37 37 ARG HA H 37 4.789 4.789 4.104 0.685 18082 172 1 1 . 1 1 37 37 ARG CA C 37 59.141 59.141 59.338 -0.197 18082 173 1 1 . 1 1 37 37 ARG CB C 37 30.019 30.019 30.515 -0.496 18082 174 1 1 . 1 1 37 37 ARG H H 37 8.499 8.499 8.359 0.140 18082 175 1 1 . 1 1 38 38 SER N N 38 118.897 118.897 113.471 5.426 18082 176 1 1 . 1 1 38 38 SER HA H 38 4.417 4.417 4.576 -0.159 18082 177 1 1 . 1 1 38 38 SER CA C 38 61.450 61.450 58.827 2.623 18082 178 1 1 . 1 1 38 38 SER CB C 38 62.846 62.846 63.057 -0.211 18082 179 1 1 . 1 1 38 38 SER H H 38 7.965 7.965 7.649 0.316 18082 180 1 1 . 1 1 39 39 LEU N N 39 120.765 120.765 121.103 -0.338 18082 181 1 1 . 1 1 39 39 LEU HA H 39 4.489 4.489 4.803 -0.314 18082 182 1 1 . 1 1 39 39 LEU CA C 39 54.576 54.576 55.459 -0.883 18082 183 1 1 . 1 1 39 39 LEU CB C 39 41.963 41.963 44.587 -2.624 18082 184 1 1 . 1 1 39 39 LEU H H 39 7.387 7.387 7.741 -0.354 18082 185 1 1 . 1 1 40 40 GLY N N 40 107.022 107.022 106.785 0.237 18082 186 1 1 . 1 1 40 40 GLY CA C 40 45.637 45.637 45.669 -0.032 18082 187 1 1 . 1 1 40 40 GLY H H 40 7.889 7.889 7.973 -0.084 18082 188 1 1 . 1 1 41 41 GLN N N 41 118.231 118.231 118.061 0.170 18082 189 1 1 . 1 1 41 41 GLN HA H 41 4.495 4.495 3.880 0.615 18082 190 1 1 . 1 1 41 41 GLN CA C 41 54.440 54.440 56.411 -1.971 18082 191 1 1 . 1 1 41 41 GLN CB C 41 30.703 30.703 28.696 2.007 18082 192 1 1 . 1 1 41 41 GLN H H 41 7.747 7.747 8.103 -0.356 18082 193 1 1 . 1 1 42 42 ASN N N 42 116.416 116.416 122.637 -6.221 18082 194 1 1 . 1 1 42 42 ASN CA C 42 51.308 51.308 51.676 -0.368 18082 195 1 1 . 1 1 42 42 ASN CB C 42 39.272 39.272 39.413 -0.141 18082 196 1 1 . 1 1 42 42 ASN H H 42 8.663 8.663 8.538 0.125 18082 197 1 1 . 1 1 43 43 PRO HA H 43 4.742 4.742 4.505 0.237 18082 198 1 1 . 1 1 43 43 PRO CA C 43 62.393 62.393 62.574 -0.181 18082 199 1 1 . 1 1 43 43 PRO CB C 43 31.969 31.969 32.885 -0.916 18082 200 1 1 . 1 1 44 44 THR N N 44 112.768 112.768 111.974 0.794 18082 201 1 1 . 1 1 44 44 THR HA H 44 4.723 4.723 4.356 0.367 18082 202 1 1 . 1 1 44 44 THR CA C 44 60.656 60.656 61.057 -0.401 18082 203 1 1 . 1 1 44 44 THR CB C 44 71.220 71.220 70.375 0.845 18082 204 1 1 . 1 1 44 44 THR H H 44 8.790 8.790 9.019 -0.229 18082 205 1 1 . 1 1 45 45 GLU N N 45 120.454 120.454 121.777 -1.323 18082 206 1 1 . 1 1 45 45 GLU HA H 45 3.970 3.970 3.983 -0.013 18082 207 1 1 . 1 1 45 45 GLU CA C 45 60.178 60.178 60.809 -0.631 18082 208 1 1 . 1 1 45 45 GLU CB C 45 29.056 29.056 28.691 0.365 18082 209 1 1 . 1 1 45 45 GLU H H 45 8.771 8.771 8.924 -0.153 18082 210 1 1 . 1 1 46 46 ALA N N 46 120.779 120.779 121.590 -0.811 18082 211 1 1 . 1 1 46 46 ALA HA H 46 4.105 4.105 4.107 -0.002 18082 212 1 1 . 1 1 46 46 ALA CA C 46 55.119 55.119 55.030 0.089 18082 213 1 1 . 1 1 46 46 ALA CB C 46 18.275 18.275 18.081 0.194 18082 214 1 1 . 1 1 46 46 ALA H H 46 8.187 8.187 8.324 -0.137 18082 215 1 1 . 1 1 47 47 GLU N N 47 118.876 118.876 118.958 -0.082 18082 216 1 1 . 1 1 47 47 GLU HA H 47 3.988 3.988 4.016 -0.028 18082 217 1 1 . 1 1 47 47 GLU CA C 47 59.179 59.179 58.967 0.212 18082 218 1 1 . 1 1 47 47 GLU CB C 47 29.871 29.871 29.548 0.323 18082 219 1 1 . 1 1 47 47 GLU H H 47 7.628 7.628 7.649 -0.021 18082 220 1 1 . 1 1 48 48 LEU N N 48 119.668 119.668 120.938 -1.270 18082 221 1 1 . 1 1 48 48 LEU HA H 48 3.952 3.952 4.083 -0.131 18082 222 1 1 . 1 1 48 48 LEU CA C 48 57.831 57.831 57.870 -0.039 18082 223 1 1 . 1 1 48 48 LEU CB C 48 42.435 42.435 42.013 0.422 18082 224 1 1 . 1 1 48 48 LEU H H 48 8.104 8.104 8.023 0.081 18082 225 1 1 . 1 1 49 49 GLN N N 49 118.133 118.133 119.435 -1.302 18082 226 1 1 . 1 1 49 49 GLN HA H 49 3.851 3.851 3.884 -0.033 18082 227 1 1 . 1 1 49 49 GLN CA C 49 58.616 58.616 59.547 -0.931 18082 228 1 1 . 1 1 49 49 GLN CB C 49 28.202 28.202 28.438 -0.236 18082 229 1 1 . 1 1 49 49 GLN H H 49 8.168 8.168 8.398 -0.230 18082 230 1 1 . 1 1 50 50 ASP N N 50 120.259 120.259 119.919 0.340 18082 231 1 1 . 1 1 50 50 ASP HA H 50 4.459 4.459 4.405 0.054 18082 232 1 1 . 1 1 50 50 ASP CA C 50 57.787 57.787 56.998 0.789 18082 233 1 1 . 1 1 50 50 ASP CB C 50 40.475 40.475 40.813 -0.338 18082 234 1 1 . 1 1 50 50 ASP H H 50 8.053 8.053 8.038 0.015 18082 235 1 1 . 1 1 51 51 MET N N 51 119.290 119.290 118.011 1.279 18082 236 1 1 . 1 1 51 51 MET HA H 51 4.095 4.095 4.211 -0.116 18082 237 1 1 . 1 1 51 51 MET CA C 51 60.031 60.031 57.943 2.088 18082 238 1 1 . 1 1 51 51 MET CB C 51 33.629 33.629 32.408 1.221 18082 239 1 1 . 1 1 51 51 MET H H 51 7.948 7.948 7.548 0.400 18082 240 1 1 . 1 1 52 52 ILE N N 52 119.018 119.018 117.892 1.126 18082 241 1 1 . 1 1 52 52 ILE HA H 52 3.942 3.942 3.865 0.077 18082 242 1 1 . 1 1 52 52 ILE CA C 52 63.568 63.568 62.574 0.994 18082 243 1 1 . 1 1 52 52 ILE CB C 52 36.623 36.623 38.403 -1.780 18082 244 1 1 . 1 1 52 52 ILE H H 52 7.793 7.793 7.933 -0.140 18082 245 1 1 . 1 1 53 53 ASN N N 53 118.406 118.406 118.599 -0.193 18082 246 1 1 . 1 1 53 53 ASN HA H 53 4.427 4.427 4.445 -0.018 18082 247 1 1 . 1 1 53 53 ASN CA C 53 56.145 56.145 55.547 0.598 18082 248 1 1 . 1 1 53 53 ASN CB C 53 38.100 38.100 38.884 -0.784 18082 249 1 1 . 1 1 53 53 ASN H H 53 8.853 8.853 7.789 1.064 18082 250 1 1 . 1 1 54 54 GLU N N 54 116.393 116.393 116.984 -0.591 18082 251 1 1 . 1 1 54 54 GLU HA H 54 4.064 4.064 4.269 -0.205 18082 252 1 1 . 1 1 54 54 GLU CA C 54 59.025 59.025 57.960 1.065 18082 253 1 1 . 1 1 54 54 GLU CB C 54 30.347 30.347 29.877 0.470 18082 254 1 1 . 1 1 54 54 GLU H H 54 7.723 7.723 7.669 0.054 18082 255 1 1 . 1 1 55 55 VAL N N 55 112.052 112.052 117.791 -5.739 18082 256 1 1 . 1 1 55 55 VAL HA H 55 4.206 4.206 4.144 0.062 18082 257 1 1 . 1 1 55 55 VAL CA C 55 60.952 60.952 63.174 -2.222 18082 258 1 1 . 1 1 55 55 VAL CB C 55 33.117 33.117 34.270 -1.153 18082 259 1 1 . 1 1 55 55 VAL H H 55 7.154 7.154 7.281 -0.127 18082 260 1 1 . 1 1 56 56 ASP N N 56 121.462 121.462 121.491 -0.029 18082 261 1 1 . 1 1 56 56 ASP HA H 56 4.483 4.483 4.581 -0.098 18082 262 1 1 . 1 1 56 56 ASP CA C 56 53.871 53.871 54.305 -0.434 18082 263 1 1 . 1 1 56 56 ASP CB C 56 40.414 40.414 41.107 -0.693 18082 264 1 1 . 1 1 56 56 ASP H H 56 7.652 7.652 8.217 -0.565 18082 265 1 1 . 1 1 57 57 ALA N N 57 131.294 131.294 128.563 2.731 18082 266 1 1 . 1 1 57 57 ALA HA H 57 4.216 4.216 4.251 -0.035 18082 267 1 1 . 1 1 57 57 ALA CA C 57 54.533 54.533 53.214 1.319 18082 268 1 1 . 1 1 57 57 ALA CB C 57 19.810 19.810 19.177 0.633 18082 269 1 1 . 1 1 57 57 ALA H H 57 8.067 8.067 8.132 -0.065 18082 270 1 1 . 1 1 58 58 ASP N N 58 113.873 113.873 117.760 -3.887 18082 271 1 1 . 1 1 58 58 ASP HA H 58 4.652 4.652 4.529 0.123 18082 272 1 1 . 1 1 58 58 ASP CA C 58 52.885 52.885 54.079 -1.194 18082 273 1 1 . 1 1 58 58 ASP CB C 58 39.916 39.916 40.778 -0.862 18082 274 1 1 . 1 1 58 58 ASP H H 58 8.236 8.236 8.195 0.041 18082 275 1 1 . 1 1 59 59 GLY N N 59 108.338 108.338 109.604 -1.266 18082 276 1 1 . 1 1 59 59 GLY CA C 59 47.252 47.252 45.134 2.118 18082 277 1 1 . 1 1 59 59 GLY H H 59 7.574 7.574 8.271 -0.697 18082 278 1 1 . 1 1 60 60 ASN N N 60 118.885 118.885 116.656 2.229 18082 279 1 1 . 1 1 60 60 ASN HA H 60 4.628 4.628 4.805 -0.177 18082 280 1 1 . 1 1 60 60 ASN CA C 60 52.889 52.889 52.216 0.673 18082 281 1 1 . 1 1 60 60 ASN CB C 60 37.683 37.683 39.765 -2.082 18082 282 1 1 . 1 1 60 60 ASN H H 60 8.167 8.167 9.228 -1.061 18082 283 1 1 . 1 1 61 61 GLY N N 61 113.590 113.590 109.171 4.419 18082 284 1 1 . 1 1 61 61 GLY CA C 61 45.648 45.648 46.102 -0.454 18082 285 1 1 . 1 1 61 61 GLY H H 61 10.620 10.620 8.900 1.720 18082 286 1 1 . 1 1 62 62 THR N N 62 108.235 108.235 115.061 -6.826 18082 287 1 1 . 1 1 62 62 THR HA H 62 4.822 4.822 5.096 -0.274 18082 288 1 1 . 1 1 62 62 THR CA C 62 59.531 59.531 61.488 -1.957 18082 289 1 1 . 1 1 62 62 THR CB C 62 72.479 72.479 71.945 0.534 18082 290 1 1 . 1 1 62 62 THR H H 62 7.671 7.671 8.269 -0.598 18082 291 1 1 . 1 1 63 63 ILE N N 63 124.438 124.438 126.420 -1.982 18082 292 1 1 . 1 1 63 63 ILE HA H 63 5.357 5.357 4.716 0.641 18082 293 1 1 . 1 1 63 63 ILE CA C 63 58.123 58.123 60.077 -1.954 18082 294 1 1 . 1 1 63 63 ILE CB C 63 38.406 38.406 40.517 -2.111 18082 295 1 1 . 1 1 63 63 ILE H H 63 8.816 8.816 8.370 0.446 18082 296 1 1 . 1 1 64 64 ASP N N 64 128.393 128.393 127.981 0.412 18082 297 1 1 . 1 1 64 64 ASP HA H 64 5.455 5.455 5.088 0.367 18082 298 1 1 . 1 1 64 64 ASP CA C 64 51.924 51.924 52.617 -0.694 18082 299 1 1 . 1 1 64 64 ASP CB C 64 42.237 42.237 43.654 -1.417 18082 300 1 1 . 1 1 64 64 ASP H H 64 8.811 8.811 9.178 -0.367 18082 301 1 1 . 1 1 65 65 PHE N N 65 118.159 118.159 119.278 -1.119 18082 302 1 1 . 1 1 65 65 PHE HA H 65 3.993 3.993 4.429 -0.436 18082 303 1 1 . 1 1 65 65 PHE CA C 65 63.050 63.050 63.728 -0.678 18082 304 1 1 . 1 1 65 65 PHE CB C 65 35.932 35.932 36.210 -0.278 18082 305 1 1 . 1 1 65 65 PHE H H 65 8.926 8.926 9.232 -0.306 18082 306 1 1 . 1 1 66 66 PRO HA H 66 3.827 3.827 4.277 -0.450 18082 307 1 1 . 1 1 66 66 PRO CA C 66 66.950 66.950 66.184 0.766 18082 308 1 1 . 1 1 66 66 PRO CB C 66 30.758 30.758 31.174 -0.416 18082 309 1 1 . 1 1 67 67 GLU N N 67 117.916 117.916 118.536 -0.620 18082 310 1 1 . 1 1 67 67 GLU HA H 67 3.988 3.988 4.138 -0.150 18082 311 1 1 . 1 1 67 67 GLU CA C 67 59.100 59.100 59.390 -0.290 18082 312 1 1 . 1 1 67 67 GLU CB C 67 29.855 29.855 29.338 0.517 18082 313 1 1 . 1 1 67 67 GLU H H 67 8.267 8.267 8.332 -0.065 18082 314 1 1 . 1 1 68 68 PHE N N 68 123.365 123.365 122.160 1.205 18082 315 1 1 . 1 1 68 68 PHE HA H 68 3.632 3.632 4.144 -0.512 18082 316 1 1 . 1 1 68 68 PHE CA C 68 61.413 61.413 61.651 -0.238 18082 317 1 1 . 1 1 68 68 PHE CB C 68 40.628 40.628 39.278 1.350 18082 318 1 1 . 1 1 68 68 PHE H H 68 8.631 8.631 8.819 -0.188 18082 319 1 1 . 1 1 69 69 LEU N N 69 120.250 120.250 118.176 2.074 18082 320 1 1 . 1 1 69 69 LEU HA H 69 3.304 3.304 3.746 -0.442 18082 321 1 1 . 1 1 69 69 LEU CA C 69 57.940 57.940 57.645 0.295 18082 322 1 1 . 1 1 69 69 LEU CB C 69 41.342 41.342 41.680 -0.338 18082 323 1 1 . 1 1 69 69 LEU H H 69 9.006 9.006 8.621 0.385 18082 324 1 1 . 1 1 70 70 THR N N 70 114.585 114.585 113.260 1.325 18082 325 1 1 . 1 1 70 70 THR HA H 70 3.640 3.640 4.218 -0.578 18082 326 1 1 . 1 1 70 70 THR CA C 70 66.819 66.819 64.658 2.161 18082 327 1 1 . 1 1 70 70 THR CB C 70 68.615 68.615 69.146 -0.531 18082 328 1 1 . 1 1 70 70 THR H H 70 7.671 7.671 7.548 0.122 18082 329 1 1 . 1 1 71 71 MET N N 71 120.319 120.319 123.041 -2.722 18082 330 1 1 . 1 1 71 71 MET HA H 71 3.825 3.825 4.081 -0.256 18082 331 1 1 . 1 1 71 71 MET CA C 71 58.513 58.513 57.929 0.584 18082 332 1 1 . 1 1 71 71 MET CB C 71 30.796 30.796 32.570 -1.774 18082 333 1 1 . 1 1 71 71 MET H H 71 7.095 7.095 8.183 -1.088 18082 334 1 1 . 1 1 72 72 MET N N 72 118.715 118.715 116.070 2.645 18082 335 1 1 . 1 1 72 72 MET HA H 72 3.802 3.802 4.273 -0.471 18082 336 1 1 . 1 1 72 72 MET CA C 72 56.247 56.247 54.050 2.197 18082 337 1 1 . 1 1 72 72 MET CB C 72 30.368 30.368 31.526 -1.158 18082 338 1 1 . 1 1 72 72 MET H H 72 8.004 8.004 7.373 0.631 18082 339 1 1 . 1 1 73 73 ALA N N 73 121.244 121.244 122.145 -0.901 18082 340 1 1 . 1 1 73 73 ALA HA H 73 4.028 4.028 4.488 -0.460 18082 341 1 1 . 1 1 73 73 ALA CA C 73 54.594 54.594 52.714 1.880 18082 342 1 1 . 1 1 73 73 ALA CB C 73 18.233 18.233 20.645 -2.412 18082 343 1 1 . 1 1 73 73 ALA H H 73 8.298 8.298 7.410 0.888 18082 344 1 1 . 1 1 74 74 ARG N N 74 116.638 116.638 121.607 -4.969 18082 345 1 1 . 1 1 74 74 ARG HA H 74 4.086 4.086 4.316 -0.230 18082 346 1 1 . 1 1 74 74 ARG CA C 74 58.442 58.442 55.026 3.416 18082 347 1 1 . 1 1 74 74 ARG CB C 74 30.239 30.239 28.567 1.672 18082 348 1 1 . 1 1 74 74 ARG H H 74 7.378 7.378 7.795 -0.417 18082 349 1 1 . 1 1 75 75 LYS N N 75 118.910 118.910 121.152 -2.242 18082 350 1 1 . 1 1 75 75 LYS HA H 75 4.208 4.208 4.243 -0.035 18082 351 1 1 . 1 1 75 75 LYS CA C 75 57.508 57.508 56.346 1.162 18082 352 1 1 . 1 1 75 75 LYS CB C 75 32.532 32.532 32.881 -0.349 18082 353 1 1 . 1 1 75 75 LYS H H 75 7.779 7.779 7.773 0.006 18082 354 1 1 . 1 1 76 76 MET N N 76 117.825 117.825 122.554 -4.729 18082 355 1 1 . 1 1 76 76 MET HA H 76 4.353 4.353 4.464 -0.111 18082 356 1 1 . 1 1 76 76 MET CA C 76 56.880 56.880 55.566 1.313 18082 357 1 1 . 1 1 76 76 MET CB C 76 32.784 32.784 33.399 -0.615 18082 358 1 1 . 1 1 76 76 MET H H 76 7.789 7.789 8.378 -0.589 18082 359 1 1 . 1 1 77 77 LYS N N 77 119.283 119.283 118.866 0.417 18082 360 1 1 . 1 1 77 77 LYS HA H 77 4.355 4.355 4.236 0.119 18082 361 1 1 . 1 1 77 77 LYS CA C 77 56.490 56.490 57.170 -0.680 18082 362 1 1 . 1 1 77 77 LYS CB C 77 33.115 33.115 32.650 0.465 18082 363 1 1 . 1 1 77 77 LYS H H 77 7.711 7.711 8.332 -0.621 18082 364 1 1 . 1 1 78 78 ASP N N 78 121.107 121.107 119.667 1.440 18082 365 1 1 . 1 1 78 78 ASP HA H 78 4.695 4.695 4.824 -0.129 18082 366 1 1 . 1 1 78 78 ASP CA C 78 54.680 54.680 53.775 0.905 18082 367 1 1 . 1 1 78 78 ASP CB C 78 41.207 41.207 41.788 -0.582 18082 368 1 1 . 1 1 78 78 ASP H H 78 8.089 8.089 7.864 0.225 18082 369 1 1 . 1 1 79 79 THR N N 79 112.761 112.761 116.954 -4.193 18082 370 1 1 . 1 1 79 79 THR HA H 79 4.390 4.390 4.552 -0.162 18082 371 1 1 . 1 1 79 79 THR CA C 79 61.469 61.469 61.670 -0.201 18082 372 1 1 . 1 1 79 79 THR CB C 79 70.178 70.178 70.375 -0.197 18082 373 1 1 . 1 1 79 79 THR H H 79 7.935 7.935 8.263 -0.328 18082 374 1 2 . 1 1 2 2 ASP N N 2 117.390 117.390 119.903 -2.513 18082 375 1 2 . 1 1 2 2 ASP HA H 2 4.521 4.521 4.656 -0.135 18082 376 1 2 . 1 1 2 2 ASP CA C 2 55.014 55.014 54.648 0.366 18082 377 1 2 . 1 1 2 2 ASP CB C 2 40.955 40.955 40.196 0.759 18082 378 1 2 . 1 1 2 2 ASP H H 2 8.039 8.039 8.395 -0.356 18082 379 1 2 . 1 1 3 3 GLN N N 3 118.072 118.072 123.461 -5.389 18082 380 1 2 . 1 1 3 3 GLN HA H 3 4.357 4.357 4.435 -0.078 18082 381 1 2 . 1 1 3 3 GLN CA C 3 55.636 55.636 56.201 -0.565 18082 382 1 2 . 1 1 3 3 GLN CB C 3 29.695 29.695 29.781 -0.086 18082 383 1 2 . 1 1 3 3 GLN H H 3 7.949 7.949 8.098 -0.149 18082 384 1 2 . 1 1 4 4 LEU N N 4 121.793 121.793 122.479 -0.686 18082 385 1 2 . 1 1 4 4 LEU HA H 4 4.692 4.692 4.479 0.213 18082 386 1 2 . 1 1 4 4 LEU CA C 4 54.358 54.358 54.700 -0.342 18082 387 1 2 . 1 1 4 4 LEU CB C 4 43.712 43.712 40.973 2.739 18082 388 1 2 . 1 1 4 4 LEU H H 4 7.841 7.841 8.458 -0.617 18082 389 1 2 . 1 1 5 5 THR N N 5 112.587 112.587 115.633 -3.046 18082 390 1 2 . 1 1 5 5 THR HA H 5 4.772 4.772 4.229 0.543 18082 391 1 2 . 1 1 5 5 THR CA C 5 60.388 60.388 63.645 -3.257 18082 392 1 2 . 1 1 5 5 THR CB C 5 71.243 71.243 69.334 1.909 18082 393 1 2 . 1 1 5 5 THR H H 5 8.625 8.625 7.576 1.049 18082 394 1 2 . 1 1 6 6 GLU N N 6 120.574 120.574 119.058 1.516 18082 395 1 2 . 1 1 6 6 GLU HA H 6 3.976 3.976 4.113 -0.137 18082 396 1 2 . 1 1 6 6 GLU CA C 6 60.180 60.180 57.276 2.905 18082 397 1 2 . 1 1 6 6 GLU CB C 6 29.285 29.285 29.424 -0.139 18082 398 1 2 . 1 1 6 6 GLU H H 6 8.995 8.995 8.706 0.289 18082 399 1 2 . 1 1 7 7 GLU N N 7 119.338 119.338 118.483 0.855 18082 400 1 2 . 1 1 7 7 GLU HA H 7 4.063 4.063 4.432 -0.369 18082 401 1 2 . 1 1 7 7 GLU CA C 7 60.062 60.062 57.133 2.929 18082 402 1 2 . 1 1 7 7 GLU CB C 7 29.198 29.198 29.698 -0.500 18082 403 1 2 . 1 1 7 7 GLU H H 7 8.678 8.678 8.288 0.390 18082 404 1 2 . 1 1 8 8 GLN N N 8 120.308 120.308 118.872 1.436 18082 405 1 2 . 1 1 8 8 GLN HA H 8 3.874 3.874 4.408 -0.534 18082 406 1 2 . 1 1 8 8 GLN CA C 8 58.626 58.626 57.351 1.275 18082 407 1 2 . 1 1 8 8 GLN CB C 8 29.201 29.201 29.341 -0.140 18082 408 1 2 . 1 1 8 8 GLN H H 8 7.684 7.684 8.270 -0.586 18082 409 1 2 . 1 1 9 9 ILE N N 9 119.371 119.371 120.008 -0.637 18082 410 1 2 . 1 1 9 9 ILE HA H 9 3.675 3.675 3.781 -0.106 18082 411 1 2 . 1 1 9 9 ILE CA C 9 66.241 66.241 64.319 1.922 18082 412 1 2 . 1 1 9 9 ILE CB C 9 37.702 37.702 37.230 0.472 18082 413 1 2 . 1 1 9 9 ILE H H 9 8.339 8.339 7.765 0.574 18082 414 1 2 . 1 1 10 10 ALA N N 10 121.339 121.339 120.832 0.507 18082 415 1 2 . 1 1 10 10 ALA HA H 10 4.118 4.118 4.053 0.065 18082 416 1 2 . 1 1 10 10 ALA CA C 10 55.648 55.648 54.959 0.689 18082 417 1 2 . 1 1 10 10 ALA CB C 10 17.908 17.908 18.329 -0.421 18082 418 1 2 . 1 1 10 10 ALA H H 10 8.048 8.048 8.359 -0.311 18082 419 1 2 . 1 1 11 11 GLU N N 11 119.886 119.886 116.638 3.248 18082 420 1 2 . 1 1 11 11 GLU HA H 11 4.187 4.187 4.310 -0.123 18082 421 1 2 . 1 1 11 11 GLU CA C 11 59.577 59.577 57.272 2.305 18082 422 1 2 . 1 1 11 11 GLU CB C 11 29.306 29.306 29.782 -0.476 18082 423 1 2 . 1 1 11 11 GLU H H 11 7.792 7.792 8.033 -0.240 18082 424 1 2 . 1 1 12 12 PHE N N 12 119.957 119.957 119.923 0.034 18082 425 1 2 . 1 1 12 12 PHE HA H 12 5.011 5.011 4.271 0.740 18082 426 1 2 . 1 1 12 12 PHE CA C 12 59.173 59.173 61.450 -2.277 18082 427 1 2 . 1 1 12 12 PHE CB C 12 37.617 37.617 39.128 -1.511 18082 428 1 2 . 1 1 12 12 PHE H H 12 8.527 8.527 7.573 0.954 18082 429 1 2 . 1 1 13 13 LYS N N 13 123.937 123.937 118.869 5.068 18082 430 1 2 . 1 1 13 13 LYS HA H 13 4.015 4.015 4.348 -0.333 18082 431 1 2 . 1 1 13 13 LYS CA C 13 60.169 60.169 59.717 0.452 18082 432 1 2 . 1 1 13 13 LYS CB C 13 31.986 31.986 32.030 -0.044 18082 433 1 2 . 1 1 13 13 LYS H H 13 9.246 9.246 8.059 1.187 18082 434 1 2 . 1 1 14 14 GLU N N 14 120.885 120.885 119.254 1.631 18082 435 1 2 . 1 1 14 14 GLU HA H 14 4.130 4.130 4.133 -0.003 18082 436 1 2 . 1 1 14 14 GLU CA C 14 59.653 59.653 58.668 0.985 18082 437 1 2 . 1 1 14 14 GLU CB C 14 29.125 29.125 28.750 0.375 18082 438 1 2 . 1 1 14 14 GLU H H 14 7.956 7.956 8.158 -0.202 18082 439 1 2 . 1 1 15 15 ALA N N 15 121.878 121.878 121.546 0.332 18082 440 1 2 . 1 1 15 15 ALA HA H 15 4.257 4.257 3.985 0.272 18082 441 1 2 . 1 1 15 15 ALA CA C 15 55.565 55.565 54.610 0.955 18082 442 1 2 . 1 1 15 15 ALA CB C 15 18.237 18.237 18.012 0.225 18082 443 1 2 . 1 1 15 15 ALA H H 15 8.129 8.129 7.297 0.832 18082 444 1 2 . 1 1 16 16 PHE N N 16 118.993 118.993 111.781 7.212 18082 445 1 2 . 1 1 16 16 PHE HA H 16 3.326 3.326 4.446 -1.120 18082 446 1 2 . 1 1 16 16 PHE CA C 16 62.270 62.270 57.873 4.397 18082 447 1 2 . 1 1 16 16 PHE CB C 16 39.695 39.695 37.379 2.316 18082 448 1 2 . 1 1 16 16 PHE H H 16 8.800 8.800 7.329 1.471 18082 449 1 2 . 1 1 17 17 SER N N 17 113.609 113.609 113.815 -0.206 18082 450 1 2 . 1 1 17 17 SER HA H 17 4.166 4.166 4.633 -0.467 18082 451 1 2 . 1 1 17 17 SER CA C 17 61.564 61.564 59.767 1.798 18082 452 1 2 . 1 1 17 17 SER CB C 17 63.457 63.457 65.876 -2.419 18082 453 1 2 . 1 1 17 17 SER H H 17 8.062 8.062 7.652 0.410 18082 454 1 2 . 1 1 18 18 LEU N N 18 120.325 120.325 120.229 0.096 18082 455 1 2 . 1 1 18 18 LEU HA H 18 4.005 4.005 4.491 -0.486 18082 456 1 2 . 1 1 18 18 LEU CA C 18 57.028 57.028 56.530 0.498 18082 457 1 2 . 1 1 18 18 LEU CB C 18 41.523 41.523 42.723 -1.200 18082 458 1 2 . 1 1 18 18 LEU H H 18 7.452 7.452 8.272 -0.820 18082 459 1 2 . 1 1 19 19 PHE N N 19 113.738 113.738 121.750 -8.012 18082 460 1 2 . 1 1 19 19 PHE HA H 19 4.245 4.245 4.214 0.031 18082 461 1 2 . 1 1 19 19 PHE CA C 19 59.530 59.530 60.860 -1.330 18082 462 1 2 . 1 1 19 19 PHE CB C 19 41.928 41.928 39.933 1.995 18082 463 1 2 . 1 1 19 19 PHE H H 19 7.187 7.187 7.820 -0.633 18082 464 1 2 . 1 1 20 20 ASP N N 20 116.566 116.566 116.712 -0.146 18082 465 1 2 . 1 1 20 20 ASP HA H 20 4.565 4.565 4.502 0.063 18082 466 1 2 . 1 1 20 20 ASP CA C 20 52.488 52.488 54.136 -1.648 18082 467 1 2 . 1 1 20 20 ASP CB C 20 39.280 39.280 42.929 -3.649 18082 468 1 2 . 1 1 20 20 ASP H H 20 7.733 7.733 7.584 0.149 18082 469 1 2 . 1 1 21 21 LYS N N 21 124.387 124.387 122.112 2.275 18082 470 1 2 . 1 1 21 21 LYS HA H 21 3.987 3.987 4.420 -0.433 18082 471 1 2 . 1 1 21 21 LYS CA C 21 58.353 58.353 56.138 2.215 18082 472 1 2 . 1 1 21 21 LYS CB C 21 32.514 32.514 32.811 -0.297 18082 473 1 2 . 1 1 21 21 LYS H H 21 7.668 7.668 8.346 -0.678 18082 474 1 2 . 1 1 22 22 ASP N N 22 114.142 114.142 119.345 -5.203 18082 475 1 2 . 1 1 22 22 ASP HA H 22 4.594 4.594 4.645 -0.051 18082 476 1 2 . 1 1 22 22 ASP CA C 22 52.934 52.934 55.003 -2.069 18082 477 1 2 . 1 1 22 22 ASP CB C 22 39.645 39.645 42.300 -2.655 18082 478 1 2 . 1 1 22 22 ASP H H 22 8.135 8.135 8.102 0.033 18082 479 1 2 . 1 1 23 23 GLY N N 23 109.286 109.286 108.582 0.704 18082 480 1 2 . 1 1 23 23 GLY CA C 23 47.308 47.308 45.064 2.244 18082 481 1 2 . 1 1 23 23 GLY H H 23 7.683 7.683 9.254 -1.571 18082 482 1 2 . 1 1 24 24 ASP N N 24 120.949 120.949 120.777 0.172 18082 483 1 2 . 1 1 24 24 ASP HA H 24 4.525 4.525 4.568 -0.043 18082 484 1 2 . 1 1 24 24 ASP CA C 24 53.891 53.891 54.776 -0.885 18082 485 1 2 . 1 1 24 24 ASP CB C 24 40.513 40.513 41.219 -0.706 18082 486 1 2 . 1 1 24 24 ASP H H 24 8.477 8.477 7.921 0.556 18082 487 1 2 . 1 1 25 25 GLY N N 25 112.905 112.905 107.823 5.082 18082 488 1 2 . 1 1 25 25 GLY CA C 25 45.496 45.496 45.124 0.372 18082 489 1 2 . 1 1 25 25 GLY H H 25 10.567 10.567 8.900 1.667 18082 490 1 2 . 1 1 26 26 THR N N 26 112.165 112.165 112.931 -0.766 18082 491 1 2 . 1 1 26 26 THR HA H 26 5.421 5.421 4.557 0.864 18082 492 1 2 . 1 1 26 26 THR CA C 26 59.692 59.692 60.579 -0.887 18082 493 1 2 . 1 1 26 26 THR CB C 26 72.792 72.792 71.655 1.137 18082 494 1 2 . 1 1 26 26 THR H H 26 8.238 8.238 8.547 -0.309 18082 495 1 2 . 1 1 27 27 ILE N N 27 126.801 126.801 125.022 1.779 18082 496 1 2 . 1 1 27 27 ILE HA H 27 4.846 4.846 4.482 0.364 18082 497 1 2 . 1 1 27 27 ILE CA C 27 61.302 61.302 61.287 0.015 18082 498 1 2 . 1 1 27 27 ILE CB C 27 40.312 40.312 36.910 3.402 18082 499 1 2 . 1 1 27 27 ILE H H 27 9.970 9.970 8.731 1.239 18082 500 1 2 . 1 1 28 28 THR N N 28 116.315 116.315 121.613 -5.298 18082 501 1 2 . 1 1 28 28 THR HA H 28 4.921 4.921 5.068 -0.147 18082 502 1 2 . 1 1 28 28 THR CA C 28 59.359 59.359 59.947 -0.588 18082 503 1 2 . 1 1 28 28 THR CB C 28 72.614 72.614 72.035 0.579 18082 504 1 2 . 1 1 28 28 THR H H 28 8.356 8.356 8.340 0.016 18082 505 1 2 . 1 1 29 29 THR N N 29 113.124 113.124 116.083 -2.959 18082 506 1 2 . 1 1 29 29 THR HA H 29 3.748 3.748 3.896 -0.148 18082 507 1 2 . 1 1 29 29 THR CA C 29 66.445 66.445 66.362 0.083 18082 508 1 2 . 1 1 29 29 THR CB C 29 68.069 68.069 68.322 -0.253 18082 509 1 2 . 1 1 29 29 THR H H 29 9.115 9.115 9.046 0.069 18082 510 1 2 . 1 1 30 30 LYS N N 30 120.485 120.485 123.060 -2.575 18082 511 1 2 . 1 1 30 30 LYS HA H 30 4.106 4.106 3.981 0.125 18082 512 1 2 . 1 1 30 30 LYS CA C 30 59.216 59.216 59.801 -0.585 18082 513 1 2 . 1 1 30 30 LYS CB C 30 32.546 32.546 32.056 0.490 18082 514 1 2 . 1 1 30 30 LYS H H 30 7.639 7.639 8.285 -0.646 18082 515 1 2 . 1 1 31 31 GLU N N 31 121.786 121.786 119.030 2.756 18082 516 1 2 . 1 1 31 31 GLU HA H 31 4.003 4.003 3.942 0.061 18082 517 1 2 . 1 1 31 31 GLU CA C 31 59.642 59.642 58.666 0.976 18082 518 1 2 . 1 1 31 31 GLU CB C 31 29.605 29.605 29.150 0.455 18082 519 1 2 . 1 1 31 31 GLU H H 31 7.693 7.693 7.778 -0.085 18082 520 1 2 . 1 1 32 32 LEU N N 32 120.699 120.699 121.153 -0.454 18082 521 1 2 . 1 1 32 32 LEU HA H 32 4.093 4.093 4.351 -0.258 18082 522 1 2 . 1 1 32 32 LEU CA C 32 58.340 58.340 57.536 0.804 18082 523 1 2 . 1 1 32 32 LEU CB C 32 42.173 42.173 42.112 0.061 18082 524 1 2 . 1 1 32 32 LEU H H 32 8.585 8.585 7.740 0.845 18082 525 1 2 . 1 1 33 33 GLY N N 33 106.061 106.061 105.217 0.844 18082 526 1 2 . 1 1 33 33 GLY CA C 33 48.681 48.681 47.527 1.154 18082 527 1 2 . 1 1 33 33 GLY H H 33 8.715 8.715 8.624 0.091 18082 528 1 2 . 1 1 34 34 THR N N 34 118.195 118.195 115.579 2.616 18082 529 1 2 . 1 1 34 34 THR HA H 34 3.929 3.929 3.932 -0.003 18082 530 1 2 . 1 1 34 34 THR CA C 34 66.961 66.961 65.720 1.241 18082 531 1 2 . 1 1 34 34 THR CB C 34 68.764 68.764 68.589 0.175 18082 532 1 2 . 1 1 34 34 THR H H 34 7.947 7.947 7.776 0.171 18082 533 1 2 . 1 1 35 35 VAL N N 35 122.412 122.412 121.791 0.621 18082 534 1 2 . 1 1 35 35 VAL HA H 35 3.609 3.609 3.732 -0.123 18082 535 1 2 . 1 1 35 35 VAL CA C 35 66.554 66.554 65.455 1.099 18082 536 1 2 . 1 1 35 35 VAL CB C 35 31.479 31.479 31.440 0.039 18082 537 1 2 . 1 1 35 35 VAL H H 35 7.760 7.760 7.322 0.438 18082 538 1 2 . 1 1 36 36 MET N N 36 118.407 118.407 117.815 0.592 18082 539 1 2 . 1 1 36 36 MET HA H 36 4.104 4.104 4.029 0.075 18082 540 1 2 . 1 1 36 36 MET CA C 36 58.532 58.532 59.448 -0.916 18082 541 1 2 . 1 1 36 36 MET CB C 36 30.782 30.782 32.228 -1.446 18082 542 1 2 . 1 1 36 36 MET H H 36 8.583 8.583 7.494 1.089 18082 543 1 2 . 1 1 37 37 ARG N N 37 119.070 119.070 120.039 -0.969 18082 544 1 2 . 1 1 37 37 ARG HA H 37 4.789 4.789 4.089 0.700 18082 545 1 2 . 1 1 37 37 ARG CA C 37 59.141 59.141 59.665 -0.524 18082 546 1 2 . 1 1 37 37 ARG CB C 37 30.019 30.019 30.317 -0.298 18082 547 1 2 . 1 1 37 37 ARG H H 37 8.499 8.499 8.601 -0.102 18082 548 1 2 . 1 1 38 38 SER N N 38 118.897 118.897 114.068 4.829 18082 549 1 2 . 1 1 38 38 SER HA H 38 4.417 4.417 4.381 0.036 18082 550 1 2 . 1 1 38 38 SER CA C 38 61.450 61.450 60.256 1.194 18082 551 1 2 . 1 1 38 38 SER CB C 38 62.846 62.846 63.209 -0.363 18082 552 1 2 . 1 1 38 38 SER H H 38 7.965 7.965 7.714 0.251 18082 553 1 2 . 1 1 39 39 LEU N N 39 120.765 120.765 121.844 -1.079 18082 554 1 2 . 1 1 39 39 LEU HA H 39 4.489 4.489 4.574 -0.085 18082 555 1 2 . 1 1 39 39 LEU CA C 39 54.576 54.576 55.630 -1.054 18082 556 1 2 . 1 1 39 39 LEU CB C 39 41.963 41.963 43.850 -1.887 18082 557 1 2 . 1 1 39 39 LEU H H 39 7.387 7.387 7.312 0.075 18082 558 1 2 . 1 1 40 40 GLY N N 40 107.022 107.022 106.268 0.754 18082 559 1 2 . 1 1 40 40 GLY CA C 40 45.637 45.637 45.373 0.265 18082 560 1 2 . 1 1 40 40 GLY H H 40 7.889 7.889 8.204 -0.315 18082 561 1 2 . 1 1 41 41 GLN N N 41 118.231 118.231 119.511 -1.280 18082 562 1 2 . 1 1 41 41 GLN HA H 41 4.495 4.495 3.817 0.678 18082 563 1 2 . 1 1 41 41 GLN CA C 41 54.440 54.440 56.492 -2.052 18082 564 1 2 . 1 1 41 41 GLN CB C 41 30.703 30.703 28.747 1.956 18082 565 1 2 . 1 1 41 41 GLN H H 41 7.747 7.747 8.012 -0.265 18082 566 1 2 . 1 1 42 42 ASN N N 42 116.416 116.416 120.605 -4.189 18082 567 1 2 . 1 1 42 42 ASN CA C 42 51.308 51.308 50.907 0.401 18082 568 1 2 . 1 1 42 42 ASN CB C 42 39.272 39.272 40.007 -0.735 18082 569 1 2 . 1 1 42 42 ASN H H 42 8.663 8.663 8.454 0.209 18082 570 1 2 . 1 1 43 43 PRO HA H 43 4.742 4.742 4.559 0.183 18082 571 1 2 . 1 1 43 43 PRO CA C 43 62.393 62.393 62.495 -0.102 18082 572 1 2 . 1 1 43 43 PRO CB C 43 31.969 31.969 32.850 -0.881 18082 573 1 2 . 1 1 44 44 THR N N 44 112.768 112.768 111.995 0.773 18082 574 1 2 . 1 1 44 44 THR HA H 44 4.723 4.723 4.389 0.334 18082 575 1 2 . 1 1 44 44 THR CA C 44 60.656 60.656 60.965 -0.309 18082 576 1 2 . 1 1 44 44 THR CB C 44 71.220 71.220 70.338 0.882 18082 577 1 2 . 1 1 44 44 THR H H 44 8.790 8.790 9.164 -0.374 18082 578 1 2 . 1 1 45 45 GLU N N 45 120.454 120.454 121.447 -0.993 18082 579 1 2 . 1 1 45 45 GLU HA H 45 3.970 3.970 4.043 -0.073 18082 580 1 2 . 1 1 45 45 GLU CA C 45 60.178 60.178 60.335 -0.157 18082 581 1 2 . 1 1 45 45 GLU CB C 45 29.056 29.056 28.684 0.372 18082 582 1 2 . 1 1 45 45 GLU H H 45 8.771 8.771 8.920 -0.149 18082 583 1 2 . 1 1 46 46 ALA N N 46 120.779 120.779 122.276 -1.497 18082 584 1 2 . 1 1 46 46 ALA HA H 46 4.105 4.105 4.129 -0.024 18082 585 1 2 . 1 1 46 46 ALA CA C 46 55.119 55.119 54.990 0.129 18082 586 1 2 . 1 1 46 46 ALA CB C 46 18.275 18.275 18.207 0.068 18082 587 1 2 . 1 1 46 46 ALA H H 46 8.187 8.187 8.210 -0.023 18082 588 1 2 . 1 1 47 47 GLU N N 47 118.876 118.876 119.101 -0.225 18082 589 1 2 . 1 1 47 47 GLU HA H 47 3.988 3.988 4.018 -0.029 18082 590 1 2 . 1 1 47 47 GLU CA C 47 59.179 59.179 58.971 0.208 18082 591 1 2 . 1 1 47 47 GLU CB C 47 29.871 29.871 29.561 0.311 18082 592 1 2 . 1 1 47 47 GLU H H 47 7.628 7.628 7.758 -0.130 18082 593 1 2 . 1 1 48 48 LEU N N 48 119.668 119.668 120.858 -1.190 18082 594 1 2 . 1 1 48 48 LEU HA H 48 3.952 3.952 4.039 -0.087 18082 595 1 2 . 1 1 48 48 LEU CA C 48 57.831 57.831 58.107 -0.276 18082 596 1 2 . 1 1 48 48 LEU CB C 48 42.435 42.435 41.998 0.437 18082 597 1 2 . 1 1 48 48 LEU H H 48 8.104 8.104 8.135 -0.031 18082 598 1 2 . 1 1 49 49 GLN N N 49 118.133 118.133 118.327 -0.194 18082 599 1 2 . 1 1 49 49 GLN HA H 49 3.851 3.851 4.017 -0.166 18082 600 1 2 . 1 1 49 49 GLN CA C 49 58.616 58.616 58.903 -0.286 18082 601 1 2 . 1 1 49 49 GLN CB C 49 28.202 28.202 28.701 -0.499 18082 602 1 2 . 1 1 49 49 GLN H H 49 8.168 8.168 7.785 0.383 18082 603 1 2 . 1 1 50 50 ASP N N 50 120.259 120.259 120.575 -0.316 18082 604 1 2 . 1 1 50 50 ASP HA H 50 4.459 4.459 4.398 0.061 18082 605 1 2 . 1 1 50 50 ASP CA C 50 57.787 57.787 56.977 0.810 18082 606 1 2 . 1 1 50 50 ASP CB C 50 40.475 40.475 40.724 -0.249 18082 607 1 2 . 1 1 50 50 ASP H H 50 8.053 8.053 8.470 -0.417 18082 608 1 2 . 1 1 51 51 MET N N 51 119.290 119.290 117.106 2.184 18082 609 1 2 . 1 1 51 51 MET HA H 51 4.095 4.095 4.304 -0.209 18082 610 1 2 . 1 1 51 51 MET CA C 51 60.031 60.031 57.306 2.725 18082 611 1 2 . 1 1 51 51 MET CB C 51 33.629 33.629 32.327 1.302 18082 612 1 2 . 1 1 51 51 MET H H 51 7.948 7.948 7.820 0.128 18082 613 1 2 . 1 1 52 52 ILE N N 52 119.018 119.018 119.468 -0.450 18082 614 1 2 . 1 1 52 52 ILE HA H 52 3.942 3.942 4.014 -0.072 18082 615 1 2 . 1 1 52 52 ILE CA C 52 63.568 63.568 61.777 1.791 18082 616 1 2 . 1 1 52 52 ILE CB C 52 36.623 36.623 38.297 -1.674 18082 617 1 2 . 1 1 52 52 ILE H H 52 7.793 7.793 7.584 0.209 18082 618 1 2 . 1 1 53 53 ASN N N 53 118.406 118.406 119.072 -0.666 18082 619 1 2 . 1 1 53 53 ASN HA H 53 4.427 4.427 4.515 -0.088 18082 620 1 2 . 1 1 53 53 ASN CA C 53 56.145 56.145 55.181 0.964 18082 621 1 2 . 1 1 53 53 ASN CB C 53 38.100 38.100 38.992 -0.892 18082 622 1 2 . 1 1 53 53 ASN H H 53 8.853 8.853 7.618 1.235 18082 623 1 2 . 1 1 54 54 GLU N N 54 116.393 116.393 118.770 -2.377 18082 624 1 2 . 1 1 54 54 GLU HA H 54 4.064 4.064 4.391 -0.327 18082 625 1 2 . 1 1 54 54 GLU CA C 54 59.025 59.025 56.569 2.456 18082 626 1 2 . 1 1 54 54 GLU CB C 54 30.347 30.347 29.460 0.887 18082 627 1 2 . 1 1 54 54 GLU H H 54 7.723 7.723 7.687 0.036 18082 628 1 2 . 1 1 55 55 VAL N N 55 112.052 112.052 117.565 -5.513 18082 629 1 2 . 1 1 55 55 VAL HA H 55 4.206 4.206 4.136 0.070 18082 630 1 2 . 1 1 55 55 VAL CA C 55 60.952 60.952 63.480 -2.528 18082 631 1 2 . 1 1 55 55 VAL CB C 55 33.117 33.117 33.982 -0.865 18082 632 1 2 . 1 1 55 55 VAL H H 55 7.154 7.154 7.561 -0.407 18082 633 1 2 . 1 1 56 56 ASP N N 56 121.462 121.462 123.044 -1.582 18082 634 1 2 . 1 1 56 56 ASP HA H 56 4.483 4.483 4.830 -0.347 18082 635 1 2 . 1 1 56 56 ASP CA C 56 53.871 53.871 52.589 1.282 18082 636 1 2 . 1 1 56 56 ASP CB C 56 40.414 40.414 40.219 0.195 18082 637 1 2 . 1 1 56 56 ASP H H 56 7.652 7.652 8.017 -0.365 18082 638 1 2 . 1 1 57 57 ALA N N 57 131.294 131.294 127.806 3.488 18082 639 1 2 . 1 1 57 57 ALA HA H 57 4.216 4.216 4.028 0.188 18082 640 1 2 . 1 1 57 57 ALA CA C 57 54.533 54.533 54.610 -0.077 18082 641 1 2 . 1 1 57 57 ALA CB C 57 19.810 19.810 18.921 0.889 18082 642 1 2 . 1 1 57 57 ALA H H 57 8.067 8.067 7.796 0.271 18082 643 1 2 . 1 1 58 58 ASP N N 58 113.873 113.873 116.169 -2.296 18082 644 1 2 . 1 1 58 58 ASP HA H 58 4.652 4.652 4.478 0.174 18082 645 1 2 . 1 1 58 58 ASP CA C 58 52.885 52.885 53.800 -0.915 18082 646 1 2 . 1 1 58 58 ASP CB C 58 39.916 39.916 40.290 -0.374 18082 647 1 2 . 1 1 58 58 ASP H H 58 8.236 8.236 7.984 0.252 18082 648 1 2 . 1 1 59 59 GLY N N 59 108.338 108.338 109.289 -0.951 18082 649 1 2 . 1 1 59 59 GLY CA C 59 47.252 47.252 45.489 1.763 18082 650 1 2 . 1 1 59 59 GLY H H 59 7.574 7.574 7.937 -0.363 18082 651 1 2 . 1 1 60 60 ASN N N 60 118.885 118.885 118.748 0.137 18082 652 1 2 . 1 1 60 60 ASN HA H 60 4.628 4.628 4.831 -0.203 18082 653 1 2 . 1 1 60 60 ASN CA C 60 52.889 52.889 53.104 -0.215 18082 654 1 2 . 1 1 60 60 ASN CB C 60 37.683 37.683 40.176 -2.494 18082 655 1 2 . 1 1 60 60 ASN H H 60 8.167 8.167 9.350 -1.183 18082 656 1 2 . 1 1 61 61 GLY N N 61 113.590 113.590 110.511 3.079 18082 657 1 2 . 1 1 61 61 GLY CA C 61 45.648 45.648 45.269 0.379 18082 658 1 2 . 1 1 61 61 GLY H H 61 10.620 10.620 9.211 1.409 18082 659 1 2 . 1 1 62 62 THR N N 62 108.235 108.235 114.538 -6.303 18082 660 1 2 . 1 1 62 62 THR HA H 62 4.822 4.822 5.075 -0.253 18082 661 1 2 . 1 1 62 62 THR CA C 62 59.531 59.531 61.680 -2.149 18082 662 1 2 . 1 1 62 62 THR CB C 62 72.479 72.479 72.207 0.272 18082 663 1 2 . 1 1 62 62 THR H H 62 7.671 7.671 7.588 0.083 18082 664 1 2 . 1 1 63 63 ILE N N 63 124.438 124.438 126.619 -2.181 18082 665 1 2 . 1 1 63 63 ILE HA H 63 5.357 5.357 4.774 0.583 18082 666 1 2 . 1 1 63 63 ILE CA C 63 58.123 58.123 59.899 -1.776 18082 667 1 2 . 1 1 63 63 ILE CB C 63 38.406 38.406 40.428 -2.022 18082 668 1 2 . 1 1 63 63 ILE H H 63 8.816 8.816 8.729 0.087 18082 669 1 2 . 1 1 64 64 ASP N N 64 128.393 128.393 128.585 -0.192 18082 670 1 2 . 1 1 64 64 ASP HA H 64 5.455 5.455 4.867 0.588 18082 671 1 2 . 1 1 64 64 ASP CA C 64 51.924 51.924 52.802 -0.878 18082 672 1 2 . 1 1 64 64 ASP CB C 64 42.237 42.237 43.798 -1.561 18082 673 1 2 . 1 1 64 64 ASP H H 64 8.811 8.811 9.216 -0.405 18082 674 1 2 . 1 1 65 65 PHE N N 65 118.159 118.159 119.602 -1.443 18082 675 1 2 . 1 1 65 65 PHE HA H 65 3.993 3.993 4.448 -0.455 18082 676 1 2 . 1 1 65 65 PHE CA C 65 63.050 63.050 63.737 -0.688 18082 677 1 2 . 1 1 65 65 PHE CB C 65 35.932 35.932 36.204 -0.272 18082 678 1 2 . 1 1 65 65 PHE H H 65 8.926 8.926 9.061 -0.135 18082 679 1 2 . 1 1 66 66 PRO HA H 66 3.827 3.827 4.278 -0.451 18082 680 1 2 . 1 1 66 66 PRO CA C 66 66.950 66.950 66.348 0.602 18082 681 1 2 . 1 1 66 66 PRO CB C 66 30.758 30.758 31.166 -0.409 18082 682 1 2 . 1 1 67 67 GLU N N 67 117.916 117.916 118.525 -0.609 18082 683 1 2 . 1 1 67 67 GLU HA H 67 3.988 3.988 4.165 -0.177 18082 684 1 2 . 1 1 67 67 GLU CA C 67 59.100 59.100 59.459 -0.359 18082 685 1 2 . 1 1 67 67 GLU CB C 67 29.855 29.855 29.302 0.553 18082 686 1 2 . 1 1 67 67 GLU H H 67 8.267 8.267 8.421 -0.154 18082 687 1 2 . 1 1 68 68 PHE N N 68 123.365 123.365 122.276 1.089 18082 688 1 2 . 1 1 68 68 PHE HA H 68 3.632 3.632 4.220 -0.588 18082 689 1 2 . 1 1 68 68 PHE CA C 68 61.413 61.413 61.656 -0.243 18082 690 1 2 . 1 1 68 68 PHE CB C 68 40.628 40.628 39.233 1.395 18082 691 1 2 . 1 1 68 68 PHE H H 68 8.631 8.631 8.750 -0.119 18082 692 1 2 . 1 1 69 69 LEU N N 69 120.250 120.250 117.170 3.080 18082 693 1 2 . 1 1 69 69 LEU HA H 69 3.304 3.304 4.007 -0.703 18082 694 1 2 . 1 1 69 69 LEU CA C 69 57.940 57.940 58.001 -0.061 18082 695 1 2 . 1 1 69 69 LEU CB C 69 41.342 41.342 41.522 -0.180 18082 696 1 2 . 1 1 69 69 LEU H H 69 9.006 9.006 8.520 0.486 18082 697 1 2 . 1 1 70 70 THR N N 70 114.585 114.585 113.229 1.356 18082 698 1 2 . 1 1 70 70 THR HA H 70 3.640 3.640 4.092 -0.452 18082 699 1 2 . 1 1 70 70 THR CA C 70 66.819 66.819 65.686 1.133 18082 700 1 2 . 1 1 70 70 THR CB C 70 68.615 68.615 68.954 -0.340 18082 701 1 2 . 1 1 70 70 THR H H 70 7.671 7.671 7.304 0.367 18082 702 1 2 . 1 1 71 71 MET N N 71 120.319 120.319 123.109 -2.790 18082 703 1 2 . 1 1 71 71 MET HA H 71 3.825 3.825 4.069 -0.244 18082 704 1 2 . 1 1 71 71 MET CA C 71 58.513 58.513 58.242 0.271 18082 705 1 2 . 1 1 71 71 MET CB C 71 30.796 30.796 32.174 -1.378 18082 706 1 2 . 1 1 71 71 MET H H 71 7.095 7.095 8.530 -1.435 18082 707 1 2 . 1 1 72 72 MET N N 72 118.715 118.715 119.325 -0.610 18082 708 1 2 . 1 1 72 72 MET HA H 72 3.802 3.802 4.149 -0.347 18082 709 1 2 . 1 1 72 72 MET CA C 72 56.247 56.247 56.566 -0.319 18082 710 1 2 . 1 1 72 72 MET CB C 72 30.368 30.368 31.981 -1.613 18082 711 1 2 . 1 1 72 72 MET H H 72 8.004 8.004 8.024 -0.020 18082 712 1 2 . 1 1 73 73 ALA N N 73 121.244 121.244 120.448 0.796 18082 713 1 2 . 1 1 73 73 ALA HA H 73 4.028 4.028 4.404 -0.376 18082 714 1 2 . 1 1 73 73 ALA CA C 73 54.594 54.594 52.553 2.041 18082 715 1 2 . 1 1 73 73 ALA CB C 73 18.233 18.233 19.379 -1.146 18082 716 1 2 . 1 1 73 73 ALA H H 73 8.298 8.298 7.218 1.080 18082 717 1 2 . 1 1 74 74 ARG N N 74 116.638 116.638 120.413 -3.775 18082 718 1 2 . 1 1 74 74 ARG HA H 74 4.086 4.086 4.290 -0.204 18082 719 1 2 . 1 1 74 74 ARG CA C 74 58.442 58.442 55.047 3.395 18082 720 1 2 . 1 1 74 74 ARG CB C 74 30.239 30.239 28.337 1.903 18082 721 1 2 . 1 1 74 74 ARG H H 74 7.378 7.378 7.527 -0.149 18082 722 1 2 . 1 1 75 75 LYS N N 75 118.910 118.910 121.660 -2.750 18082 723 1 2 . 1 1 75 75 LYS HA H 75 4.208 4.208 4.232 -0.024 18082 724 1 2 . 1 1 75 75 LYS CA C 75 57.508 57.508 56.550 0.958 18082 725 1 2 . 1 1 75 75 LYS CB C 75 32.532 32.532 33.063 -0.531 18082 726 1 2 . 1 1 75 75 LYS H H 75 7.779 7.779 7.882 -0.103 18082 727 1 2 . 1 1 76 76 MET N N 76 117.825 117.825 121.419 -3.594 18082 728 1 2 . 1 1 76 76 MET HA H 76 4.353 4.353 4.513 -0.160 18082 729 1 2 . 1 1 76 76 MET CA C 76 56.880 56.880 54.726 2.154 18082 730 1 2 . 1 1 76 76 MET CB C 76 32.784 32.784 34.260 -1.476 18082 731 1 2 . 1 1 76 76 MET H H 76 7.789 7.789 8.342 -0.553 18082 732 1 2 . 1 1 77 77 LYS N N 77 119.283 119.283 120.983 -1.700 18082 733 1 2 . 1 1 77 77 LYS HA H 77 4.355 4.355 4.404 -0.049 18082 734 1 2 . 1 1 77 77 LYS CA C 77 56.490 56.490 56.042 0.448 18082 735 1 2 . 1 1 77 77 LYS CB C 77 33.115 33.115 32.576 0.539 18082 736 1 2 . 1 1 77 77 LYS H H 77 7.711 7.711 8.443 -0.732 18082 737 1 2 . 1 1 78 78 ASP N N 78 121.107 121.107 120.199 0.908 18082 738 1 2 . 1 1 78 78 ASP HA H 78 4.695 4.695 4.636 0.059 18082 739 1 2 . 1 1 78 78 ASP CA C 78 54.680 54.680 54.240 0.440 18082 740 1 2 . 1 1 78 78 ASP CB C 78 41.207 41.207 41.393 -0.186 18082 741 1 2 . 1 1 78 78 ASP H H 78 8.089 8.089 7.705 0.384 18082 742 1 2 . 1 1 79 79 THR N N 79 112.761 112.761 117.834 -5.073 18082 743 1 2 . 1 1 79 79 THR HA H 79 4.390 4.390 4.355 0.035 18082 744 1 2 . 1 1 79 79 THR CA C 79 61.469 61.469 62.415 -0.946 18082 745 1 2 . 1 1 79 79 THR CB C 79 70.178 70.178 68.232 1.946 18082 746 1 2 . 1 1 79 79 THR H H 79 7.935 7.935 8.298 -0.363 18082 747 1 3 . 1 1 2 2 ASP N N 2 117.390 117.390 121.164 -3.774 18082 748 1 3 . 1 1 2 2 ASP HA H 2 4.521 4.521 4.716 -0.195 18082 749 1 3 . 1 1 2 2 ASP CA C 2 55.014 55.014 54.416 0.598 18082 750 1 3 . 1 1 2 2 ASP CB C 2 40.955 40.955 40.911 0.044 18082 751 1 3 . 1 1 2 2 ASP H H 2 8.039 8.039 8.367 -0.328 18082 752 1 3 . 1 1 3 3 GLN N N 3 118.072 118.072 124.651 -6.579 18082 753 1 3 . 1 1 3 3 GLN HA H 3 4.357 4.357 4.449 -0.092 18082 754 1 3 . 1 1 3 3 GLN CA C 3 55.636 55.636 56.284 -0.648 18082 755 1 3 . 1 1 3 3 GLN CB C 3 29.695 29.695 30.178 -0.483 18082 756 1 3 . 1 1 3 3 GLN H H 3 7.949 7.949 8.373 -0.424 18082 757 1 3 . 1 1 4 4 LEU N N 4 121.793 121.793 122.915 -1.122 18082 758 1 3 . 1 1 4 4 LEU HA H 4 4.692 4.692 4.417 0.275 18082 759 1 3 . 1 1 4 4 LEU CA C 4 54.358 54.358 54.742 -0.384 18082 760 1 3 . 1 1 4 4 LEU CB C 4 43.712 43.712 40.286 3.426 18082 761 1 3 . 1 1 4 4 LEU H H 4 7.841 7.841 8.326 -0.485 18082 762 1 3 . 1 1 5 5 THR N N 5 112.587 112.587 115.651 -3.064 18082 763 1 3 . 1 1 5 5 THR HA H 5 4.772 4.772 4.263 0.509 18082 764 1 3 . 1 1 5 5 THR CA C 5 60.388 60.388 62.590 -2.202 18082 765 1 3 . 1 1 5 5 THR CB C 5 71.243 71.243 69.580 1.663 18082 766 1 3 . 1 1 5 5 THR H H 5 8.625 8.625 7.891 0.734 18082 767 1 3 . 1 1 6 6 GLU N N 6 120.574 120.574 119.176 1.398 18082 768 1 3 . 1 1 6 6 GLU HA H 6 3.976 3.976 4.161 -0.185 18082 769 1 3 . 1 1 6 6 GLU CA C 6 60.180 60.180 57.168 3.012 18082 770 1 3 . 1 1 6 6 GLU CB C 6 29.285 29.285 28.845 0.440 18082 771 1 3 . 1 1 6 6 GLU H H 6 8.995 8.995 8.748 0.247 18082 772 1 3 . 1 1 7 7 GLU N N 7 119.338 119.338 118.238 1.100 18082 773 1 3 . 1 1 7 7 GLU HA H 7 4.063 4.063 4.296 -0.233 18082 774 1 3 . 1 1 7 7 GLU CA C 7 60.062 60.062 57.353 2.709 18082 775 1 3 . 1 1 7 7 GLU CB C 7 29.198 29.198 29.615 -0.417 18082 776 1 3 . 1 1 7 7 GLU H H 7 8.678 8.678 8.165 0.513 18082 777 1 3 . 1 1 8 8 GLN N N 8 120.308 120.308 118.533 1.775 18082 778 1 3 . 1 1 8 8 GLN HA H 8 3.874 3.874 4.073 -0.199 18082 779 1 3 . 1 1 8 8 GLN CA C 8 58.626 58.626 57.284 1.342 18082 780 1 3 . 1 1 8 8 GLN CB C 8 29.201 29.201 29.141 0.060 18082 781 1 3 . 1 1 8 8 GLN H H 8 7.684 7.684 8.106 -0.422 18082 782 1 3 . 1 1 9 9 ILE N N 9 119.371 119.371 119.523 -0.152 18082 783 1 3 . 1 1 9 9 ILE HA H 9 3.675 3.675 3.719 -0.044 18082 784 1 3 . 1 1 9 9 ILE CA C 9 66.241 66.241 64.364 1.877 18082 785 1 3 . 1 1 9 9 ILE CB C 9 37.702 37.702 37.540 0.162 18082 786 1 3 . 1 1 9 9 ILE H H 9 8.339 8.339 7.528 0.811 18082 787 1 3 . 1 1 10 10 ALA N N 10 121.339 121.339 120.053 1.286 18082 788 1 3 . 1 1 10 10 ALA HA H 10 4.118 4.118 3.987 0.131 18082 789 1 3 . 1 1 10 10 ALA CA C 10 55.648 55.648 54.844 0.804 18082 790 1 3 . 1 1 10 10 ALA CB C 10 17.908 17.908 18.101 -0.193 18082 791 1 3 . 1 1 10 10 ALA H H 10 8.048 8.048 8.164 -0.116 18082 792 1 3 . 1 1 11 11 GLU N N 11 119.886 119.886 117.394 2.492 18082 793 1 3 . 1 1 11 11 GLU HA H 11 4.187 4.187 4.173 0.014 18082 794 1 3 . 1 1 11 11 GLU CA C 11 59.577 59.577 57.853 1.724 18082 795 1 3 . 1 1 11 11 GLU CB C 11 29.306 29.306 29.658 -0.352 18082 796 1 3 . 1 1 11 11 GLU H H 11 7.792 7.792 7.438 0.354 18082 797 1 3 . 1 1 12 12 PHE N N 12 119.957 119.957 118.624 1.333 18082 798 1 3 . 1 1 12 12 PHE HA H 12 5.011 5.011 4.409 0.602 18082 799 1 3 . 1 1 12 12 PHE CA C 12 59.173 59.173 59.164 0.009 18082 800 1 3 . 1 1 12 12 PHE CB C 12 37.617 37.617 38.549 -0.932 18082 801 1 3 . 1 1 12 12 PHE H H 12 8.527 8.527 7.343 1.184 18082 802 1 3 . 1 1 13 13 LYS N N 13 123.937 123.937 119.027 4.910 18082 803 1 3 . 1 1 13 13 LYS HA H 13 4.015 4.015 4.248 -0.233 18082 804 1 3 . 1 1 13 13 LYS CA C 13 60.169 60.169 59.444 0.725 18082 805 1 3 . 1 1 13 13 LYS CB C 13 31.986 31.986 32.075 -0.089 18082 806 1 3 . 1 1 13 13 LYS H H 13 9.246 9.246 7.959 1.287 18082 807 1 3 . 1 1 14 14 GLU N N 14 120.885 120.885 119.635 1.250 18082 808 1 3 . 1 1 14 14 GLU HA H 14 4.130 4.130 4.105 0.025 18082 809 1 3 . 1 1 14 14 GLU CA C 14 59.653 59.653 58.547 1.106 18082 810 1 3 . 1 1 14 14 GLU CB C 14 29.125 29.125 28.876 0.249 18082 811 1 3 . 1 1 14 14 GLU H H 14 7.956 7.956 7.528 0.428 18082 812 1 3 . 1 1 15 15 ALA N N 15 121.878 121.878 121.444 0.434 18082 813 1 3 . 1 1 15 15 ALA HA H 15 4.257 4.257 3.976 0.281 18082 814 1 3 . 1 1 15 15 ALA CA C 15 55.565 55.565 54.731 0.834 18082 815 1 3 . 1 1 15 15 ALA CB C 15 18.237 18.237 17.808 0.429 18082 816 1 3 . 1 1 15 15 ALA H H 15 8.129 8.129 7.280 0.849 18082 817 1 3 . 1 1 16 16 PHE N N 16 118.993 118.993 112.627 6.366 18082 818 1 3 . 1 1 16 16 PHE HA H 16 3.326 3.326 4.561 -1.235 18082 819 1 3 . 1 1 16 16 PHE CA C 16 62.270 62.270 57.801 4.469 18082 820 1 3 . 1 1 16 16 PHE CB C 16 39.695 39.695 37.971 1.724 18082 821 1 3 . 1 1 16 16 PHE H H 16 8.800 8.800 7.051 1.749 18082 822 1 3 . 1 1 17 17 SER N N 17 113.609 113.609 114.057 -0.448 18082 823 1 3 . 1 1 17 17 SER HA H 17 4.166 4.166 4.674 -0.508 18082 824 1 3 . 1 1 17 17 SER CA C 17 61.564 61.564 59.652 1.912 18082 825 1 3 . 1 1 17 17 SER CB C 17 63.457 63.457 65.934 -2.477 18082 826 1 3 . 1 1 17 17 SER H H 17 8.062 8.062 7.546 0.516 18082 827 1 3 . 1 1 18 18 LEU N N 18 120.325 120.325 121.403 -1.078 18082 828 1 3 . 1 1 18 18 LEU HA H 18 4.005 4.005 4.447 -0.442 18082 829 1 3 . 1 1 18 18 LEU CA C 18 57.028 57.028 56.480 0.548 18082 830 1 3 . 1 1 18 18 LEU CB C 18 41.523 41.523 42.950 -1.427 18082 831 1 3 . 1 1 18 18 LEU H H 18 7.452 7.452 8.504 -1.052 18082 832 1 3 . 1 1 19 19 PHE N N 19 113.738 113.738 120.478 -6.740 18082 833 1 3 . 1 1 19 19 PHE HA H 19 4.245 4.245 4.375 -0.130 18082 834 1 3 . 1 1 19 19 PHE CA C 19 59.530 59.530 60.093 -0.563 18082 835 1 3 . 1 1 19 19 PHE CB C 19 41.928 41.928 39.853 2.075 18082 836 1 3 . 1 1 19 19 PHE H H 19 7.187 7.187 7.855 -0.668 18082 837 1 3 . 1 1 20 20 ASP N N 20 116.566 116.566 116.899 -0.333 18082 838 1 3 . 1 1 20 20 ASP HA H 20 4.565 4.565 4.582 -0.017 18082 839 1 3 . 1 1 20 20 ASP CA C 20 52.488 52.488 54.821 -2.333 18082 840 1 3 . 1 1 20 20 ASP CB C 20 39.280 39.280 42.071 -2.791 18082 841 1 3 . 1 1 20 20 ASP H H 20 7.733 7.733 7.707 0.026 18082 842 1 3 . 1 1 21 21 LYS N N 21 124.387 124.387 123.408 0.979 18082 843 1 3 . 1 1 21 21 LYS HA H 21 3.987 3.987 4.552 -0.565 18082 844 1 3 . 1 1 21 21 LYS CA C 21 58.353 58.353 55.897 2.456 18082 845 1 3 . 1 1 21 21 LYS CB C 21 32.514 32.514 33.282 -0.768 18082 846 1 3 . 1 1 21 21 LYS H H 21 7.668 7.668 8.593 -0.925 18082 847 1 3 . 1 1 22 22 ASP N N 22 114.142 114.142 119.658 -5.516 18082 848 1 3 . 1 1 22 22 ASP HA H 22 4.594 4.594 4.657 -0.063 18082 849 1 3 . 1 1 22 22 ASP CA C 22 52.934 52.934 54.852 -1.918 18082 850 1 3 . 1 1 22 22 ASP CB C 22 39.645 39.645 41.562 -1.917 18082 851 1 3 . 1 1 22 22 ASP H H 22 8.135 8.135 8.063 0.072 18082 852 1 3 . 1 1 23 23 GLY N N 23 109.286 109.286 109.010 0.276 18082 853 1 3 . 1 1 23 23 GLY CA C 23 47.308 47.308 45.450 1.858 18082 854 1 3 . 1 1 23 23 GLY H H 23 7.683 7.683 8.495 -0.812 18082 855 1 3 . 1 1 24 24 ASP N N 24 120.949 120.949 120.437 0.512 18082 856 1 3 . 1 1 24 24 ASP HA H 24 4.525 4.525 4.656 -0.131 18082 857 1 3 . 1 1 24 24 ASP CA C 24 53.891 53.891 53.049 0.842 18082 858 1 3 . 1 1 24 24 ASP CB C 24 40.513 40.513 41.208 -0.695 18082 859 1 3 . 1 1 24 24 ASP H H 24 8.477 8.477 8.588 -0.111 18082 860 1 3 . 1 1 25 25 GLY N N 25 112.905 112.905 109.168 3.737 18082 861 1 3 . 1 1 25 25 GLY CA C 25 45.496 45.496 45.776 -0.280 18082 862 1 3 . 1 1 25 25 GLY H H 25 10.567 10.567 8.672 1.895 18082 863 1 3 . 1 1 26 26 THR N N 26 112.165 112.165 110.890 1.275 18082 864 1 3 . 1 1 26 26 THR HA H 26 5.421 5.421 5.053 0.367 18082 865 1 3 . 1 1 26 26 THR CA C 26 59.692 59.692 59.584 0.108 18082 866 1 3 . 1 1 26 26 THR CB C 26 72.792 72.792 71.546 1.246 18082 867 1 3 . 1 1 26 26 THR H H 26 8.238 8.238 8.565 -0.327 18082 868 1 3 . 1 1 27 27 ILE N N 27 126.801 126.801 127.625 -0.824 18082 869 1 3 . 1 1 27 27 ILE HA H 27 4.846 4.846 4.248 0.598 18082 870 1 3 . 1 1 27 27 ILE CA C 27 61.302 61.302 62.036 -0.734 18082 871 1 3 . 1 1 27 27 ILE CB C 27 40.312 40.312 37.096 3.216 18082 872 1 3 . 1 1 27 27 ILE H H 27 9.970 9.970 8.479 1.491 18082 873 1 3 . 1 1 28 28 THR N N 28 116.315 116.315 119.829 -3.514 18082 874 1 3 . 1 1 28 28 THR HA H 28 4.921 4.921 5.455 -0.534 18082 875 1 3 . 1 1 28 28 THR CA C 28 59.359 59.359 59.473 -0.114 18082 876 1 3 . 1 1 28 28 THR CB C 28 72.614 72.614 72.103 0.511 18082 877 1 3 . 1 1 28 28 THR H H 28 8.356 8.356 9.220 -0.864 18082 878 1 3 . 1 1 29 29 THR N N 29 113.124 113.124 115.052 -1.928 18082 879 1 3 . 1 1 29 29 THR HA H 29 3.748 3.748 3.990 -0.242 18082 880 1 3 . 1 1 29 29 THR CA C 29 66.445 66.445 66.380 0.065 18082 881 1 3 . 1 1 29 29 THR CB C 29 68.069 68.069 68.039 0.030 18082 882 1 3 . 1 1 29 29 THR H H 29 9.115 9.115 8.834 0.281 18082 883 1 3 . 1 1 30 30 LYS N N 30 120.485 120.485 122.215 -1.730 18082 884 1 3 . 1 1 30 30 LYS HA H 30 4.106 4.106 3.980 0.126 18082 885 1 3 . 1 1 30 30 LYS CA C 30 59.216 59.216 59.757 -0.541 18082 886 1 3 . 1 1 30 30 LYS CB C 30 32.546 32.546 32.328 0.218 18082 887 1 3 . 1 1 30 30 LYS H H 30 7.639 7.639 7.688 -0.049 18082 888 1 3 . 1 1 31 31 GLU N N 31 121.786 121.786 118.763 3.023 18082 889 1 3 . 1 1 31 31 GLU HA H 31 4.003 4.003 3.963 0.040 18082 890 1 3 . 1 1 31 31 GLU CA C 31 59.642 59.642 58.757 0.885 18082 891 1 3 . 1 1 31 31 GLU CB C 31 29.605 29.605 29.410 0.195 18082 892 1 3 . 1 1 31 31 GLU H H 31 7.693 7.693 7.804 -0.111 18082 893 1 3 . 1 1 32 32 LEU N N 32 120.699 120.699 120.818 -0.119 18082 894 1 3 . 1 1 32 32 LEU HA H 32 4.093 4.093 4.386 -0.293 18082 895 1 3 . 1 1 32 32 LEU CA C 32 58.340 58.340 57.046 1.294 18082 896 1 3 . 1 1 32 32 LEU CB C 32 42.173 42.173 42.210 -0.037 18082 897 1 3 . 1 1 32 32 LEU H H 32 8.585 8.585 7.539 1.046 18082 898 1 3 . 1 1 33 33 GLY N N 33 106.061 106.061 105.504 0.557 18082 899 1 3 . 1 1 33 33 GLY CA C 33 48.681 48.681 47.302 1.379 18082 900 1 3 . 1 1 33 33 GLY H H 33 8.715 8.715 8.483 0.232 18082 901 1 3 . 1 1 34 34 THR N N 34 118.195 118.195 116.710 1.485 18082 902 1 3 . 1 1 34 34 THR HA H 34 3.929 3.929 3.883 0.046 18082 903 1 3 . 1 1 34 34 THR CA C 34 66.961 66.961 65.925 1.036 18082 904 1 3 . 1 1 34 34 THR CB C 34 68.764 68.764 68.539 0.225 18082 905 1 3 . 1 1 34 34 THR H H 34 7.947 7.947 7.542 0.405 18082 906 1 3 . 1 1 35 35 VAL N N 35 122.412 122.412 122.209 0.203 18082 907 1 3 . 1 1 35 35 VAL HA H 35 3.609 3.609 3.753 -0.144 18082 908 1 3 . 1 1 35 35 VAL CA C 35 66.554 66.554 65.222 1.332 18082 909 1 3 . 1 1 35 35 VAL CB C 35 31.479 31.479 31.485 -0.006 18082 910 1 3 . 1 1 35 35 VAL H H 35 7.760 7.760 7.424 0.336 18082 911 1 3 . 1 1 36 36 MET N N 36 118.407 118.407 119.206 -0.799 18082 912 1 3 . 1 1 36 36 MET HA H 36 4.104 4.104 4.042 0.062 18082 913 1 3 . 1 1 36 36 MET CA C 36 58.532 58.532 59.542 -1.010 18082 914 1 3 . 1 1 36 36 MET CB C 36 30.782 30.782 32.219 -1.437 18082 915 1 3 . 1 1 36 36 MET H H 36 8.583 8.583 7.417 1.166 18082 916 1 3 . 1 1 37 37 ARG N N 37 119.070 119.070 118.716 0.354 18082 917 1 3 . 1 1 37 37 ARG HA H 37 4.789 4.789 4.147 0.642 18082 918 1 3 . 1 1 37 37 ARG CA C 37 59.141 59.141 59.178 -0.037 18082 919 1 3 . 1 1 37 37 ARG CB C 37 30.019 30.019 30.316 -0.297 18082 920 1 3 . 1 1 37 37 ARG H H 37 8.499 8.499 8.375 0.124 18082 921 1 3 . 1 1 38 38 SER N N 38 118.897 118.897 113.175 5.722 18082 922 1 3 . 1 1 38 38 SER HA H 38 4.417 4.417 4.530 -0.113 18082 923 1 3 . 1 1 38 38 SER CA C 38 61.450 61.450 60.018 1.432 18082 924 1 3 . 1 1 38 38 SER CB C 38 62.846 62.846 63.508 -0.662 18082 925 1 3 . 1 1 38 38 SER H H 38 7.965 7.965 7.613 0.352 18082 926 1 3 . 1 1 39 39 LEU N N 39 120.765 120.765 120.943 -0.178 18082 927 1 3 . 1 1 39 39 LEU HA H 39 4.489 4.489 4.671 -0.182 18082 928 1 3 . 1 1 39 39 LEU CA C 39 54.576 54.576 55.136 -0.560 18082 929 1 3 . 1 1 39 39 LEU CB C 39 41.963 41.963 44.328 -2.365 18082 930 1 3 . 1 1 39 39 LEU H H 39 7.387 7.387 7.674 -0.287 18082 931 1 3 . 1 1 40 40 GLY N N 40 107.022 107.022 106.495 0.527 18082 932 1 3 . 1 1 40 40 GLY CA C 40 45.637 45.637 45.757 -0.120 18082 933 1 3 . 1 1 40 40 GLY H H 40 7.889 7.889 8.341 -0.452 18082 934 1 3 . 1 1 41 41 GLN N N 41 118.231 118.231 117.813 0.418 18082 935 1 3 . 1 1 41 41 GLN HA H 41 4.495 4.495 3.756 0.739 18082 936 1 3 . 1 1 41 41 GLN CA C 41 54.440 54.440 56.378 -1.938 18082 937 1 3 . 1 1 41 41 GLN CB C 41 30.703 30.703 28.624 2.079 18082 938 1 3 . 1 1 41 41 GLN H H 41 7.747 7.747 8.302 -0.555 18082 939 1 3 . 1 1 42 42 ASN N N 42 116.416 116.416 118.452 -2.036 18082 940 1 3 . 1 1 42 42 ASN CA C 42 51.308 51.308 50.624 0.684 18082 941 1 3 . 1 1 42 42 ASN CB C 42 39.272 39.272 39.530 -0.258 18082 942 1 3 . 1 1 42 42 ASN H H 42 8.663 8.663 8.583 0.080 18082 943 1 3 . 1 1 43 43 PRO HA H 43 4.742 4.742 4.598 0.144 18082 944 1 3 . 1 1 43 43 PRO CA C 43 62.393 62.393 62.458 -0.065 18082 945 1 3 . 1 1 43 43 PRO CB C 43 31.969 31.969 32.849 -0.880 18082 946 1 3 . 1 1 44 44 THR N N 44 112.768 112.768 112.944 -0.176 18082 947 1 3 . 1 1 44 44 THR HA H 44 4.723 4.723 4.426 0.297 18082 948 1 3 . 1 1 44 44 THR CA C 44 60.656 60.656 60.844 -0.188 18082 949 1 3 . 1 1 44 44 THR CB C 44 71.220 71.220 70.931 0.289 18082 950 1 3 . 1 1 44 44 THR H H 44 8.790 8.790 8.981 -0.191 18082 951 1 3 . 1 1 45 45 GLU N N 45 120.454 120.454 123.306 -2.852 18082 952 1 3 . 1 1 45 45 GLU HA H 45 3.970 3.970 3.905 0.065 18082 953 1 3 . 1 1 45 45 GLU CA C 45 60.178 60.178 61.020 -0.842 18082 954 1 3 . 1 1 45 45 GLU CB C 45 29.056 29.056 28.924 0.132 18082 955 1 3 . 1 1 45 45 GLU H H 45 8.771 8.771 9.039 -0.268 18082 956 1 3 . 1 1 46 46 ALA N N 46 120.779 120.779 121.602 -0.823 18082 957 1 3 . 1 1 46 46 ALA HA H 46 4.105 4.105 4.117 -0.012 18082 958 1 3 . 1 1 46 46 ALA CA C 46 55.119 55.119 55.098 0.021 18082 959 1 3 . 1 1 46 46 ALA CB C 46 18.275 18.275 18.124 0.151 18082 960 1 3 . 1 1 46 46 ALA H H 46 8.187 8.187 8.389 -0.202 18082 961 1 3 . 1 1 47 47 GLU N N 47 118.876 118.876 119.236 -0.360 18082 962 1 3 . 1 1 47 47 GLU HA H 47 3.988 3.988 4.019 -0.031 18082 963 1 3 . 1 1 47 47 GLU CA C 47 59.179 59.179 59.009 0.170 18082 964 1 3 . 1 1 47 47 GLU CB C 47 29.871 29.871 29.585 0.286 18082 965 1 3 . 1 1 47 47 GLU H H 47 7.628 7.628 7.555 0.073 18082 966 1 3 . 1 1 48 48 LEU N N 48 119.668 119.668 121.238 -1.570 18082 967 1 3 . 1 1 48 48 LEU HA H 48 3.952 3.952 4.043 -0.091 18082 968 1 3 . 1 1 48 48 LEU CA C 48 57.831 57.831 58.112 -0.281 18082 969 1 3 . 1 1 48 48 LEU CB C 48 42.435 42.435 42.017 0.418 18082 970 1 3 . 1 1 48 48 LEU H H 48 8.104 8.104 8.272 -0.168 18082 971 1 3 . 1 1 49 49 GLN N N 49 118.133 118.133 118.801 -0.668 18082 972 1 3 . 1 1 49 49 GLN HA H 49 3.851 3.851 3.915 -0.064 18082 973 1 3 . 1 1 49 49 GLN CA C 49 58.616 58.616 59.361 -0.745 18082 974 1 3 . 1 1 49 49 GLN CB C 49 28.202 28.202 28.568 -0.366 18082 975 1 3 . 1 1 49 49 GLN H H 49 8.168 8.168 8.518 -0.350 18082 976 1 3 . 1 1 50 50 ASP N N 50 120.259 120.259 120.288 -0.029 18082 977 1 3 . 1 1 50 50 ASP HA H 50 4.459 4.459 4.349 0.110 18082 978 1 3 . 1 1 50 50 ASP CA C 50 57.787 57.787 57.178 0.609 18082 979 1 3 . 1 1 50 50 ASP CB C 50 40.475 40.475 40.764 -0.289 18082 980 1 3 . 1 1 50 50 ASP H H 50 8.053 8.053 8.361 -0.308 18082 981 1 3 . 1 1 51 51 MET N N 51 119.290 119.290 118.112 1.178 18082 982 1 3 . 1 1 51 51 MET HA H 51 4.095 4.095 4.207 -0.112 18082 983 1 3 . 1 1 51 51 MET CA C 51 60.031 60.031 57.845 2.186 18082 984 1 3 . 1 1 51 51 MET CB C 51 33.629 33.629 32.295 1.334 18082 985 1 3 . 1 1 51 51 MET H H 51 7.948 7.948 7.664 0.284 18082 986 1 3 . 1 1 52 52 ILE N N 52 119.018 119.018 118.100 0.918 18082 987 1 3 . 1 1 52 52 ILE HA H 52 3.942 3.942 3.794 0.148 18082 988 1 3 . 1 1 52 52 ILE CA C 52 63.568 63.568 62.605 0.963 18082 989 1 3 . 1 1 52 52 ILE CB C 52 36.623 36.623 38.215 -1.592 18082 990 1 3 . 1 1 52 52 ILE H H 52 7.793 7.793 7.811 -0.018 18082 991 1 3 . 1 1 53 53 ASN N N 53 118.406 118.406 118.972 -0.566 18082 992 1 3 . 1 1 53 53 ASN HA H 53 4.427 4.427 4.490 -0.063 18082 993 1 3 . 1 1 53 53 ASN CA C 53 56.145 56.145 55.506 0.639 18082 994 1 3 . 1 1 53 53 ASN CB C 53 38.100 38.100 38.892 -0.791 18082 995 1 3 . 1 1 53 53 ASN H H 53 8.853 8.853 7.967 0.886 18082 996 1 3 . 1 1 54 54 GLU N N 54 116.393 116.393 117.393 -1.000 18082 997 1 3 . 1 1 54 54 GLU HA H 54 4.064 4.064 4.243 -0.179 18082 998 1 3 . 1 1 54 54 GLU CA C 54 59.025 59.025 57.999 1.026 18082 999 1 3 . 1 1 54 54 GLU CB C 54 30.347 30.347 29.648 0.699 18082 1000 1 3 . 1 1 54 54 GLU H H 54 7.723 7.723 7.685 0.038 18082 1001 1 3 . 1 1 55 55 VAL N N 55 112.052 112.052 117.200 -5.148 18082 1002 1 3 . 1 1 55 55 VAL HA H 55 4.206 4.206 4.217 -0.011 18082 1003 1 3 . 1 1 55 55 VAL CA C 55 60.952 60.952 62.903 -1.951 18082 1004 1 3 . 1 1 55 55 VAL CB C 55 33.117 33.117 34.120 -1.003 18082 1005 1 3 . 1 1 55 55 VAL H H 55 7.154 7.154 7.120 0.034 18082 1006 1 3 . 1 1 56 56 ASP N N 56 121.462 121.462 121.174 0.288 18082 1007 1 3 . 1 1 56 56 ASP HA H 56 4.483 4.483 4.617 -0.134 18082 1008 1 3 . 1 1 56 56 ASP CA C 56 53.871 53.871 53.952 -0.081 18082 1009 1 3 . 1 1 56 56 ASP CB C 56 40.414 40.414 41.337 -0.923 18082 1010 1 3 . 1 1 56 56 ASP H H 56 7.652 7.652 8.185 -0.533 18082 1011 1 3 . 1 1 57 57 ALA N N 57 131.294 131.294 129.772 1.522 18082 1012 1 3 . 1 1 57 57 ALA HA H 57 4.216 4.216 4.173 0.043 18082 1013 1 3 . 1 1 57 57 ALA CA C 57 54.533 54.533 53.723 0.810 18082 1014 1 3 . 1 1 57 57 ALA CB C 57 19.810 19.810 19.164 0.646 18082 1015 1 3 . 1 1 57 57 ALA H H 57 8.067 8.067 8.214 -0.147 18082 1016 1 3 . 1 1 58 58 ASP N N 58 113.873 113.873 117.246 -3.373 18082 1017 1 3 . 1 1 58 58 ASP HA H 58 4.652 4.652 4.423 0.229 18082 1018 1 3 . 1 1 58 58 ASP CA C 58 52.885 52.885 54.273 -1.388 18082 1019 1 3 . 1 1 58 58 ASP CB C 58 39.916 39.916 40.847 -0.931 18082 1020 1 3 . 1 1 58 58 ASP H H 58 8.236 8.236 8.105 0.131 18082 1021 1 3 . 1 1 59 59 GLY N N 59 108.338 108.338 108.744 -0.406 18082 1022 1 3 . 1 1 59 59 GLY CA C 59 47.252 47.252 45.032 2.220 18082 1023 1 3 . 1 1 59 59 GLY H H 59 7.574 7.574 8.608 -1.034 18082 1024 1 3 . 1 1 60 60 ASN N N 60 118.885 118.885 117.354 1.531 18082 1025 1 3 . 1 1 60 60 ASN HA H 60 4.628 4.628 4.853 -0.225 18082 1026 1 3 . 1 1 60 60 ASN CA C 60 52.889 52.889 52.015 0.874 18082 1027 1 3 . 1 1 60 60 ASN CB C 60 37.683 37.683 39.262 -1.579 18082 1028 1 3 . 1 1 60 60 ASN H H 60 8.167 8.167 9.033 -0.866 18082 1029 1 3 . 1 1 61 61 GLY N N 61 113.590 113.590 109.882 3.708 18082 1030 1 3 . 1 1 61 61 GLY CA C 61 45.648 45.648 46.305 -0.657 18082 1031 1 3 . 1 1 61 61 GLY H H 61 10.620 10.620 8.811 1.809 18082 1032 1 3 . 1 1 62 62 THR N N 62 108.235 108.235 114.764 -6.529 18082 1033 1 3 . 1 1 62 62 THR HA H 62 4.822 4.822 5.151 -0.329 18082 1034 1 3 . 1 1 62 62 THR CA C 62 59.531 59.531 61.530 -1.999 18082 1035 1 3 . 1 1 62 62 THR CB C 62 72.479 72.479 71.924 0.555 18082 1036 1 3 . 1 1 62 62 THR H H 62 7.671 7.671 8.184 -0.513 18082 1037 1 3 . 1 1 63 63 ILE N N 63 124.438 124.438 127.029 -2.591 18082 1038 1 3 . 1 1 63 63 ILE HA H 63 5.357 5.357 4.691 0.666 18082 1039 1 3 . 1 1 63 63 ILE CA C 63 58.123 58.123 60.320 -2.197 18082 1040 1 3 . 1 1 63 63 ILE CB C 63 38.406 38.406 40.456 -2.050 18082 1041 1 3 . 1 1 63 63 ILE H H 63 8.816 8.816 8.668 0.148 18082 1042 1 3 . 1 1 64 64 ASP N N 64 128.393 128.393 128.054 0.339 18082 1043 1 3 . 1 1 64 64 ASP HA H 64 5.455 5.455 4.573 0.882 18082 1044 1 3 . 1 1 64 64 ASP CA C 64 51.924 51.924 52.617 -0.693 18082 1045 1 3 . 1 1 64 64 ASP CB C 64 42.237 42.237 43.420 -1.183 18082 1046 1 3 . 1 1 64 64 ASP H H 64 8.811 8.811 9.237 -0.426 18082 1047 1 3 . 1 1 65 65 PHE N N 65 118.159 118.159 119.633 -1.474 18082 1048 1 3 . 1 1 65 65 PHE HA H 65 3.993 3.993 4.368 -0.375 18082 1049 1 3 . 1 1 65 65 PHE CA C 65 63.050 63.050 62.778 0.272 18082 1050 1 3 . 1 1 65 65 PHE CB C 65 35.932 35.932 35.894 0.038 18082 1051 1 3 . 1 1 65 65 PHE H H 65 8.926 8.926 8.235 0.691 18082 1052 1 3 . 1 1 66 66 PRO HA H 66 3.827 3.827 4.214 -0.387 18082 1053 1 3 . 1 1 66 66 PRO CA C 66 66.950 66.950 66.354 0.596 18082 1054 1 3 . 1 1 66 66 PRO CB C 66 30.758 30.758 31.116 -0.358 18082 1055 1 3 . 1 1 67 67 GLU N N 67 117.916 117.916 119.175 -1.259 18082 1056 1 3 . 1 1 67 67 GLU HA H 67 3.988 3.988 4.116 -0.128 18082 1057 1 3 . 1 1 67 67 GLU CA C 67 59.100 59.100 59.467 -0.367 18082 1058 1 3 . 1 1 67 67 GLU CB C 67 29.855 29.855 29.202 0.653 18082 1059 1 3 . 1 1 67 67 GLU H H 67 8.267 8.267 7.555 0.712 18082 1060 1 3 . 1 1 68 68 PHE N N 68 123.365 123.365 121.734 1.631 18082 1061 1 3 . 1 1 68 68 PHE HA H 68 3.632 3.632 4.209 -0.577 18082 1062 1 3 . 1 1 68 68 PHE CA C 68 61.413 61.413 61.823 -0.410 18082 1063 1 3 . 1 1 68 68 PHE CB C 68 40.628 40.628 39.609 1.019 18082 1064 1 3 . 1 1 68 68 PHE H H 68 8.631 8.631 8.435 0.196 18082 1065 1 3 . 1 1 69 69 LEU N N 69 120.250 120.250 118.270 1.980 18082 1066 1 3 . 1 1 69 69 LEU HA H 69 3.304 3.304 3.753 -0.449 18082 1067 1 3 . 1 1 69 69 LEU CA C 69 57.940 57.940 57.724 0.216 18082 1068 1 3 . 1 1 69 69 LEU CB C 69 41.342 41.342 41.598 -0.256 18082 1069 1 3 . 1 1 69 69 LEU H H 69 9.006 9.006 8.461 0.545 18082 1070 1 3 . 1 1 70 70 THR N N 70 114.585 114.585 113.338 1.247 18082 1071 1 3 . 1 1 70 70 THR HA H 70 3.640 3.640 4.090 -0.450 18082 1072 1 3 . 1 1 70 70 THR CA C 70 66.819 66.819 65.723 1.096 18082 1073 1 3 . 1 1 70 70 THR CB C 70 68.615 68.615 69.014 -0.399 18082 1074 1 3 . 1 1 70 70 THR H H 70 7.671 7.671 7.484 0.187 18082 1075 1 3 . 1 1 71 71 MET N N 71 120.319 120.319 121.488 -1.169 18082 1076 1 3 . 1 1 71 71 MET HA H 71 3.825 3.825 4.058 -0.233 18082 1077 1 3 . 1 1 71 71 MET CA C 71 58.513 58.513 58.875 -0.362 18082 1078 1 3 . 1 1 71 71 MET CB C 71 30.796 30.796 32.744 -1.948 18082 1079 1 3 . 1 1 71 71 MET H H 71 7.095 7.095 7.849 -0.754 18082 1080 1 3 . 1 1 72 72 MET N N 72 118.715 118.715 117.272 1.443 18082 1081 1 3 . 1 1 72 72 MET HA H 72 3.802 3.802 4.144 -0.342 18082 1082 1 3 . 1 1 72 72 MET CA C 72 56.247 56.247 55.745 0.502 18082 1083 1 3 . 1 1 72 72 MET CB C 72 30.368 30.368 31.156 -0.788 18082 1084 1 3 . 1 1 72 72 MET H H 72 8.004 8.004 7.733 0.271 18082 1085 1 3 . 1 1 73 73 ALA N N 73 121.244 121.244 119.570 1.674 18082 1086 1 3 . 1 1 73 73 ALA HA H 73 4.028 4.028 4.419 -0.391 18082 1087 1 3 . 1 1 73 73 ALA CA C 73 54.594 54.594 51.992 2.602 18082 1088 1 3 . 1 1 73 73 ALA CB C 73 18.233 18.233 20.085 -1.852 18082 1089 1 3 . 1 1 73 73 ALA H H 73 8.298 8.298 7.354 0.944 18082 1090 1 3 . 1 1 74 74 ARG N N 74 116.638 116.638 121.214 -4.576 18082 1091 1 3 . 1 1 74 74 ARG HA H 74 4.086 4.086 4.336 -0.250 18082 1092 1 3 . 1 1 74 74 ARG CA C 74 58.442 58.442 54.762 3.680 18082 1093 1 3 . 1 1 74 74 ARG CB C 74 30.239 30.239 28.356 1.883 18082 1094 1 3 . 1 1 74 74 ARG H H 74 7.378 7.378 7.461 -0.083 18082 1095 1 3 . 1 1 75 75 LYS N N 75 118.910 118.910 120.724 -1.814 18082 1096 1 3 . 1 1 75 75 LYS HA H 75 4.208 4.208 4.312 -0.104 18082 1097 1 3 . 1 1 75 75 LYS CA C 75 57.508 57.508 56.258 1.250 18082 1098 1 3 . 1 1 75 75 LYS CB C 75 32.532 32.532 32.829 -0.297 18082 1099 1 3 . 1 1 75 75 LYS H H 75 7.779 7.779 7.768 0.011 18082 1100 1 3 . 1 1 76 76 MET N N 76 117.825 117.825 123.503 -5.678 18082 1101 1 3 . 1 1 76 76 MET HA H 76 4.353 4.353 4.514 -0.161 18082 1102 1 3 . 1 1 76 76 MET CA C 76 56.880 56.880 55.216 1.664 18082 1103 1 3 . 1 1 76 76 MET CB C 76 32.784 32.784 33.722 -0.938 18082 1104 1 3 . 1 1 76 76 MET H H 76 7.789 7.789 8.434 -0.645 18082 1105 1 3 . 1 1 77 77 LYS N N 77 119.283 119.283 118.852 0.431 18082 1106 1 3 . 1 1 77 77 LYS HA H 77 4.355 4.355 4.414 -0.059 18082 1107 1 3 . 1 1 77 77 LYS CA C 77 56.490 56.490 56.102 0.388 18082 1108 1 3 . 1 1 77 77 LYS CB C 77 33.115 33.115 32.800 0.316 18082 1109 1 3 . 1 1 77 77 LYS H H 77 7.711 7.711 8.344 -0.633 18082 1110 1 3 . 1 1 78 78 ASP N N 78 121.107 121.107 120.532 0.575 18082 1111 1 3 . 1 1 78 78 ASP HA H 78 4.695 4.695 4.631 0.064 18082 1112 1 3 . 1 1 78 78 ASP CA C 78 54.680 54.680 54.389 0.291 18082 1113 1 3 . 1 1 78 78 ASP CB C 78 41.207 41.207 41.423 -0.216 18082 1114 1 3 . 1 1 78 78 ASP H H 78 8.089 8.089 7.858 0.231 18082 1115 1 3 . 1 1 79 79 THR N N 79 112.761 112.761 118.874 -6.113 18082 1116 1 3 . 1 1 79 79 THR HA H 79 4.390 4.390 4.532 -0.142 18082 1117 1 3 . 1 1 79 79 THR CA C 79 61.469 61.469 61.576 -0.107 18082 1118 1 3 . 1 1 79 79 THR CB C 79 70.178 70.178 68.809 1.369 18082 1119 1 3 . 1 1 79 79 THR H H 79 7.935 7.935 8.322 -0.387 18082 1120 1 4 . 1 1 2 2 ASP N N 2 117.390 117.390 120.519 -3.129 18082 1121 1 4 . 1 1 2 2 ASP HA H 2 4.521 4.521 4.722 -0.201 18082 1122 1 4 . 1 1 2 2 ASP CA C 2 55.014 55.014 54.629 0.385 18082 1123 1 4 . 1 1 2 2 ASP CB C 2 40.955 40.955 39.973 0.982 18082 1124 1 4 . 1 1 2 2 ASP H H 2 8.039 8.039 8.488 -0.449 18082 1125 1 4 . 1 1 3 3 GLN N N 3 118.072 118.072 120.837 -2.765 18082 1126 1 4 . 1 1 3 3 GLN HA H 3 4.357 4.357 4.407 -0.050 18082 1127 1 4 . 1 1 3 3 GLN CA C 3 55.636 55.636 57.126 -1.490 18082 1128 1 4 . 1 1 3 3 GLN CB C 3 29.695 29.695 29.817 -0.122 18082 1129 1 4 . 1 1 3 3 GLN H H 3 7.949 7.949 8.193 -0.244 18082 1130 1 4 . 1 1 4 4 LEU N N 4 121.793 121.793 122.492 -0.699 18082 1131 1 4 . 1 1 4 4 LEU HA H 4 4.692 4.692 4.527 0.165 18082 1132 1 4 . 1 1 4 4 LEU CA C 4 54.358 54.358 54.357 0.001 18082 1133 1 4 . 1 1 4 4 LEU CB C 4 43.712 43.712 40.731 2.981 18082 1134 1 4 . 1 1 4 4 LEU H H 4 7.841 7.841 8.266 -0.425 18082 1135 1 4 . 1 1 5 5 THR N N 5 112.587 112.587 115.335 -2.748 18082 1136 1 4 . 1 1 5 5 THR HA H 5 4.772 4.772 4.237 0.535 18082 1137 1 4 . 1 1 5 5 THR CA C 5 60.388 60.388 62.761 -2.373 18082 1138 1 4 . 1 1 5 5 THR CB C 5 71.243 71.243 69.751 1.492 18082 1139 1 4 . 1 1 5 5 THR H H 5 8.625 8.625 7.783 0.842 18082 1140 1 4 . 1 1 6 6 GLU N N 6 120.574 120.574 119.307 1.267 18082 1141 1 4 . 1 1 6 6 GLU HA H 6 3.976 3.976 4.202 -0.226 18082 1142 1 4 . 1 1 6 6 GLU CA C 6 60.180 60.180 57.229 2.951 18082 1143 1 4 . 1 1 6 6 GLU CB C 6 29.285 29.285 28.929 0.356 18082 1144 1 4 . 1 1 6 6 GLU H H 6 8.995 8.995 8.818 0.177 18082 1145 1 4 . 1 1 7 7 GLU N N 7 119.338 119.338 118.312 1.026 18082 1146 1 4 . 1 1 7 7 GLU HA H 7 4.063 4.063 4.331 -0.268 18082 1147 1 4 . 1 1 7 7 GLU CA C 7 60.062 60.062 57.371 2.691 18082 1148 1 4 . 1 1 7 7 GLU CB C 7 29.198 29.198 29.661 -0.463 18082 1149 1 4 . 1 1 7 7 GLU H H 7 8.678 8.678 8.245 0.433 18082 1150 1 4 . 1 1 8 8 GLN N N 8 120.308 120.308 118.425 1.883 18082 1151 1 4 . 1 1 8 8 GLN HA H 8 3.874 3.874 4.176 -0.302 18082 1152 1 4 . 1 1 8 8 GLN CA C 8 58.626 58.626 57.139 1.487 18082 1153 1 4 . 1 1 8 8 GLN CB C 8 29.201 29.201 29.215 -0.014 18082 1154 1 4 . 1 1 8 8 GLN H H 8 7.684 7.684 8.189 -0.505 18082 1155 1 4 . 1 1 9 9 ILE N N 9 119.371 119.371 120.394 -1.023 18082 1156 1 4 . 1 1 9 9 ILE HA H 9 3.675 3.675 3.995 -0.320 18082 1157 1 4 . 1 1 9 9 ILE CA C 9 66.241 66.241 64.748 1.493 18082 1158 1 4 . 1 1 9 9 ILE CB C 9 37.702 37.702 37.493 0.209 18082 1159 1 4 . 1 1 9 9 ILE H H 9 8.339 8.339 7.731 0.608 18082 1160 1 4 . 1 1 10 10 ALA N N 10 121.339 121.339 120.308 1.031 18082 1161 1 4 . 1 1 10 10 ALA HA H 10 4.118 4.118 4.040 0.078 18082 1162 1 4 . 1 1 10 10 ALA CA C 10 55.648 55.648 55.084 0.564 18082 1163 1 4 . 1 1 10 10 ALA CB C 10 17.908 17.908 18.127 -0.219 18082 1164 1 4 . 1 1 10 10 ALA H H 10 8.048 8.048 8.324 -0.276 18082 1165 1 4 . 1 1 11 11 GLU N N 11 119.886 119.886 118.199 1.687 18082 1166 1 4 . 1 1 11 11 GLU HA H 11 4.187 4.187 4.195 -0.008 18082 1167 1 4 . 1 1 11 11 GLU CA C 11 59.577 59.577 58.234 1.343 18082 1168 1 4 . 1 1 11 11 GLU CB C 11 29.306 29.306 29.465 -0.159 18082 1169 1 4 . 1 1 11 11 GLU H H 11 7.792 7.792 7.701 0.091 18082 1170 1 4 . 1 1 12 12 PHE N N 12 119.957 119.957 119.514 0.443 18082 1171 1 4 . 1 1 12 12 PHE HA H 12 5.011 5.011 4.504 0.507 18082 1172 1 4 . 1 1 12 12 PHE CA C 12 59.173 59.173 59.987 -0.814 18082 1173 1 4 . 1 1 12 12 PHE CB C 12 37.617 37.617 38.795 -1.178 18082 1174 1 4 . 1 1 12 12 PHE H H 12 8.527 8.527 7.461 1.066 18082 1175 1 4 . 1 1 13 13 LYS N N 13 123.937 123.937 118.692 5.245 18082 1176 1 4 . 1 1 13 13 LYS HA H 13 4.015 4.015 4.372 -0.357 18082 1177 1 4 . 1 1 13 13 LYS CA C 13 60.169 60.169 59.668 0.501 18082 1178 1 4 . 1 1 13 13 LYS CB C 13 31.986 31.986 32.216 -0.230 18082 1179 1 4 . 1 1 13 13 LYS H H 13 9.246 9.246 8.487 0.759 18082 1180 1 4 . 1 1 14 14 GLU N N 14 120.885 120.885 119.869 1.016 18082 1181 1 4 . 1 1 14 14 GLU HA H 14 4.130 4.130 4.099 0.031 18082 1182 1 4 . 1 1 14 14 GLU CA C 14 59.653 59.653 59.202 0.451 18082 1183 1 4 . 1 1 14 14 GLU CB C 14 29.125 29.125 29.075 0.050 18082 1184 1 4 . 1 1 14 14 GLU H H 14 7.956 7.956 7.920 0.036 18082 1185 1 4 . 1 1 15 15 ALA N N 15 121.878 121.878 121.791 0.087 18082 1186 1 4 . 1 1 15 15 ALA HA H 15 4.257 4.257 3.976 0.281 18082 1187 1 4 . 1 1 15 15 ALA CA C 15 55.565 55.565 54.989 0.576 18082 1188 1 4 . 1 1 15 15 ALA CB C 15 18.237 18.237 17.770 0.467 18082 1189 1 4 . 1 1 15 15 ALA H H 15 8.129 8.129 7.514 0.615 18082 1190 1 4 . 1 1 16 16 PHE N N 16 118.993 118.993 112.804 6.189 18082 1191 1 4 . 1 1 16 16 PHE HA H 16 3.326 3.326 4.246 -0.920 18082 1192 1 4 . 1 1 16 16 PHE CA C 16 62.270 62.270 59.608 2.662 18082 1193 1 4 . 1 1 16 16 PHE CB C 16 39.695 39.695 38.156 1.539 18082 1194 1 4 . 1 1 16 16 PHE H H 16 8.800 8.800 7.386 1.414 18082 1195 1 4 . 1 1 17 17 SER N N 17 113.609 113.609 114.878 -1.269 18082 1196 1 4 . 1 1 17 17 SER HA H 17 4.166 4.166 4.627 -0.461 18082 1197 1 4 . 1 1 17 17 SER CA C 17 61.564 61.564 60.245 1.319 18082 1198 1 4 . 1 1 17 17 SER CB C 17 63.457 63.457 65.163 -1.706 18082 1199 1 4 . 1 1 17 17 SER H H 17 8.062 8.062 7.691 0.371 18082 1200 1 4 . 1 1 18 18 LEU N N 18 120.325 120.325 121.108 -0.783 18082 1201 1 4 . 1 1 18 18 LEU HA H 18 4.005 4.005 4.424 -0.419 18082 1202 1 4 . 1 1 18 18 LEU CA C 18 57.028 57.028 56.350 0.678 18082 1203 1 4 . 1 1 18 18 LEU CB C 18 41.523 41.523 42.589 -1.066 18082 1204 1 4 . 1 1 18 18 LEU H H 18 7.452 7.452 8.499 -1.047 18082 1205 1 4 . 1 1 19 19 PHE N N 19 113.738 113.738 121.008 -7.270 18082 1206 1 4 . 1 1 19 19 PHE HA H 19 4.245 4.245 4.370 -0.125 18082 1207 1 4 . 1 1 19 19 PHE CA C 19 59.530 59.530 59.842 -0.312 18082 1208 1 4 . 1 1 19 19 PHE CB C 19 41.928 41.928 40.104 1.824 18082 1209 1 4 . 1 1 19 19 PHE H H 19 7.187 7.187 8.258 -1.071 18082 1210 1 4 . 1 1 20 20 ASP N N 20 116.566 116.566 117.484 -0.918 18082 1211 1 4 . 1 1 20 20 ASP HA H 20 4.565 4.565 4.583 -0.018 18082 1212 1 4 . 1 1 20 20 ASP CA C 20 52.488 52.488 54.777 -2.289 18082 1213 1 4 . 1 1 20 20 ASP CB C 20 39.280 39.280 42.202 -2.922 18082 1214 1 4 . 1 1 20 20 ASP H H 20 7.733 7.733 7.798 -0.065 18082 1215 1 4 . 1 1 21 21 LYS N N 21 124.387 124.387 122.181 2.206 18082 1216 1 4 . 1 1 21 21 LYS HA H 21 3.987 3.987 4.423 -0.436 18082 1217 1 4 . 1 1 21 21 LYS CA C 21 58.353 58.353 56.520 1.833 18082 1218 1 4 . 1 1 21 21 LYS CB C 21 32.514 32.514 33.510 -0.996 18082 1219 1 4 . 1 1 21 21 LYS H H 21 7.668 7.668 8.421 -0.753 18082 1220 1 4 . 1 1 22 22 ASP N N 22 114.142 114.142 119.015 -4.873 18082 1221 1 4 . 1 1 22 22 ASP HA H 22 4.594 4.594 4.564 0.030 18082 1222 1 4 . 1 1 22 22 ASP CA C 22 52.934 52.934 55.013 -2.079 18082 1223 1 4 . 1 1 22 22 ASP CB C 22 39.645 39.645 41.370 -1.725 18082 1224 1 4 . 1 1 22 22 ASP H H 22 8.135 8.135 8.288 -0.153 18082 1225 1 4 . 1 1 23 23 GLY N N 23 109.286 109.286 108.270 1.016 18082 1226 1 4 . 1 1 23 23 GLY CA C 23 47.308 47.308 45.032 2.276 18082 1227 1 4 . 1 1 23 23 GLY H H 23 7.683 7.683 8.939 -1.256 18082 1228 1 4 . 1 1 24 24 ASP N N 24 120.949 120.949 120.976 -0.027 18082 1229 1 4 . 1 1 24 24 ASP HA H 24 4.525 4.525 4.493 0.032 18082 1230 1 4 . 1 1 24 24 ASP CA C 24 53.891 53.891 54.051 -0.160 18082 1231 1 4 . 1 1 24 24 ASP CB C 24 40.513 40.513 40.884 -0.371 18082 1232 1 4 . 1 1 24 24 ASP H H 24 8.477 8.477 7.887 0.590 18082 1233 1 4 . 1 1 25 25 GLY N N 25 112.905 112.905 109.422 3.483 18082 1234 1 4 . 1 1 25 25 GLY CA C 25 45.496 45.496 45.461 0.035 18082 1235 1 4 . 1 1 25 25 GLY H H 25 10.567 10.567 8.274 2.293 18082 1236 1 4 . 1 1 26 26 THR N N 26 112.165 112.165 110.657 1.508 18082 1237 1 4 . 1 1 26 26 THR HA H 26 5.421 5.421 5.215 0.206 18082 1238 1 4 . 1 1 26 26 THR CA C 26 59.692 59.692 59.930 -0.238 18082 1239 1 4 . 1 1 26 26 THR CB C 26 72.792 72.792 72.223 0.569 18082 1240 1 4 . 1 1 26 26 THR H H 26 8.238 8.238 8.463 -0.225 18082 1241 1 4 . 1 1 27 27 ILE N N 27 126.801 126.801 125.441 1.360 18082 1242 1 4 . 1 1 27 27 ILE HA H 27 4.846 4.846 4.304 0.542 18082 1243 1 4 . 1 1 27 27 ILE CA C 27 61.302 61.302 61.643 -0.341 18082 1244 1 4 . 1 1 27 27 ILE CB C 27 40.312 40.312 37.103 3.209 18082 1245 1 4 . 1 1 27 27 ILE H H 27 9.970 9.970 8.470 1.500 18082 1246 1 4 . 1 1 28 28 THR N N 28 116.315 116.315 118.633 -2.318 18082 1247 1 4 . 1 1 28 28 THR HA H 28 4.921 4.921 5.271 -0.350 18082 1248 1 4 . 1 1 28 28 THR CA C 28 59.359 59.359 59.365 -0.006 18082 1249 1 4 . 1 1 28 28 THR CB C 28 72.614 72.614 72.070 0.544 18082 1250 1 4 . 1 1 28 28 THR H H 28 8.356 8.356 9.214 -0.858 18082 1251 1 4 . 1 1 29 29 THR N N 29 113.124 113.124 114.234 -1.110 18082 1252 1 4 . 1 1 29 29 THR HA H 29 3.748 3.748 3.991 -0.243 18082 1253 1 4 . 1 1 29 29 THR CA C 29 66.445 66.445 66.330 0.115 18082 1254 1 4 . 1 1 29 29 THR CB C 29 68.069 68.069 68.053 0.016 18082 1255 1 4 . 1 1 29 29 THR H H 29 9.115 9.115 8.739 0.376 18082 1256 1 4 . 1 1 30 30 LYS N N 30 120.485 120.485 122.060 -1.575 18082 1257 1 4 . 1 1 30 30 LYS HA H 30 4.106 4.106 3.972 0.134 18082 1258 1 4 . 1 1 30 30 LYS CA C 30 59.216 59.216 59.612 -0.396 18082 1259 1 4 . 1 1 30 30 LYS CB C 30 32.546 32.546 32.376 0.171 18082 1260 1 4 . 1 1 30 30 LYS H H 30 7.639 7.639 7.546 0.093 18082 1261 1 4 . 1 1 31 31 GLU N N 31 121.786 121.786 119.042 2.744 18082 1262 1 4 . 1 1 31 31 GLU HA H 31 4.003 4.003 3.951 0.052 18082 1263 1 4 . 1 1 31 31 GLU CA C 31 59.642 59.642 58.472 1.170 18082 1264 1 4 . 1 1 31 31 GLU CB C 31 29.605 29.605 29.134 0.471 18082 1265 1 4 . 1 1 31 31 GLU H H 31 7.693 7.693 8.064 -0.371 18082 1266 1 4 . 1 1 32 32 LEU N N 32 120.699 120.699 120.856 -0.157 18082 1267 1 4 . 1 1 32 32 LEU HA H 32 4.093 4.093 4.381 -0.288 18082 1268 1 4 . 1 1 32 32 LEU CA C 32 58.340 58.340 57.312 1.028 18082 1269 1 4 . 1 1 32 32 LEU CB C 32 42.173 42.173 42.079 0.094 18082 1270 1 4 . 1 1 32 32 LEU H H 32 8.585 8.585 7.503 1.082 18082 1271 1 4 . 1 1 33 33 GLY N N 33 106.061 106.061 104.795 1.266 18082 1272 1 4 . 1 1 33 33 GLY CA C 33 48.681 48.681 46.889 1.792 18082 1273 1 4 . 1 1 33 33 GLY H H 33 8.715 8.715 8.008 0.707 18082 1274 1 4 . 1 1 34 34 THR N N 34 118.195 118.195 117.203 0.992 18082 1275 1 4 . 1 1 34 34 THR HA H 34 3.929 3.929 3.887 0.042 18082 1276 1 4 . 1 1 34 34 THR CA C 34 66.961 66.961 66.097 0.864 18082 1277 1 4 . 1 1 34 34 THR CB C 34 68.764 68.764 68.532 0.232 18082 1278 1 4 . 1 1 34 34 THR H H 34 7.947 7.947 7.681 0.266 18082 1279 1 4 . 1 1 35 35 VAL N N 35 122.412 122.412 121.909 0.503 18082 1280 1 4 . 1 1 35 35 VAL HA H 35 3.609 3.609 3.748 -0.139 18082 1281 1 4 . 1 1 35 35 VAL CA C 35 66.554 66.554 65.431 1.123 18082 1282 1 4 . 1 1 35 35 VAL CB C 35 31.479 31.479 31.787 -0.308 18082 1283 1 4 . 1 1 35 35 VAL H H 35 7.760 7.760 7.332 0.428 18082 1284 1 4 . 1 1 36 36 MET N N 36 118.407 118.407 117.286 1.121 18082 1285 1 4 . 1 1 36 36 MET HA H 36 4.104 4.104 4.078 0.026 18082 1286 1 4 . 1 1 36 36 MET CA C 36 58.532 58.532 59.250 -0.718 18082 1287 1 4 . 1 1 36 36 MET CB C 36 30.782 30.782 32.333 -1.551 18082 1288 1 4 . 1 1 36 36 MET H H 36 8.583 8.583 7.416 1.167 18082 1289 1 4 . 1 1 37 37 ARG N N 37 119.070 119.070 119.678 -0.608 18082 1290 1 4 . 1 1 37 37 ARG HA H 37 4.789 4.789 4.009 0.780 18082 1291 1 4 . 1 1 37 37 ARG CA C 37 59.141 59.141 59.491 -0.350 18082 1292 1 4 . 1 1 37 37 ARG CB C 37 30.019 30.019 30.311 -0.293 18082 1293 1 4 . 1 1 37 37 ARG H H 37 8.499 8.499 8.550 -0.051 18082 1294 1 4 . 1 1 38 38 SER N N 38 118.897 118.897 114.098 4.799 18082 1295 1 4 . 1 1 38 38 SER HA H 38 4.417 4.417 4.410 0.007 18082 1296 1 4 . 1 1 38 38 SER CA C 38 61.450 61.450 60.390 1.060 18082 1297 1 4 . 1 1 38 38 SER CB C 38 62.846 62.846 63.228 -0.382 18082 1298 1 4 . 1 1 38 38 SER H H 38 7.965 7.965 7.680 0.285 18082 1299 1 4 . 1 1 39 39 LEU N N 39 120.765 120.765 121.263 -0.498 18082 1300 1 4 . 1 1 39 39 LEU HA H 39 4.489 4.489 4.609 -0.120 18082 1301 1 4 . 1 1 39 39 LEU CA C 39 54.576 54.576 55.778 -1.202 18082 1302 1 4 . 1 1 39 39 LEU CB C 39 41.963 41.963 43.633 -1.670 18082 1303 1 4 . 1 1 39 39 LEU H H 39 7.387 7.387 7.516 -0.129 18082 1304 1 4 . 1 1 40 40 GLY N N 40 107.022 107.022 105.369 1.653 18082 1305 1 4 . 1 1 40 40 GLY CA C 40 45.637 45.637 45.413 0.224 18082 1306 1 4 . 1 1 40 40 GLY H H 40 7.889 7.889 8.142 -0.253 18082 1307 1 4 . 1 1 41 41 GLN N N 41 118.231 118.231 118.152 0.079 18082 1308 1 4 . 1 1 41 41 GLN HA H 41 4.495 4.495 3.769 0.726 18082 1309 1 4 . 1 1 41 41 GLN CA C 41 54.440 54.440 56.334 -1.893 18082 1310 1 4 . 1 1 41 41 GLN CB C 41 30.703 30.703 28.418 2.285 18082 1311 1 4 . 1 1 41 41 GLN H H 41 7.747 7.747 7.776 -0.029 18082 1312 1 4 . 1 1 42 42 ASN N N 42 116.416 116.416 120.371 -3.955 18082 1313 1 4 . 1 1 42 42 ASN CA C 42 51.308 51.308 50.341 0.967 18082 1314 1 4 . 1 1 42 42 ASN CB C 42 39.272 39.272 39.875 -0.603 18082 1315 1 4 . 1 1 42 42 ASN H H 42 8.663 8.663 8.609 0.054 18082 1316 1 4 . 1 1 43 43 PRO HA H 43 4.742 4.742 4.516 0.226 18082 1317 1 4 . 1 1 43 43 PRO CA C 43 62.393 62.393 62.654 -0.261 18082 1318 1 4 . 1 1 43 43 PRO CB C 43 31.969 31.969 32.826 -0.857 18082 1319 1 4 . 1 1 44 44 THR N N 44 112.768 112.768 112.046 0.722 18082 1320 1 4 . 1 1 44 44 THR HA H 44 4.723 4.723 4.341 0.382 18082 1321 1 4 . 1 1 44 44 THR CA C 44 60.656 60.656 61.262 -0.606 18082 1322 1 4 . 1 1 44 44 THR CB C 44 71.220 71.220 70.298 0.922 18082 1323 1 4 . 1 1 44 44 THR H H 44 8.790 8.790 9.000 -0.210 18082 1324 1 4 . 1 1 45 45 GLU N N 45 120.454 120.454 121.645 -1.191 18082 1325 1 4 . 1 1 45 45 GLU HA H 45 3.970 3.970 3.985 -0.015 18082 1326 1 4 . 1 1 45 45 GLU CA C 45 60.178 60.178 59.830 0.348 18082 1327 1 4 . 1 1 45 45 GLU CB C 45 29.056 29.056 29.032 0.024 18082 1328 1 4 . 1 1 45 45 GLU H H 45 8.771 8.771 8.946 -0.175 18082 1329 1 4 . 1 1 46 46 ALA N N 46 120.779 120.779 122.094 -1.315 18082 1330 1 4 . 1 1 46 46 ALA HA H 46 4.105 4.105 4.115 -0.010 18082 1331 1 4 . 1 1 46 46 ALA CA C 46 55.119 55.119 55.016 0.103 18082 1332 1 4 . 1 1 46 46 ALA CB C 46 18.275 18.275 18.105 0.170 18082 1333 1 4 . 1 1 46 46 ALA H H 46 8.187 8.187 8.335 -0.148 18082 1334 1 4 . 1 1 47 47 GLU N N 47 118.876 118.876 118.771 0.105 18082 1335 1 4 . 1 1 47 47 GLU HA H 47 3.988 3.988 4.049 -0.061 18082 1336 1 4 . 1 1 47 47 GLU CA C 47 59.179 59.179 58.755 0.424 18082 1337 1 4 . 1 1 47 47 GLU CB C 47 29.871 29.871 29.574 0.297 18082 1338 1 4 . 1 1 47 47 GLU H H 47 7.628 7.628 7.642 -0.014 18082 1339 1 4 . 1 1 48 48 LEU N N 48 119.668 119.668 121.994 -2.326 18082 1340 1 4 . 1 1 48 48 LEU HA H 48 3.952 3.952 4.012 -0.060 18082 1341 1 4 . 1 1 48 48 LEU CA C 48 57.831 57.831 58.322 -0.491 18082 1342 1 4 . 1 1 48 48 LEU CB C 48 42.435 42.435 41.916 0.520 18082 1343 1 4 . 1 1 48 48 LEU H H 48 8.104 8.104 7.926 0.178 18082 1344 1 4 . 1 1 49 49 GLN N N 49 118.133 118.133 117.728 0.405 18082 1345 1 4 . 1 1 49 49 GLN HA H 49 3.851 3.851 3.986 -0.135 18082 1346 1 4 . 1 1 49 49 GLN CA C 49 58.616 58.616 58.935 -0.319 18082 1347 1 4 . 1 1 49 49 GLN CB C 49 28.202 28.202 28.551 -0.349 18082 1348 1 4 . 1 1 49 49 GLN H H 49 8.168 8.168 8.358 -0.190 18082 1349 1 4 . 1 1 50 50 ASP N N 50 120.259 120.259 120.457 -0.198 18082 1350 1 4 . 1 1 50 50 ASP HA H 50 4.459 4.459 4.417 0.042 18082 1351 1 4 . 1 1 50 50 ASP CA C 50 57.787 57.787 57.087 0.700 18082 1352 1 4 . 1 1 50 50 ASP CB C 50 40.475 40.475 41.111 -0.637 18082 1353 1 4 . 1 1 50 50 ASP H H 50 8.053 8.053 7.702 0.351 18082 1354 1 4 . 1 1 51 51 MET N N 51 119.290 119.290 118.951 0.339 18082 1355 1 4 . 1 1 51 51 MET HA H 51 4.095 4.095 4.144 -0.049 18082 1356 1 4 . 1 1 51 51 MET CA C 51 60.031 60.031 58.031 2.000 18082 1357 1 4 . 1 1 51 51 MET CB C 51 33.629 33.629 32.164 1.465 18082 1358 1 4 . 1 1 51 51 MET H H 51 7.948 7.948 8.075 -0.127 18082 1359 1 4 . 1 1 52 52 ILE N N 52 119.018 119.018 118.246 0.772 18082 1360 1 4 . 1 1 52 52 ILE HA H 52 3.942 3.942 3.867 0.075 18082 1361 1 4 . 1 1 52 52 ILE CA C 52 63.568 63.568 62.998 0.570 18082 1362 1 4 . 1 1 52 52 ILE CB C 52 36.623 36.623 37.841 -1.218 18082 1363 1 4 . 1 1 52 52 ILE H H 52 7.793 7.793 7.686 0.107 18082 1364 1 4 . 1 1 53 53 ASN N N 53 118.406 118.406 116.797 1.609 18082 1365 1 4 . 1 1 53 53 ASN HA H 53 4.427 4.427 4.470 -0.043 18082 1366 1 4 . 1 1 53 53 ASN CA C 53 56.145 56.145 55.523 0.622 18082 1367 1 4 . 1 1 53 53 ASN CB C 53 38.100 38.100 38.658 -0.558 18082 1368 1 4 . 1 1 53 53 ASN H H 53 8.853 8.853 7.599 1.254 18082 1369 1 4 . 1 1 54 54 GLU N N 54 116.393 116.393 117.797 -1.404 18082 1370 1 4 . 1 1 54 54 GLU HA H 54 4.064 4.064 4.192 -0.128 18082 1371 1 4 . 1 1 54 54 GLU CA C 54 59.025 59.025 58.009 1.016 18082 1372 1 4 . 1 1 54 54 GLU CB C 54 30.347 30.347 30.202 0.145 18082 1373 1 4 . 1 1 54 54 GLU H H 54 7.723 7.723 7.659 0.064 18082 1374 1 4 . 1 1 55 55 VAL N N 55 112.052 112.052 115.732 -3.680 18082 1375 1 4 . 1 1 55 55 VAL HA H 55 4.206 4.206 4.123 0.083 18082 1376 1 4 . 1 1 55 55 VAL CA C 55 60.952 60.952 62.694 -1.742 18082 1377 1 4 . 1 1 55 55 VAL CB C 55 33.117 33.117 33.584 -0.467 18082 1378 1 4 . 1 1 55 55 VAL H H 55 7.154 7.154 7.049 0.105 18082 1379 1 4 . 1 1 56 56 ASP N N 56 121.462 121.462 120.367 1.095 18082 1380 1 4 . 1 1 56 56 ASP HA H 56 4.483 4.483 4.631 -0.148 18082 1381 1 4 . 1 1 56 56 ASP CA C 56 53.871 53.871 53.959 -0.088 18082 1382 1 4 . 1 1 56 56 ASP CB C 56 40.414 40.414 41.431 -1.017 18082 1383 1 4 . 1 1 56 56 ASP H H 56 7.652 7.652 8.171 -0.519 18082 1384 1 4 . 1 1 57 57 ALA N N 57 131.294 131.294 129.192 2.102 18082 1385 1 4 . 1 1 57 57 ALA HA H 57 4.216 4.216 4.255 -0.039 18082 1386 1 4 . 1 1 57 57 ALA CA C 57 54.533 54.533 53.339 1.194 18082 1387 1 4 . 1 1 57 57 ALA CB C 57 19.810 19.810 19.334 0.476 18082 1388 1 4 . 1 1 57 57 ALA H H 57 8.067 8.067 8.256 -0.189 18082 1389 1 4 . 1 1 58 58 ASP N N 58 113.873 113.873 117.468 -3.595 18082 1390 1 4 . 1 1 58 58 ASP HA H 58 4.652 4.652 4.432 0.220 18082 1391 1 4 . 1 1 58 58 ASP CA C 58 52.885 52.885 54.305 -1.420 18082 1392 1 4 . 1 1 58 58 ASP CB C 58 39.916 39.916 40.668 -0.752 18082 1393 1 4 . 1 1 58 58 ASP H H 58 8.236 8.236 8.139 0.097 18082 1394 1 4 . 1 1 59 59 GLY N N 59 108.338 108.338 109.060 -0.722 18082 1395 1 4 . 1 1 59 59 GLY CA C 59 47.252 47.252 45.123 2.129 18082 1396 1 4 . 1 1 59 59 GLY H H 59 7.574 7.574 8.285 -0.711 18082 1397 1 4 . 1 1 60 60 ASN N N 60 118.885 118.885 116.792 2.093 18082 1398 1 4 . 1 1 60 60 ASN HA H 60 4.628 4.628 4.897 -0.269 18082 1399 1 4 . 1 1 60 60 ASN CA C 60 52.889 52.889 52.103 0.786 18082 1400 1 4 . 1 1 60 60 ASN CB C 60 37.683 37.683 39.379 -1.696 18082 1401 1 4 . 1 1 60 60 ASN H H 60 8.167 8.167 9.132 -0.965 18082 1402 1 4 . 1 1 61 61 GLY N N 61 113.590 113.590 109.591 3.999 18082 1403 1 4 . 1 1 61 61 GLY CA C 61 45.648 45.648 46.376 -0.728 18082 1404 1 4 . 1 1 61 61 GLY H H 61 10.620 10.620 8.897 1.723 18082 1405 1 4 . 1 1 62 62 THR N N 62 108.235 108.235 115.646 -7.411 18082 1406 1 4 . 1 1 62 62 THR HA H 62 4.822 4.822 4.800 0.022 18082 1407 1 4 . 1 1 62 62 THR CA C 62 59.531 59.531 61.998 -2.467 18082 1408 1 4 . 1 1 62 62 THR CB C 62 72.479 72.479 70.931 1.548 18082 1409 1 4 . 1 1 62 62 THR H H 62 7.671 7.671 8.455 -0.784 18082 1410 1 4 . 1 1 63 63 ILE N N 63 124.438 124.438 126.712 -2.274 18082 1411 1 4 . 1 1 63 63 ILE HA H 63 5.357 5.357 4.717 0.640 18082 1412 1 4 . 1 1 63 63 ILE CA C 63 58.123 58.123 60.209 -2.087 18082 1413 1 4 . 1 1 63 63 ILE CB C 63 38.406 38.406 40.483 -2.077 18082 1414 1 4 . 1 1 63 63 ILE H H 63 8.816 8.816 8.332 0.484 18082 1415 1 4 . 1 1 64 64 ASP N N 64 128.393 128.393 127.821 0.572 18082 1416 1 4 . 1 1 64 64 ASP HA H 64 5.455 5.455 5.024 0.431 18082 1417 1 4 . 1 1 64 64 ASP CA C 64 51.924 51.924 52.356 -0.432 18082 1418 1 4 . 1 1 64 64 ASP CB C 64 42.237 42.237 43.845 -1.608 18082 1419 1 4 . 1 1 64 64 ASP H H 64 8.811 8.811 9.074 -0.263 18082 1420 1 4 . 1 1 65 65 PHE N N 65 118.159 118.159 119.701 -1.542 18082 1421 1 4 . 1 1 65 65 PHE HA H 65 3.993 3.993 4.377 -0.384 18082 1422 1 4 . 1 1 65 65 PHE CA C 65 63.050 63.050 64.384 -1.334 18082 1423 1 4 . 1 1 65 65 PHE CB C 65 35.932 35.932 36.676 -0.744 18082 1424 1 4 . 1 1 65 65 PHE H H 65 8.926 8.926 8.968 -0.042 18082 1425 1 4 . 1 1 66 66 PRO HA H 66 3.827 3.827 4.155 -0.328 18082 1426 1 4 . 1 1 66 66 PRO CA C 66 66.950 66.950 66.460 0.490 18082 1427 1 4 . 1 1 66 66 PRO CB C 66 30.758 30.758 31.127 -0.369 18082 1428 1 4 . 1 1 67 67 GLU N N 67 117.916 117.916 118.787 -0.871 18082 1429 1 4 . 1 1 67 67 GLU HA H 67 3.988 3.988 4.152 -0.164 18082 1430 1 4 . 1 1 67 67 GLU CA C 67 59.100 59.100 59.691 -0.591 18082 1431 1 4 . 1 1 67 67 GLU CB C 67 29.855 29.855 29.314 0.541 18082 1432 1 4 . 1 1 67 67 GLU H H 67 8.267 8.267 8.520 -0.253 18082 1433 1 4 . 1 1 68 68 PHE N N 68 123.365 123.365 122.144 1.221 18082 1434 1 4 . 1 1 68 68 PHE HA H 68 3.632 3.632 4.134 -0.502 18082 1435 1 4 . 1 1 68 68 PHE CA C 68 61.413 61.413 61.827 -0.414 18082 1436 1 4 . 1 1 68 68 PHE CB C 68 40.628 40.628 39.345 1.283 18082 1437 1 4 . 1 1 68 68 PHE H H 68 8.631 8.631 8.805 -0.174 18082 1438 1 4 . 1 1 69 69 LEU N N 69 120.250 120.250 117.618 2.632 18082 1439 1 4 . 1 1 69 69 LEU HA H 69 3.304 3.304 3.666 -0.362 18082 1440 1 4 . 1 1 69 69 LEU CA C 69 57.940 57.940 57.581 0.359 18082 1441 1 4 . 1 1 69 69 LEU CB C 69 41.342 41.342 41.628 -0.286 18082 1442 1 4 . 1 1 69 69 LEU H H 69 9.006 9.006 8.949 0.057 18082 1443 1 4 . 1 1 70 70 THR N N 70 114.585 114.585 113.293 1.292 18082 1444 1 4 . 1 1 70 70 THR HA H 70 3.640 3.640 4.203 -0.563 18082 1445 1 4 . 1 1 70 70 THR CA C 70 66.819 66.819 64.674 2.146 18082 1446 1 4 . 1 1 70 70 THR CB C 70 68.615 68.615 69.153 -0.537 18082 1447 1 4 . 1 1 70 70 THR H H 70 7.671 7.671 7.484 0.187 18082 1448 1 4 . 1 1 71 71 MET N N 71 120.319 120.319 124.561 -4.242 18082 1449 1 4 . 1 1 71 71 MET HA H 71 3.825 3.825 4.064 -0.239 18082 1450 1 4 . 1 1 71 71 MET CA C 71 58.513 58.513 58.294 0.219 18082 1451 1 4 . 1 1 71 71 MET CB C 71 30.796 30.796 32.230 -1.434 18082 1452 1 4 . 1 1 71 71 MET H H 71 7.095 7.095 8.517 -1.422 18082 1453 1 4 . 1 1 72 72 MET N N 72 118.715 118.715 117.910 0.805 18082 1454 1 4 . 1 1 72 72 MET HA H 72 3.802 3.802 4.181 -0.379 18082 1455 1 4 . 1 1 72 72 MET CA C 72 56.247 56.247 55.098 1.149 18082 1456 1 4 . 1 1 72 72 MET CB C 72 30.368 30.368 31.364 -0.996 18082 1457 1 4 . 1 1 72 72 MET H H 72 8.004 8.004 7.789 0.215 18082 1458 1 4 . 1 1 73 73 ALA N N 73 121.244 121.244 120.346 0.898 18082 1459 1 4 . 1 1 73 73 ALA HA H 73 4.028 4.028 4.471 -0.443 18082 1460 1 4 . 1 1 73 73 ALA CA C 73 54.594 54.594 51.767 2.827 18082 1461 1 4 . 1 1 73 73 ALA CB C 73 18.233 18.233 20.131 -1.898 18082 1462 1 4 . 1 1 73 73 ALA H H 73 8.298 8.298 7.185 1.113 18082 1463 1 4 . 1 1 74 74 ARG N N 74 116.638 116.638 120.915 -4.277 18082 1464 1 4 . 1 1 74 74 ARG HA H 74 4.086 4.086 4.441 -0.355 18082 1465 1 4 . 1 1 74 74 ARG CA C 74 58.442 58.442 55.470 2.972 18082 1466 1 4 . 1 1 74 74 ARG CB C 74 30.239 30.239 29.690 0.549 18082 1467 1 4 . 1 1 74 74 ARG H H 74 7.378 7.378 7.497 -0.119 18082 1468 1 4 . 1 1 75 75 LYS N N 75 118.910 118.910 123.098 -4.188 18082 1469 1 4 . 1 1 75 75 LYS HA H 75 4.208 4.208 4.444 -0.236 18082 1470 1 4 . 1 1 75 75 LYS CA C 75 57.508 57.508 55.758 1.750 18082 1471 1 4 . 1 1 75 75 LYS CB C 75 32.532 32.532 33.309 -0.777 18082 1472 1 4 . 1 1 75 75 LYS H H 75 7.779 7.779 8.120 -0.341 18082 1473 1 4 . 1 1 76 76 MET N N 76 117.825 117.825 124.122 -6.297 18082 1474 1 4 . 1 1 76 76 MET HA H 76 4.353 4.353 4.410 -0.057 18082 1475 1 4 . 1 1 76 76 MET CA C 76 56.880 56.880 55.484 1.396 18082 1476 1 4 . 1 1 76 76 MET CB C 76 32.784 32.784 33.157 -0.373 18082 1477 1 4 . 1 1 76 76 MET H H 76 7.789 7.789 8.563 -0.774 18082 1478 1 4 . 1 1 77 77 LYS N N 77 119.283 119.283 121.728 -2.445 18082 1479 1 4 . 1 1 77 77 LYS HA H 77 4.355 4.355 4.175 0.180 18082 1480 1 4 . 1 1 77 77 LYS CA C 77 56.490 56.490 56.498 -0.008 18082 1481 1 4 . 1 1 77 77 LYS CB C 77 33.115 33.115 30.511 2.604 18082 1482 1 4 . 1 1 77 77 LYS H H 77 7.711 7.711 8.565 -0.854 18082 1483 1 4 . 1 1 78 78 ASP N N 78 121.107 121.107 121.562 -0.455 18082 1484 1 4 . 1 1 78 78 ASP HA H 78 4.695 4.695 4.818 -0.123 18082 1485 1 4 . 1 1 78 78 ASP CA C 78 54.680 54.680 53.363 1.317 18082 1486 1 4 . 1 1 78 78 ASP CB C 78 41.207 41.207 43.794 -2.587 18082 1487 1 4 . 1 1 78 78 ASP H H 78 8.089 8.089 8.285 -0.196 18082 1488 1 4 . 1 1 79 79 THR N N 79 112.761 112.761 117.703 -4.942 18082 1489 1 4 . 1 1 79 79 THR HA H 79 4.390 4.390 4.282 0.108 18082 1490 1 4 . 1 1 79 79 THR CA C 79 61.469 61.469 63.437 -1.968 18082 1491 1 4 . 1 1 79 79 THR CB C 79 70.178 70.178 68.894 1.284 18082 1492 1 4 . 1 1 79 79 THR H H 79 7.935 7.935 8.335 -0.400 18082 1493 1 5 . 1 1 2 2 ASP N N 2 117.390 117.390 117.162 0.228 18082 1494 1 5 . 1 1 2 2 ASP HA H 2 4.521 4.521 4.495 0.026 18082 1495 1 5 . 1 1 2 2 ASP CA C 2 55.014 55.014 56.046 -1.032 18082 1496 1 5 . 1 1 2 2 ASP CB C 2 40.955 40.955 41.247 -0.292 18082 1497 1 5 . 1 1 2 2 ASP H H 2 8.039 8.039 8.649 -0.610 18082 1498 1 5 . 1 1 3 3 GLN N N 3 118.072 118.072 118.225 -0.153 18082 1499 1 5 . 1 1 3 3 GLN HA H 3 4.357 4.357 4.146 0.211 18082 1500 1 5 . 1 1 3 3 GLN CA C 3 55.636 55.636 57.086 -1.450 18082 1501 1 5 . 1 1 3 3 GLN CB C 3 29.695 29.695 28.203 1.492 18082 1502 1 5 . 1 1 3 3 GLN H H 3 7.949 7.949 8.174 -0.225 18082 1503 1 5 . 1 1 4 4 LEU N N 4 121.793 121.793 121.534 0.259 18082 1504 1 5 . 1 1 4 4 LEU HA H 4 4.692 4.692 4.499 0.193 18082 1505 1 5 . 1 1 4 4 LEU CA C 4 54.358 54.358 54.512 -0.154 18082 1506 1 5 . 1 1 4 4 LEU CB C 4 43.712 43.712 40.729 2.983 18082 1507 1 5 . 1 1 4 4 LEU H H 4 7.841 7.841 7.848 -0.007 18082 1508 1 5 . 1 1 5 5 THR N N 5 112.587 112.587 115.213 -2.626 18082 1509 1 5 . 1 1 5 5 THR HA H 5 4.772 4.772 4.318 0.454 18082 1510 1 5 . 1 1 5 5 THR CA C 5 60.388 60.388 62.416 -2.027 18082 1511 1 5 . 1 1 5 5 THR CB C 5 71.243 71.243 69.871 1.372 18082 1512 1 5 . 1 1 5 5 THR H H 5 8.625 8.625 7.889 0.736 18082 1513 1 5 . 1 1 6 6 GLU N N 6 120.574 120.574 119.265 1.309 18082 1514 1 5 . 1 1 6 6 GLU HA H 6 3.976 3.976 4.117 -0.141 18082 1515 1 5 . 1 1 6 6 GLU CA C 6 60.180 60.180 57.249 2.931 18082 1516 1 5 . 1 1 6 6 GLU CB C 6 29.285 29.285 29.302 -0.017 18082 1517 1 5 . 1 1 6 6 GLU H H 6 8.995 8.995 8.725 0.270 18082 1518 1 5 . 1 1 7 7 GLU N N 7 119.338 119.338 118.204 1.134 18082 1519 1 5 . 1 1 7 7 GLU HA H 7 4.063 4.063 4.341 -0.278 18082 1520 1 5 . 1 1 7 7 GLU CA C 7 60.062 60.062 56.848 3.214 18082 1521 1 5 . 1 1 7 7 GLU CB C 7 29.198 29.198 29.165 0.033 18082 1522 1 5 . 1 1 7 7 GLU H H 7 8.678 8.678 8.080 0.598 18082 1523 1 5 . 1 1 8 8 GLN N N 8 120.308 120.308 118.914 1.394 18082 1524 1 5 . 1 1 8 8 GLN HA H 8 3.874 3.874 3.812 0.062 18082 1525 1 5 . 1 1 8 8 GLN CA C 8 58.626 58.626 58.146 0.480 18082 1526 1 5 . 1 1 8 8 GLN CB C 8 29.201 29.201 28.269 0.932 18082 1527 1 5 . 1 1 8 8 GLN H H 8 7.684 7.684 8.500 -0.816 18082 1528 1 5 . 1 1 9 9 ILE N N 9 119.371 119.371 118.631 0.740 18082 1529 1 5 . 1 1 9 9 ILE HA H 9 3.675 3.675 3.821 -0.146 18082 1530 1 5 . 1 1 9 9 ILE CA C 9 66.241 66.241 64.044 2.197 18082 1531 1 5 . 1 1 9 9 ILE CB C 9 37.702 37.702 37.637 0.065 18082 1532 1 5 . 1 1 9 9 ILE H H 9 8.339 8.339 7.528 0.811 18082 1533 1 5 . 1 1 10 10 ALA N N 10 121.339 121.339 121.134 0.205 18082 1534 1 5 . 1 1 10 10 ALA HA H 10 4.118 4.118 4.051 0.067 18082 1535 1 5 . 1 1 10 10 ALA CA C 10 55.648 55.648 55.178 0.470 18082 1536 1 5 . 1 1 10 10 ALA CB C 10 17.908 17.908 18.171 -0.263 18082 1537 1 5 . 1 1 10 10 ALA H H 10 8.048 8.048 7.461 0.587 18082 1538 1 5 . 1 1 11 11 GLU N N 11 119.886 119.886 117.556 2.330 18082 1539 1 5 . 1 1 11 11 GLU HA H 11 4.187 4.187 4.074 0.113 18082 1540 1 5 . 1 1 11 11 GLU CA C 11 59.577 59.577 58.583 0.994 18082 1541 1 5 . 1 1 11 11 GLU CB C 11 29.306 29.306 29.257 0.049 18082 1542 1 5 . 1 1 11 11 GLU H H 11 7.792 7.792 7.533 0.259 18082 1543 1 5 . 1 1 12 12 PHE N N 12 119.957 119.957 118.157 1.800 18082 1544 1 5 . 1 1 12 12 PHE HA H 12 5.011 5.011 4.360 0.651 18082 1545 1 5 . 1 1 12 12 PHE CA C 12 59.173 59.173 59.221 -0.048 18082 1546 1 5 . 1 1 12 12 PHE CB C 12 37.617 37.617 38.553 -0.936 18082 1547 1 5 . 1 1 12 12 PHE H H 12 8.527 8.527 7.009 1.518 18082 1548 1 5 . 1 1 13 13 LYS N N 13 123.937 123.937 118.332 5.605 18082 1549 1 5 . 1 1 13 13 LYS HA H 13 4.015 4.015 3.794 0.221 18082 1550 1 5 . 1 1 13 13 LYS CA C 13 60.169 60.169 59.295 0.874 18082 1551 1 5 . 1 1 13 13 LYS CB C 13 31.986 31.986 32.169 -0.183 18082 1552 1 5 . 1 1 13 13 LYS H H 13 9.246 9.246 7.443 1.803 18082 1553 1 5 . 1 1 14 14 GLU N N 14 120.885 120.885 118.786 2.099 18082 1554 1 5 . 1 1 14 14 GLU HA H 14 4.130 4.130 4.024 0.106 18082 1555 1 5 . 1 1 14 14 GLU CA C 14 59.653 59.653 58.929 0.724 18082 1556 1 5 . 1 1 14 14 GLU CB C 14 29.125 29.125 29.138 -0.013 18082 1557 1 5 . 1 1 14 14 GLU H H 14 7.956 7.956 7.541 0.415 18082 1558 1 5 . 1 1 15 15 ALA N N 15 121.878 121.878 121.562 0.316 18082 1559 1 5 . 1 1 15 15 ALA HA H 15 4.257 4.257 4.044 0.213 18082 1560 1 5 . 1 1 15 15 ALA CA C 15 55.565 55.565 55.045 0.520 18082 1561 1 5 . 1 1 15 15 ALA CB C 15 18.237 18.237 17.670 0.567 18082 1562 1 5 . 1 1 15 15 ALA H H 15 8.129 8.129 7.285 0.844 18082 1563 1 5 . 1 1 16 16 PHE N N 16 118.993 118.993 113.409 5.584 18082 1564 1 5 . 1 1 16 16 PHE HA H 16 3.326 3.326 4.174 -0.848 18082 1565 1 5 . 1 1 16 16 PHE CA C 16 62.270 62.270 58.795 3.474 18082 1566 1 5 . 1 1 16 16 PHE CB C 16 39.695 39.695 37.861 1.834 18082 1567 1 5 . 1 1 16 16 PHE H H 16 8.800 8.800 6.909 1.891 18082 1568 1 5 . 1 1 17 17 SER N N 17 113.609 113.609 114.455 -0.846 18082 1569 1 5 . 1 1 17 17 SER HA H 17 4.166 4.166 4.626 -0.460 18082 1570 1 5 . 1 1 17 17 SER CA C 17 61.564 61.564 60.198 1.366 18082 1571 1 5 . 1 1 17 17 SER CB C 17 63.457 63.457 64.777 -1.320 18082 1572 1 5 . 1 1 17 17 SER H H 17 8.062 8.062 7.579 0.483 18082 1573 1 5 . 1 1 18 18 LEU N N 18 120.325 120.325 120.964 -0.639 18082 1574 1 5 . 1 1 18 18 LEU HA H 18 4.005 4.005 4.371 -0.366 18082 1575 1 5 . 1 1 18 18 LEU CA C 18 57.028 57.028 56.558 0.470 18082 1576 1 5 . 1 1 18 18 LEU CB C 18 41.523 41.523 42.528 -1.005 18082 1577 1 5 . 1 1 18 18 LEU H H 18 7.452 7.452 8.390 -0.938 18082 1578 1 5 . 1 1 19 19 PHE N N 19 113.738 113.738 121.273 -7.535 18082 1579 1 5 . 1 1 19 19 PHE HA H 19 4.245 4.245 4.410 -0.165 18082 1580 1 5 . 1 1 19 19 PHE CA C 19 59.530 59.530 60.039 -0.509 18082 1581 1 5 . 1 1 19 19 PHE CB C 19 41.928 41.928 40.841 1.087 18082 1582 1 5 . 1 1 19 19 PHE H H 19 7.187 7.187 8.453 -1.266 18082 1583 1 5 . 1 1 20 20 ASP N N 20 116.566 116.566 118.660 -2.094 18082 1584 1 5 . 1 1 20 20 ASP HA H 20 4.565 4.565 4.522 0.043 18082 1585 1 5 . 1 1 20 20 ASP CA C 20 52.488 52.488 55.018 -2.530 18082 1586 1 5 . 1 1 20 20 ASP CB C 20 39.280 39.280 42.262 -2.982 18082 1587 1 5 . 1 1 20 20 ASP H H 20 7.733 7.733 7.647 0.086 18082 1588 1 5 . 1 1 21 21 LYS N N 21 124.387 124.387 122.306 2.081 18082 1589 1 5 . 1 1 21 21 LYS HA H 21 3.987 3.987 4.555 -0.568 18082 1590 1 5 . 1 1 21 21 LYS CA C 21 58.353 58.353 55.438 2.915 18082 1591 1 5 . 1 1 21 21 LYS CB C 21 32.514 32.514 32.898 -0.384 18082 1592 1 5 . 1 1 21 21 LYS H H 21 7.668 7.668 8.517 -0.849 18082 1593 1 5 . 1 1 22 22 ASP N N 22 114.142 114.142 118.451 -4.309 18082 1594 1 5 . 1 1 22 22 ASP HA H 22 4.594 4.594 4.738 -0.144 18082 1595 1 5 . 1 1 22 22 ASP CA C 22 52.934 52.934 54.629 -1.695 18082 1596 1 5 . 1 1 22 22 ASP CB C 22 39.645 39.645 43.630 -3.985 18082 1597 1 5 . 1 1 22 22 ASP H H 22 8.135 8.135 8.517 -0.382 18082 1598 1 5 . 1 1 23 23 GLY N N 23 109.286 109.286 108.802 0.484 18082 1599 1 5 . 1 1 23 23 GLY CA C 23 47.308 47.308 45.225 2.083 18082 1600 1 5 . 1 1 23 23 GLY H H 23 7.683 7.683 9.193 -1.510 18082 1601 1 5 . 1 1 24 24 ASP N N 24 120.949 120.949 120.768 0.181 18082 1602 1 5 . 1 1 24 24 ASP HA H 24 4.525 4.525 4.500 0.025 18082 1603 1 5 . 1 1 24 24 ASP CA C 24 53.891 53.891 54.195 -0.304 18082 1604 1 5 . 1 1 24 24 ASP CB C 24 40.513 40.513 40.620 -0.107 18082 1605 1 5 . 1 1 24 24 ASP H H 24 8.477 8.477 7.865 0.612 18082 1606 1 5 . 1 1 25 25 GLY N N 25 112.905 112.905 108.854 4.051 18082 1607 1 5 . 1 1 25 25 GLY CA C 25 45.496 45.496 45.470 0.026 18082 1608 1 5 . 1 1 25 25 GLY H H 25 10.567 10.567 8.274 2.293 18082 1609 1 5 . 1 1 26 26 THR N N 26 112.165 112.165 111.332 0.833 18082 1610 1 5 . 1 1 26 26 THR HA H 26 5.421 5.421 4.747 0.674 18082 1611 1 5 . 1 1 26 26 THR CA C 26 59.692 59.692 59.766 -0.074 18082 1612 1 5 . 1 1 26 26 THR CB C 26 72.792 72.792 72.176 0.616 18082 1613 1 5 . 1 1 26 26 THR H H 26 8.238 8.238 8.537 -0.299 18082 1614 1 5 . 1 1 27 27 ILE N N 27 126.801 126.801 124.376 2.425 18082 1615 1 5 . 1 1 27 27 ILE HA H 27 4.846 4.846 4.514 0.332 18082 1616 1 5 . 1 1 27 27 ILE CA C 27 61.302 61.302 61.260 0.042 18082 1617 1 5 . 1 1 27 27 ILE CB C 27 40.312 40.312 37.119 3.193 18082 1618 1 5 . 1 1 27 27 ILE H H 27 9.970 9.970 8.326 1.644 18082 1619 1 5 . 1 1 28 28 THR N N 28 116.315 116.315 120.799 -4.484 18082 1620 1 5 . 1 1 28 28 THR HA H 28 4.921 4.921 5.045 -0.124 18082 1621 1 5 . 1 1 28 28 THR CA C 28 59.359 59.359 59.962 -0.603 18082 1622 1 5 . 1 1 28 28 THR CB C 28 72.614 72.614 71.509 1.105 18082 1623 1 5 . 1 1 28 28 THR H H 28 8.356 8.356 8.301 0.055 18082 1624 1 5 . 1 1 29 29 THR N N 29 113.124 113.124 116.473 -3.349 18082 1625 1 5 . 1 1 29 29 THR HA H 29 3.748 3.748 3.877 -0.129 18082 1626 1 5 . 1 1 29 29 THR CA C 29 66.445 66.445 66.875 -0.430 18082 1627 1 5 . 1 1 29 29 THR CB C 29 68.069 68.069 68.457 -0.388 18082 1628 1 5 . 1 1 29 29 THR H H 29 9.115 9.115 8.963 0.152 18082 1629 1 5 . 1 1 30 30 LYS N N 30 120.485 120.485 123.172 -2.687 18082 1630 1 5 . 1 1 30 30 LYS HA H 30 4.106 4.106 3.950 0.156 18082 1631 1 5 . 1 1 30 30 LYS CA C 30 59.216 59.216 60.010 -0.794 18082 1632 1 5 . 1 1 30 30 LYS CB C 30 32.546 32.546 32.208 0.339 18082 1633 1 5 . 1 1 30 30 LYS H H 30 7.639 7.639 8.416 -0.777 18082 1634 1 5 . 1 1 31 31 GLU N N 31 121.786 121.786 119.075 2.711 18082 1635 1 5 . 1 1 31 31 GLU HA H 31 4.003 4.003 4.054 -0.051 18082 1636 1 5 . 1 1 31 31 GLU CA C 31 59.642 59.642 58.965 0.677 18082 1637 1 5 . 1 1 31 31 GLU CB C 31 29.605 29.605 29.076 0.529 18082 1638 1 5 . 1 1 31 31 GLU H H 31 7.693 7.693 8.066 -0.373 18082 1639 1 5 . 1 1 32 32 LEU N N 32 120.699 120.699 121.565 -0.866 18082 1640 1 5 . 1 1 32 32 LEU HA H 32 4.093 4.093 4.411 -0.318 18082 1641 1 5 . 1 1 32 32 LEU CA C 32 58.340 58.340 57.830 0.511 18082 1642 1 5 . 1 1 32 32 LEU CB C 32 42.173 42.173 41.929 0.244 18082 1643 1 5 . 1 1 32 32 LEU H H 32 8.585 8.585 7.895 0.690 18082 1644 1 5 . 1 1 33 33 GLY N N 33 106.061 106.061 104.769 1.292 18082 1645 1 5 . 1 1 33 33 GLY CA C 33 48.681 48.681 47.406 1.275 18082 1646 1 5 . 1 1 33 33 GLY H H 33 8.715 8.715 8.376 0.339 18082 1647 1 5 . 1 1 34 34 THR N N 34 118.195 118.195 116.560 1.635 18082 1648 1 5 . 1 1 34 34 THR HA H 34 3.929 3.929 3.888 0.041 18082 1649 1 5 . 1 1 34 34 THR CA C 34 66.961 66.961 65.913 1.048 18082 1650 1 5 . 1 1 34 34 THR CB C 34 68.764 68.764 68.580 0.184 18082 1651 1 5 . 1 1 34 34 THR H H 34 7.947 7.947 7.712 0.235 18082 1652 1 5 . 1 1 35 35 VAL N N 35 122.412 122.412 121.347 1.065 18082 1653 1 5 . 1 1 35 35 VAL HA H 35 3.609 3.609 3.729 -0.120 18082 1654 1 5 . 1 1 35 35 VAL CA C 35 66.554 66.554 65.986 0.568 18082 1655 1 5 . 1 1 35 35 VAL CB C 35 31.479 31.479 31.215 0.264 18082 1656 1 5 . 1 1 35 35 VAL H H 35 7.760 7.760 7.266 0.494 18082 1657 1 5 . 1 1 36 36 MET N N 36 118.407 118.407 118.477 -0.070 18082 1658 1 5 . 1 1 36 36 MET HA H 36 4.104 4.104 4.104 0.000 18082 1659 1 5 . 1 1 36 36 MET CA C 36 58.532 58.532 59.242 -0.710 18082 1660 1 5 . 1 1 36 36 MET CB C 36 30.782 30.782 32.095 -1.313 18082 1661 1 5 . 1 1 36 36 MET H H 36 8.583 8.583 7.712 0.871 18082 1662 1 5 . 1 1 37 37 ARG N N 37 119.070 119.070 119.933 -0.863 18082 1663 1 5 . 1 1 37 37 ARG HA H 37 4.789 4.789 3.984 0.805 18082 1664 1 5 . 1 1 37 37 ARG CA C 37 59.141 59.141 59.526 -0.385 18082 1665 1 5 . 1 1 37 37 ARG CB C 37 30.019 30.019 30.288 -0.269 18082 1666 1 5 . 1 1 37 37 ARG H H 37 8.499 8.499 8.376 0.123 18082 1667 1 5 . 1 1 38 38 SER N N 38 118.897 118.897 113.275 5.622 18082 1668 1 5 . 1 1 38 38 SER HA H 38 4.417 4.417 4.471 -0.054 18082 1669 1 5 . 1 1 38 38 SER CA C 38 61.450 61.450 60.156 1.294 18082 1670 1 5 . 1 1 38 38 SER CB C 38 62.846 62.846 63.393 -0.547 18082 1671 1 5 . 1 1 38 38 SER H H 38 7.965 7.965 7.819 0.146 18082 1672 1 5 . 1 1 39 39 LEU N N 39 120.765 120.765 121.359 -0.594 18082 1673 1 5 . 1 1 39 39 LEU HA H 39 4.489 4.489 4.497 -0.008 18082 1674 1 5 . 1 1 39 39 LEU CA C 39 54.576 54.576 55.831 -1.255 18082 1675 1 5 . 1 1 39 39 LEU CB C 39 41.963 41.963 43.426 -1.463 18082 1676 1 5 . 1 1 39 39 LEU H H 39 7.387 7.387 7.372 0.015 18082 1677 1 5 . 1 1 40 40 GLY N N 40 107.022 107.022 104.740 2.282 18082 1678 1 5 . 1 1 40 40 GLY CA C 40 45.637 45.637 45.484 0.153 18082 1679 1 5 . 1 1 40 40 GLY H H 40 7.889 7.889 7.919 -0.030 18082 1680 1 5 . 1 1 41 41 GLN N N 41 118.231 118.231 116.980 1.251 18082 1681 1 5 . 1 1 41 41 GLN HA H 41 4.495 4.495 3.867 0.628 18082 1682 1 5 . 1 1 41 41 GLN CA C 41 54.440 54.440 56.280 -1.840 18082 1683 1 5 . 1 1 41 41 GLN CB C 41 30.703 30.703 28.294 2.409 18082 1684 1 5 . 1 1 41 41 GLN H H 41 7.747 7.747 7.775 -0.028 18082 1685 1 5 . 1 1 42 42 ASN N N 42 116.416 116.416 119.006 -2.590 18082 1686 1 5 . 1 1 42 42 ASN CA C 42 51.308 51.308 50.331 0.977 18082 1687 1 5 . 1 1 42 42 ASN CB C 42 39.272 39.272 40.072 -0.800 18082 1688 1 5 . 1 1 42 42 ASN H H 42 8.663 8.663 8.532 0.131 18082 1689 1 5 . 1 1 43 43 PRO HA H 43 4.742 4.742 4.619 0.123 18082 1690 1 5 . 1 1 43 43 PRO CA C 43 62.393 62.393 62.562 -0.169 18082 1691 1 5 . 1 1 43 43 PRO CB C 43 31.969 31.969 32.782 -0.813 18082 1692 1 5 . 1 1 44 44 THR N N 44 112.768 112.768 112.176 0.592 18082 1693 1 5 . 1 1 44 44 THR HA H 44 4.723 4.723 4.340 0.383 18082 1694 1 5 . 1 1 44 44 THR CA C 44 60.656 60.656 61.181 -0.525 18082 1695 1 5 . 1 1 44 44 THR CB C 44 71.220 71.220 70.278 0.941 18082 1696 1 5 . 1 1 44 44 THR H H 44 8.790 8.790 8.403 0.387 18082 1697 1 5 . 1 1 45 45 GLU N N 45 120.454 120.454 122.050 -1.596 18082 1698 1 5 . 1 1 45 45 GLU HA H 45 3.970 3.970 3.967 0.003 18082 1699 1 5 . 1 1 45 45 GLU CA C 45 60.178 60.178 60.784 -0.606 18082 1700 1 5 . 1 1 45 45 GLU CB C 45 29.056 29.056 28.790 0.266 18082 1701 1 5 . 1 1 45 45 GLU H H 45 8.771 8.771 8.961 -0.190 18082 1702 1 5 . 1 1 46 46 ALA N N 46 120.779 120.779 121.844 -1.065 18082 1703 1 5 . 1 1 46 46 ALA HA H 46 4.105 4.105 4.123 -0.018 18082 1704 1 5 . 1 1 46 46 ALA CA C 46 55.119 55.119 55.029 0.090 18082 1705 1 5 . 1 1 46 46 ALA CB C 46 18.275 18.275 18.190 0.085 18082 1706 1 5 . 1 1 46 46 ALA H H 46 8.187 8.187 8.214 -0.027 18082 1707 1 5 . 1 1 47 47 GLU N N 47 118.876 118.876 118.892 -0.016 18082 1708 1 5 . 1 1 47 47 GLU HA H 47 3.988 3.988 4.014 -0.026 18082 1709 1 5 . 1 1 47 47 GLU CA C 47 59.179 59.179 58.892 0.287 18082 1710 1 5 . 1 1 47 47 GLU CB C 47 29.871 29.871 29.588 0.283 18082 1711 1 5 . 1 1 47 47 GLU H H 47 7.628 7.628 7.608 0.020 18082 1712 1 5 . 1 1 48 48 LEU N N 48 119.668 119.668 121.044 -1.376 18082 1713 1 5 . 1 1 48 48 LEU HA H 48 3.952 3.952 4.068 -0.116 18082 1714 1 5 . 1 1 48 48 LEU CA C 48 57.831 57.831 57.913 -0.082 18082 1715 1 5 . 1 1 48 48 LEU CB C 48 42.435 42.435 42.019 0.416 18082 1716 1 5 . 1 1 48 48 LEU H H 48 8.104 8.104 8.331 -0.227 18082 1717 1 5 . 1 1 49 49 GLN N N 49 118.133 118.133 118.310 -0.177 18082 1718 1 5 . 1 1 49 49 GLN HA H 49 3.851 3.851 3.959 -0.108 18082 1719 1 5 . 1 1 49 49 GLN CA C 49 58.616 58.616 58.878 -0.262 18082 1720 1 5 . 1 1 49 49 GLN CB C 49 28.202 28.202 28.561 -0.359 18082 1721 1 5 . 1 1 49 49 GLN H H 49 8.168 8.168 8.201 -0.033 18082 1722 1 5 . 1 1 50 50 ASP N N 50 120.259 120.259 120.023 0.236 18082 1723 1 5 . 1 1 50 50 ASP HA H 50 4.459 4.459 4.413 0.046 18082 1724 1 5 . 1 1 50 50 ASP CA C 50 57.787 57.787 57.083 0.704 18082 1725 1 5 . 1 1 50 50 ASP CB C 50 40.475 40.475 40.894 -0.419 18082 1726 1 5 . 1 1 50 50 ASP H H 50 8.053 8.053 7.830 0.223 18082 1727 1 5 . 1 1 51 51 MET N N 51 119.290 119.290 117.860 1.430 18082 1728 1 5 . 1 1 51 51 MET HA H 51 4.095 4.095 4.262 -0.167 18082 1729 1 5 . 1 1 51 51 MET CA C 51 60.031 60.031 57.914 2.117 18082 1730 1 5 . 1 1 51 51 MET CB C 51 33.629 33.629 32.330 1.299 18082 1731 1 5 . 1 1 51 51 MET H H 51 7.948 7.948 7.458 0.490 18082 1732 1 5 . 1 1 52 52 ILE N N 52 119.018 119.018 118.212 0.806 18082 1733 1 5 . 1 1 52 52 ILE HA H 52 3.942 3.942 3.964 -0.022 18082 1734 1 5 . 1 1 52 52 ILE CA C 52 63.568 63.568 61.431 2.137 18082 1735 1 5 . 1 1 52 52 ILE CB C 52 36.623 36.623 37.942 -1.319 18082 1736 1 5 . 1 1 52 52 ILE H H 52 7.793 7.793 7.688 0.105 18082 1737 1 5 . 1 1 53 53 ASN N N 53 118.406 118.406 117.643 0.763 18082 1738 1 5 . 1 1 53 53 ASN HA H 53 4.427 4.427 4.563 -0.136 18082 1739 1 5 . 1 1 53 53 ASN CA C 53 56.145 56.145 54.863 1.282 18082 1740 1 5 . 1 1 53 53 ASN CB C 53 38.100 38.100 39.140 -1.040 18082 1741 1 5 . 1 1 53 53 ASN H H 53 8.853 8.853 7.558 1.295 18082 1742 1 5 . 1 1 54 54 GLU N N 54 116.393 116.393 117.973 -1.580 18082 1743 1 5 . 1 1 54 54 GLU HA H 54 4.064 4.064 4.302 -0.238 18082 1744 1 5 . 1 1 54 54 GLU CA C 54 59.025 59.025 57.063 1.962 18082 1745 1 5 . 1 1 54 54 GLU CB C 54 30.347 30.347 29.486 0.861 18082 1746 1 5 . 1 1 54 54 GLU H H 54 7.723 7.723 7.575 0.148 18082 1747 1 5 . 1 1 55 55 VAL N N 55 112.052 112.052 117.536 -5.484 18082 1748 1 5 . 1 1 55 55 VAL HA H 55 4.206 4.206 4.136 0.070 18082 1749 1 5 . 1 1 55 55 VAL CA C 55 60.952 60.952 63.230 -2.278 18082 1750 1 5 . 1 1 55 55 VAL CB C 55 33.117 33.117 34.511 -1.394 18082 1751 1 5 . 1 1 55 55 VAL H H 55 7.154 7.154 7.364 -0.210 18082 1752 1 5 . 1 1 56 56 ASP N N 56 121.462 121.462 122.202 -0.740 18082 1753 1 5 . 1 1 56 56 ASP HA H 56 4.483 4.483 4.715 -0.232 18082 1754 1 5 . 1 1 56 56 ASP CA C 56 53.871 53.871 53.747 0.124 18082 1755 1 5 . 1 1 56 56 ASP CB C 56 40.414 40.414 41.116 -0.702 18082 1756 1 5 . 1 1 56 56 ASP H H 56 7.652 7.652 7.841 -0.189 18082 1757 1 5 . 1 1 57 57 ALA N N 57 131.294 131.294 129.121 2.173 18082 1758 1 5 . 1 1 57 57 ALA HA H 57 4.216 4.216 4.204 0.012 18082 1759 1 5 . 1 1 57 57 ALA CA C 57 54.533 54.533 53.490 1.043 18082 1760 1 5 . 1 1 57 57 ALA CB C 57 19.810 19.810 19.231 0.579 18082 1761 1 5 . 1 1 57 57 ALA H H 57 8.067 8.067 8.183 -0.116 18082 1762 1 5 . 1 1 58 58 ASP N N 58 113.873 113.873 117.894 -4.021 18082 1763 1 5 . 1 1 58 58 ASP HA H 58 4.652 4.652 4.486 0.166 18082 1764 1 5 . 1 1 58 58 ASP CA C 58 52.885 52.885 54.242 -1.357 18082 1765 1 5 . 1 1 58 58 ASP CB C 58 39.916 39.916 40.917 -1.001 18082 1766 1 5 . 1 1 58 58 ASP H H 58 8.236 8.236 8.261 -0.025 18082 1767 1 5 . 1 1 59 59 GLY N N 59 108.338 108.338 109.926 -1.588 18082 1768 1 5 . 1 1 59 59 GLY CA C 59 47.252 47.252 45.002 2.250 18082 1769 1 5 . 1 1 59 59 GLY H H 59 7.574 7.574 8.192 -0.618 18082 1770 1 5 . 1 1 60 60 ASN N N 60 118.885 118.885 117.826 1.059 18082 1771 1 5 . 1 1 60 60 ASN HA H 60 4.628 4.628 4.814 -0.186 18082 1772 1 5 . 1 1 60 60 ASN CA C 60 52.889 52.889 52.303 0.586 18082 1773 1 5 . 1 1 60 60 ASN CB C 60 37.683 37.683 39.932 -2.249 18082 1774 1 5 . 1 1 60 60 ASN H H 60 8.167 8.167 9.301 -1.134 18082 1775 1 5 . 1 1 61 61 GLY N N 61 113.590 113.590 110.907 2.683 18082 1776 1 5 . 1 1 61 61 GLY CA C 61 45.648 45.648 46.019 -0.371 18082 1777 1 5 . 1 1 61 61 GLY H H 61 10.620 10.620 8.874 1.746 18082 1778 1 5 . 1 1 62 62 THR N N 62 108.235 108.235 114.345 -6.110 18082 1779 1 5 . 1 1 62 62 THR HA H 62 4.822 4.822 4.835 -0.012 18082 1780 1 5 . 1 1 62 62 THR CA C 62 59.531 59.531 61.989 -2.458 18082 1781 1 5 . 1 1 62 62 THR CB C 62 72.479 72.479 71.622 0.857 18082 1782 1 5 . 1 1 62 62 THR H H 62 7.671 7.671 8.279 -0.608 18082 1783 1 5 . 1 1 63 63 ILE N N 63 124.438 124.438 128.150 -3.712 18082 1784 1 5 . 1 1 63 63 ILE HA H 63 5.357 5.357 4.570 0.787 18082 1785 1 5 . 1 1 63 63 ILE CA C 63 58.123 58.123 60.475 -2.352 18082 1786 1 5 . 1 1 63 63 ILE CB C 63 38.406 38.406 38.928 -0.522 18082 1787 1 5 . 1 1 63 63 ILE H H 63 8.816 8.816 8.524 0.292 18082 1788 1 5 . 1 1 64 64 ASP N N 64 128.393 128.393 129.472 -1.079 18082 1789 1 5 . 1 1 64 64 ASP HA H 64 5.455 5.455 4.794 0.661 18082 1790 1 5 . 1 1 64 64 ASP CA C 64 51.924 51.924 52.623 -0.699 18082 1791 1 5 . 1 1 64 64 ASP CB C 64 42.237 42.237 43.033 -0.796 18082 1792 1 5 . 1 1 64 64 ASP H H 64 8.811 8.811 9.302 -0.491 18082 1793 1 5 . 1 1 65 65 PHE N N 65 118.159 118.159 118.716 -0.557 18082 1794 1 5 . 1 1 65 65 PHE HA H 65 3.993 3.993 4.058 -0.065 18082 1795 1 5 . 1 1 65 65 PHE CA C 65 63.050 63.050 62.903 0.147 18082 1796 1 5 . 1 1 65 65 PHE CB C 65 35.932 35.932 36.459 -0.527 18082 1797 1 5 . 1 1 65 65 PHE H H 65 8.926 8.926 9.162 -0.236 18082 1798 1 5 . 1 1 66 66 PRO HA H 66 3.827 3.827 4.248 -0.421 18082 1799 1 5 . 1 1 66 66 PRO CA C 66 66.950 66.950 66.160 0.790 18082 1800 1 5 . 1 1 66 66 PRO CB C 66 30.758 30.758 31.295 -0.537 18082 1801 1 5 . 1 1 67 67 GLU N N 67 117.916 117.916 118.265 -0.349 18082 1802 1 5 . 1 1 67 67 GLU HA H 67 3.988 3.988 4.063 -0.075 18082 1803 1 5 . 1 1 67 67 GLU CA C 67 59.100 59.100 59.074 0.026 18082 1804 1 5 . 1 1 67 67 GLU CB C 67 29.855 29.855 29.230 0.625 18082 1805 1 5 . 1 1 67 67 GLU H H 67 8.267 8.267 7.593 0.674 18082 1806 1 5 . 1 1 68 68 PHE N N 68 123.365 123.365 121.586 1.779 18082 1807 1 5 . 1 1 68 68 PHE HA H 68 3.632 3.632 4.149 -0.517 18082 1808 1 5 . 1 1 68 68 PHE CA C 68 61.413 61.413 61.590 -0.177 18082 1809 1 5 . 1 1 68 68 PHE CB C 68 40.628 40.628 39.333 1.295 18082 1810 1 5 . 1 1 68 68 PHE H H 68 8.631 8.631 8.527 0.104 18082 1811 1 5 . 1 1 69 69 LEU N N 69 120.250 120.250 117.699 2.551 18082 1812 1 5 . 1 1 69 69 LEU HA H 69 3.304 3.304 3.790 -0.486 18082 1813 1 5 . 1 1 69 69 LEU CA C 69 57.940 57.940 57.403 0.537 18082 1814 1 5 . 1 1 69 69 LEU CB C 69 41.342 41.342 41.611 -0.270 18082 1815 1 5 . 1 1 69 69 LEU H H 69 9.006 9.006 7.976 1.030 18082 1816 1 5 . 1 1 70 70 THR N N 70 114.585 114.585 113.518 1.067 18082 1817 1 5 . 1 1 70 70 THR HA H 70 3.640 3.640 4.222 -0.582 18082 1818 1 5 . 1 1 70 70 THR CA C 70 66.819 66.819 64.621 2.198 18082 1819 1 5 . 1 1 70 70 THR CB C 70 68.615 68.615 69.124 -0.509 18082 1820 1 5 . 1 1 70 70 THR H H 70 7.671 7.671 7.506 0.165 18082 1821 1 5 . 1 1 71 71 MET N N 71 120.319 120.319 123.485 -3.166 18082 1822 1 5 . 1 1 71 71 MET HA H 71 3.825 3.825 4.033 -0.208 18082 1823 1 5 . 1 1 71 71 MET CA C 71 58.513 58.513 58.273 0.240 18082 1824 1 5 . 1 1 71 71 MET CB C 71 30.796 30.796 32.488 -1.692 18082 1825 1 5 . 1 1 71 71 MET H H 71 7.095 7.095 8.021 -0.926 18082 1826 1 5 . 1 1 72 72 MET N N 72 118.715 118.715 115.651 3.064 18082 1827 1 5 . 1 1 72 72 MET HA H 72 3.802 3.802 4.270 -0.468 18082 1828 1 5 . 1 1 72 72 MET CA C 72 56.247 56.247 54.067 2.180 18082 1829 1 5 . 1 1 72 72 MET CB C 72 30.368 30.368 31.462 -1.094 18082 1830 1 5 . 1 1 72 72 MET H H 72 8.004 8.004 7.199 0.805 18082 1831 1 5 . 1 1 73 73 ALA N N 73 121.244 121.244 121.680 -0.436 18082 1832 1 5 . 1 1 73 73 ALA HA H 73 4.028 4.028 4.427 -0.399 18082 1833 1 5 . 1 1 73 73 ALA CA C 73 54.594 54.594 52.585 2.009 18082 1834 1 5 . 1 1 73 73 ALA CB C 73 18.233 18.233 20.952 -2.719 18082 1835 1 5 . 1 1 73 73 ALA H H 73 8.298 8.298 7.883 0.415 18082 1836 1 5 . 1 1 74 74 ARG N N 74 116.638 116.638 122.345 -5.707 18082 1837 1 5 . 1 1 74 74 ARG HA H 74 4.086 4.086 4.394 -0.307 18082 1838 1 5 . 1 1 74 74 ARG CA C 74 58.442 58.442 55.168 3.274 18082 1839 1 5 . 1 1 74 74 ARG CB C 74 30.239 30.239 28.726 1.513 18082 1840 1 5 . 1 1 74 74 ARG H H 74 7.378 7.378 8.165 -0.787 18082 1841 1 5 . 1 1 75 75 LYS N N 75 118.910 118.910 123.560 -4.650 18082 1842 1 5 . 1 1 75 75 LYS HA H 75 4.208 4.208 4.359 -0.151 18082 1843 1 5 . 1 1 75 75 LYS CA C 75 57.508 57.508 55.760 1.748 18082 1844 1 5 . 1 1 75 75 LYS CB C 75 32.532 32.532 33.419 -0.887 18082 1845 1 5 . 1 1 75 75 LYS H H 75 7.779 7.779 7.812 -0.033 18082 1846 1 5 . 1 1 76 76 MET N N 76 117.825 117.825 120.839 -3.014 18082 1847 1 5 . 1 1 76 76 MET HA H 76 4.353 4.353 4.563 -0.210 18082 1848 1 5 . 1 1 76 76 MET CA C 76 56.880 56.880 54.738 2.142 18082 1849 1 5 . 1 1 76 76 MET CB C 76 32.784 32.784 33.873 -1.089 18082 1850 1 5 . 1 1 76 76 MET H H 76 7.789 7.789 8.304 -0.515 18082 1851 1 5 . 1 1 77 77 LYS N N 77 119.283 119.283 126.245 -6.962 18082 1852 1 5 . 1 1 77 77 LYS HA H 77 4.355 4.355 4.296 0.059 18082 1853 1 5 . 1 1 77 77 LYS CA C 77 56.490 56.490 56.759 -0.269 18082 1854 1 5 . 1 1 77 77 LYS CB C 77 33.115 33.115 31.454 1.661 18082 1855 1 5 . 1 1 77 77 LYS H H 77 7.711 7.711 8.536 -0.825 18082 1856 1 5 . 1 1 78 78 ASP N N 78 121.107 121.107 120.398 0.709 18082 1857 1 5 . 1 1 78 78 ASP HA H 78 4.695 4.695 4.840 -0.144 18082 1858 1 5 . 1 1 78 78 ASP CA C 78 54.680 54.680 52.796 1.884 18082 1859 1 5 . 1 1 78 78 ASP CB C 78 41.207 41.207 43.542 -2.335 18082 1860 1 5 . 1 1 78 78 ASP H H 78 8.089 8.089 8.060 0.029 18082 1861 1 5 . 1 1 79 79 THR N N 79 112.761 112.761 115.309 -2.548 18082 1862 1 5 . 1 1 79 79 THR HA H 79 4.390 4.390 4.399 -0.009 18082 1863 1 5 . 1 1 79 79 THR CA C 79 61.469 61.469 61.935 -0.466 18082 1864 1 5 . 1 1 79 79 THR CB C 79 70.178 70.178 67.245 2.933 18082 1865 1 5 . 1 1 79 79 THR H H 79 7.935 7.935 8.278 -0.343 18082 1866 1 6 . 1 1 2 2 ASP N N 2 117.390 117.390 120.899 -3.509 18082 1867 1 6 . 1 1 2 2 ASP HA H 2 4.521 4.521 4.709 -0.188 18082 1868 1 6 . 1 1 2 2 ASP CA C 2 55.014 55.014 53.946 1.068 18082 1869 1 6 . 1 1 2 2 ASP CB C 2 40.955 40.955 39.359 1.596 18082 1870 1 6 . 1 1 2 2 ASP H H 2 8.039 8.039 8.575 -0.536 18082 1871 1 6 . 1 1 3 3 GLN N N 3 118.072 118.072 119.792 -1.720 18082 1872 1 6 . 1 1 3 3 GLN HA H 3 4.357 4.357 4.301 0.056 18082 1873 1 6 . 1 1 3 3 GLN CA C 3 55.636 55.636 57.533 -1.897 18082 1874 1 6 . 1 1 3 3 GLN CB C 3 29.695 29.695 29.413 0.282 18082 1875 1 6 . 1 1 3 3 GLN H H 3 7.949 7.949 8.092 -0.143 18082 1876 1 6 . 1 1 4 4 LEU N N 4 121.793 121.793 120.446 1.347 18082 1877 1 6 . 1 1 4 4 LEU HA H 4 4.692 4.692 4.332 0.360 18082 1878 1 6 . 1 1 4 4 LEU CA C 4 54.358 54.358 54.144 0.214 18082 1879 1 6 . 1 1 4 4 LEU CB C 4 43.712 43.712 40.142 3.570 18082 1880 1 6 . 1 1 4 4 LEU H H 4 7.841 7.841 8.244 -0.403 18082 1881 1 6 . 1 1 5 5 THR N N 5 112.587 112.587 114.545 -1.958 18082 1882 1 6 . 1 1 5 5 THR HA H 5 4.772 4.772 4.295 0.477 18082 1883 1 6 . 1 1 5 5 THR CA C 5 60.388 60.388 62.603 -2.215 18082 1884 1 6 . 1 1 5 5 THR CB C 5 71.243 71.243 70.092 1.151 18082 1885 1 6 . 1 1 5 5 THR H H 5 8.625 8.625 7.860 0.765 18082 1886 1 6 . 1 1 6 6 GLU N N 6 120.574 120.574 119.281 1.293 18082 1887 1 6 . 1 1 6 6 GLU HA H 6 3.976 3.976 4.101 -0.125 18082 1888 1 6 . 1 1 6 6 GLU CA C 6 60.180 60.180 57.315 2.865 18082 1889 1 6 . 1 1 6 6 GLU CB C 6 29.285 29.285 29.487 -0.202 18082 1890 1 6 . 1 1 6 6 GLU H H 6 8.995 8.995 8.676 0.319 18082 1891 1 6 . 1 1 7 7 GLU N N 7 119.338 119.338 117.317 2.021 18082 1892 1 6 . 1 1 7 7 GLU HA H 7 4.063 4.063 4.339 -0.276 18082 1893 1 6 . 1 1 7 7 GLU CA C 7 60.062 60.062 57.230 2.832 18082 1894 1 6 . 1 1 7 7 GLU CB C 7 29.198 29.198 29.520 -0.323 18082 1895 1 6 . 1 1 7 7 GLU H H 7 8.678 8.678 8.262 0.416 18082 1896 1 6 . 1 1 8 8 GLN N N 8 120.308 120.308 119.452 0.856 18082 1897 1 6 . 1 1 8 8 GLN HA H 8 3.874 3.874 4.002 -0.128 18082 1898 1 6 . 1 1 8 8 GLN CA C 8 58.626 58.626 57.818 0.808 18082 1899 1 6 . 1 1 8 8 GLN CB C 8 29.201 29.201 28.782 0.419 18082 1900 1 6 . 1 1 8 8 GLN H H 8 7.684 7.684 8.187 -0.503 18082 1901 1 6 . 1 1 9 9 ILE N N 9 119.371 119.371 119.381 -0.010 18082 1902 1 6 . 1 1 9 9 ILE HA H 9 3.675 3.675 3.615 0.060 18082 1903 1 6 . 1 1 9 9 ILE CA C 9 66.241 66.241 64.612 1.629 18082 1904 1 6 . 1 1 9 9 ILE CB C 9 37.702 37.702 37.431 0.271 18082 1905 1 6 . 1 1 9 9 ILE H H 9 8.339 8.339 7.562 0.777 18082 1906 1 6 . 1 1 10 10 ALA N N 10 121.339 121.339 120.217 1.122 18082 1907 1 6 . 1 1 10 10 ALA HA H 10 4.118 4.118 3.982 0.136 18082 1908 1 6 . 1 1 10 10 ALA CA C 10 55.648 55.648 55.333 0.315 18082 1909 1 6 . 1 1 10 10 ALA CB C 10 17.908 17.908 18.039 -0.131 18082 1910 1 6 . 1 1 10 10 ALA H H 10 8.048 8.048 8.256 -0.208 18082 1911 1 6 . 1 1 11 11 GLU N N 11 119.886 119.886 118.818 1.068 18082 1912 1 6 . 1 1 11 11 GLU HA H 11 4.187 4.187 4.130 0.057 18082 1913 1 6 . 1 1 11 11 GLU CA C 11 59.577 59.577 58.617 0.960 18082 1914 1 6 . 1 1 11 11 GLU CB C 11 29.306 29.306 29.323 -0.017 18082 1915 1 6 . 1 1 11 11 GLU H H 11 7.792 7.792 7.458 0.334 18082 1916 1 6 . 1 1 12 12 PHE N N 12 119.957 119.957 118.704 1.253 18082 1917 1 6 . 1 1 12 12 PHE HA H 12 5.011 5.011 4.407 0.604 18082 1918 1 6 . 1 1 12 12 PHE CA C 12 59.173 59.173 59.125 0.048 18082 1919 1 6 . 1 1 12 12 PHE CB C 12 37.617 37.617 38.410 -0.793 18082 1920 1 6 . 1 1 12 12 PHE H H 12 8.527 8.527 7.604 0.923 18082 1921 1 6 . 1 1 13 13 LYS N N 13 123.937 123.937 119.098 4.839 18082 1922 1 6 . 1 1 13 13 LYS HA H 13 4.015 4.015 4.162 -0.146 18082 1923 1 6 . 1 1 13 13 LYS CA C 13 60.169 60.169 59.760 0.409 18082 1924 1 6 . 1 1 13 13 LYS CB C 13 31.986 31.986 32.162 -0.176 18082 1925 1 6 . 1 1 13 13 LYS H H 13 9.246 9.246 8.348 0.898 18082 1926 1 6 . 1 1 14 14 GLU N N 14 120.885 120.885 119.204 1.681 18082 1927 1 6 . 1 1 14 14 GLU HA H 14 4.130 4.130 4.069 0.061 18082 1928 1 6 . 1 1 14 14 GLU CA C 14 59.653 59.653 59.060 0.593 18082 1929 1 6 . 1 1 14 14 GLU CB C 14 29.125 29.125 28.999 0.126 18082 1930 1 6 . 1 1 14 14 GLU H H 14 7.956 7.956 7.820 0.136 18082 1931 1 6 . 1 1 15 15 ALA N N 15 121.878 121.878 121.889 -0.011 18082 1932 1 6 . 1 1 15 15 ALA HA H 15 4.257 4.257 3.995 0.262 18082 1933 1 6 . 1 1 15 15 ALA CA C 15 55.565 55.565 54.982 0.583 18082 1934 1 6 . 1 1 15 15 ALA CB C 15 18.237 18.237 17.788 0.449 18082 1935 1 6 . 1 1 15 15 ALA H H 15 8.129 8.129 7.411 0.718 18082 1936 1 6 . 1 1 16 16 PHE N N 16 118.993 118.993 112.702 6.291 18082 1937 1 6 . 1 1 16 16 PHE HA H 16 3.326 3.326 4.400 -1.074 18082 1938 1 6 . 1 1 16 16 PHE CA C 16 62.270 62.270 57.437 4.833 18082 1939 1 6 . 1 1 16 16 PHE CB C 16 39.695 39.695 37.460 2.235 18082 1940 1 6 . 1 1 16 16 PHE H H 16 8.800 8.800 7.383 1.417 18082 1941 1 6 . 1 1 17 17 SER N N 17 113.609 113.609 115.075 -1.466 18082 1942 1 6 . 1 1 17 17 SER HA H 17 4.166 4.166 4.660 -0.494 18082 1943 1 6 . 1 1 17 17 SER CA C 17 61.564 61.564 60.153 1.411 18082 1944 1 6 . 1 1 17 17 SER CB C 17 63.457 63.457 65.459 -2.002 18082 1945 1 6 . 1 1 17 17 SER H H 17 8.062 8.062 7.575 0.487 18082 1946 1 6 . 1 1 18 18 LEU N N 18 120.325 120.325 121.687 -1.362 18082 1947 1 6 . 1 1 18 18 LEU HA H 18 4.005 4.005 4.300 -0.295 18082 1948 1 6 . 1 1 18 18 LEU CA C 18 57.028 57.028 56.930 0.098 18082 1949 1 6 . 1 1 18 18 LEU CB C 18 41.523 41.523 42.556 -1.033 18082 1950 1 6 . 1 1 18 18 LEU H H 18 7.452 7.452 8.524 -1.072 18082 1951 1 6 . 1 1 19 19 PHE N N 19 113.738 113.738 119.997 -6.259 18082 1952 1 6 . 1 1 19 19 PHE HA H 19 4.245 4.245 4.297 -0.052 18082 1953 1 6 . 1 1 19 19 PHE CA C 19 59.530 59.530 59.986 -0.457 18082 1954 1 6 . 1 1 19 19 PHE CB C 19 41.928 41.928 39.812 2.116 18082 1955 1 6 . 1 1 19 19 PHE H H 19 7.187 7.187 7.877 -0.690 18082 1956 1 6 . 1 1 20 20 ASP N N 20 116.566 116.566 117.404 -0.838 18082 1957 1 6 . 1 1 20 20 ASP HA H 20 4.565 4.565 4.587 -0.022 18082 1958 1 6 . 1 1 20 20 ASP CA C 20 52.488 52.488 54.306 -1.818 18082 1959 1 6 . 1 1 20 20 ASP CB C 20 39.280 39.280 42.286 -3.006 18082 1960 1 6 . 1 1 20 20 ASP H H 20 7.733 7.733 7.753 -0.020 18082 1961 1 6 . 1 1 21 21 LYS N N 21 124.387 124.387 123.351 1.036 18082 1962 1 6 . 1 1 21 21 LYS HA H 21 3.987 3.987 4.474 -0.487 18082 1963 1 6 . 1 1 21 21 LYS CA C 21 58.353 58.353 55.999 2.354 18082 1964 1 6 . 1 1 21 21 LYS CB C 21 32.514 32.514 32.984 -0.470 18082 1965 1 6 . 1 1 21 21 LYS H H 21 7.668 7.668 8.430 -0.762 18082 1966 1 6 . 1 1 22 22 ASP N N 22 114.142 114.142 119.367 -5.225 18082 1967 1 6 . 1 1 22 22 ASP HA H 22 4.594 4.594 4.611 -0.017 18082 1968 1 6 . 1 1 22 22 ASP CA C 22 52.934 52.934 55.471 -2.537 18082 1969 1 6 . 1 1 22 22 ASP CB C 22 39.645 39.645 41.960 -2.315 18082 1970 1 6 . 1 1 22 22 ASP H H 22 8.135 8.135 8.277 -0.142 18082 1971 1 6 . 1 1 23 23 GLY N N 23 109.286 109.286 107.839 1.447 18082 1972 1 6 . 1 1 23 23 GLY CA C 23 47.308 47.308 45.186 2.122 18082 1973 1 6 . 1 1 23 23 GLY H H 23 7.683 7.683 8.642 -0.959 18082 1974 1 6 . 1 1 24 24 ASP N N 24 120.949 120.949 120.829 0.120 18082 1975 1 6 . 1 1 24 24 ASP HA H 24 4.525 4.525 4.363 0.162 18082 1976 1 6 . 1 1 24 24 ASP CA C 24 53.891 53.891 54.237 -0.346 18082 1977 1 6 . 1 1 24 24 ASP CB C 24 40.513 40.513 40.211 0.302 18082 1978 1 6 . 1 1 24 24 ASP H H 24 8.477 8.477 7.645 0.832 18082 1979 1 6 . 1 1 25 25 GLY N N 25 112.905 112.905 108.958 3.947 18082 1980 1 6 . 1 1 25 25 GLY CA C 25 45.496 45.496 45.442 0.054 18082 1981 1 6 . 1 1 25 25 GLY H H 25 10.567 10.567 8.784 1.783 18082 1982 1 6 . 1 1 26 26 THR N N 26 112.165 112.165 109.994 2.171 18082 1983 1 6 . 1 1 26 26 THR HA H 26 5.421 5.421 4.812 0.609 18082 1984 1 6 . 1 1 26 26 THR CA C 26 59.692 59.692 59.654 0.038 18082 1985 1 6 . 1 1 26 26 THR CB C 26 72.792 72.792 72.084 0.708 18082 1986 1 6 . 1 1 26 26 THR H H 26 8.238 8.238 8.230 0.008 18082 1987 1 6 . 1 1 27 27 ILE N N 27 126.801 126.801 125.274 1.527 18082 1988 1 6 . 1 1 27 27 ILE HA H 27 4.846 4.846 4.303 0.543 18082 1989 1 6 . 1 1 27 27 ILE CA C 27 61.302 61.302 61.914 -0.612 18082 1990 1 6 . 1 1 27 27 ILE CB C 27 40.312 40.312 36.942 3.370 18082 1991 1 6 . 1 1 27 27 ILE H H 27 9.970 9.970 8.371 1.599 18082 1992 1 6 . 1 1 28 28 THR N N 28 116.315 116.315 121.296 -4.981 18082 1993 1 6 . 1 1 28 28 THR HA H 28 4.921 4.921 5.174 -0.253 18082 1994 1 6 . 1 1 28 28 THR CA C 28 59.359 59.359 59.521 -0.162 18082 1995 1 6 . 1 1 28 28 THR CB C 28 72.614 72.614 71.303 1.311 18082 1996 1 6 . 1 1 28 28 THR H H 28 8.356 8.356 8.709 -0.353 18082 1997 1 6 . 1 1 29 29 THR N N 29 113.124 113.124 115.949 -2.825 18082 1998 1 6 . 1 1 29 29 THR HA H 29 3.748 3.748 3.913 -0.165 18082 1999 1 6 . 1 1 29 29 THR CA C 29 66.445 66.445 66.376 0.069 18082 2000 1 6 . 1 1 29 29 THR CB C 29 68.069 68.069 68.328 -0.258 18082 2001 1 6 . 1 1 29 29 THR H H 29 9.115 9.115 8.877 0.238 18082 2002 1 6 . 1 1 30 30 LYS N N 30 120.485 120.485 123.104 -2.619 18082 2003 1 6 . 1 1 30 30 LYS HA H 30 4.106 4.106 3.950 0.156 18082 2004 1 6 . 1 1 30 30 LYS CA C 30 59.216 59.216 59.889 -0.673 18082 2005 1 6 . 1 1 30 30 LYS CB C 30 32.546 32.546 32.099 0.447 18082 2006 1 6 . 1 1 30 30 LYS H H 30 7.639 7.639 8.304 -0.665 18082 2007 1 6 . 1 1 31 31 GLU N N 31 121.786 121.786 119.165 2.621 18082 2008 1 6 . 1 1 31 31 GLU HA H 31 4.003 4.003 3.976 0.027 18082 2009 1 6 . 1 1 31 31 GLU CA C 31 59.642 59.642 58.589 1.053 18082 2010 1 6 . 1 1 31 31 GLU CB C 31 29.605 29.605 29.184 0.421 18082 2011 1 6 . 1 1 31 31 GLU H H 31 7.693 7.693 7.712 -0.019 18082 2012 1 6 . 1 1 32 32 LEU N N 32 120.699 120.699 120.943 -0.244 18082 2013 1 6 . 1 1 32 32 LEU HA H 32 4.093 4.093 4.328 -0.235 18082 2014 1 6 . 1 1 32 32 LEU CA C 32 58.340 58.340 57.181 1.159 18082 2015 1 6 . 1 1 32 32 LEU CB C 32 42.173 42.173 42.043 0.130 18082 2016 1 6 . 1 1 32 32 LEU H H 32 8.585 8.585 8.006 0.579 18082 2017 1 6 . 1 1 33 33 GLY N N 33 106.061 106.061 104.968 1.093 18082 2018 1 6 . 1 1 33 33 GLY CA C 33 48.681 48.681 46.981 1.700 18082 2019 1 6 . 1 1 33 33 GLY H H 33 8.715 8.715 8.369 0.346 18082 2020 1 6 . 1 1 34 34 THR N N 34 118.195 118.195 117.442 0.753 18082 2021 1 6 . 1 1 34 34 THR HA H 34 3.929 3.929 3.861 0.068 18082 2022 1 6 . 1 1 34 34 THR CA C 34 66.961 66.961 66.148 0.813 18082 2023 1 6 . 1 1 34 34 THR CB C 34 68.764 68.764 68.492 0.272 18082 2024 1 6 . 1 1 34 34 THR H H 34 7.947 7.947 7.594 0.353 18082 2025 1 6 . 1 1 35 35 VAL N N 35 122.412 122.412 121.881 0.531 18082 2026 1 6 . 1 1 35 35 VAL HA H 35 3.609 3.609 3.794 -0.185 18082 2027 1 6 . 1 1 35 35 VAL CA C 35 66.554 66.554 65.285 1.269 18082 2028 1 6 . 1 1 35 35 VAL CB C 35 31.479 31.479 31.677 -0.198 18082 2029 1 6 . 1 1 35 35 VAL H H 35 7.760 7.760 7.315 0.445 18082 2030 1 6 . 1 1 36 36 MET N N 36 118.407 118.407 118.519 -0.112 18082 2031 1 6 . 1 1 36 36 MET HA H 36 4.104 4.104 4.013 0.091 18082 2032 1 6 . 1 1 36 36 MET CA C 36 58.532 58.532 59.540 -1.008 18082 2033 1 6 . 1 1 36 36 MET CB C 36 30.782 30.782 32.155 -1.373 18082 2034 1 6 . 1 1 36 36 MET H H 36 8.583 8.583 7.475 1.108 18082 2035 1 6 . 1 1 37 37 ARG N N 37 119.070 119.070 119.327 -0.257 18082 2036 1 6 . 1 1 37 37 ARG HA H 37 4.789 4.789 4.063 0.726 18082 2037 1 6 . 1 1 37 37 ARG CA C 37 59.141 59.141 60.059 -0.918 18082 2038 1 6 . 1 1 37 37 ARG CB C 37 30.019 30.019 30.363 -0.344 18082 2039 1 6 . 1 1 37 37 ARG H H 37 8.499 8.499 8.591 -0.092 18082 2040 1 6 . 1 1 38 38 SER N N 38 118.897 118.897 114.183 4.714 18082 2041 1 6 . 1 1 38 38 SER HA H 38 4.417 4.417 4.317 0.100 18082 2042 1 6 . 1 1 38 38 SER CA C 38 61.450 61.450 61.075 0.375 18082 2043 1 6 . 1 1 38 38 SER CB C 38 62.846 62.846 63.020 -0.174 18082 2044 1 6 . 1 1 38 38 SER H H 38 7.965 7.965 7.561 0.404 18082 2045 1 6 . 1 1 39 39 LEU N N 39 120.765 120.765 121.182 -0.417 18082 2046 1 6 . 1 1 39 39 LEU HA H 39 4.489 4.489 4.429 0.060 18082 2047 1 6 . 1 1 39 39 LEU CA C 39 54.576 54.576 56.498 -1.922 18082 2048 1 6 . 1 1 39 39 LEU CB C 39 41.963 41.963 43.030 -1.067 18082 2049 1 6 . 1 1 39 39 LEU H H 39 7.387 7.387 7.609 -0.222 18082 2050 1 6 . 1 1 40 40 GLY N N 40 107.022 107.022 104.293 2.729 18082 2051 1 6 . 1 1 40 40 GLY CA C 40 45.637 45.637 45.323 0.314 18082 2052 1 6 . 1 1 40 40 GLY H H 40 7.889 7.889 8.242 -0.353 18082 2053 1 6 . 1 1 41 41 GLN N N 41 118.231 118.231 118.501 -0.270 18082 2054 1 6 . 1 1 41 41 GLN HA H 41 4.495 4.495 3.937 0.558 18082 2055 1 6 . 1 1 41 41 GLN CA C 41 54.440 54.440 56.538 -2.098 18082 2056 1 6 . 1 1 41 41 GLN CB C 41 30.703 30.703 28.664 2.039 18082 2057 1 6 . 1 1 41 41 GLN H H 41 7.747 7.747 7.691 0.056 18082 2058 1 6 . 1 1 42 42 ASN N N 42 116.416 116.416 121.369 -4.953 18082 2059 1 6 . 1 1 42 42 ASN CA C 42 51.308 51.308 51.243 0.064 18082 2060 1 6 . 1 1 42 42 ASN CB C 42 39.272 39.272 39.472 -0.200 18082 2061 1 6 . 1 1 42 42 ASN H H 42 8.663 8.663 8.521 0.142 18082 2062 1 6 . 1 1 43 43 PRO HA H 43 4.742 4.742 4.567 0.175 18082 2063 1 6 . 1 1 43 43 PRO CA C 43 62.393 62.393 62.574 -0.181 18082 2064 1 6 . 1 1 43 43 PRO CB C 43 31.969 31.969 32.837 -0.868 18082 2065 1 6 . 1 1 44 44 THR N N 44 112.768 112.768 111.264 1.504 18082 2066 1 6 . 1 1 44 44 THR HA H 44 4.723 4.723 4.475 0.248 18082 2067 1 6 . 1 1 44 44 THR CA C 44 60.656 60.656 60.664 -0.008 18082 2068 1 6 . 1 1 44 44 THR CB C 44 71.220 71.220 70.673 0.547 18082 2069 1 6 . 1 1 44 44 THR H H 44 8.790 8.790 8.863 -0.073 18082 2070 1 6 . 1 1 45 45 GLU N N 45 120.454 120.454 121.038 -0.584 18082 2071 1 6 . 1 1 45 45 GLU HA H 45 3.970 3.970 3.998 -0.028 18082 2072 1 6 . 1 1 45 45 GLU CA C 45 60.178 60.178 59.653 0.525 18082 2073 1 6 . 1 1 45 45 GLU CB C 45 29.056 29.056 29.098 -0.042 18082 2074 1 6 . 1 1 45 45 GLU H H 45 8.771 8.771 8.959 -0.188 18082 2075 1 6 . 1 1 46 46 ALA N N 46 120.779 120.779 122.566 -1.787 18082 2076 1 6 . 1 1 46 46 ALA HA H 46 4.105 4.105 4.131 -0.026 18082 2077 1 6 . 1 1 46 46 ALA CA C 46 55.119 55.119 55.081 0.038 18082 2078 1 6 . 1 1 46 46 ALA CB C 46 18.275 18.275 18.229 0.046 18082 2079 1 6 . 1 1 46 46 ALA H H 46 8.187 8.187 8.204 -0.017 18082 2080 1 6 . 1 1 47 47 GLU N N 47 118.876 118.876 118.890 -0.014 18082 2081 1 6 . 1 1 47 47 GLU HA H 47 3.988 3.988 4.034 -0.046 18082 2082 1 6 . 1 1 47 47 GLU CA C 47 59.179 59.179 58.857 0.322 18082 2083 1 6 . 1 1 47 47 GLU CB C 47 29.871 29.871 29.578 0.293 18082 2084 1 6 . 1 1 47 47 GLU H H 47 7.628 7.628 7.638 -0.010 18082 2085 1 6 . 1 1 48 48 LEU N N 48 119.668 119.668 121.114 -1.446 18082 2086 1 6 . 1 1 48 48 LEU HA H 48 3.952 3.952 4.071 -0.118 18082 2087 1 6 . 1 1 48 48 LEU CA C 48 57.831 57.831 58.046 -0.215 18082 2088 1 6 . 1 1 48 48 LEU CB C 48 42.435 42.435 42.087 0.348 18082 2089 1 6 . 1 1 48 48 LEU H H 48 8.104 8.104 8.073 0.031 18082 2090 1 6 . 1 1 49 49 GLN N N 49 118.133 118.133 118.486 -0.353 18082 2091 1 6 . 1 1 49 49 GLN HA H 49 3.851 3.851 3.962 -0.111 18082 2092 1 6 . 1 1 49 49 GLN CA C 49 58.616 58.616 59.087 -0.471 18082 2093 1 6 . 1 1 49 49 GLN CB C 49 28.202 28.202 28.586 -0.384 18082 2094 1 6 . 1 1 49 49 GLN H H 49 8.168 8.168 8.167 0.001 18082 2095 1 6 . 1 1 50 50 ASP N N 50 120.259 120.259 119.852 0.407 18082 2096 1 6 . 1 1 50 50 ASP HA H 50 4.459 4.459 4.463 -0.004 18082 2097 1 6 . 1 1 50 50 ASP CA C 50 57.787 57.787 56.696 1.091 18082 2098 1 6 . 1 1 50 50 ASP CB C 50 40.475 40.475 40.861 -0.386 18082 2099 1 6 . 1 1 50 50 ASP H H 50 8.053 8.053 7.883 0.170 18082 2100 1 6 . 1 1 51 51 MET N N 51 119.290 119.290 118.150 1.140 18082 2101 1 6 . 1 1 51 51 MET HA H 51 4.095 4.095 4.277 -0.182 18082 2102 1 6 . 1 1 51 51 MET CA C 51 60.031 60.031 57.716 2.315 18082 2103 1 6 . 1 1 51 51 MET CB C 51 33.629 33.629 32.258 1.371 18082 2104 1 6 . 1 1 51 51 MET H H 51 7.948 7.948 7.701 0.247 18082 2105 1 6 . 1 1 52 52 ILE N N 52 119.018 119.018 117.234 1.784 18082 2106 1 6 . 1 1 52 52 ILE HA H 52 3.942 3.942 4.022 -0.080 18082 2107 1 6 . 1 1 52 52 ILE CA C 52 63.568 63.568 61.492 2.076 18082 2108 1 6 . 1 1 52 52 ILE CB C 52 36.623 36.623 38.602 -1.979 18082 2109 1 6 . 1 1 52 52 ILE H H 52 7.793 7.793 7.642 0.151 18082 2110 1 6 . 1 1 53 53 ASN N N 53 118.406 118.406 119.145 -0.739 18082 2111 1 6 . 1 1 53 53 ASN HA H 53 4.427 4.427 4.518 -0.091 18082 2112 1 6 . 1 1 53 53 ASN CA C 53 56.145 56.145 55.101 1.044 18082 2113 1 6 . 1 1 53 53 ASN CB C 53 38.100 38.100 38.870 -0.770 18082 2114 1 6 . 1 1 53 53 ASN H H 53 8.853 8.853 7.540 1.313 18082 2115 1 6 . 1 1 54 54 GLU N N 54 116.393 116.393 117.374 -0.981 18082 2116 1 6 . 1 1 54 54 GLU HA H 54 4.064 4.064 4.302 -0.238 18082 2117 1 6 . 1 1 54 54 GLU CA C 54 59.025 59.025 57.646 1.379 18082 2118 1 6 . 1 1 54 54 GLU CB C 54 30.347 30.347 29.581 0.766 18082 2119 1 6 . 1 1 54 54 GLU H H 54 7.723 7.723 7.907 -0.184 18082 2120 1 6 . 1 1 55 55 VAL N N 55 112.052 112.052 117.066 -5.014 18082 2121 1 6 . 1 1 55 55 VAL HA H 55 4.206 4.206 4.163 0.043 18082 2122 1 6 . 1 1 55 55 VAL CA C 55 60.952 60.952 63.331 -2.379 18082 2123 1 6 . 1 1 55 55 VAL CB C 55 33.117 33.117 34.411 -1.294 18082 2124 1 6 . 1 1 55 55 VAL H H 55 7.154 7.154 7.323 -0.169 18082 2125 1 6 . 1 1 56 56 ASP N N 56 121.462 121.462 122.480 -1.018 18082 2126 1 6 . 1 1 56 56 ASP HA H 56 4.483 4.483 4.648 -0.165 18082 2127 1 6 . 1 1 56 56 ASP CA C 56 53.871 53.871 53.847 0.024 18082 2128 1 6 . 1 1 56 56 ASP CB C 56 40.414 40.414 40.781 -0.367 18082 2129 1 6 . 1 1 56 56 ASP H H 56 7.652 7.652 8.010 -0.358 18082 2130 1 6 . 1 1 57 57 ALA N N 57 131.294 131.294 128.773 2.521 18082 2131 1 6 . 1 1 57 57 ALA HA H 57 4.216 4.216 4.062 0.154 18082 2132 1 6 . 1 1 57 57 ALA CA C 57 54.533 54.533 54.171 0.362 18082 2133 1 6 . 1 1 57 57 ALA CB C 57 19.810 19.810 19.039 0.771 18082 2134 1 6 . 1 1 57 57 ALA H H 57 8.067 8.067 7.872 0.195 18082 2135 1 6 . 1 1 58 58 ASP N N 58 113.873 113.873 116.749 -2.876 18082 2136 1 6 . 1 1 58 58 ASP HA H 58 4.652 4.652 4.443 0.209 18082 2137 1 6 . 1 1 58 58 ASP CA C 58 52.885 52.885 54.157 -1.272 18082 2138 1 6 . 1 1 58 58 ASP CB C 58 39.916 39.916 40.780 -0.864 18082 2139 1 6 . 1 1 58 58 ASP H H 58 8.236 8.236 8.148 0.088 18082 2140 1 6 . 1 1 59 59 GLY N N 59 108.338 108.338 109.529 -1.191 18082 2141 1 6 . 1 1 59 59 GLY CA C 59 47.252 47.252 45.028 2.224 18082 2142 1 6 . 1 1 59 59 GLY H H 59 7.574 7.574 8.220 -0.646 18082 2143 1 6 . 1 1 60 60 ASN N N 60 118.885 118.885 117.164 1.721 18082 2144 1 6 . 1 1 60 60 ASN HA H 60 4.628 4.628 4.886 -0.258 18082 2145 1 6 . 1 1 60 60 ASN CA C 60 52.889 52.889 52.259 0.630 18082 2146 1 6 . 1 1 60 60 ASN CB C 60 37.683 37.683 39.737 -2.054 18082 2147 1 6 . 1 1 60 60 ASN H H 60 8.167 8.167 9.549 -1.382 18082 2148 1 6 . 1 1 61 61 GLY N N 61 113.590 113.590 110.371 3.219 18082 2149 1 6 . 1 1 61 61 GLY CA C 61 45.648 45.648 46.380 -0.732 18082 2150 1 6 . 1 1 61 61 GLY H H 61 10.620 10.620 8.860 1.760 18082 2151 1 6 . 1 1 62 62 THR N N 62 108.235 108.235 114.760 -6.525 18082 2152 1 6 . 1 1 62 62 THR HA H 62 4.822 4.822 4.795 0.027 18082 2153 1 6 . 1 1 62 62 THR CA C 62 59.531 59.531 61.320 -1.789 18082 2154 1 6 . 1 1 62 62 THR CB C 62 72.479 72.479 71.588 0.891 18082 2155 1 6 . 1 1 62 62 THR H H 62 7.671 7.671 8.423 -0.752 18082 2156 1 6 . 1 1 63 63 ILE N N 63 124.438 124.438 125.929 -1.491 18082 2157 1 6 . 1 1 63 63 ILE HA H 63 5.357 5.357 4.665 0.692 18082 2158 1 6 . 1 1 63 63 ILE CA C 63 58.123 58.123 60.099 -1.976 18082 2159 1 6 . 1 1 63 63 ILE CB C 63 38.406 38.406 40.438 -2.032 18082 2160 1 6 . 1 1 63 63 ILE H H 63 8.816 8.816 8.374 0.442 18082 2161 1 6 . 1 1 64 64 ASP N N 64 128.393 128.393 127.812 0.581 18082 2162 1 6 . 1 1 64 64 ASP HA H 64 5.455 5.455 4.810 0.645 18082 2163 1 6 . 1 1 64 64 ASP CA C 64 51.924 51.924 52.103 -0.179 18082 2164 1 6 . 1 1 64 64 ASP CB C 64 42.237 42.237 43.583 -1.346 18082 2165 1 6 . 1 1 64 64 ASP H H 64 8.811 8.811 8.854 -0.043 18082 2166 1 6 . 1 1 65 65 PHE N N 65 118.159 118.159 120.139 -1.980 18082 2167 1 6 . 1 1 65 65 PHE HA H 65 3.993 3.993 4.634 -0.641 18082 2168 1 6 . 1 1 65 65 PHE CA C 65 63.050 63.050 64.068 -1.018 18082 2169 1 6 . 1 1 65 65 PHE CB C 65 35.932 35.932 36.782 -0.850 18082 2170 1 6 . 1 1 65 65 PHE H H 65 8.926 8.926 8.993 -0.067 18082 2171 1 6 . 1 1 66 66 PRO HA H 66 3.827 3.827 4.259 -0.432 18082 2172 1 6 . 1 1 66 66 PRO CA C 66 66.950 66.950 66.395 0.555 18082 2173 1 6 . 1 1 66 66 PRO CB C 66 30.758 30.758 31.159 -0.401 18082 2174 1 6 . 1 1 67 67 GLU N N 67 117.916 117.916 118.426 -0.510 18082 2175 1 6 . 1 1 67 67 GLU HA H 67 3.988 3.988 4.136 -0.148 18082 2176 1 6 . 1 1 67 67 GLU CA C 67 59.100 59.100 59.534 -0.434 18082 2177 1 6 . 1 1 67 67 GLU CB C 67 29.855 29.855 29.329 0.525 18082 2178 1 6 . 1 1 67 67 GLU H H 67 8.267 8.267 8.352 -0.085 18082 2179 1 6 . 1 1 68 68 PHE N N 68 123.365 123.365 122.074 1.291 18082 2180 1 6 . 1 1 68 68 PHE HA H 68 3.632 3.632 4.146 -0.514 18082 2181 1 6 . 1 1 68 68 PHE CA C 68 61.413 61.413 61.674 -0.261 18082 2182 1 6 . 1 1 68 68 PHE CB C 68 40.628 40.628 39.218 1.410 18082 2183 1 6 . 1 1 68 68 PHE H H 68 8.631 8.631 8.893 -0.262 18082 2184 1 6 . 1 1 69 69 LEU N N 69 120.250 120.250 118.216 2.034 18082 2185 1 6 . 1 1 69 69 LEU HA H 69 3.304 3.304 3.702 -0.398 18082 2186 1 6 . 1 1 69 69 LEU CA C 69 57.940 57.940 57.849 0.091 18082 2187 1 6 . 1 1 69 69 LEU CB C 69 41.342 41.342 41.630 -0.288 18082 2188 1 6 . 1 1 69 69 LEU H H 69 9.006 9.006 8.943 0.063 18082 2189 1 6 . 1 1 70 70 THR N N 70 114.585 114.585 113.495 1.090 18082 2190 1 6 . 1 1 70 70 THR HA H 70 3.640 3.640 4.184 -0.544 18082 2191 1 6 . 1 1 70 70 THR CA C 70 66.819 66.819 65.004 1.815 18082 2192 1 6 . 1 1 70 70 THR CB C 70 68.615 68.615 68.958 -0.343 18082 2193 1 6 . 1 1 70 70 THR H H 70 7.671 7.671 7.511 0.160 18082 2194 1 6 . 1 1 71 71 MET N N 71 120.319 120.319 123.240 -2.921 18082 2195 1 6 . 1 1 71 71 MET HA H 71 3.825 3.825 4.095 -0.270 18082 2196 1 6 . 1 1 71 71 MET CA C 71 58.513 58.513 58.198 0.315 18082 2197 1 6 . 1 1 71 71 MET CB C 71 30.796 30.796 32.604 -1.808 18082 2198 1 6 . 1 1 71 71 MET H H 71 7.095 7.095 8.074 -0.979 18082 2199 1 6 . 1 1 72 72 MET N N 72 118.715 118.715 116.066 2.649 18082 2200 1 6 . 1 1 72 72 MET HA H 72 3.802 3.802 4.291 -0.489 18082 2201 1 6 . 1 1 72 72 MET CA C 72 56.247 56.247 54.005 2.242 18082 2202 1 6 . 1 1 72 72 MET CB C 72 30.368 30.368 31.281 -0.913 18082 2203 1 6 . 1 1 72 72 MET H H 72 8.004 8.004 7.473 0.531 18082 2204 1 6 . 1 1 73 73 ALA N N 73 121.244 121.244 121.732 -0.488 18082 2205 1 6 . 1 1 73 73 ALA HA H 73 4.028 4.028 4.368 -0.340 18082 2206 1 6 . 1 1 73 73 ALA CA C 73 54.594 54.594 52.538 2.055 18082 2207 1 6 . 1 1 73 73 ALA CB C 73 18.233 18.233 20.622 -2.389 18082 2208 1 6 . 1 1 73 73 ALA H H 73 8.298 8.298 7.781 0.517 18082 2209 1 6 . 1 1 74 74 ARG N N 74 116.638 116.638 122.287 -5.649 18082 2210 1 6 . 1 1 74 74 ARG HA H 74 4.086 4.086 4.261 -0.175 18082 2211 1 6 . 1 1 74 74 ARG CA C 74 58.442 58.442 55.741 2.701 18082 2212 1 6 . 1 1 74 74 ARG CB C 74 30.239 30.239 28.614 1.625 18082 2213 1 6 . 1 1 74 74 ARG H H 74 7.378 7.378 8.190 -0.812 18082 2214 1 6 . 1 1 75 75 LYS N N 75 118.910 118.910 124.121 -5.211 18082 2215 1 6 . 1 1 75 75 LYS HA H 75 4.208 4.208 4.500 -0.292 18082 2216 1 6 . 1 1 75 75 LYS CA C 75 57.508 57.508 55.700 1.808 18082 2217 1 6 . 1 1 75 75 LYS CB C 75 32.532 32.532 33.790 -1.258 18082 2218 1 6 . 1 1 75 75 LYS H H 75 7.779 7.779 7.923 -0.144 18082 2219 1 6 . 1 1 76 76 MET N N 76 117.825 117.825 119.820 -1.995 18082 2220 1 6 . 1 1 76 76 MET HA H 76 4.353 4.353 4.465 -0.112 18082 2221 1 6 . 1 1 76 76 MET CA C 76 56.880 56.880 55.606 1.274 18082 2222 1 6 . 1 1 76 76 MET CB C 76 32.784 32.784 33.302 -0.518 18082 2223 1 6 . 1 1 76 76 MET H H 76 7.789 7.789 8.389 -0.600 18082 2224 1 6 . 1 1 77 77 LYS N N 77 119.283 119.283 119.463 -0.180 18082 2225 1 6 . 1 1 77 77 LYS HA H 77 4.355 4.355 4.391 -0.036 18082 2226 1 6 . 1 1 77 77 LYS CA C 77 56.490 56.490 56.449 0.041 18082 2227 1 6 . 1 1 77 77 LYS CB C 77 33.115 33.115 32.571 0.544 18082 2228 1 6 . 1 1 77 77 LYS H H 77 7.711 7.711 8.472 -0.761 18082 2229 1 6 . 1 1 78 78 ASP N N 78 121.107 121.107 119.774 1.333 18082 2230 1 6 . 1 1 78 78 ASP HA H 78 4.695 4.695 4.737 -0.042 18082 2231 1 6 . 1 1 78 78 ASP CA C 78 54.680 54.680 53.686 0.994 18082 2232 1 6 . 1 1 78 78 ASP CB C 78 41.207 41.207 41.326 -0.119 18082 2233 1 6 . 1 1 78 78 ASP H H 78 8.089 8.089 7.852 0.237 18082 2234 1 6 . 1 1 79 79 THR N N 79 112.761 112.761 115.868 -3.107 18082 2235 1 6 . 1 1 79 79 THR HA H 79 4.390 4.390 4.463 -0.073 18082 2236 1 6 . 1 1 79 79 THR CA C 79 61.469 61.469 62.065 -0.596 18082 2237 1 6 . 1 1 79 79 THR CB C 79 70.178 70.178 69.262 0.916 18082 2238 1 6 . 1 1 79 79 THR H H 79 7.935 7.935 8.191 -0.256 18082 2239 1 7 . 1 1 2 2 ASP N N 2 117.390 117.390 120.327 -2.937 18082 2240 1 7 . 1 1 2 2 ASP HA H 2 4.521 4.521 4.663 -0.142 18082 2241 1 7 . 1 1 2 2 ASP CA C 2 55.014 55.014 54.743 0.271 18082 2242 1 7 . 1 1 2 2 ASP CB C 2 40.955 40.955 40.582 0.373 18082 2243 1 7 . 1 1 2 2 ASP H H 2 8.039 8.039 8.206 -0.167 18082 2244 1 7 . 1 1 3 3 GLN N N 3 118.072 118.072 123.931 -5.859 18082 2245 1 7 . 1 1 3 3 GLN HA H 3 4.357 4.357 4.350 0.007 18082 2246 1 7 . 1 1 3 3 GLN CA C 3 55.636 55.636 56.383 -0.747 18082 2247 1 7 . 1 1 3 3 GLN CB C 3 29.695 29.695 30.401 -0.707 18082 2248 1 7 . 1 1 3 3 GLN H H 3 7.949 7.949 8.124 -0.175 18082 2249 1 7 . 1 1 4 4 LEU N N 4 121.793 121.793 123.064 -1.271 18082 2250 1 7 . 1 1 4 4 LEU HA H 4 4.692 4.692 4.539 0.153 18082 2251 1 7 . 1 1 4 4 LEU CA C 4 54.358 54.358 55.049 -0.691 18082 2252 1 7 . 1 1 4 4 LEU CB C 4 43.712 43.712 41.642 2.070 18082 2253 1 7 . 1 1 4 4 LEU H H 4 7.841 7.841 8.463 -0.622 18082 2254 1 7 . 1 1 5 5 THR N N 5 112.587 112.587 113.750 -1.163 18082 2255 1 7 . 1 1 5 5 THR HA H 5 4.772 4.772 4.110 0.662 18082 2256 1 7 . 1 1 5 5 THR CA C 5 60.388 60.388 62.331 -1.943 18082 2257 1 7 . 1 1 5 5 THR CB C 5 71.243 71.243 68.998 2.245 18082 2258 1 7 . 1 1 5 5 THR H H 5 8.625 8.625 7.760 0.865 18082 2259 1 7 . 1 1 6 6 GLU N N 6 120.574 120.574 120.369 0.205 18082 2260 1 7 . 1 1 6 6 GLU HA H 6 3.976 3.976 4.155 -0.179 18082 2261 1 7 . 1 1 6 6 GLU CA C 6 60.180 60.180 57.120 3.061 18082 2262 1 7 . 1 1 6 6 GLU CB C 6 29.285 29.285 29.372 -0.087 18082 2263 1 7 . 1 1 6 6 GLU H H 6 8.995 8.995 8.732 0.263 18082 2264 1 7 . 1 1 7 7 GLU N N 7 119.338 119.338 119.712 -0.374 18082 2265 1 7 . 1 1 7 7 GLU HA H 7 4.063 4.063 4.335 -0.272 18082 2266 1 7 . 1 1 7 7 GLU CA C 7 60.062 60.062 57.365 2.697 18082 2267 1 7 . 1 1 7 7 GLU CB C 7 29.198 29.198 29.773 -0.575 18082 2268 1 7 . 1 1 7 7 GLU H H 7 8.678 8.678 8.224 0.454 18082 2269 1 7 . 1 1 8 8 GLN N N 8 120.308 120.308 118.957 1.351 18082 2270 1 7 . 1 1 8 8 GLN HA H 8 3.874 3.874 3.955 -0.081 18082 2271 1 7 . 1 1 8 8 GLN CA C 8 58.626 58.626 57.471 1.155 18082 2272 1 7 . 1 1 8 8 GLN CB C 8 29.201 29.201 28.768 0.433 18082 2273 1 7 . 1 1 8 8 GLN H H 8 7.684 7.684 8.100 -0.416 18082 2274 1 7 . 1 1 9 9 ILE N N 9 119.371 119.371 120.070 -0.699 18082 2275 1 7 . 1 1 9 9 ILE HA H 9 3.675 3.675 3.539 0.136 18082 2276 1 7 . 1 1 9 9 ILE CA C 9 66.241 66.241 64.481 1.760 18082 2277 1 7 . 1 1 9 9 ILE CB C 9 37.702 37.702 37.245 0.457 18082 2278 1 7 . 1 1 9 9 ILE H H 9 8.339 8.339 7.846 0.493 18082 2279 1 7 . 1 1 10 10 ALA N N 10 121.339 121.339 121.494 -0.155 18082 2280 1 7 . 1 1 10 10 ALA HA H 10 4.118 4.118 4.005 0.113 18082 2281 1 7 . 1 1 10 10 ALA CA C 10 55.648 55.648 55.020 0.628 18082 2282 1 7 . 1 1 10 10 ALA CB C 10 17.908 17.908 17.844 0.064 18082 2283 1 7 . 1 1 10 10 ALA H H 10 8.048 8.048 8.147 -0.099 18082 2284 1 7 . 1 1 11 11 GLU N N 11 119.886 119.886 117.634 2.252 18082 2285 1 7 . 1 1 11 11 GLU HA H 11 4.187 4.187 4.203 -0.016 18082 2286 1 7 . 1 1 11 11 GLU CA C 11 59.577 59.577 57.818 1.759 18082 2287 1 7 . 1 1 11 11 GLU CB C 11 29.306 29.306 29.415 -0.109 18082 2288 1 7 . 1 1 11 11 GLU H H 11 7.792 7.792 7.467 0.325 18082 2289 1 7 . 1 1 12 12 PHE N N 12 119.957 119.957 119.161 0.796 18082 2290 1 7 . 1 1 12 12 PHE HA H 12 5.011 5.011 4.465 0.546 18082 2291 1 7 . 1 1 12 12 PHE CA C 12 59.173 59.173 58.553 0.620 18082 2292 1 7 . 1 1 12 12 PHE CB C 12 37.617 37.617 38.573 -0.956 18082 2293 1 7 . 1 1 12 12 PHE H H 12 8.527 8.527 7.444 1.083 18082 2294 1 7 . 1 1 13 13 LYS N N 13 123.937 123.937 119.531 4.406 18082 2295 1 7 . 1 1 13 13 LYS HA H 13 4.015 4.015 4.004 0.011 18082 2296 1 7 . 1 1 13 13 LYS CA C 13 60.169 60.169 59.648 0.521 18082 2297 1 7 . 1 1 13 13 LYS CB C 13 31.986 31.986 32.104 -0.118 18082 2298 1 7 . 1 1 13 13 LYS H H 13 9.246 9.246 8.392 0.854 18082 2299 1 7 . 1 1 14 14 GLU N N 14 120.885 120.885 118.902 1.983 18082 2300 1 7 . 1 1 14 14 GLU HA H 14 4.130 4.130 4.140 -0.010 18082 2301 1 7 . 1 1 14 14 GLU CA C 14 59.653 59.653 58.848 0.805 18082 2302 1 7 . 1 1 14 14 GLU CB C 14 29.125 29.125 29.120 0.005 18082 2303 1 7 . 1 1 14 14 GLU H H 14 7.956 7.956 7.833 0.122 18082 2304 1 7 . 1 1 15 15 ALA N N 15 121.878 121.878 121.639 0.239 18082 2305 1 7 . 1 1 15 15 ALA HA H 15 4.257 4.257 4.182 0.075 18082 2306 1 7 . 1 1 15 15 ALA CA C 15 55.565 55.565 54.806 0.759 18082 2307 1 7 . 1 1 15 15 ALA CB C 15 18.237 18.237 18.014 0.223 18082 2308 1 7 . 1 1 15 15 ALA H H 15 8.129 8.129 7.446 0.683 18082 2309 1 7 . 1 1 16 16 PHE N N 16 118.993 118.993 113.186 5.807 18082 2310 1 7 . 1 1 16 16 PHE HA H 16 3.326 3.326 4.559 -1.233 18082 2311 1 7 . 1 1 16 16 PHE CA C 16 62.270 62.270 57.629 4.641 18082 2312 1 7 . 1 1 16 16 PHE CB C 16 39.695 39.695 37.995 1.700 18082 2313 1 7 . 1 1 16 16 PHE H H 16 8.800 8.800 7.191 1.609 18082 2314 1 7 . 1 1 17 17 SER N N 17 113.609 113.609 114.253 -0.644 18082 2315 1 7 . 1 1 17 17 SER HA H 17 4.166 4.166 4.588 -0.422 18082 2316 1 7 . 1 1 17 17 SER CA C 17 61.564 61.564 60.516 1.048 18082 2317 1 7 . 1 1 17 17 SER CB C 17 63.457 63.457 64.838 -1.381 18082 2318 1 7 . 1 1 17 17 SER H H 17 8.062 8.062 7.250 0.812 18082 2319 1 7 . 1 1 18 18 LEU N N 18 120.325 120.325 120.700 -0.375 18082 2320 1 7 . 1 1 18 18 LEU HA H 18 4.005 4.005 4.284 -0.279 18082 2321 1 7 . 1 1 18 18 LEU CA C 18 57.028 57.028 57.221 -0.193 18082 2322 1 7 . 1 1 18 18 LEU CB C 18 41.523 41.523 42.386 -0.863 18082 2323 1 7 . 1 1 18 18 LEU H H 18 7.452 7.452 8.372 -0.920 18082 2324 1 7 . 1 1 19 19 PHE N N 19 113.738 113.738 120.291 -6.553 18082 2325 1 7 . 1 1 19 19 PHE HA H 19 4.245 4.245 4.324 -0.079 18082 2326 1 7 . 1 1 19 19 PHE CA C 19 59.530 59.530 59.976 -0.446 18082 2327 1 7 . 1 1 19 19 PHE CB C 19 41.928 41.928 40.258 1.670 18082 2328 1 7 . 1 1 19 19 PHE H H 19 7.187 7.187 7.633 -0.446 18082 2329 1 7 . 1 1 20 20 ASP N N 20 116.566 116.566 117.456 -0.890 18082 2330 1 7 . 1 1 20 20 ASP HA H 20 4.565 4.565 4.626 -0.061 18082 2331 1 7 . 1 1 20 20 ASP CA C 20 52.488 52.488 53.985 -1.497 18082 2332 1 7 . 1 1 20 20 ASP CB C 20 39.280 39.280 42.544 -3.264 18082 2333 1 7 . 1 1 20 20 ASP H H 20 7.733 7.733 7.907 -0.174 18082 2334 1 7 . 1 1 21 21 LYS N N 21 124.387 124.387 123.838 0.549 18082 2335 1 7 . 1 1 21 21 LYS HA H 21 3.987 3.987 4.372 -0.385 18082 2336 1 7 . 1 1 21 21 LYS CA C 21 58.353 58.353 56.795 1.558 18082 2337 1 7 . 1 1 21 21 LYS CB C 21 32.514 32.514 32.960 -0.446 18082 2338 1 7 . 1 1 21 21 LYS H H 21 7.668 7.668 8.514 -0.846 18082 2339 1 7 . 1 1 22 22 ASP N N 22 114.142 114.142 118.067 -3.925 18082 2340 1 7 . 1 1 22 22 ASP HA H 22 4.594 4.594 4.653 -0.059 18082 2341 1 7 . 1 1 22 22 ASP CA C 22 52.934 52.934 54.817 -1.883 18082 2342 1 7 . 1 1 22 22 ASP CB C 22 39.645 39.645 41.584 -1.939 18082 2343 1 7 . 1 1 22 22 ASP H H 22 8.135 8.135 8.487 -0.352 18082 2344 1 7 . 1 1 23 23 GLY N N 23 109.286 109.286 108.735 0.551 18082 2345 1 7 . 1 1 23 23 GLY CA C 23 47.308 47.308 45.340 1.968 18082 2346 1 7 . 1 1 23 23 GLY H H 23 7.683 7.683 8.784 -1.101 18082 2347 1 7 . 1 1 24 24 ASP N N 24 120.949 120.949 121.810 -0.861 18082 2348 1 7 . 1 1 24 24 ASP HA H 24 4.525 4.525 4.601 -0.076 18082 2349 1 7 . 1 1 24 24 ASP CA C 24 53.891 53.891 54.503 -0.612 18082 2350 1 7 . 1 1 24 24 ASP CB C 24 40.513 40.513 41.341 -0.828 18082 2351 1 7 . 1 1 24 24 ASP H H 24 8.477 8.477 8.120 0.357 18082 2352 1 7 . 1 1 25 25 GLY N N 25 112.905 112.905 110.270 2.635 18082 2353 1 7 . 1 1 25 25 GLY CA C 25 45.496 45.496 45.993 -0.498 18082 2354 1 7 . 1 1 25 25 GLY H H 25 10.567 10.567 9.013 1.554 18082 2355 1 7 . 1 1 26 26 THR N N 26 112.165 112.165 118.513 -6.348 18082 2356 1 7 . 1 1 26 26 THR HA H 26 5.421 5.421 4.188 1.233 18082 2357 1 7 . 1 1 26 26 THR CA C 26 59.692 59.692 63.610 -3.918 18082 2358 1 7 . 1 1 26 26 THR CB C 26 72.792 72.792 68.587 4.205 18082 2359 1 7 . 1 1 26 26 THR H H 26 8.238 8.238 7.711 0.527 18082 2360 1 7 . 1 1 27 27 ILE N N 27 126.801 126.801 129.205 -2.404 18082 2361 1 7 . 1 1 27 27 ILE HA H 27 4.846 4.846 4.156 0.690 18082 2362 1 7 . 1 1 27 27 ILE CA C 27 61.302 61.302 62.703 -1.401 18082 2363 1 7 . 1 1 27 27 ILE CB C 27 40.312 40.312 36.923 3.389 18082 2364 1 7 . 1 1 27 27 ILE H H 27 9.970 9.970 8.120 1.850 18082 2365 1 7 . 1 1 28 28 THR N N 28 116.315 116.315 122.293 -5.978 18082 2366 1 7 . 1 1 28 28 THR HA H 28 4.921 4.921 4.933 -0.012 18082 2367 1 7 . 1 1 28 28 THR CA C 28 59.359 59.359 60.211 -0.852 18082 2368 1 7 . 1 1 28 28 THR CB C 28 72.614 72.614 72.180 0.434 18082 2369 1 7 . 1 1 28 28 THR H H 28 8.356 8.356 8.275 0.081 18082 2370 1 7 . 1 1 29 29 THR N N 29 113.124 113.124 117.325 -4.201 18082 2371 1 7 . 1 1 29 29 THR HA H 29 3.748 3.748 3.932 -0.184 18082 2372 1 7 . 1 1 29 29 THR CA C 29 66.445 66.445 66.492 -0.047 18082 2373 1 7 . 1 1 29 29 THR CB C 29 68.069 68.069 68.359 -0.290 18082 2374 1 7 . 1 1 29 29 THR H H 29 9.115 9.115 8.949 0.166 18082 2375 1 7 . 1 1 30 30 LYS N N 30 120.485 120.485 123.082 -2.597 18082 2376 1 7 . 1 1 30 30 LYS HA H 30 4.106 4.106 3.987 0.119 18082 2377 1 7 . 1 1 30 30 LYS CA C 30 59.216 59.216 59.835 -0.619 18082 2378 1 7 . 1 1 30 30 LYS CB C 30 32.546 32.546 32.094 0.452 18082 2379 1 7 . 1 1 30 30 LYS H H 30 7.639 7.639 8.368 -0.729 18082 2380 1 7 . 1 1 31 31 GLU N N 31 121.786 121.786 118.930 2.856 18082 2381 1 7 . 1 1 31 31 GLU HA H 31 4.003 4.003 4.016 -0.013 18082 2382 1 7 . 1 1 31 31 GLU CA C 31 59.642 59.642 58.399 1.243 18082 2383 1 7 . 1 1 31 31 GLU CB C 31 29.605 29.605 29.177 0.428 18082 2384 1 7 . 1 1 31 31 GLU H H 31 7.693 7.693 7.783 -0.090 18082 2385 1 7 . 1 1 32 32 LEU N N 32 120.699 120.699 120.648 0.051 18082 2386 1 7 . 1 1 32 32 LEU HA H 32 4.093 4.093 4.380 -0.286 18082 2387 1 7 . 1 1 32 32 LEU CA C 32 58.340 58.340 57.885 0.455 18082 2388 1 7 . 1 1 32 32 LEU CB C 32 42.173 42.173 41.991 0.182 18082 2389 1 7 . 1 1 32 32 LEU H H 32 8.585 8.585 7.703 0.882 18082 2390 1 7 . 1 1 33 33 GLY N N 33 106.061 106.061 104.840 1.221 18082 2391 1 7 . 1 1 33 33 GLY CA C 33 48.681 48.681 47.438 1.243 18082 2392 1 7 . 1 1 33 33 GLY H H 33 8.715 8.715 8.496 0.219 18082 2393 1 7 . 1 1 34 34 THR N N 34 118.195 118.195 115.860 2.335 18082 2394 1 7 . 1 1 34 34 THR HA H 34 3.929 3.929 3.912 0.017 18082 2395 1 7 . 1 1 34 34 THR CA C 34 66.961 66.961 65.463 1.498 18082 2396 1 7 . 1 1 34 34 THR CB C 34 68.764 68.764 68.513 0.251 18082 2397 1 7 . 1 1 34 34 THR H H 34 7.947 7.947 7.621 0.326 18082 2398 1 7 . 1 1 35 35 VAL N N 35 122.412 122.412 121.364 1.048 18082 2399 1 7 . 1 1 35 35 VAL HA H 35 3.609 3.609 3.786 -0.177 18082 2400 1 7 . 1 1 35 35 VAL CA C 35 66.554 66.554 65.053 1.501 18082 2401 1 7 . 1 1 35 35 VAL CB C 35 31.479 31.479 31.469 0.010 18082 2402 1 7 . 1 1 35 35 VAL H H 35 7.760 7.760 7.298 0.462 18082 2403 1 7 . 1 1 36 36 MET N N 36 118.407 118.407 117.818 0.589 18082 2404 1 7 . 1 1 36 36 MET HA H 36 4.104 4.104 4.056 0.048 18082 2405 1 7 . 1 1 36 36 MET CA C 36 58.532 58.532 59.354 -0.822 18082 2406 1 7 . 1 1 36 36 MET CB C 36 30.782 30.782 32.058 -1.276 18082 2407 1 7 . 1 1 36 36 MET H H 36 8.583 8.583 7.501 1.082 18082 2408 1 7 . 1 1 37 37 ARG N N 37 119.070 119.070 120.089 -1.019 18082 2409 1 7 . 1 1 37 37 ARG HA H 37 4.789 4.789 4.010 0.779 18082 2410 1 7 . 1 1 37 37 ARG CA C 37 59.141 59.141 59.735 -0.594 18082 2411 1 7 . 1 1 37 37 ARG CB C 37 30.019 30.019 30.209 -0.190 18082 2412 1 7 . 1 1 37 37 ARG H H 37 8.499 8.499 8.725 -0.226 18082 2413 1 7 . 1 1 38 38 SER N N 38 118.897 118.897 114.232 4.665 18082 2414 1 7 . 1 1 38 38 SER HA H 38 4.417 4.417 4.390 0.027 18082 2415 1 7 . 1 1 38 38 SER CA C 38 61.450 61.450 59.762 1.688 18082 2416 1 7 . 1 1 38 38 SER CB C 38 62.846 62.846 63.463 -0.617 18082 2417 1 7 . 1 1 38 38 SER H H 38 7.965 7.965 7.694 0.271 18082 2418 1 7 . 1 1 39 39 LEU N N 39 120.765 120.765 122.196 -1.431 18082 2419 1 7 . 1 1 39 39 LEU HA H 39 4.489 4.489 4.447 0.042 18082 2420 1 7 . 1 1 39 39 LEU CA C 39 54.576 54.576 56.001 -1.425 18082 2421 1 7 . 1 1 39 39 LEU CB C 39 41.963 41.963 43.370 -1.407 18082 2422 1 7 . 1 1 39 39 LEU H H 39 7.387 7.387 7.518 -0.131 18082 2423 1 7 . 1 1 40 40 GLY N N 40 107.022 107.022 105.667 1.355 18082 2424 1 7 . 1 1 40 40 GLY CA C 40 45.637 45.637 45.320 0.317 18082 2425 1 7 . 1 1 40 40 GLY H H 40 7.889 7.889 8.090 -0.201 18082 2426 1 7 . 1 1 41 41 GLN N N 41 118.231 118.231 117.977 0.254 18082 2427 1 7 . 1 1 41 41 GLN HA H 41 4.495 4.495 3.828 0.667 18082 2428 1 7 . 1 1 41 41 GLN CA C 41 54.440 54.440 56.108 -1.669 18082 2429 1 7 . 1 1 41 41 GLN CB C 41 30.703 30.703 28.678 2.025 18082 2430 1 7 . 1 1 41 41 GLN H H 41 7.747 7.747 7.801 -0.054 18082 2431 1 7 . 1 1 42 42 ASN N N 42 116.416 116.416 122.655 -6.239 18082 2432 1 7 . 1 1 42 42 ASN CA C 42 51.308 51.308 50.464 0.844 18082 2433 1 7 . 1 1 42 42 ASN CB C 42 39.272 39.272 39.702 -0.430 18082 2434 1 7 . 1 1 42 42 ASN H H 42 8.663 8.663 8.719 -0.056 18082 2435 1 7 . 1 1 43 43 PRO HA H 43 4.742 4.742 4.585 0.157 18082 2436 1 7 . 1 1 43 43 PRO CA C 43 62.393 62.393 62.580 -0.187 18082 2437 1 7 . 1 1 43 43 PRO CB C 43 31.969 31.969 32.736 -0.767 18082 2438 1 7 . 1 1 44 44 THR N N 44 112.768 112.768 112.297 0.471 18082 2439 1 7 . 1 1 44 44 THR HA H 44 4.723 4.723 4.325 0.398 18082 2440 1 7 . 1 1 44 44 THR CA C 44 60.656 60.656 61.459 -0.803 18082 2441 1 7 . 1 1 44 44 THR CB C 44 71.220 71.220 70.225 0.994 18082 2442 1 7 . 1 1 44 44 THR H H 44 8.790 8.790 8.749 0.041 18082 2443 1 7 . 1 1 45 45 GLU N N 45 120.454 120.454 121.488 -1.034 18082 2444 1 7 . 1 1 45 45 GLU HA H 45 3.970 3.970 4.043 -0.073 18082 2445 1 7 . 1 1 45 45 GLU CA C 45 60.178 60.178 59.930 0.248 18082 2446 1 7 . 1 1 45 45 GLU CB C 45 29.056 29.056 28.944 0.112 18082 2447 1 7 . 1 1 45 45 GLU H H 45 8.771 8.771 8.912 -0.141 18082 2448 1 7 . 1 1 46 46 ALA N N 46 120.779 120.779 122.680 -1.901 18082 2449 1 7 . 1 1 46 46 ALA HA H 46 4.105 4.105 4.115 -0.010 18082 2450 1 7 . 1 1 46 46 ALA CA C 46 55.119 55.119 54.991 0.128 18082 2451 1 7 . 1 1 46 46 ALA CB C 46 18.275 18.275 18.152 0.123 18082 2452 1 7 . 1 1 46 46 ALA H H 46 8.187 8.187 8.185 0.002 18082 2453 1 7 . 1 1 47 47 GLU N N 47 118.876 118.876 118.910 -0.034 18082 2454 1 7 . 1 1 47 47 GLU HA H 47 3.988 3.988 4.017 -0.029 18082 2455 1 7 . 1 1 47 47 GLU CA C 47 59.179 59.179 58.961 0.218 18082 2456 1 7 . 1 1 47 47 GLU CB C 47 29.871 29.871 29.565 0.306 18082 2457 1 7 . 1 1 47 47 GLU H H 47 7.628 7.628 7.690 -0.062 18082 2458 1 7 . 1 1 48 48 LEU N N 48 119.668 119.668 120.332 -0.664 18082 2459 1 7 . 1 1 48 48 LEU HA H 48 3.952 3.952 4.077 -0.125 18082 2460 1 7 . 1 1 48 48 LEU CA C 48 57.831 57.831 57.706 0.125 18082 2461 1 7 . 1 1 48 48 LEU CB C 48 42.435 42.435 42.048 0.387 18082 2462 1 7 . 1 1 48 48 LEU H H 48 8.104 8.104 7.804 0.300 18082 2463 1 7 . 1 1 49 49 GLN N N 49 118.133 118.133 118.863 -0.730 18082 2464 1 7 . 1 1 49 49 GLN HA H 49 3.851 3.851 3.958 -0.107 18082 2465 1 7 . 1 1 49 49 GLN CA C 49 58.616 58.616 59.098 -0.482 18082 2466 1 7 . 1 1 49 49 GLN CB C 49 28.202 28.202 28.500 -0.298 18082 2467 1 7 . 1 1 49 49 GLN H H 49 8.168 8.168 8.091 0.077 18082 2468 1 7 . 1 1 50 50 ASP N N 50 120.259 120.259 120.006 0.253 18082 2469 1 7 . 1 1 50 50 ASP HA H 50 4.459 4.459 4.413 0.046 18082 2470 1 7 . 1 1 50 50 ASP CA C 50 57.787 57.787 56.813 0.974 18082 2471 1 7 . 1 1 50 50 ASP CB C 50 40.475 40.475 40.715 -0.240 18082 2472 1 7 . 1 1 50 50 ASP H H 50 8.053 8.053 7.960 0.093 18082 2473 1 7 . 1 1 51 51 MET N N 51 119.290 119.290 117.683 1.607 18082 2474 1 7 . 1 1 51 51 MET HA H 51 4.095 4.095 4.235 -0.140 18082 2475 1 7 . 1 1 51 51 MET CA C 51 60.031 60.031 57.981 2.050 18082 2476 1 7 . 1 1 51 51 MET CB C 51 33.629 33.629 32.212 1.417 18082 2477 1 7 . 1 1 51 51 MET H H 51 7.948 7.948 7.486 0.462 18082 2478 1 7 . 1 1 52 52 ILE N N 52 119.018 119.018 118.770 0.248 18082 2479 1 7 . 1 1 52 52 ILE HA H 52 3.942 3.942 3.936 0.006 18082 2480 1 7 . 1 1 52 52 ILE CA C 52 63.568 63.568 62.889 0.679 18082 2481 1 7 . 1 1 52 52 ILE CB C 52 36.623 36.623 37.697 -1.073 18082 2482 1 7 . 1 1 52 52 ILE H H 52 7.793 7.793 7.550 0.243 18082 2483 1 7 . 1 1 53 53 ASN N N 53 118.406 118.406 117.146 1.260 18082 2484 1 7 . 1 1 53 53 ASN HA H 53 4.427 4.427 4.564 -0.137 18082 2485 1 7 . 1 1 53 53 ASN CA C 53 56.145 56.145 55.278 0.867 18082 2486 1 7 . 1 1 53 53 ASN CB C 53 38.100 38.100 38.607 -0.507 18082 2487 1 7 . 1 1 53 53 ASN H H 53 8.853 8.853 7.698 1.155 18082 2488 1 7 . 1 1 54 54 GLU N N 54 116.393 116.393 118.875 -2.482 18082 2489 1 7 . 1 1 54 54 GLU HA H 54 4.064 4.064 4.366 -0.302 18082 2490 1 7 . 1 1 54 54 GLU CA C 54 59.025 59.025 57.095 1.930 18082 2491 1 7 . 1 1 54 54 GLU CB C 54 30.347 30.347 30.028 0.319 18082 2492 1 7 . 1 1 54 54 GLU H H 54 7.723 7.723 7.616 0.107 18082 2493 1 7 . 1 1 55 55 VAL N N 55 112.052 112.052 118.436 -6.384 18082 2494 1 7 . 1 1 55 55 VAL HA H 55 4.206 4.206 4.268 -0.062 18082 2495 1 7 . 1 1 55 55 VAL CA C 55 60.952 60.952 61.691 -0.739 18082 2496 1 7 . 1 1 55 55 VAL CB C 55 33.117 33.117 33.234 -0.117 18082 2497 1 7 . 1 1 55 55 VAL H H 55 7.154 7.154 7.161 -0.007 18082 2498 1 7 . 1 1 56 56 ASP N N 56 121.462 121.462 121.320 0.142 18082 2499 1 7 . 1 1 56 56 ASP HA H 56 4.483 4.483 4.778 -0.295 18082 2500 1 7 . 1 1 56 56 ASP CA C 56 53.871 53.871 53.754 0.117 18082 2501 1 7 . 1 1 56 56 ASP CB C 56 40.414 40.414 41.896 -1.482 18082 2502 1 7 . 1 1 56 56 ASP H H 56 7.652 7.652 7.704 -0.052 18082 2503 1 7 . 1 1 57 57 ALA N N 57 131.294 131.294 127.556 3.738 18082 2504 1 7 . 1 1 57 57 ALA HA H 57 4.216 4.216 4.090 0.126 18082 2505 1 7 . 1 1 57 57 ALA CA C 57 54.533 54.533 54.261 0.272 18082 2506 1 7 . 1 1 57 57 ALA CB C 57 19.810 19.810 19.073 0.737 18082 2507 1 7 . 1 1 57 57 ALA H H 57 8.067 8.067 8.577 -0.510 18082 2508 1 7 . 1 1 58 58 ASP N N 58 113.873 113.873 116.446 -2.573 18082 2509 1 7 . 1 1 58 58 ASP HA H 58 4.652 4.652 4.472 0.180 18082 2510 1 7 . 1 1 58 58 ASP CA C 58 52.885 52.885 53.828 -0.943 18082 2511 1 7 . 1 1 58 58 ASP CB C 58 39.916 39.916 40.335 -0.419 18082 2512 1 7 . 1 1 58 58 ASP H H 58 8.236 8.236 8.114 0.122 18082 2513 1 7 . 1 1 59 59 GLY N N 59 108.338 108.338 109.546 -1.208 18082 2514 1 7 . 1 1 59 59 GLY CA C 59 47.252 47.252 45.432 1.820 18082 2515 1 7 . 1 1 59 59 GLY H H 59 7.574 7.574 7.756 -0.182 18082 2516 1 7 . 1 1 60 60 ASN N N 60 118.885 118.885 118.585 0.300 18082 2517 1 7 . 1 1 60 60 ASN HA H 60 4.628 4.628 4.788 -0.160 18082 2518 1 7 . 1 1 60 60 ASN CA C 60 52.889 52.889 52.842 0.047 18082 2519 1 7 . 1 1 60 60 ASN CB C 60 37.683 37.683 40.397 -2.714 18082 2520 1 7 . 1 1 60 60 ASN H H 60 8.167 8.167 9.357 -1.190 18082 2521 1 7 . 1 1 61 61 GLY N N 61 113.590 113.590 110.936 2.654 18082 2522 1 7 . 1 1 61 61 GLY CA C 61 45.648 45.648 45.489 0.159 18082 2523 1 7 . 1 1 61 61 GLY H H 61 10.620 10.620 9.055 1.565 18082 2524 1 7 . 1 1 62 62 THR N N 62 108.235 108.235 113.613 -5.378 18082 2525 1 7 . 1 1 62 62 THR HA H 62 4.822 4.822 5.078 -0.256 18082 2526 1 7 . 1 1 62 62 THR CA C 62 59.531 59.531 61.461 -1.930 18082 2527 1 7 . 1 1 62 62 THR CB C 62 72.479 72.479 72.383 0.096 18082 2528 1 7 . 1 1 62 62 THR H H 62 7.671 7.671 7.942 -0.271 18082 2529 1 7 . 1 1 63 63 ILE N N 63 124.438 124.438 125.720 -1.282 18082 2530 1 7 . 1 1 63 63 ILE HA H 63 5.357 5.357 4.816 0.541 18082 2531 1 7 . 1 1 63 63 ILE CA C 63 58.123 58.123 60.502 -2.380 18082 2532 1 7 . 1 1 63 63 ILE CB C 63 38.406 38.406 40.427 -2.021 18082 2533 1 7 . 1 1 63 63 ILE H H 63 8.816 8.816 8.283 0.533 18082 2534 1 7 . 1 1 64 64 ASP N N 64 128.393 128.393 128.045 0.348 18082 2535 1 7 . 1 1 64 64 ASP HA H 64 5.455 5.455 4.824 0.631 18082 2536 1 7 . 1 1 64 64 ASP CA C 64 51.924 51.924 53.119 -1.195 18082 2537 1 7 . 1 1 64 64 ASP CB C 64 42.237 42.237 43.524 -1.287 18082 2538 1 7 . 1 1 64 64 ASP H H 64 8.811 8.811 9.380 -0.569 18082 2539 1 7 . 1 1 65 65 PHE N N 65 118.159 118.159 119.728 -1.569 18082 2540 1 7 . 1 1 65 65 PHE HA H 65 3.993 3.993 4.449 -0.457 18082 2541 1 7 . 1 1 65 65 PHE CA C 65 63.050 63.050 62.503 0.547 18082 2542 1 7 . 1 1 65 65 PHE CB C 65 35.932 35.932 36.101 -0.169 18082 2543 1 7 . 1 1 65 65 PHE H H 65 8.926 8.926 8.980 -0.054 18082 2544 1 7 . 1 1 66 66 PRO HA H 66 3.827 3.827 4.313 -0.486 18082 2545 1 7 . 1 1 66 66 PRO CA C 66 66.950 66.950 66.030 0.920 18082 2546 1 7 . 1 1 66 66 PRO CB C 66 30.758 30.758 31.241 -0.483 18082 2547 1 7 . 1 1 67 67 GLU N N 67 117.916 117.916 118.183 -0.267 18082 2548 1 7 . 1 1 67 67 GLU HA H 67 3.988 3.988 4.133 -0.145 18082 2549 1 7 . 1 1 67 67 GLU CA C 67 59.100 59.100 59.260 -0.160 18082 2550 1 7 . 1 1 67 67 GLU CB C 67 29.855 29.855 29.299 0.556 18082 2551 1 7 . 1 1 67 67 GLU H H 67 8.267 8.267 8.316 -0.049 18082 2552 1 7 . 1 1 68 68 PHE N N 68 123.365 123.365 121.036 2.329 18082 2553 1 7 . 1 1 68 68 PHE HA H 68 3.632 3.632 4.089 -0.457 18082 2554 1 7 . 1 1 68 68 PHE CA C 68 61.413 61.413 61.166 0.247 18082 2555 1 7 . 1 1 68 68 PHE CB C 68 40.628 40.628 39.026 1.602 18082 2556 1 7 . 1 1 68 68 PHE H H 68 8.631 8.631 8.340 0.291 18082 2557 1 7 . 1 1 69 69 LEU N N 69 120.250 120.250 117.739 2.511 18082 2558 1 7 . 1 1 69 69 LEU HA H 69 3.304 3.304 4.063 -0.759 18082 2559 1 7 . 1 1 69 69 LEU CA C 69 57.940 57.940 57.539 0.401 18082 2560 1 7 . 1 1 69 69 LEU CB C 69 41.342 41.342 41.771 -0.429 18082 2561 1 7 . 1 1 69 69 LEU H H 69 9.006 9.006 7.851 1.155 18082 2562 1 7 . 1 1 70 70 THR N N 70 114.585 114.585 112.653 1.932 18082 2563 1 7 . 1 1 70 70 THR HA H 70 3.640 3.640 4.363 -0.723 18082 2564 1 7 . 1 1 70 70 THR CA C 70 66.819 66.819 64.294 2.525 18082 2565 1 7 . 1 1 70 70 THR CB C 70 68.615 68.615 69.541 -0.926 18082 2566 1 7 . 1 1 70 70 THR H H 70 7.671 7.671 7.775 -0.104 18082 2567 1 7 . 1 1 71 71 MET N N 71 120.319 120.319 123.737 -3.418 18082 2568 1 7 . 1 1 71 71 MET HA H 71 3.825 3.825 4.022 -0.197 18082 2569 1 7 . 1 1 71 71 MET CA C 71 58.513 58.513 58.196 0.317 18082 2570 1 7 . 1 1 71 71 MET CB C 71 30.796 30.796 32.364 -1.568 18082 2571 1 7 . 1 1 71 71 MET H H 71 7.095 7.095 7.987 -0.892 18082 2572 1 7 . 1 1 72 72 MET N N 72 118.715 118.715 114.692 4.023 18082 2573 1 7 . 1 1 72 72 MET HA H 72 3.802 3.802 4.324 -0.522 18082 2574 1 7 . 1 1 72 72 MET CA C 72 56.247 56.247 54.318 1.929 18082 2575 1 7 . 1 1 72 72 MET CB C 72 30.368 30.368 31.872 -1.504 18082 2576 1 7 . 1 1 72 72 MET H H 72 8.004 8.004 7.063 0.941 18082 2577 1 7 . 1 1 73 73 ALA N N 73 121.244 121.244 121.100 0.144 18082 2578 1 7 . 1 1 73 73 ALA HA H 73 4.028 4.028 4.536 -0.508 18082 2579 1 7 . 1 1 73 73 ALA CA C 73 54.594 54.594 52.181 2.413 18082 2580 1 7 . 1 1 73 73 ALA CB C 73 18.233 18.233 20.834 -2.601 18082 2581 1 7 . 1 1 73 73 ALA H H 73 8.298 8.298 7.547 0.751 18082 2582 1 7 . 1 1 74 74 ARG N N 74 116.638 116.638 121.648 -5.010 18082 2583 1 7 . 1 1 74 74 ARG HA H 74 4.086 4.086 4.436 -0.350 18082 2584 1 7 . 1 1 74 74 ARG CA C 74 58.442 58.442 55.255 3.187 18082 2585 1 7 . 1 1 74 74 ARG CB C 74 30.239 30.239 28.823 1.416 18082 2586 1 7 . 1 1 74 74 ARG H H 74 7.378 7.378 7.838 -0.460 18082 2587 1 7 . 1 1 75 75 LYS N N 75 118.910 118.910 123.048 -4.138 18082 2588 1 7 . 1 1 75 75 LYS HA H 75 4.208 4.208 4.553 -0.345 18082 2589 1 7 . 1 1 75 75 LYS CA C 75 57.508 57.508 54.959 2.549 18082 2590 1 7 . 1 1 75 75 LYS CB C 75 32.532 32.532 33.452 -0.920 18082 2591 1 7 . 1 1 75 75 LYS H H 75 7.779 7.779 7.813 -0.034 18082 2592 1 7 . 1 1 76 76 MET N N 76 117.825 117.825 119.216 -1.391 18082 2593 1 7 . 1 1 76 76 MET HA H 76 4.353 4.353 4.522 -0.169 18082 2594 1 7 . 1 1 76 76 MET CA C 76 56.880 56.880 55.691 1.189 18082 2595 1 7 . 1 1 76 76 MET CB C 76 32.784 32.784 33.424 -0.640 18082 2596 1 7 . 1 1 76 76 MET H H 76 7.789 7.789 8.336 -0.547 18082 2597 1 7 . 1 1 77 77 LYS N N 77 119.283 119.283 119.365 -0.082 18082 2598 1 7 . 1 1 77 77 LYS HA H 77 4.355 4.355 4.402 -0.047 18082 2599 1 7 . 1 1 77 77 LYS CA C 77 56.490 56.490 56.369 0.121 18082 2600 1 7 . 1 1 77 77 LYS CB C 77 33.115 33.115 32.935 0.180 18082 2601 1 7 . 1 1 77 77 LYS H H 77 7.711 7.711 8.466 -0.755 18082 2602 1 7 . 1 1 78 78 ASP N N 78 121.107 121.107 120.991 0.116 18082 2603 1 7 . 1 1 78 78 ASP HA H 78 4.695 4.695 4.609 0.086 18082 2604 1 7 . 1 1 78 78 ASP CA C 78 54.680 54.680 54.406 0.274 18082 2605 1 7 . 1 1 78 78 ASP CB C 78 41.207 41.207 41.403 -0.196 18082 2606 1 7 . 1 1 78 78 ASP H H 78 8.089 8.089 8.009 0.080 18082 2607 1 7 . 1 1 79 79 THR N N 79 112.761 112.761 117.517 -4.756 18082 2608 1 7 . 1 1 79 79 THR HA H 79 4.390 4.390 4.276 0.114 18082 2609 1 7 . 1 1 79 79 THR CA C 79 61.469 61.469 62.696 -1.227 18082 2610 1 7 . 1 1 79 79 THR CB C 79 70.178 70.178 69.068 1.110 18082 2611 1 7 . 1 1 79 79 THR H H 79 7.935 7.935 8.262 -0.327 18082 2612 1 8 . 1 1 2 2 ASP N N 2 117.390 117.390 119.588 -2.198 18082 2613 1 8 . 1 1 2 2 ASP HA H 2 4.521 4.521 4.707 -0.186 18082 2614 1 8 . 1 1 2 2 ASP CA C 2 55.014 55.014 54.556 0.458 18082 2615 1 8 . 1 1 2 2 ASP CB C 2 40.955 40.955 40.333 0.622 18082 2616 1 8 . 1 1 2 2 ASP H H 2 8.039 8.039 8.271 -0.232 18082 2617 1 8 . 1 1 3 3 GLN N N 3 118.072 118.072 123.596 -5.524 18082 2618 1 8 . 1 1 3 3 GLN HA H 3 4.357 4.357 4.489 -0.132 18082 2619 1 8 . 1 1 3 3 GLN CA C 3 55.636 55.636 56.307 -0.671 18082 2620 1 8 . 1 1 3 3 GLN CB C 3 29.695 29.695 29.989 -0.294 18082 2621 1 8 . 1 1 3 3 GLN H H 3 7.949 7.949 8.172 -0.223 18082 2622 1 8 . 1 1 4 4 LEU N N 4 121.793 121.793 122.230 -0.437 18082 2623 1 8 . 1 1 4 4 LEU HA H 4 4.692 4.692 4.579 0.113 18082 2624 1 8 . 1 1 4 4 LEU CA C 4 54.358 54.358 54.466 -0.108 18082 2625 1 8 . 1 1 4 4 LEU CB C 4 43.712 43.712 41.568 2.144 18082 2626 1 8 . 1 1 4 4 LEU H H 4 7.841 7.841 8.460 -0.619 18082 2627 1 8 . 1 1 5 5 THR N N 5 112.587 112.587 116.741 -4.154 18082 2628 1 8 . 1 1 5 5 THR HA H 5 4.772 4.772 4.281 0.491 18082 2629 1 8 . 1 1 5 5 THR CA C 5 60.388 60.388 62.960 -2.572 18082 2630 1 8 . 1 1 5 5 THR CB C 5 71.243 71.243 69.377 1.866 18082 2631 1 8 . 1 1 5 5 THR H H 5 8.625 8.625 7.797 0.828 18082 2632 1 8 . 1 1 6 6 GLU N N 6 120.574 120.574 120.168 0.406 18082 2633 1 8 . 1 1 6 6 GLU HA H 6 3.976 3.976 4.200 -0.224 18082 2634 1 8 . 1 1 6 6 GLU CA C 6 60.180 60.180 57.197 2.983 18082 2635 1 8 . 1 1 6 6 GLU CB C 6 29.285 29.285 29.370 -0.085 18082 2636 1 8 . 1 1 6 6 GLU H H 6 8.995 8.995 8.759 0.236 18082 2637 1 8 . 1 1 7 7 GLU N N 7 119.338 119.338 120.130 -0.792 18082 2638 1 8 . 1 1 7 7 GLU HA H 7 4.063 4.063 4.361 -0.298 18082 2639 1 8 . 1 1 7 7 GLU CA C 7 60.062 60.062 57.114 2.948 18082 2640 1 8 . 1 1 7 7 GLU CB C 7 29.198 29.198 29.595 -0.397 18082 2641 1 8 . 1 1 7 7 GLU H H 7 8.678 8.678 8.177 0.501 18082 2642 1 8 . 1 1 8 8 GLN N N 8 120.308 120.308 119.453 0.855 18082 2643 1 8 . 1 1 8 8 GLN HA H 8 3.874 3.874 4.045 -0.171 18082 2644 1 8 . 1 1 8 8 GLN CA C 8 58.626 58.626 57.898 0.728 18082 2645 1 8 . 1 1 8 8 GLN CB C 8 29.201 29.201 28.854 0.347 18082 2646 1 8 . 1 1 8 8 GLN H H 8 7.684 7.684 8.225 -0.541 18082 2647 1 8 . 1 1 9 9 ILE N N 9 119.371 119.371 119.585 -0.214 18082 2648 1 8 . 1 1 9 9 ILE HA H 9 3.675 3.675 3.846 -0.171 18082 2649 1 8 . 1 1 9 9 ILE CA C 9 66.241 66.241 64.326 1.915 18082 2650 1 8 . 1 1 9 9 ILE CB C 9 37.702 37.702 37.455 0.247 18082 2651 1 8 . 1 1 9 9 ILE H H 9 8.339 8.339 7.646 0.693 18082 2652 1 8 . 1 1 10 10 ALA N N 10 121.339 121.339 119.710 1.629 18082 2653 1 8 . 1 1 10 10 ALA HA H 10 4.118 4.118 4.043 0.075 18082 2654 1 8 . 1 1 10 10 ALA CA C 10 55.648 55.648 54.648 1.000 18082 2655 1 8 . 1 1 10 10 ALA CB C 10 17.908 17.908 18.266 -0.358 18082 2656 1 8 . 1 1 10 10 ALA H H 10 8.048 8.048 8.134 -0.086 18082 2657 1 8 . 1 1 11 11 GLU N N 11 119.886 119.886 116.726 3.160 18082 2658 1 8 . 1 1 11 11 GLU HA H 11 4.187 4.187 4.235 -0.048 18082 2659 1 8 . 1 1 11 11 GLU CA C 11 59.577 59.577 57.540 2.037 18082 2660 1 8 . 1 1 11 11 GLU CB C 11 29.306 29.306 29.945 -0.639 18082 2661 1 8 . 1 1 11 11 GLU H H 11 7.792 7.792 7.611 0.181 18082 2662 1 8 . 1 1 12 12 PHE N N 12 119.957 119.957 118.520 1.437 18082 2663 1 8 . 1 1 12 12 PHE HA H 12 5.011 5.011 4.523 0.488 18082 2664 1 8 . 1 1 12 12 PHE CA C 12 59.173 59.173 59.278 -0.105 18082 2665 1 8 . 1 1 12 12 PHE CB C 12 37.617 37.617 38.964 -1.347 18082 2666 1 8 . 1 1 12 12 PHE H H 12 8.527 8.527 7.340 1.187 18082 2667 1 8 . 1 1 13 13 LYS N N 13 123.937 123.937 119.348 4.589 18082 2668 1 8 . 1 1 13 13 LYS HA H 13 4.015 4.015 4.352 -0.337 18082 2669 1 8 . 1 1 13 13 LYS CA C 13 60.169 60.169 59.567 0.602 18082 2670 1 8 . 1 1 13 13 LYS CB C 13 31.986 31.986 32.157 -0.171 18082 2671 1 8 . 1 1 13 13 LYS H H 13 9.246 9.246 7.996 1.250 18082 2672 1 8 . 1 1 14 14 GLU N N 14 120.885 120.885 119.609 1.276 18082 2673 1 8 . 1 1 14 14 GLU HA H 14 4.130 4.130 4.157 -0.027 18082 2674 1 8 . 1 1 14 14 GLU CA C 14 59.653 59.653 58.625 1.028 18082 2675 1 8 . 1 1 14 14 GLU CB C 14 29.125 29.125 28.911 0.214 18082 2676 1 8 . 1 1 14 14 GLU H H 14 7.956 7.956 7.708 0.248 18082 2677 1 8 . 1 1 15 15 ALA N N 15 121.878 121.878 121.526 0.352 18082 2678 1 8 . 1 1 15 15 ALA HA H 15 4.257 4.257 4.027 0.230 18082 2679 1 8 . 1 1 15 15 ALA CA C 15 55.565 55.565 54.685 0.880 18082 2680 1 8 . 1 1 15 15 ALA CB C 15 18.237 18.237 17.813 0.424 18082 2681 1 8 . 1 1 15 15 ALA H H 15 8.129 8.129 7.304 0.825 18082 2682 1 8 . 1 1 16 16 PHE N N 16 118.993 118.993 111.682 7.311 18082 2683 1 8 . 1 1 16 16 PHE HA H 16 3.326 3.326 4.398 -1.072 18082 2684 1 8 . 1 1 16 16 PHE CA C 16 62.270 62.270 58.839 3.431 18082 2685 1 8 . 1 1 16 16 PHE CB C 16 39.695 39.695 38.048 1.647 18082 2686 1 8 . 1 1 16 16 PHE H H 16 8.800 8.800 7.664 1.136 18082 2687 1 8 . 1 1 17 17 SER N N 17 113.609 113.609 114.068 -0.459 18082 2688 1 8 . 1 1 17 17 SER HA H 17 4.166 4.166 4.570 -0.404 18082 2689 1 8 . 1 1 17 17 SER CA C 17 61.564 61.564 60.705 0.859 18082 2690 1 8 . 1 1 17 17 SER CB C 17 63.457 63.457 65.343 -1.886 18082 2691 1 8 . 1 1 17 17 SER H H 17 8.062 8.062 7.471 0.591 18082 2692 1 8 . 1 1 18 18 LEU N N 18 120.325 120.325 119.963 0.362 18082 2693 1 8 . 1 1 18 18 LEU HA H 18 4.005 4.005 4.451 -0.446 18082 2694 1 8 . 1 1 18 18 LEU CA C 18 57.028 57.028 56.621 0.407 18082 2695 1 8 . 1 1 18 18 LEU CB C 18 41.523 41.523 42.536 -1.014 18082 2696 1 8 . 1 1 18 18 LEU H H 18 7.452 7.452 8.301 -0.849 18082 2697 1 8 . 1 1 19 19 PHE N N 19 113.738 113.738 120.947 -7.209 18082 2698 1 8 . 1 1 19 19 PHE HA H 19 4.245 4.245 4.194 0.051 18082 2699 1 8 . 1 1 19 19 PHE CA C 19 59.530 59.530 60.656 -1.126 18082 2700 1 8 . 1 1 19 19 PHE CB C 19 41.928 41.928 39.808 2.120 18082 2701 1 8 . 1 1 19 19 PHE H H 19 7.187 7.187 7.709 -0.522 18082 2702 1 8 . 1 1 20 20 ASP N N 20 116.566 116.566 116.895 -0.329 18082 2703 1 8 . 1 1 20 20 ASP HA H 20 4.565 4.565 4.608 -0.043 18082 2704 1 8 . 1 1 20 20 ASP CA C 20 52.488 52.488 54.105 -1.617 18082 2705 1 8 . 1 1 20 20 ASP CB C 20 39.280 39.280 42.775 -3.495 18082 2706 1 8 . 1 1 20 20 ASP H H 20 7.733 7.733 7.575 0.158 18082 2707 1 8 . 1 1 21 21 LYS N N 21 124.387 124.387 123.471 0.916 18082 2708 1 8 . 1 1 21 21 LYS HA H 21 3.987 3.987 4.527 -0.540 18082 2709 1 8 . 1 1 21 21 LYS CA C 21 58.353 58.353 55.270 3.083 18082 2710 1 8 . 1 1 21 21 LYS CB C 21 32.514 32.514 31.870 0.644 18082 2711 1 8 . 1 1 21 21 LYS H H 21 7.668 7.668 8.439 -0.771 18082 2712 1 8 . 1 1 22 22 ASP N N 22 114.142 114.142 117.982 -3.840 18082 2713 1 8 . 1 1 22 22 ASP HA H 22 4.594 4.594 4.741 -0.147 18082 2714 1 8 . 1 1 22 22 ASP CA C 22 52.934 52.934 54.494 -1.560 18082 2715 1 8 . 1 1 22 22 ASP CB C 22 39.645 39.645 44.065 -4.420 18082 2716 1 8 . 1 1 22 22 ASP H H 22 8.135 8.135 8.082 0.053 18082 2717 1 8 . 1 1 23 23 GLY N N 23 109.286 109.286 109.736 -0.450 18082 2718 1 8 . 1 1 23 23 GLY CA C 23 47.308 47.308 45.494 1.814 18082 2719 1 8 . 1 1 23 23 GLY H H 23 7.683 7.683 9.008 -1.325 18082 2720 1 8 . 1 1 24 24 ASP N N 24 120.949 120.949 119.833 1.116 18082 2721 1 8 . 1 1 24 24 ASP HA H 24 4.525 4.525 4.740 -0.215 18082 2722 1 8 . 1 1 24 24 ASP CA C 24 53.891 53.891 52.918 0.973 18082 2723 1 8 . 1 1 24 24 ASP CB C 24 40.513 40.513 41.192 -0.679 18082 2724 1 8 . 1 1 24 24 ASP H H 24 8.477 8.477 8.307 0.170 18082 2725 1 8 . 1 1 25 25 GLY N N 25 112.905 112.905 109.633 3.272 18082 2726 1 8 . 1 1 25 25 GLY CA C 25 45.496 45.496 45.796 -0.300 18082 2727 1 8 . 1 1 25 25 GLY H H 25 10.567 10.567 8.300 2.267 18082 2728 1 8 . 1 1 26 26 THR N N 26 112.165 112.165 112.132 0.033 18082 2729 1 8 . 1 1 26 26 THR HA H 26 5.421 5.421 5.178 0.243 18082 2730 1 8 . 1 1 26 26 THR CA C 26 59.692 59.692 60.100 -0.408 18082 2731 1 8 . 1 1 26 26 THR CB C 26 72.792 72.792 71.651 1.141 18082 2732 1 8 . 1 1 26 26 THR H H 26 8.238 8.238 8.637 -0.399 18082 2733 1 8 . 1 1 27 27 ILE N N 27 126.801 126.801 126.196 0.605 18082 2734 1 8 . 1 1 27 27 ILE HA H 27 4.846 4.846 4.362 0.484 18082 2735 1 8 . 1 1 27 27 ILE CA C 27 61.302 61.302 62.017 -0.715 18082 2736 1 8 . 1 1 27 27 ILE CB C 27 40.312 40.312 36.878 3.434 18082 2737 1 8 . 1 1 27 27 ILE H H 27 9.970 9.970 8.949 1.021 18082 2738 1 8 . 1 1 28 28 THR N N 28 116.315 116.315 121.647 -5.332 18082 2739 1 8 . 1 1 28 28 THR HA H 28 4.921 4.921 5.278 -0.357 18082 2740 1 8 . 1 1 28 28 THR CA C 28 59.359 59.359 59.819 -0.460 18082 2741 1 8 . 1 1 28 28 THR CB C 28 72.614 72.614 72.043 0.571 18082 2742 1 8 . 1 1 28 28 THR H H 28 8.356 8.356 8.537 -0.181 18082 2743 1 8 . 1 1 29 29 THR N N 29 113.124 113.124 116.812 -3.688 18082 2744 1 8 . 1 1 29 29 THR HA H 29 3.748 3.748 3.910 -0.162 18082 2745 1 8 . 1 1 29 29 THR CA C 29 66.445 66.445 66.716 -0.271 18082 2746 1 8 . 1 1 29 29 THR CB C 29 68.069 68.069 68.391 -0.322 18082 2747 1 8 . 1 1 29 29 THR H H 29 9.115 9.115 8.912 0.203 18082 2748 1 8 . 1 1 30 30 LYS N N 30 120.485 120.485 122.966 -2.481 18082 2749 1 8 . 1 1 30 30 LYS HA H 30 4.106 4.106 4.002 0.104 18082 2750 1 8 . 1 1 30 30 LYS CA C 30 59.216 59.216 59.821 -0.605 18082 2751 1 8 . 1 1 30 30 LYS CB C 30 32.546 32.546 32.057 0.489 18082 2752 1 8 . 1 1 30 30 LYS H H 30 7.639 7.639 8.369 -0.730 18082 2753 1 8 . 1 1 31 31 GLU N N 31 121.786 121.786 118.594 3.192 18082 2754 1 8 . 1 1 31 31 GLU HA H 31 4.003 4.003 3.990 0.013 18082 2755 1 8 . 1 1 31 31 GLU CA C 31 59.642 59.642 58.555 1.087 18082 2756 1 8 . 1 1 31 31 GLU CB C 31 29.605 29.605 29.305 0.300 18082 2757 1 8 . 1 1 31 31 GLU H H 31 7.693 7.693 7.815 -0.122 18082 2758 1 8 . 1 1 32 32 LEU N N 32 120.699 120.699 120.915 -0.216 18082 2759 1 8 . 1 1 32 32 LEU HA H 32 4.093 4.093 4.376 -0.283 18082 2760 1 8 . 1 1 32 32 LEU CA C 32 58.340 58.340 57.253 1.087 18082 2761 1 8 . 1 1 32 32 LEU CB C 32 42.173 42.173 42.218 -0.044 18082 2762 1 8 . 1 1 32 32 LEU H H 32 8.585 8.585 7.634 0.951 18082 2763 1 8 . 1 1 33 33 GLY N N 33 106.061 106.061 105.263 0.798 18082 2764 1 8 . 1 1 33 33 GLY CA C 33 48.681 48.681 47.480 1.202 18082 2765 1 8 . 1 1 33 33 GLY H H 33 8.715 8.715 8.656 0.059 18082 2766 1 8 . 1 1 34 34 THR N N 34 118.195 118.195 115.415 2.780 18082 2767 1 8 . 1 1 34 34 THR HA H 34 3.929 3.929 3.937 -0.008 18082 2768 1 8 . 1 1 34 34 THR CA C 34 66.961 66.961 65.351 1.610 18082 2769 1 8 . 1 1 34 34 THR CB C 34 68.764 68.764 68.532 0.232 18082 2770 1 8 . 1 1 34 34 THR H H 34 7.947 7.947 7.696 0.251 18082 2771 1 8 . 1 1 35 35 VAL N N 35 122.412 122.412 121.682 0.730 18082 2772 1 8 . 1 1 35 35 VAL HA H 35 3.609 3.609 3.752 -0.143 18082 2773 1 8 . 1 1 35 35 VAL CA C 35 66.554 66.554 65.376 1.178 18082 2774 1 8 . 1 1 35 35 VAL CB C 35 31.479 31.479 31.446 0.033 18082 2775 1 8 . 1 1 35 35 VAL H H 35 7.760 7.760 7.277 0.483 18082 2776 1 8 . 1 1 36 36 MET N N 36 118.407 118.407 118.246 0.161 18082 2777 1 8 . 1 1 36 36 MET HA H 36 4.104 4.104 4.017 0.087 18082 2778 1 8 . 1 1 36 36 MET CA C 36 58.532 58.532 59.526 -0.994 18082 2779 1 8 . 1 1 36 36 MET CB C 36 30.782 30.782 32.119 -1.337 18082 2780 1 8 . 1 1 36 36 MET H H 36 8.583 8.583 7.507 1.076 18082 2781 1 8 . 1 1 37 37 ARG N N 37 119.070 119.070 119.714 -0.644 18082 2782 1 8 . 1 1 37 37 ARG HA H 37 4.789 4.789 3.956 0.833 18082 2783 1 8 . 1 1 37 37 ARG CA C 37 59.141 59.141 59.864 -0.723 18082 2784 1 8 . 1 1 37 37 ARG CB C 37 30.019 30.019 30.277 -0.258 18082 2785 1 8 . 1 1 37 37 ARG H H 37 8.499 8.499 8.685 -0.186 18082 2786 1 8 . 1 1 38 38 SER N N 38 118.897 118.897 113.681 5.216 18082 2787 1 8 . 1 1 38 38 SER HA H 38 4.417 4.417 4.360 0.057 18082 2788 1 8 . 1 1 38 38 SER CA C 38 61.450 61.450 60.181 1.269 18082 2789 1 8 . 1 1 38 38 SER CB C 38 62.846 62.846 63.131 -0.285 18082 2790 1 8 . 1 1 38 38 SER H H 38 7.965 7.965 7.692 0.273 18082 2791 1 8 . 1 1 39 39 LEU N N 39 120.765 120.765 121.849 -1.084 18082 2792 1 8 . 1 1 39 39 LEU HA H 39 4.489 4.489 4.275 0.214 18082 2793 1 8 . 1 1 39 39 LEU CA C 39 54.576 54.576 55.848 -1.272 18082 2794 1 8 . 1 1 39 39 LEU CB C 39 41.963 41.963 43.256 -1.293 18082 2795 1 8 . 1 1 39 39 LEU H H 39 7.387 7.387 7.648 -0.261 18082 2796 1 8 . 1 1 40 40 GLY N N 40 107.022 107.022 104.915 2.107 18082 2797 1 8 . 1 1 40 40 GLY CA C 40 45.637 45.637 45.386 0.251 18082 2798 1 8 . 1 1 40 40 GLY H H 40 7.889 7.889 8.141 -0.252 18082 2799 1 8 . 1 1 41 41 GLN N N 41 118.231 118.231 117.628 0.603 18082 2800 1 8 . 1 1 41 41 GLN HA H 41 4.495 4.495 3.857 0.638 18082 2801 1 8 . 1 1 41 41 GLN CA C 41 54.440 54.440 56.239 -1.800 18082 2802 1 8 . 1 1 41 41 GLN CB C 41 30.703 30.703 28.728 1.975 18082 2803 1 8 . 1 1 41 41 GLN H H 41 7.747 7.747 7.787 -0.040 18082 2804 1 8 . 1 1 42 42 ASN N N 42 116.416 116.416 121.727 -5.311 18082 2805 1 8 . 1 1 42 42 ASN CA C 42 51.308 51.308 50.407 0.901 18082 2806 1 8 . 1 1 42 42 ASN CB C 42 39.272 39.272 39.754 -0.482 18082 2807 1 8 . 1 1 42 42 ASN H H 42 8.663 8.663 8.701 -0.038 18082 2808 1 8 . 1 1 43 43 PRO HA H 43 4.742 4.742 4.537 0.204 18082 2809 1 8 . 1 1 43 43 PRO CA C 43 62.393 62.393 62.590 -0.197 18082 2810 1 8 . 1 1 43 43 PRO CB C 43 31.969 31.969 32.785 -0.816 18082 2811 1 8 . 1 1 44 44 THR N N 44 112.768 112.768 111.805 0.963 18082 2812 1 8 . 1 1 44 44 THR HA H 44 4.723 4.723 4.331 0.392 18082 2813 1 8 . 1 1 44 44 THR CA C 44 60.656 60.656 61.283 -0.627 18082 2814 1 8 . 1 1 44 44 THR CB C 44 71.220 71.220 70.332 0.888 18082 2815 1 8 . 1 1 44 44 THR H H 44 8.790 8.790 8.558 0.232 18082 2816 1 8 . 1 1 45 45 GLU N N 45 120.454 120.454 121.945 -1.491 18082 2817 1 8 . 1 1 45 45 GLU HA H 45 3.970 3.970 4.030 -0.060 18082 2818 1 8 . 1 1 45 45 GLU CA C 45 60.178 60.178 60.276 -0.098 18082 2819 1 8 . 1 1 45 45 GLU CB C 45 29.056 29.056 28.569 0.487 18082 2820 1 8 . 1 1 45 45 GLU H H 45 8.771 8.771 8.944 -0.173 18082 2821 1 8 . 1 1 46 46 ALA N N 46 120.779 120.779 122.023 -1.244 18082 2822 1 8 . 1 1 46 46 ALA HA H 46 4.105 4.105 4.110 -0.005 18082 2823 1 8 . 1 1 46 46 ALA CA C 46 55.119 55.119 55.037 0.082 18082 2824 1 8 . 1 1 46 46 ALA CB C 46 18.275 18.275 18.142 0.133 18082 2825 1 8 . 1 1 46 46 ALA H H 46 8.187 8.187 8.263 -0.076 18082 2826 1 8 . 1 1 47 47 GLU N N 47 118.876 118.876 118.786 0.090 18082 2827 1 8 . 1 1 47 47 GLU HA H 47 3.988 3.988 4.027 -0.039 18082 2828 1 8 . 1 1 47 47 GLU CA C 47 59.179 59.179 58.842 0.337 18082 2829 1 8 . 1 1 47 47 GLU CB C 47 29.871 29.871 29.589 0.282 18082 2830 1 8 . 1 1 47 47 GLU H H 47 7.628 7.628 7.644 -0.016 18082 2831 1 8 . 1 1 48 48 LEU N N 48 119.668 119.668 120.655 -0.987 18082 2832 1 8 . 1 1 48 48 LEU HA H 48 3.952 3.952 4.114 -0.162 18082 2833 1 8 . 1 1 48 48 LEU CA C 48 57.831 57.831 57.617 0.214 18082 2834 1 8 . 1 1 48 48 LEU CB C 48 42.435 42.435 42.137 0.298 18082 2835 1 8 . 1 1 48 48 LEU H H 48 8.104 8.104 8.011 0.093 18082 2836 1 8 . 1 1 49 49 GLN N N 49 118.133 118.133 119.021 -0.888 18082 2837 1 8 . 1 1 49 49 GLN HA H 49 3.851 3.851 3.967 -0.116 18082 2838 1 8 . 1 1 49 49 GLN CA C 49 58.616 58.616 59.156 -0.540 18082 2839 1 8 . 1 1 49 49 GLN CB C 49 28.202 28.202 28.535 -0.333 18082 2840 1 8 . 1 1 49 49 GLN H H 49 8.168 8.168 8.257 -0.089 18082 2841 1 8 . 1 1 50 50 ASP N N 50 120.259 120.259 120.388 -0.129 18082 2842 1 8 . 1 1 50 50 ASP HA H 50 4.459 4.459 4.365 0.094 18082 2843 1 8 . 1 1 50 50 ASP CA C 50 57.787 57.787 57.100 0.687 18082 2844 1 8 . 1 1 50 50 ASP CB C 50 40.475 40.475 40.761 -0.286 18082 2845 1 8 . 1 1 50 50 ASP H H 50 8.053 8.053 8.038 0.015 18082 2846 1 8 . 1 1 51 51 MET N N 51 119.290 119.290 117.777 1.513 18082 2847 1 8 . 1 1 51 51 MET HA H 51 4.095 4.095 4.242 -0.147 18082 2848 1 8 . 1 1 51 51 MET CA C 51 60.031 60.031 58.022 2.010 18082 2849 1 8 . 1 1 51 51 MET CB C 51 33.629 33.629 32.088 1.541 18082 2850 1 8 . 1 1 51 51 MET H H 51 7.948 7.948 7.423 0.525 18082 2851 1 8 . 1 1 52 52 ILE N N 52 119.018 119.018 118.696 0.322 18082 2852 1 8 . 1 1 52 52 ILE HA H 52 3.942 3.942 3.911 0.031 18082 2853 1 8 . 1 1 52 52 ILE CA C 52 63.568 63.568 62.175 1.393 18082 2854 1 8 . 1 1 52 52 ILE CB C 52 36.623 36.623 38.032 -1.409 18082 2855 1 8 . 1 1 52 52 ILE H H 52 7.793 7.793 7.613 0.180 18082 2856 1 8 . 1 1 53 53 ASN N N 53 118.406 118.406 117.809 0.597 18082 2857 1 8 . 1 1 53 53 ASN HA H 53 4.427 4.427 4.498 -0.071 18082 2858 1 8 . 1 1 53 53 ASN CA C 53 56.145 56.145 55.310 0.835 18082 2859 1 8 . 1 1 53 53 ASN CB C 53 38.100 38.100 39.010 -0.910 18082 2860 1 8 . 1 1 53 53 ASN H H 53 8.853 8.853 7.693 1.160 18082 2861 1 8 . 1 1 54 54 GLU N N 54 116.393 116.393 116.959 -0.566 18082 2862 1 8 . 1 1 54 54 GLU HA H 54 4.064 4.064 4.384 -0.320 18082 2863 1 8 . 1 1 54 54 GLU CA C 54 59.025 59.025 57.253 1.772 18082 2864 1 8 . 1 1 54 54 GLU CB C 54 30.347 30.347 29.828 0.519 18082 2865 1 8 . 1 1 54 54 GLU H H 54 7.723 7.723 7.628 0.096 18082 2866 1 8 . 1 1 55 55 VAL N N 55 112.052 112.052 117.789 -5.737 18082 2867 1 8 . 1 1 55 55 VAL HA H 55 4.206 4.206 4.163 0.043 18082 2868 1 8 . 1 1 55 55 VAL CA C 55 60.952 60.952 62.283 -1.331 18082 2869 1 8 . 1 1 55 55 VAL CB C 55 33.117 33.117 34.553 -1.436 18082 2870 1 8 . 1 1 55 55 VAL H H 55 7.154 7.154 7.266 -0.112 18082 2871 1 8 . 1 1 56 56 ASP N N 56 121.462 121.462 121.369 0.093 18082 2872 1 8 . 1 1 56 56 ASP HA H 56 4.483 4.483 4.849 -0.366 18082 2873 1 8 . 1 1 56 56 ASP CA C 56 53.871 53.871 52.793 1.078 18082 2874 1 8 . 1 1 56 56 ASP CB C 56 40.414 40.414 41.480 -1.066 18082 2875 1 8 . 1 1 56 56 ASP H H 56 7.652 7.652 7.685 -0.033 18082 2876 1 8 . 1 1 57 57 ALA N N 57 131.294 131.294 128.434 2.860 18082 2877 1 8 . 1 1 57 57 ALA HA H 57 4.216 4.216 4.111 0.105 18082 2878 1 8 . 1 1 57 57 ALA CA C 57 54.533 54.533 54.010 0.524 18082 2879 1 8 . 1 1 57 57 ALA CB C 57 19.810 19.810 19.062 0.748 18082 2880 1 8 . 1 1 57 57 ALA H H 57 8.067 8.067 8.594 -0.527 18082 2881 1 8 . 1 1 58 58 ASP N N 58 113.873 113.873 117.978 -4.105 18082 2882 1 8 . 1 1 58 58 ASP HA H 58 4.652 4.652 4.497 0.155 18082 2883 1 8 . 1 1 58 58 ASP CA C 58 52.885 52.885 54.211 -1.326 18082 2884 1 8 . 1 1 58 58 ASP CB C 58 39.916 39.916 40.640 -0.724 18082 2885 1 8 . 1 1 58 58 ASP H H 58 8.236 8.236 8.272 -0.036 18082 2886 1 8 . 1 1 59 59 GLY N N 59 108.338 108.338 108.998 -0.660 18082 2887 1 8 . 1 1 59 59 GLY CA C 59 47.252 47.252 45.265 1.987 18082 2888 1 8 . 1 1 59 59 GLY H H 59 7.574 7.574 7.834 -0.260 18082 2889 1 8 . 1 1 60 60 ASN N N 60 118.885 118.885 119.224 -0.339 18082 2890 1 8 . 1 1 60 60 ASN HA H 60 4.628 4.628 4.789 -0.161 18082 2891 1 8 . 1 1 60 60 ASN CA C 60 52.889 52.889 53.011 -0.122 18082 2892 1 8 . 1 1 60 60 ASN CB C 60 37.683 37.683 40.151 -2.468 18082 2893 1 8 . 1 1 60 60 ASN H H 60 8.167 8.167 9.132 -0.965 18082 2894 1 8 . 1 1 61 61 GLY N N 61 113.590 113.590 110.178 3.412 18082 2895 1 8 . 1 1 61 61 GLY CA C 61 45.648 45.648 45.443 0.205 18082 2896 1 8 . 1 1 61 61 GLY H H 61 10.620 10.620 9.252 1.368 18082 2897 1 8 . 1 1 62 62 THR N N 62 108.235 108.235 115.459 -7.224 18082 2898 1 8 . 1 1 62 62 THR HA H 62 4.822 4.822 5.537 -0.715 18082 2899 1 8 . 1 1 62 62 THR CA C 62 59.531 59.531 60.586 -1.055 18082 2900 1 8 . 1 1 62 62 THR CB C 62 72.479 72.479 72.328 0.151 18082 2901 1 8 . 1 1 62 62 THR H H 62 7.671 7.671 8.056 -0.385 18082 2902 1 8 . 1 1 63 63 ILE N N 63 124.438 124.438 123.594 0.844 18082 2903 1 8 . 1 1 63 63 ILE HA H 63 5.357 5.357 4.813 0.544 18082 2904 1 8 . 1 1 63 63 ILE CA C 63 58.123 58.123 60.481 -2.358 18082 2905 1 8 . 1 1 63 63 ILE CB C 63 38.406 38.406 41.501 -3.095 18082 2906 1 8 . 1 1 63 63 ILE H H 63 8.816 8.816 8.552 0.264 18082 2907 1 8 . 1 1 64 64 ASP N N 64 128.393 128.393 127.700 0.693 18082 2908 1 8 . 1 1 64 64 ASP HA H 64 5.455 5.455 5.116 0.339 18082 2909 1 8 . 1 1 64 64 ASP CA C 64 51.924 51.924 52.410 -0.486 18082 2910 1 8 . 1 1 64 64 ASP CB C 64 42.237 42.237 43.654 -1.417 18082 2911 1 8 . 1 1 64 64 ASP H H 64 8.811 8.811 9.362 -0.551 18082 2912 1 8 . 1 1 65 65 PHE N N 65 118.159 118.159 119.358 -1.199 18082 2913 1 8 . 1 1 65 65 PHE HA H 65 3.993 3.993 4.459 -0.466 18082 2914 1 8 . 1 1 65 65 PHE CA C 65 63.050 63.050 63.371 -0.321 18082 2915 1 8 . 1 1 65 65 PHE CB C 65 35.932 35.932 36.271 -0.339 18082 2916 1 8 . 1 1 65 65 PHE H H 65 8.926 8.926 9.148 -0.222 18082 2917 1 8 . 1 1 66 66 PRO HA H 66 3.827 3.827 4.148 -0.321 18082 2918 1 8 . 1 1 66 66 PRO CA C 66 66.950 66.950 66.486 0.464 18082 2919 1 8 . 1 1 66 66 PRO CB C 66 30.758 30.758 31.233 -0.475 18082 2920 1 8 . 1 1 67 67 GLU N N 67 117.916 117.916 118.671 -0.755 18082 2921 1 8 . 1 1 67 67 GLU HA H 67 3.988 3.988 4.102 -0.114 18082 2922 1 8 . 1 1 67 67 GLU CA C 67 59.100 59.100 59.842 -0.742 18082 2923 1 8 . 1 1 67 67 GLU CB C 67 29.855 29.855 29.222 0.633 18082 2924 1 8 . 1 1 67 67 GLU H H 67 8.267 8.267 8.443 -0.176 18082 2925 1 8 . 1 1 68 68 PHE N N 68 123.365 123.365 121.977 1.388 18082 2926 1 8 . 1 1 68 68 PHE HA H 68 3.632 3.632 4.104 -0.472 18082 2927 1 8 . 1 1 68 68 PHE CA C 68 61.413 61.413 61.630 -0.217 18082 2928 1 8 . 1 1 68 68 PHE CB C 68 40.628 40.628 39.167 1.461 18082 2929 1 8 . 1 1 68 68 PHE H H 68 8.631 8.631 8.759 -0.128 18082 2930 1 8 . 1 1 69 69 LEU N N 69 120.250 120.250 117.798 2.452 18082 2931 1 8 . 1 1 69 69 LEU HA H 69 3.304 3.304 3.746 -0.442 18082 2932 1 8 . 1 1 69 69 LEU CA C 69 57.940 57.940 57.684 0.256 18082 2933 1 8 . 1 1 69 69 LEU CB C 69 41.342 41.342 41.605 -0.263 18082 2934 1 8 . 1 1 69 69 LEU H H 69 9.006 9.006 8.830 0.176 18082 2935 1 8 . 1 1 70 70 THR N N 70 114.585 114.585 112.847 1.738 18082 2936 1 8 . 1 1 70 70 THR HA H 70 3.640 3.640 4.204 -0.564 18082 2937 1 8 . 1 1 70 70 THR CA C 70 66.819 66.819 64.628 2.191 18082 2938 1 8 . 1 1 70 70 THR CB C 70 68.615 68.615 69.195 -0.580 18082 2939 1 8 . 1 1 70 70 THR H H 70 7.671 7.671 7.555 0.116 18082 2940 1 8 . 1 1 71 71 MET N N 71 120.319 120.319 123.488 -3.169 18082 2941 1 8 . 1 1 71 71 MET HA H 71 3.825 3.825 4.111 -0.286 18082 2942 1 8 . 1 1 71 71 MET CA C 71 58.513 58.513 57.696 0.817 18082 2943 1 8 . 1 1 71 71 MET CB C 71 30.796 30.796 32.385 -1.589 18082 2944 1 8 . 1 1 71 71 MET H H 71 7.095 7.095 8.553 -1.458 18082 2945 1 8 . 1 1 72 72 MET N N 72 118.715 118.715 115.760 2.955 18082 2946 1 8 . 1 1 72 72 MET HA H 72 3.802 3.802 4.152 -0.350 18082 2947 1 8 . 1 1 72 72 MET CA C 72 56.247 56.247 54.555 1.692 18082 2948 1 8 . 1 1 72 72 MET CB C 72 30.368 30.368 30.256 0.112 18082 2949 1 8 . 1 1 72 72 MET H H 72 8.004 8.004 7.509 0.495 18082 2950 1 8 . 1 1 73 73 ALA N N 73 121.244 121.244 119.333 1.911 18082 2951 1 8 . 1 1 73 73 ALA HA H 73 4.028 4.028 4.479 -0.451 18082 2952 1 8 . 1 1 73 73 ALA CA C 73 54.594 54.594 51.939 2.655 18082 2953 1 8 . 1 1 73 73 ALA CB C 73 18.233 18.233 20.999 -2.766 18082 2954 1 8 . 1 1 73 73 ALA H H 73 8.298 8.298 7.489 0.809 18082 2955 1 8 . 1 1 74 74 ARG N N 74 116.638 116.638 122.035 -5.397 18082 2956 1 8 . 1 1 74 74 ARG HA H 74 4.086 4.086 4.452 -0.366 18082 2957 1 8 . 1 1 74 74 ARG CA C 74 58.442 58.442 55.559 2.883 18082 2958 1 8 . 1 1 74 74 ARG CB C 74 30.239 30.239 29.591 0.648 18082 2959 1 8 . 1 1 74 74 ARG H H 74 7.378 7.378 7.565 -0.187 18082 2960 1 8 . 1 1 75 75 LYS N N 75 118.910 118.910 125.398 -6.488 18082 2961 1 8 . 1 1 75 75 LYS HA H 75 4.208 4.208 4.455 -0.247 18082 2962 1 8 . 1 1 75 75 LYS CA C 75 57.508 57.508 55.742 1.766 18082 2963 1 8 . 1 1 75 75 LYS CB C 75 32.532 32.532 33.002 -0.470 18082 2964 1 8 . 1 1 75 75 LYS H H 75 7.779 7.779 8.228 -0.449 18082 2965 1 8 . 1 1 76 76 MET N N 76 117.825 117.825 118.488 -0.663 18082 2966 1 8 . 1 1 76 76 MET HA H 76 4.353 4.353 4.745 -0.392 18082 2967 1 8 . 1 1 76 76 MET CA C 76 56.880 56.880 54.774 2.106 18082 2968 1 8 . 1 1 76 76 MET CB C 76 32.784 32.784 35.475 -2.691 18082 2969 1 8 . 1 1 76 76 MET H H 76 7.789 7.789 8.427 -0.638 18082 2970 1 8 . 1 1 77 77 LYS N N 77 119.283 119.283 120.137 -0.854 18082 2971 1 8 . 1 1 77 77 LYS HA H 77 4.355 4.355 4.515 -0.160 18082 2972 1 8 . 1 1 77 77 LYS CA C 77 56.490 56.490 56.111 0.379 18082 2973 1 8 . 1 1 77 77 LYS CB C 77 33.115 33.115 32.448 0.667 18082 2974 1 8 . 1 1 77 77 LYS H H 77 7.711 7.711 8.224 -0.513 18082 2975 1 8 . 1 1 78 78 ASP N N 78 121.107 121.107 119.547 1.560 18082 2976 1 8 . 1 1 78 78 ASP HA H 78 4.695 4.695 4.795 -0.100 18082 2977 1 8 . 1 1 78 78 ASP CA C 78 54.680 54.680 53.257 1.423 18082 2978 1 8 . 1 1 78 78 ASP CB C 78 41.207 41.207 41.893 -0.686 18082 2979 1 8 . 1 1 78 78 ASP H H 78 8.089 8.089 7.781 0.308 18082 2980 1 8 . 1 1 79 79 THR N N 79 112.761 112.761 116.591 -3.830 18082 2981 1 8 . 1 1 79 79 THR HA H 79 4.390 4.390 4.572 -0.182 18082 2982 1 8 . 1 1 79 79 THR CA C 79 61.469 61.469 61.831 -0.362 18082 2983 1 8 . 1 1 79 79 THR CB C 79 70.178 70.178 69.397 0.781 18082 2984 1 8 . 1 1 79 79 THR H H 79 7.935 7.935 8.201 -0.266 18082 2985 1 9 . 1 1 2 2 ASP N N 2 117.390 117.390 119.534 -2.144 18082 2986 1 9 . 1 1 2 2 ASP HA H 2 4.521 4.521 4.648 -0.127 18082 2987 1 9 . 1 1 2 2 ASP CA C 2 55.014 55.014 54.385 0.629 18082 2988 1 9 . 1 1 2 2 ASP CB C 2 40.955 40.955 40.259 0.696 18082 2989 1 9 . 1 1 2 2 ASP H H 2 8.039 8.039 8.412 -0.373 18082 2990 1 9 . 1 1 3 3 GLN N N 3 118.072 118.072 121.440 -3.368 18082 2991 1 9 . 1 1 3 3 GLN HA H 3 4.357 4.357 4.500 -0.143 18082 2992 1 9 . 1 1 3 3 GLN CA C 3 55.636 55.636 56.259 -0.623 18082 2993 1 9 . 1 1 3 3 GLN CB C 3 29.695 29.695 30.150 -0.455 18082 2994 1 9 . 1 1 3 3 GLN H H 3 7.949 7.949 8.243 -0.294 18082 2995 1 9 . 1 1 4 4 LEU N N 4 121.793 121.793 121.928 -0.135 18082 2996 1 9 . 1 1 4 4 LEU HA H 4 4.692 4.692 4.615 0.077 18082 2997 1 9 . 1 1 4 4 LEU CA C 4 54.358 54.358 54.667 -0.309 18082 2998 1 9 . 1 1 4 4 LEU CB C 4 43.712 43.712 41.133 2.579 18082 2999 1 9 . 1 1 4 4 LEU H H 4 7.841 7.841 8.295 -0.454 18082 3000 1 9 . 1 1 5 5 THR N N 5 112.587 112.587 116.235 -3.648 18082 3001 1 9 . 1 1 5 5 THR HA H 5 4.772 4.772 4.383 0.389 18082 3002 1 9 . 1 1 5 5 THR CA C 5 60.388 60.388 62.315 -1.927 18082 3003 1 9 . 1 1 5 5 THR CB C 5 71.243 71.243 69.811 1.431 18082 3004 1 9 . 1 1 5 5 THR H H 5 8.625 8.625 8.301 0.324 18082 3005 1 9 . 1 1 6 6 GLU N N 6 120.574 120.574 119.093 1.481 18082 3006 1 9 . 1 1 6 6 GLU HA H 6 3.976 3.976 4.124 -0.148 18082 3007 1 9 . 1 1 6 6 GLU CA C 6 60.180 60.180 57.063 3.117 18082 3008 1 9 . 1 1 6 6 GLU CB C 6 29.285 29.285 29.503 -0.218 18082 3009 1 9 . 1 1 6 6 GLU H H 6 8.995 8.995 8.647 0.348 18082 3010 1 9 . 1 1 7 7 GLU N N 7 119.338 119.338 117.902 1.436 18082 3011 1 9 . 1 1 7 7 GLU HA H 7 4.063 4.063 4.329 -0.266 18082 3012 1 9 . 1 1 7 7 GLU CA C 7 60.062 60.062 57.245 2.817 18082 3013 1 9 . 1 1 7 7 GLU CB C 7 29.198 29.198 29.662 -0.464 18082 3014 1 9 . 1 1 7 7 GLU H H 7 8.678 8.678 8.315 0.363 18082 3015 1 9 . 1 1 8 8 GLN N N 8 120.308 120.308 118.174 2.134 18082 3016 1 9 . 1 1 8 8 GLN HA H 8 3.874 3.874 4.094 -0.220 18082 3017 1 9 . 1 1 8 8 GLN CA C 8 58.626 58.626 56.817 1.809 18082 3018 1 9 . 1 1 8 8 GLN CB C 8 29.201 29.201 29.079 0.121 18082 3019 1 9 . 1 1 8 8 GLN H H 8 7.684 7.684 8.214 -0.530 18082 3020 1 9 . 1 1 9 9 ILE N N 9 119.371 119.371 120.030 -0.659 18082 3021 1 9 . 1 1 9 9 ILE HA H 9 3.675 3.675 3.843 -0.168 18082 3022 1 9 . 1 1 9 9 ILE CA C 9 66.241 66.241 64.326 1.915 18082 3023 1 9 . 1 1 9 9 ILE CB C 9 37.702 37.702 37.581 0.121 18082 3024 1 9 . 1 1 9 9 ILE H H 9 8.339 8.339 7.602 0.737 18082 3025 1 9 . 1 1 10 10 ALA N N 10 121.339 121.339 119.520 1.819 18082 3026 1 9 . 1 1 10 10 ALA HA H 10 4.118 4.118 4.088 0.030 18082 3027 1 9 . 1 1 10 10 ALA CA C 10 55.648 55.648 54.556 1.092 18082 3028 1 9 . 1 1 10 10 ALA CB C 10 17.908 17.908 18.275 -0.367 18082 3029 1 9 . 1 1 10 10 ALA H H 10 8.048 8.048 8.167 -0.119 18082 3030 1 9 . 1 1 11 11 GLU N N 11 119.886 119.886 116.619 3.267 18082 3031 1 9 . 1 1 11 11 GLU HA H 11 4.187 4.187 4.299 -0.112 18082 3032 1 9 . 1 1 11 11 GLU CA C 11 59.577 59.577 56.747 2.830 18082 3033 1 9 . 1 1 11 11 GLU CB C 11 29.306 29.306 30.189 -0.883 18082 3034 1 9 . 1 1 11 11 GLU H H 11 7.792 7.792 7.517 0.275 18082 3035 1 9 . 1 1 12 12 PHE N N 12 119.957 119.957 118.244 1.713 18082 3036 1 9 . 1 1 12 12 PHE HA H 12 5.011 5.011 4.710 0.301 18082 3037 1 9 . 1 1 12 12 PHE CA C 12 59.173 59.173 58.944 0.229 18082 3038 1 9 . 1 1 12 12 PHE CB C 12 37.617 37.617 39.111 -1.494 18082 3039 1 9 . 1 1 12 12 PHE H H 12 8.527 8.527 7.156 1.371 18082 3040 1 9 . 1 1 13 13 LYS N N 13 123.937 123.937 119.746 4.191 18082 3041 1 9 . 1 1 13 13 LYS HA H 13 4.015 4.015 4.240 -0.225 18082 3042 1 9 . 1 1 13 13 LYS CA C 13 60.169 60.169 60.228 -0.059 18082 3043 1 9 . 1 1 13 13 LYS CB C 13 31.986 31.986 32.014 -0.028 18082 3044 1 9 . 1 1 13 13 LYS H H 13 9.246 9.246 7.759 1.487 18082 3045 1 9 . 1 1 14 14 GLU N N 14 120.885 120.885 118.693 2.192 18082 3046 1 9 . 1 1 14 14 GLU HA H 14 4.130 4.130 4.224 -0.094 18082 3047 1 9 . 1 1 14 14 GLU CA C 14 59.653 59.653 58.721 0.932 18082 3048 1 9 . 1 1 14 14 GLU CB C 14 29.125 29.125 28.885 0.240 18082 3049 1 9 . 1 1 14 14 GLU H H 14 7.956 7.956 8.385 -0.429 18082 3050 1 9 . 1 1 15 15 ALA N N 15 121.878 121.878 121.547 0.331 18082 3051 1 9 . 1 1 15 15 ALA HA H 15 4.257 4.257 4.079 0.178 18082 3052 1 9 . 1 1 15 15 ALA CA C 15 55.565 55.565 54.746 0.819 18082 3053 1 9 . 1 1 15 15 ALA CB C 15 18.237 18.237 17.971 0.266 18082 3054 1 9 . 1 1 15 15 ALA H H 15 8.129 8.129 7.631 0.498 18082 3055 1 9 . 1 1 16 16 PHE N N 16 118.993 118.993 112.563 6.430 18082 3056 1 9 . 1 1 16 16 PHE HA H 16 3.326 3.326 4.519 -1.193 18082 3057 1 9 . 1 1 16 16 PHE CA C 16 62.270 62.270 58.108 4.162 18082 3058 1 9 . 1 1 16 16 PHE CB C 16 39.695 39.695 37.895 1.800 18082 3059 1 9 . 1 1 16 16 PHE H H 16 8.800 8.800 7.530 1.270 18082 3060 1 9 . 1 1 17 17 SER N N 17 113.609 113.609 114.200 -0.591 18082 3061 1 9 . 1 1 17 17 SER HA H 17 4.166 4.166 4.584 -0.418 18082 3062 1 9 . 1 1 17 17 SER CA C 17 61.564 61.564 60.263 1.301 18082 3063 1 9 . 1 1 17 17 SER CB C 17 63.457 63.457 65.279 -1.822 18082 3064 1 9 . 1 1 17 17 SER H H 17 8.062 8.062 7.479 0.583 18082 3065 1 9 . 1 1 18 18 LEU N N 18 120.325 120.325 120.241 0.084 18082 3066 1 9 . 1 1 18 18 LEU HA H 18 4.005 4.005 4.426 -0.421 18082 3067 1 9 . 1 1 18 18 LEU CA C 18 57.028 57.028 56.663 0.366 18082 3068 1 9 . 1 1 18 18 LEU CB C 18 41.523 41.523 42.610 -1.087 18082 3069 1 9 . 1 1 18 18 LEU H H 18 7.452 7.452 8.214 -0.762 18082 3070 1 9 . 1 1 19 19 PHE N N 19 113.738 113.738 120.770 -7.032 18082 3071 1 9 . 1 1 19 19 PHE HA H 19 4.245 4.245 4.271 -0.026 18082 3072 1 9 . 1 1 19 19 PHE CA C 19 59.530 59.530 60.146 -0.616 18082 3073 1 9 . 1 1 19 19 PHE CB C 19 41.928 41.928 40.067 1.861 18082 3074 1 9 . 1 1 19 19 PHE H H 19 7.187 7.187 7.607 -0.420 18082 3075 1 9 . 1 1 20 20 ASP N N 20 116.566 116.566 117.111 -0.545 18082 3076 1 9 . 1 1 20 20 ASP HA H 20 4.565 4.565 4.609 -0.044 18082 3077 1 9 . 1 1 20 20 ASP CA C 20 52.488 52.488 54.052 -1.564 18082 3078 1 9 . 1 1 20 20 ASP CB C 20 39.280 39.280 43.081 -3.801 18082 3079 1 9 . 1 1 20 20 ASP H H 20 7.733 7.733 7.662 0.071 18082 3080 1 9 . 1 1 21 21 LYS N N 21 124.387 124.387 122.772 1.615 18082 3081 1 9 . 1 1 21 21 LYS HA H 21 3.987 3.987 4.464 -0.477 18082 3082 1 9 . 1 1 21 21 LYS CA C 21 58.353 58.353 55.735 2.618 18082 3083 1 9 . 1 1 21 21 LYS CB C 21 32.514 32.514 32.491 0.023 18082 3084 1 9 . 1 1 21 21 LYS H H 21 7.668 7.668 8.448 -0.780 18082 3085 1 9 . 1 1 22 22 ASP N N 22 114.142 114.142 118.513 -4.371 18082 3086 1 9 . 1 1 22 22 ASP HA H 22 4.594 4.594 4.710 -0.116 18082 3087 1 9 . 1 1 22 22 ASP CA C 22 52.934 52.934 54.654 -1.720 18082 3088 1 9 . 1 1 22 22 ASP CB C 22 39.645 39.645 43.193 -3.548 18082 3089 1 9 . 1 1 22 22 ASP H H 22 8.135 8.135 8.297 -0.162 18082 3090 1 9 . 1 1 23 23 GLY N N 23 109.286 109.286 108.263 1.023 18082 3091 1 9 . 1 1 23 23 GLY CA C 23 47.308 47.308 45.172 2.136 18082 3092 1 9 . 1 1 23 23 GLY H H 23 7.683 7.683 9.073 -1.390 18082 3093 1 9 . 1 1 24 24 ASP N N 24 120.949 120.949 121.175 -0.226 18082 3094 1 9 . 1 1 24 24 ASP HA H 24 4.525 4.525 4.680 -0.155 18082 3095 1 9 . 1 1 24 24 ASP CA C 24 53.891 53.891 54.595 -0.704 18082 3096 1 9 . 1 1 24 24 ASP CB C 24 40.513 40.513 41.898 -1.385 18082 3097 1 9 . 1 1 24 24 ASP H H 24 8.477 8.477 8.118 0.359 18082 3098 1 9 . 1 1 25 25 GLY N N 25 112.905 112.905 108.197 4.708 18082 3099 1 9 . 1 1 25 25 GLY CA C 25 45.496 45.496 45.373 0.123 18082 3100 1 9 . 1 1 25 25 GLY H H 25 10.567 10.567 9.109 1.458 18082 3101 1 9 . 1 1 26 26 THR N N 26 112.165 112.165 115.521 -3.356 18082 3102 1 9 . 1 1 26 26 THR HA H 26 5.421 5.421 4.448 0.973 18082 3103 1 9 . 1 1 26 26 THR CA C 26 59.692 59.692 63.055 -3.363 18082 3104 1 9 . 1 1 26 26 THR CB C 26 72.792 72.792 68.839 3.953 18082 3105 1 9 . 1 1 26 26 THR H H 26 8.238 8.238 7.771 0.467 18082 3106 1 9 . 1 1 27 27 ILE N N 27 126.801 126.801 128.278 -1.477 18082 3107 1 9 . 1 1 27 27 ILE HA H 27 4.846 4.846 4.243 0.603 18082 3108 1 9 . 1 1 27 27 ILE CA C 27 61.302 61.302 61.968 -0.666 18082 3109 1 9 . 1 1 27 27 ILE CB C 27 40.312 40.312 36.456 3.856 18082 3110 1 9 . 1 1 27 27 ILE H H 27 9.970 9.970 8.638 1.332 18082 3111 1 9 . 1 1 28 28 THR N N 28 116.315 116.315 122.548 -6.233 18082 3112 1 9 . 1 1 28 28 THR HA H 28 4.921 4.921 5.364 -0.443 18082 3113 1 9 . 1 1 28 28 THR CA C 28 59.359 59.359 59.726 -0.367 18082 3114 1 9 . 1 1 28 28 THR CB C 28 72.614 72.614 71.745 0.869 18082 3115 1 9 . 1 1 28 28 THR H H 28 8.356 8.356 8.326 0.030 18082 3116 1 9 . 1 1 29 29 THR N N 29 113.124 113.124 116.767 -3.643 18082 3117 1 9 . 1 1 29 29 THR HA H 29 3.748 3.748 3.946 -0.198 18082 3118 1 9 . 1 1 29 29 THR CA C 29 66.445 66.445 66.270 0.175 18082 3119 1 9 . 1 1 29 29 THR CB C 29 68.069 68.069 68.150 -0.081 18082 3120 1 9 . 1 1 29 29 THR H H 29 9.115 9.115 8.931 0.184 18082 3121 1 9 . 1 1 30 30 LYS N N 30 120.485 120.485 122.911 -2.426 18082 3122 1 9 . 1 1 30 30 LYS HA H 30 4.106 4.106 3.997 0.109 18082 3123 1 9 . 1 1 30 30 LYS CA C 30 59.216 59.216 59.797 -0.581 18082 3124 1 9 . 1 1 30 30 LYS CB C 30 32.546 32.546 32.068 0.478 18082 3125 1 9 . 1 1 30 30 LYS H H 30 7.639 7.639 8.406 -0.767 18082 3126 1 9 . 1 1 31 31 GLU N N 31 121.786 121.786 119.004 2.782 18082 3127 1 9 . 1 1 31 31 GLU HA H 31 4.003 4.003 4.037 -0.034 18082 3128 1 9 . 1 1 31 31 GLU CA C 31 59.642 59.642 58.558 1.084 18082 3129 1 9 . 1 1 31 31 GLU CB C 31 29.605 29.605 29.326 0.279 18082 3130 1 9 . 1 1 31 31 GLU H H 31 7.693 7.693 7.832 -0.139 18082 3131 1 9 . 1 1 32 32 LEU N N 32 120.699 120.699 120.945 -0.246 18082 3132 1 9 . 1 1 32 32 LEU HA H 32 4.093 4.093 4.284 -0.191 18082 3133 1 9 . 1 1 32 32 LEU CA C 32 58.340 58.340 57.514 0.826 18082 3134 1 9 . 1 1 32 32 LEU CB C 32 42.173 42.173 42.043 0.130 18082 3135 1 9 . 1 1 32 32 LEU H H 32 8.585 8.585 7.708 0.877 18082 3136 1 9 . 1 1 33 33 GLY N N 33 106.061 106.061 105.318 0.743 18082 3137 1 9 . 1 1 33 33 GLY CA C 33 48.681 48.681 47.543 1.138 18082 3138 1 9 . 1 1 33 33 GLY H H 33 8.715 8.715 8.580 0.135 18082 3139 1 9 . 1 1 34 34 THR N N 34 118.195 118.195 116.002 2.193 18082 3140 1 9 . 1 1 34 34 THR HA H 34 3.929 3.929 3.896 0.033 18082 3141 1 9 . 1 1 34 34 THR CA C 34 66.961 66.961 65.941 1.020 18082 3142 1 9 . 1 1 34 34 THR CB C 34 68.764 68.764 68.519 0.245 18082 3143 1 9 . 1 1 34 34 THR H H 34 7.947 7.947 7.592 0.355 18082 3144 1 9 . 1 1 35 35 VAL N N 35 122.412 122.412 121.780 0.632 18082 3145 1 9 . 1 1 35 35 VAL HA H 35 3.609 3.609 3.600 0.009 18082 3146 1 9 . 1 1 35 35 VAL CA C 35 66.554 66.554 65.639 0.915 18082 3147 1 9 . 1 1 35 35 VAL CB C 35 31.479 31.479 31.552 -0.073 18082 3148 1 9 . 1 1 35 35 VAL H H 35 7.760 7.760 7.197 0.563 18082 3149 1 9 . 1 1 36 36 MET N N 36 118.407 118.407 118.738 -0.331 18082 3150 1 9 . 1 1 36 36 MET HA H 36 4.104 4.104 4.004 0.100 18082 3151 1 9 . 1 1 36 36 MET CA C 36 58.532 58.532 59.483 -0.951 18082 3152 1 9 . 1 1 36 36 MET CB C 36 30.782 30.782 32.193 -1.411 18082 3153 1 9 . 1 1 36 36 MET H H 36 8.583 8.583 7.550 1.033 18082 3154 1 9 . 1 1 37 37 ARG N N 37 119.070 119.070 119.296 -0.226 18082 3155 1 9 . 1 1 37 37 ARG HA H 37 4.789 4.789 3.970 0.819 18082 3156 1 9 . 1 1 37 37 ARG CA C 37 59.141 59.141 59.570 -0.429 18082 3157 1 9 . 1 1 37 37 ARG CB C 37 30.019 30.019 30.341 -0.322 18082 3158 1 9 . 1 1 37 37 ARG H H 37 8.499 8.499 8.611 -0.112 18082 3159 1 9 . 1 1 38 38 SER N N 38 118.897 118.897 114.010 4.887 18082 3160 1 9 . 1 1 38 38 SER HA H 38 4.417 4.417 4.451 -0.034 18082 3161 1 9 . 1 1 38 38 SER CA C 38 61.450 61.450 59.979 1.471 18082 3162 1 9 . 1 1 38 38 SER CB C 38 62.846 62.846 63.066 -0.220 18082 3163 1 9 . 1 1 38 38 SER H H 38 7.965 7.965 7.710 0.255 18082 3164 1 9 . 1 1 39 39 LEU N N 39 120.765 120.765 120.682 0.083 18082 3165 1 9 . 1 1 39 39 LEU HA H 39 4.489 4.489 4.758 -0.269 18082 3166 1 9 . 1 1 39 39 LEU CA C 39 54.576 54.576 55.173 -0.597 18082 3167 1 9 . 1 1 39 39 LEU CB C 39 41.963 41.963 44.659 -2.696 18082 3168 1 9 . 1 1 39 39 LEU H H 39 7.387 7.387 7.650 -0.263 18082 3169 1 9 . 1 1 40 40 GLY N N 40 107.022 107.022 107.429 -0.407 18082 3170 1 9 . 1 1 40 40 GLY CA C 40 45.637 45.637 45.626 0.011 18082 3171 1 9 . 1 1 40 40 GLY H H 40 7.889 7.889 8.322 -0.433 18082 3172 1 9 . 1 1 41 41 GLN N N 41 118.231 118.231 118.791 -0.560 18082 3173 1 9 . 1 1 41 41 GLN HA H 41 4.495 4.495 3.816 0.679 18082 3174 1 9 . 1 1 41 41 GLN CA C 41 54.440 54.440 56.583 -2.143 18082 3175 1 9 . 1 1 41 41 GLN CB C 41 30.703 30.703 28.673 2.030 18082 3176 1 9 . 1 1 41 41 GLN H H 41 7.747 7.747 7.841 -0.094 18082 3177 1 9 . 1 1 42 42 ASN N N 42 116.416 116.416 122.625 -6.209 18082 3178 1 9 . 1 1 42 42 ASN CA C 42 51.308 51.308 51.820 -0.512 18082 3179 1 9 . 1 1 42 42 ASN CB C 42 39.272 39.272 39.513 -0.241 18082 3180 1 9 . 1 1 42 42 ASN H H 42 8.663 8.663 8.499 0.164 18082 3181 1 9 . 1 1 43 43 PRO HA H 43 4.742 4.742 4.526 0.216 18082 3182 1 9 . 1 1 43 43 PRO CA C 43 62.393 62.393 62.513 -0.120 18082 3183 1 9 . 1 1 43 43 PRO CB C 43 31.969 31.969 32.985 -1.016 18082 3184 1 9 . 1 1 44 44 THR N N 44 112.768 112.768 112.785 -0.017 18082 3185 1 9 . 1 1 44 44 THR HA H 44 4.723 4.723 4.445 0.278 18082 3186 1 9 . 1 1 44 44 THR CA C 44 60.656 60.656 60.640 0.016 18082 3187 1 9 . 1 1 44 44 THR CB C 44 71.220 71.220 70.970 0.250 18082 3188 1 9 . 1 1 44 44 THR H H 44 8.790 8.790 8.897 -0.107 18082 3189 1 9 . 1 1 45 45 GLU N N 45 120.454 120.454 122.881 -2.427 18082 3190 1 9 . 1 1 45 45 GLU HA H 45 3.970 3.970 3.889 0.081 18082 3191 1 9 . 1 1 45 45 GLU CA C 45 60.178 60.178 60.324 -0.146 18082 3192 1 9 . 1 1 45 45 GLU CB C 45 29.056 29.056 29.229 -0.173 18082 3193 1 9 . 1 1 45 45 GLU H H 45 8.771 8.771 9.011 -0.240 18082 3194 1 9 . 1 1 46 46 ALA N N 46 120.779 120.779 121.953 -1.174 18082 3195 1 9 . 1 1 46 46 ALA HA H 46 4.105 4.105 4.065 0.040 18082 3196 1 9 . 1 1 46 46 ALA CA C 46 55.119 55.119 55.239 -0.120 18082 3197 1 9 . 1 1 46 46 ALA CB C 46 18.275 18.275 18.327 -0.052 18082 3198 1 9 . 1 1 46 46 ALA H H 46 8.187 8.187 8.281 -0.094 18082 3199 1 9 . 1 1 47 47 GLU N N 47 118.876 118.876 119.018 -0.142 18082 3200 1 9 . 1 1 47 47 GLU HA H 47 3.988 3.988 3.993 -0.005 18082 3201 1 9 . 1 1 47 47 GLU CA C 47 59.179 59.179 58.821 0.358 18082 3202 1 9 . 1 1 47 47 GLU CB C 47 29.871 29.871 29.522 0.349 18082 3203 1 9 . 1 1 47 47 GLU H H 47 7.628 7.628 7.649 -0.021 18082 3204 1 9 . 1 1 48 48 LEU N N 48 119.668 119.668 121.406 -1.738 18082 3205 1 9 . 1 1 48 48 LEU HA H 48 3.952 3.952 4.016 -0.064 18082 3206 1 9 . 1 1 48 48 LEU CA C 48 57.831 57.831 58.274 -0.443 18082 3207 1 9 . 1 1 48 48 LEU CB C 48 42.435 42.435 42.044 0.391 18082 3208 1 9 . 1 1 48 48 LEU H H 48 8.104 8.104 8.249 -0.145 18082 3209 1 9 . 1 1 49 49 GLN N N 49 118.133 118.133 117.237 0.896 18082 3210 1 9 . 1 1 49 49 GLN HA H 49 3.851 3.851 3.981 -0.130 18082 3211 1 9 . 1 1 49 49 GLN CA C 49 58.616 58.616 58.836 -0.220 18082 3212 1 9 . 1 1 49 49 GLN CB C 49 28.202 28.202 28.606 -0.404 18082 3213 1 9 . 1 1 49 49 GLN H H 49 8.168 8.168 7.964 0.204 18082 3214 1 9 . 1 1 50 50 ASP N N 50 120.259 120.259 120.145 0.114 18082 3215 1 9 . 1 1 50 50 ASP HA H 50 4.459 4.459 4.467 -0.008 18082 3216 1 9 . 1 1 50 50 ASP CA C 50 57.787 57.787 56.617 1.170 18082 3217 1 9 . 1 1 50 50 ASP CB C 50 40.475 40.475 40.927 -0.452 18082 3218 1 9 . 1 1 50 50 ASP H H 50 8.053 8.053 8.062 -0.009 18082 3219 1 9 . 1 1 51 51 MET N N 51 119.290 119.290 118.523 0.767 18082 3220 1 9 . 1 1 51 51 MET HA H 51 4.095 4.095 4.211 -0.116 18082 3221 1 9 . 1 1 51 51 MET CA C 51 60.031 60.031 57.905 2.126 18082 3222 1 9 . 1 1 51 51 MET CB C 51 33.629 33.629 32.173 1.456 18082 3223 1 9 . 1 1 51 51 MET H H 51 7.948 7.948 7.820 0.128 18082 3224 1 9 . 1 1 52 52 ILE N N 52 119.018 119.018 119.393 -0.375 18082 3225 1 9 . 1 1 52 52 ILE HA H 52 3.942 3.942 3.917 0.025 18082 3226 1 9 . 1 1 52 52 ILE CA C 52 63.568 63.568 62.199 1.369 18082 3227 1 9 . 1 1 52 52 ILE CB C 52 36.623 36.623 37.605 -0.982 18082 3228 1 9 . 1 1 52 52 ILE H H 52 7.793 7.793 7.674 0.119 18082 3229 1 9 . 1 1 53 53 ASN N N 53 118.406 118.406 116.608 1.798 18082 3230 1 9 . 1 1 53 53 ASN HA H 53 4.427 4.427 4.502 -0.075 18082 3231 1 9 . 1 1 53 53 ASN CA C 53 56.145 56.145 55.002 1.143 18082 3232 1 9 . 1 1 53 53 ASN CB C 53 38.100 38.100 38.678 -0.578 18082 3233 1 9 . 1 1 53 53 ASN H H 53 8.853 8.853 7.509 1.344 18082 3234 1 9 . 1 1 54 54 GLU N N 54 116.393 116.393 118.144 -1.751 18082 3235 1 9 . 1 1 54 54 GLU HA H 54 4.064 4.064 4.382 -0.318 18082 3236 1 9 . 1 1 54 54 GLU CA C 54 59.025 59.025 56.792 2.233 18082 3237 1 9 . 1 1 54 54 GLU CB C 54 30.347 30.347 29.719 0.628 18082 3238 1 9 . 1 1 54 54 GLU H H 54 7.723 7.723 7.600 0.123 18082 3239 1 9 . 1 1 55 55 VAL N N 55 112.052 112.052 117.735 -5.683 18082 3240 1 9 . 1 1 55 55 VAL HA H 55 4.206 4.206 4.124 0.082 18082 3241 1 9 . 1 1 55 55 VAL CA C 55 60.952 60.952 63.363 -2.411 18082 3242 1 9 . 1 1 55 55 VAL CB C 55 33.117 33.117 34.435 -1.318 18082 3243 1 9 . 1 1 55 55 VAL H H 55 7.154 7.154 7.423 -0.269 18082 3244 1 9 . 1 1 56 56 ASP N N 56 121.462 121.462 122.446 -0.984 18082 3245 1 9 . 1 1 56 56 ASP HA H 56 4.483 4.483 4.756 -0.273 18082 3246 1 9 . 1 1 56 56 ASP CA C 56 53.871 53.871 53.093 0.778 18082 3247 1 9 . 1 1 56 56 ASP CB C 56 40.414 40.414 40.707 -0.293 18082 3248 1 9 . 1 1 56 56 ASP H H 56 7.652 7.652 8.199 -0.547 18082 3249 1 9 . 1 1 57 57 ALA N N 57 131.294 131.294 129.047 2.247 18082 3250 1 9 . 1 1 57 57 ALA HA H 57 4.216 4.216 4.074 0.142 18082 3251 1 9 . 1 1 57 57 ALA CA C 57 54.533 54.533 54.323 0.210 18082 3252 1 9 . 1 1 57 57 ALA CB C 57 19.810 19.810 18.948 0.862 18082 3253 1 9 . 1 1 57 57 ALA H H 57 8.067 8.067 8.017 0.050 18082 3254 1 9 . 1 1 58 58 ASP N N 58 113.873 113.873 115.942 -2.069 18082 3255 1 9 . 1 1 58 58 ASP HA H 58 4.652 4.652 4.494 0.158 18082 3256 1 9 . 1 1 58 58 ASP CA C 58 52.885 52.885 53.745 -0.860 18082 3257 1 9 . 1 1 58 58 ASP CB C 58 39.916 39.916 40.328 -0.412 18082 3258 1 9 . 1 1 58 58 ASP H H 58 8.236 8.236 8.006 0.230 18082 3259 1 9 . 1 1 59 59 GLY N N 59 108.338 108.338 109.974 -1.636 18082 3260 1 9 . 1 1 59 59 GLY CA C 59 47.252 47.252 45.457 1.795 18082 3261 1 9 . 1 1 59 59 GLY H H 59 7.574 7.574 7.796 -0.222 18082 3262 1 9 . 1 1 60 60 ASN N N 60 118.885 118.885 118.863 0.022 18082 3263 1 9 . 1 1 60 60 ASN HA H 60 4.628 4.628 4.802 -0.174 18082 3264 1 9 . 1 1 60 60 ASN CA C 60 52.889 52.889 53.000 -0.111 18082 3265 1 9 . 1 1 60 60 ASN CB C 60 37.683 37.683 40.599 -2.916 18082 3266 1 9 . 1 1 60 60 ASN H H 60 8.167 8.167 9.435 -1.268 18082 3267 1 9 . 1 1 61 61 GLY N N 61 113.590 113.590 110.648 2.942 18082 3268 1 9 . 1 1 61 61 GLY CA C 61 45.648 45.648 45.351 0.297 18082 3269 1 9 . 1 1 61 61 GLY H H 61 10.620 10.620 9.214 1.406 18082 3270 1 9 . 1 1 62 62 THR N N 62 108.235 108.235 115.118 -6.883 18082 3271 1 9 . 1 1 62 62 THR HA H 62 4.822 4.822 5.299 -0.477 18082 3272 1 9 . 1 1 62 62 THR CA C 62 59.531 59.531 61.252 -1.721 18082 3273 1 9 . 1 1 62 62 THR CB C 62 72.479 72.479 72.259 0.220 18082 3274 1 9 . 1 1 62 62 THR H H 62 7.671 7.671 8.384 -0.713 18082 3275 1 9 . 1 1 63 63 ILE N N 63 124.438 124.438 125.758 -1.320 18082 3276 1 9 . 1 1 63 63 ILE HA H 63 5.357 5.357 4.756 0.601 18082 3277 1 9 . 1 1 63 63 ILE CA C 63 58.123 58.123 60.431 -2.308 18082 3278 1 9 . 1 1 63 63 ILE CB C 63 38.406 38.406 40.857 -2.451 18082 3279 1 9 . 1 1 63 63 ILE H H 63 8.816 8.816 8.671 0.145 18082 3280 1 9 . 1 1 64 64 ASP N N 64 128.393 128.393 127.924 0.469 18082 3281 1 9 . 1 1 64 64 ASP HA H 64 5.455 5.455 4.980 0.475 18082 3282 1 9 . 1 1 64 64 ASP CA C 64 51.924 51.924 52.953 -1.029 18082 3283 1 9 . 1 1 64 64 ASP CB C 64 42.237 42.237 43.725 -1.488 18082 3284 1 9 . 1 1 64 64 ASP H H 64 8.811 8.811 9.323 -0.512 18082 3285 1 9 . 1 1 65 65 PHE N N 65 118.159 118.159 119.907 -1.748 18082 3286 1 9 . 1 1 65 65 PHE HA H 65 3.993 3.993 4.481 -0.488 18082 3287 1 9 . 1 1 65 65 PHE CA C 65 63.050 63.050 63.762 -0.712 18082 3288 1 9 . 1 1 65 65 PHE CB C 65 35.932 35.932 36.313 -0.381 18082 3289 1 9 . 1 1 65 65 PHE H H 65 8.926 8.926 8.960 -0.034 18082 3290 1 9 . 1 1 66 66 PRO HA H 66 3.827 3.827 4.195 -0.368 18082 3291 1 9 . 1 1 66 66 PRO CA C 66 66.950 66.950 66.189 0.761 18082 3292 1 9 . 1 1 66 66 PRO CB C 66 30.758 30.758 31.221 -0.463 18082 3293 1 9 . 1 1 67 67 GLU N N 67 117.916 117.916 117.815 0.101 18082 3294 1 9 . 1 1 67 67 GLU HA H 67 3.988 3.988 4.148 -0.160 18082 3295 1 9 . 1 1 67 67 GLU CA C 67 59.100 59.100 59.057 0.042 18082 3296 1 9 . 1 1 67 67 GLU CB C 67 29.855 29.855 29.212 0.643 18082 3297 1 9 . 1 1 67 67 GLU H H 67 8.267 8.267 8.525 -0.258 18082 3298 1 9 . 1 1 68 68 PHE N N 68 123.365 123.365 119.666 3.699 18082 3299 1 9 . 1 1 68 68 PHE HA H 68 3.632 3.632 4.136 -0.504 18082 3300 1 9 . 1 1 68 68 PHE CA C 68 61.413 61.413 60.734 0.679 18082 3301 1 9 . 1 1 68 68 PHE CB C 68 40.628 40.628 39.932 0.695 18082 3302 1 9 . 1 1 68 68 PHE H H 68 8.631 8.631 8.187 0.444 18082 3303 1 9 . 1 1 69 69 LEU N N 69 120.250 120.250 117.845 2.405 18082 3304 1 9 . 1 1 69 69 LEU HA H 69 3.304 3.304 3.786 -0.482 18082 3305 1 9 . 1 1 69 69 LEU CA C 69 57.940 57.940 57.721 0.219 18082 3306 1 9 . 1 1 69 69 LEU CB C 69 41.342 41.342 41.861 -0.520 18082 3307 1 9 . 1 1 69 69 LEU H H 69 9.006 9.006 8.220 0.786 18082 3308 1 9 . 1 1 70 70 THR N N 70 114.585 114.585 111.563 3.022 18082 3309 1 9 . 1 1 70 70 THR HA H 70 3.640 3.640 4.249 -0.609 18082 3310 1 9 . 1 1 70 70 THR CA C 70 66.819 66.819 64.538 2.281 18082 3311 1 9 . 1 1 70 70 THR CB C 70 68.615 68.615 68.817 -0.202 18082 3312 1 9 . 1 1 70 70 THR H H 70 7.671 7.671 7.538 0.133 18082 3313 1 9 . 1 1 71 71 MET N N 71 120.319 120.319 121.088 -0.769 18082 3314 1 9 . 1 1 71 71 MET HA H 71 3.825 3.825 4.468 -0.643 18082 3315 1 9 . 1 1 71 71 MET CA C 71 58.513 58.513 56.978 1.535 18082 3316 1 9 . 1 1 71 71 MET CB C 71 30.796 30.796 33.076 -2.280 18082 3317 1 9 . 1 1 71 71 MET H H 71 7.095 7.095 7.642 -0.547 18082 3318 1 9 . 1 1 72 72 MET N N 72 118.715 118.715 119.152 -0.437 18082 3319 1 9 . 1 1 72 72 MET HA H 72 3.802 3.802 4.062 -0.260 18082 3320 1 9 . 1 1 72 72 MET CA C 72 56.247 56.247 56.223 0.024 18082 3321 1 9 . 1 1 72 72 MET CB C 72 30.368 30.368 31.835 -1.467 18082 3322 1 9 . 1 1 72 72 MET H H 72 8.004 8.004 7.460 0.544 18082 3323 1 9 . 1 1 73 73 ALA N N 73 121.244 121.244 117.656 3.588 18082 3324 1 9 . 1 1 73 73 ALA HA H 73 4.028 4.028 4.463 -0.435 18082 3325 1 9 . 1 1 73 73 ALA CA C 73 54.594 54.594 52.157 2.437 18082 3326 1 9 . 1 1 73 73 ALA CB C 73 18.233 18.233 18.986 -0.753 18082 3327 1 9 . 1 1 73 73 ALA H H 73 8.298 8.298 7.348 0.950 18082 3328 1 9 . 1 1 74 74 ARG N N 74 116.638 116.638 119.400 -2.762 18082 3329 1 9 . 1 1 74 74 ARG HA H 74 4.086 4.086 4.555 -0.469 18082 3330 1 9 . 1 1 74 74 ARG CA C 74 58.442 58.442 54.672 3.770 18082 3331 1 9 . 1 1 74 74 ARG CB C 74 30.239 30.239 30.935 -0.696 18082 3332 1 9 . 1 1 74 74 ARG H H 74 7.378 7.378 7.446 -0.068 18082 3333 1 9 . 1 1 75 75 LYS N N 75 118.910 118.910 119.408 -0.498 18082 3334 1 9 . 1 1 75 75 LYS HA H 75 4.208 4.208 4.184 0.024 18082 3335 1 9 . 1 1 75 75 LYS CA C 75 57.508 57.508 56.365 1.143 18082 3336 1 9 . 1 1 75 75 LYS CB C 75 32.532 32.532 32.791 -0.259 18082 3337 1 9 . 1 1 75 75 LYS H H 75 7.779 7.779 7.954 -0.175 18082 3338 1 9 . 1 1 76 76 MET N N 76 117.825 117.825 120.441 -2.616 18082 3339 1 9 . 1 1 76 76 MET HA H 76 4.353 4.353 4.564 -0.211 18082 3340 1 9 . 1 1 76 76 MET CA C 76 56.880 56.880 54.674 2.206 18082 3341 1 9 . 1 1 76 76 MET CB C 76 32.784 32.784 34.089 -1.304 18082 3342 1 9 . 1 1 76 76 MET H H 76 7.789 7.789 8.337 -0.548 18082 3343 1 9 . 1 1 77 77 LYS N N 77 119.283 119.283 123.140 -3.857 18082 3344 1 9 . 1 1 77 77 LYS HA H 77 4.355 4.355 4.356 -0.001 18082 3345 1 9 . 1 1 77 77 LYS CA C 77 56.490 56.490 56.458 0.032 18082 3346 1 9 . 1 1 77 77 LYS CB C 77 33.115 33.115 31.036 2.079 18082 3347 1 9 . 1 1 77 77 LYS H H 77 7.711 7.711 8.523 -0.812 18082 3348 1 9 . 1 1 78 78 ASP N N 78 121.107 121.107 121.327 -0.220 18082 3349 1 9 . 1 1 78 78 ASP HA H 78 4.695 4.695 4.875 -0.180 18082 3350 1 9 . 1 1 78 78 ASP CA C 78 54.680 54.680 53.026 1.654 18082 3351 1 9 . 1 1 78 78 ASP CB C 78 41.207 41.207 43.266 -2.059 18082 3352 1 9 . 1 1 78 78 ASP H H 78 8.089 8.089 7.951 0.138 18082 3353 1 9 . 1 1 79 79 THR N N 79 112.761 112.761 117.099 -4.338 18082 3354 1 9 . 1 1 79 79 THR HA H 79 4.390 4.390 4.469 -0.079 18082 3355 1 9 . 1 1 79 79 THR CA C 79 61.469 61.469 62.162 -0.693 18082 3356 1 9 . 1 1 79 79 THR CB C 79 70.178 70.178 68.226 1.952 18082 3357 1 9 . 1 1 79 79 THR H H 79 7.935 7.935 8.176 -0.241 18082 3358 1 10 . 1 1 2 2 ASP N N 2 117.390 117.390 120.050 -2.660 18082 3359 1 10 . 1 1 2 2 ASP HA H 2 4.521 4.521 4.700 -0.179 18082 3360 1 10 . 1 1 2 2 ASP CA C 2 55.014 55.014 54.144 0.870 18082 3361 1 10 . 1 1 2 2 ASP CB C 2 40.955 40.955 39.837 1.118 18082 3362 1 10 . 1 1 2 2 ASP H H 2 8.039 8.039 8.450 -0.411 18082 3363 1 10 . 1 1 3 3 GLN N N 3 118.072 118.072 119.898 -1.826 18082 3364 1 10 . 1 1 3 3 GLN HA H 3 4.357 4.357 4.416 -0.059 18082 3365 1 10 . 1 1 3 3 GLN CA C 3 55.636 55.636 56.490 -0.854 18082 3366 1 10 . 1 1 3 3 GLN CB C 3 29.695 29.695 30.152 -0.457 18082 3367 1 10 . 1 1 3 3 GLN H H 3 7.949 7.949 8.241 -0.292 18082 3368 1 10 . 1 1 4 4 LEU N N 4 121.793 121.793 121.853 -0.060 18082 3369 1 10 . 1 1 4 4 LEU HA H 4 4.692 4.692 4.543 0.149 18082 3370 1 10 . 1 1 4 4 LEU CA C 4 54.358 54.358 54.353 0.005 18082 3371 1 10 . 1 1 4 4 LEU CB C 4 43.712 43.712 40.243 3.469 18082 3372 1 10 . 1 1 4 4 LEU H H 4 7.841 7.841 8.147 -0.306 18082 3373 1 10 . 1 1 5 5 THR N N 5 112.587 112.587 115.799 -3.212 18082 3374 1 10 . 1 1 5 5 THR HA H 5 4.772 4.772 4.257 0.515 18082 3375 1 10 . 1 1 5 5 THR CA C 5 60.388 60.388 62.838 -2.450 18082 3376 1 10 . 1 1 5 5 THR CB C 5 71.243 71.243 69.551 1.692 18082 3377 1 10 . 1 1 5 5 THR H H 5 8.625 8.625 7.536 1.089 18082 3378 1 10 . 1 1 6 6 GLU N N 6 120.574 120.574 119.298 1.276 18082 3379 1 10 . 1 1 6 6 GLU HA H 6 3.976 3.976 4.227 -0.251 18082 3380 1 10 . 1 1 6 6 GLU CA C 6 60.180 60.180 57.225 2.955 18082 3381 1 10 . 1 1 6 6 GLU CB C 6 29.285 29.285 29.025 0.260 18082 3382 1 10 . 1 1 6 6 GLU H H 6 8.995 8.995 8.734 0.261 18082 3383 1 10 . 1 1 7 7 GLU N N 7 119.338 119.338 118.571 0.767 18082 3384 1 10 . 1 1 7 7 GLU HA H 7 4.063 4.063 4.340 -0.277 18082 3385 1 10 . 1 1 7 7 GLU CA C 7 60.062 60.062 57.327 2.735 18082 3386 1 10 . 1 1 7 7 GLU CB C 7 29.198 29.198 29.801 -0.603 18082 3387 1 10 . 1 1 7 7 GLU H H 7 8.678 8.678 8.268 0.410 18082 3388 1 10 . 1 1 8 8 GLN N N 8 120.308 120.308 118.190 2.118 18082 3389 1 10 . 1 1 8 8 GLN HA H 8 3.874 3.874 4.223 -0.349 18082 3390 1 10 . 1 1 8 8 GLN CA C 8 58.626 58.626 56.428 2.198 18082 3391 1 10 . 1 1 8 8 GLN CB C 8 29.201 29.201 29.483 -0.282 18082 3392 1 10 . 1 1 8 8 GLN H H 8 7.684 7.684 8.119 -0.435 18082 3393 1 10 . 1 1 9 9 ILE N N 9 119.371 119.371 120.323 -0.952 18082 3394 1 10 . 1 1 9 9 ILE HA H 9 3.675 3.675 3.950 -0.275 18082 3395 1 10 . 1 1 9 9 ILE CA C 9 66.241 66.241 64.855 1.386 18082 3396 1 10 . 1 1 9 9 ILE CB C 9 37.702 37.702 37.562 0.140 18082 3397 1 10 . 1 1 9 9 ILE H H 9 8.339 8.339 7.668 0.671 18082 3398 1 10 . 1 1 10 10 ALA N N 10 121.339 121.339 120.389 0.950 18082 3399 1 10 . 1 1 10 10 ALA HA H 10 4.118 4.118 4.033 0.085 18082 3400 1 10 . 1 1 10 10 ALA CA C 10 55.648 55.648 55.030 0.618 18082 3401 1 10 . 1 1 10 10 ALA CB C 10 17.908 17.908 18.274 -0.366 18082 3402 1 10 . 1 1 10 10 ALA H H 10 8.048 8.048 8.271 -0.223 18082 3403 1 10 . 1 1 11 11 GLU N N 11 119.886 119.886 116.932 2.954 18082 3404 1 10 . 1 1 11 11 GLU HA H 11 4.187 4.187 4.146 0.041 18082 3405 1 10 . 1 1 11 11 GLU CA C 11 59.577 59.577 57.753 1.824 18082 3406 1 10 . 1 1 11 11 GLU CB C 11 29.306 29.306 29.337 -0.031 18082 3407 1 10 . 1 1 11 11 GLU H H 11 7.792 7.792 7.564 0.228 18082 3408 1 10 . 1 1 12 12 PHE N N 12 119.957 119.957 118.749 1.208 18082 3409 1 10 . 1 1 12 12 PHE HA H 12 5.011 5.011 4.564 0.447 18082 3410 1 10 . 1 1 12 12 PHE CA C 12 59.173 59.173 59.510 -0.337 18082 3411 1 10 . 1 1 12 12 PHE CB C 12 37.617 37.617 39.282 -1.665 18082 3412 1 10 . 1 1 12 12 PHE H H 12 8.527 8.527 7.440 1.087 18082 3413 1 10 . 1 1 13 13 LYS N N 13 123.937 123.937 119.213 4.724 18082 3414 1 10 . 1 1 13 13 LYS HA H 13 4.015 4.015 4.360 -0.345 18082 3415 1 10 . 1 1 13 13 LYS CA C 13 60.169 60.169 59.175 0.994 18082 3416 1 10 . 1 1 13 13 LYS CB C 13 31.986 31.986 32.102 -0.116 18082 3417 1 10 . 1 1 13 13 LYS H H 13 9.246 9.246 8.192 1.054 18082 3418 1 10 . 1 1 14 14 GLU N N 14 120.885 120.885 119.976 0.909 18082 3419 1 10 . 1 1 14 14 GLU HA H 14 4.130 4.130 4.223 -0.093 18082 3420 1 10 . 1 1 14 14 GLU CA C 14 59.653 59.653 57.838 1.815 18082 3421 1 10 . 1 1 14 14 GLU CB C 14 29.125 29.125 29.204 -0.079 18082 3422 1 10 . 1 1 14 14 GLU H H 14 7.956 7.956 7.808 0.148 18082 3423 1 10 . 1 1 15 15 ALA N N 15 121.878 121.878 121.279 0.599 18082 3424 1 10 . 1 1 15 15 ALA HA H 15 4.257 4.257 4.144 0.113 18082 3425 1 10 . 1 1 15 15 ALA CA C 15 55.565 55.565 54.715 0.850 18082 3426 1 10 . 1 1 15 15 ALA CB C 15 18.237 18.237 17.992 0.245 18082 3427 1 10 . 1 1 15 15 ALA H H 15 8.129 8.129 7.392 0.737 18082 3428 1 10 . 1 1 16 16 PHE N N 16 118.993 118.993 113.134 5.859 18082 3429 1 10 . 1 1 16 16 PHE HA H 16 3.326 3.326 4.487 -1.161 18082 3430 1 10 . 1 1 16 16 PHE CA C 16 62.270 62.270 58.090 4.179 18082 3431 1 10 . 1 1 16 16 PHE CB C 16 39.695 39.695 37.805 1.890 18082 3432 1 10 . 1 1 16 16 PHE H H 16 8.800 8.800 7.085 1.715 18082 3433 1 10 . 1 1 17 17 SER N N 17 113.609 113.609 114.952 -1.343 18082 3434 1 10 . 1 1 17 17 SER HA H 17 4.166 4.166 4.649 -0.483 18082 3435 1 10 . 1 1 17 17 SER CA C 17 61.564 61.564 59.640 1.924 18082 3436 1 10 . 1 1 17 17 SER CB C 17 63.457 63.457 65.228 -1.772 18082 3437 1 10 . 1 1 17 17 SER H H 17 8.062 8.062 7.489 0.573 18082 3438 1 10 . 1 1 18 18 LEU N N 18 120.325 120.325 120.902 -0.577 18082 3439 1 10 . 1 1 18 18 LEU HA H 18 4.005 4.005 4.377 -0.372 18082 3440 1 10 . 1 1 18 18 LEU CA C 18 57.028 57.028 57.001 0.028 18082 3441 1 10 . 1 1 18 18 LEU CB C 18 41.523 41.523 42.611 -1.088 18082 3442 1 10 . 1 1 18 18 LEU H H 18 7.452 7.452 8.298 -0.846 18082 3443 1 10 . 1 1 19 19 PHE N N 19 113.738 113.738 120.969 -7.231 18082 3444 1 10 . 1 1 19 19 PHE HA H 19 4.245 4.245 4.306 -0.061 18082 3445 1 10 . 1 1 19 19 PHE CA C 19 59.530 59.530 60.178 -0.648 18082 3446 1 10 . 1 1 19 19 PHE CB C 19 41.928 41.928 39.966 1.962 18082 3447 1 10 . 1 1 19 19 PHE H H 19 7.187 7.187 7.554 -0.367 18082 3448 1 10 . 1 1 20 20 ASP N N 20 116.566 116.566 117.575 -1.009 18082 3449 1 10 . 1 1 20 20 ASP HA H 20 4.565 4.565 4.543 0.022 18082 3450 1 10 . 1 1 20 20 ASP CA C 20 52.488 52.488 54.420 -1.932 18082 3451 1 10 . 1 1 20 20 ASP CB C 20 39.280 39.280 42.537 -3.257 18082 3452 1 10 . 1 1 20 20 ASP H H 20 7.733 7.733 7.867 -0.134 18082 3453 1 10 . 1 1 21 21 LYS N N 21 124.387 124.387 123.375 1.012 18082 3454 1 10 . 1 1 21 21 LYS HA H 21 3.987 3.987 4.408 -0.421 18082 3455 1 10 . 1 1 21 21 LYS CA C 21 58.353 58.353 56.842 1.511 18082 3456 1 10 . 1 1 21 21 LYS CB C 21 32.514 32.514 33.234 -0.720 18082 3457 1 10 . 1 1 21 21 LYS H H 21 7.668 7.668 8.431 -0.763 18082 3458 1 10 . 1 1 22 22 ASP N N 22 114.142 114.142 117.919 -3.777 18082 3459 1 10 . 1 1 22 22 ASP HA H 22 4.594 4.594 4.629 -0.035 18082 3460 1 10 . 1 1 22 22 ASP CA C 22 52.934 52.934 54.591 -1.657 18082 3461 1 10 . 1 1 22 22 ASP CB C 22 39.645 39.645 42.099 -2.454 18082 3462 1 10 . 1 1 22 22 ASP H H 22 8.135 8.135 8.176 -0.041 18082 3463 1 10 . 1 1 23 23 GLY N N 23 109.286 109.286 109.075 0.211 18082 3464 1 10 . 1 1 23 23 GLY CA C 23 47.308 47.308 45.299 2.009 18082 3465 1 10 . 1 1 23 23 GLY H H 23 7.683 7.683 9.093 -1.410 18082 3466 1 10 . 1 1 24 24 ASP N N 24 120.949 120.949 120.317 0.632 18082 3467 1 10 . 1 1 24 24 ASP HA H 24 4.525 4.525 4.752 -0.227 18082 3468 1 10 . 1 1 24 24 ASP CA C 24 53.891 53.891 54.166 -0.275 18082 3469 1 10 . 1 1 24 24 ASP CB C 24 40.513 40.513 41.759 -1.246 18082 3470 1 10 . 1 1 24 24 ASP H H 24 8.477 8.477 8.425 0.052 18082 3471 1 10 . 1 1 25 25 GLY N N 25 112.905 112.905 110.413 2.492 18082 3472 1 10 . 1 1 25 25 GLY CA C 25 45.496 45.496 46.057 -0.561 18082 3473 1 10 . 1 1 25 25 GLY H H 25 10.567 10.567 8.094 2.473 18082 3474 1 10 . 1 1 26 26 THR N N 26 112.165 112.165 117.853 -5.688 18082 3475 1 10 . 1 1 26 26 THR HA H 26 5.421 5.421 3.985 1.436 18082 3476 1 10 . 1 1 26 26 THR CA C 26 59.692 59.692 63.896 -4.204 18082 3477 1 10 . 1 1 26 26 THR CB C 26 72.792 72.792 68.974 3.818 18082 3478 1 10 . 1 1 26 26 THR H H 26 8.238 8.238 7.691 0.547 18082 3479 1 10 . 1 1 27 27 ILE N N 27 126.801 126.801 128.407 -1.606 18082 3480 1 10 . 1 1 27 27 ILE HA H 27 4.846 4.846 4.227 0.619 18082 3481 1 10 . 1 1 27 27 ILE CA C 27 61.302 61.302 61.850 -0.548 18082 3482 1 10 . 1 1 27 27 ILE CB C 27 40.312 40.312 36.919 3.393 18082 3483 1 10 . 1 1 27 27 ILE H H 27 9.970 9.970 8.341 1.629 18082 3484 1 10 . 1 1 28 28 THR N N 28 116.315 116.315 121.316 -5.001 18082 3485 1 10 . 1 1 28 28 THR HA H 28 4.921 4.921 4.945 -0.024 18082 3486 1 10 . 1 1 28 28 THR CA C 28 59.359 59.359 59.889 -0.530 18082 3487 1 10 . 1 1 28 28 THR CB C 28 72.614 72.614 71.847 0.767 18082 3488 1 10 . 1 1 28 28 THR H H 28 8.356 8.356 8.529 -0.173 18082 3489 1 10 . 1 1 29 29 THR N N 29 113.124 113.124 116.447 -3.323 18082 3490 1 10 . 1 1 29 29 THR HA H 29 3.748 3.748 3.946 -0.198 18082 3491 1 10 . 1 1 29 29 THR CA C 29 66.445 66.445 66.281 0.164 18082 3492 1 10 . 1 1 29 29 THR CB C 29 68.069 68.069 68.360 -0.291 18082 3493 1 10 . 1 1 29 29 THR H H 29 9.115 9.115 8.902 0.213 18082 3494 1 10 . 1 1 30 30 LYS N N 30 120.485 120.485 122.806 -2.321 18082 3495 1 10 . 1 1 30 30 LYS HA H 30 4.106 4.106 4.055 0.051 18082 3496 1 10 . 1 1 30 30 LYS CA C 30 59.216 59.216 59.542 -0.327 18082 3497 1 10 . 1 1 30 30 LYS CB C 30 32.546 32.546 32.099 0.447 18082 3498 1 10 . 1 1 30 30 LYS H H 30 7.639 7.639 8.281 -0.642 18082 3499 1 10 . 1 1 31 31 GLU N N 31 121.786 121.786 118.931 2.855 18082 3500 1 10 . 1 1 31 31 GLU HA H 31 4.003 4.003 4.093 -0.090 18082 3501 1 10 . 1 1 31 31 GLU CA C 31 59.642 59.642 58.333 1.309 18082 3502 1 10 . 1 1 31 31 GLU CB C 31 29.605 29.605 29.343 0.261 18082 3503 1 10 . 1 1 31 31 GLU H H 31 7.693 7.693 7.801 -0.108 18082 3504 1 10 . 1 1 32 32 LEU N N 32 120.699 120.699 121.241 -0.542 18082 3505 1 10 . 1 1 32 32 LEU HA H 32 4.093 4.093 4.375 -0.282 18082 3506 1 10 . 1 1 32 32 LEU CA C 32 58.340 58.340 57.329 1.011 18082 3507 1 10 . 1 1 32 32 LEU CB C 32 42.173 42.173 42.165 0.008 18082 3508 1 10 . 1 1 32 32 LEU H H 32 8.585 8.585 7.536 1.049 18082 3509 1 10 . 1 1 33 33 GLY N N 33 106.061 106.061 104.742 1.319 18082 3510 1 10 . 1 1 33 33 GLY CA C 33 48.681 48.681 47.222 1.459 18082 3511 1 10 . 1 1 33 33 GLY H H 33 8.715 8.715 8.321 0.394 18082 3512 1 10 . 1 1 34 34 THR N N 34 118.195 118.195 115.596 2.599 18082 3513 1 10 . 1 1 34 34 THR HA H 34 3.929 3.929 3.977 -0.048 18082 3514 1 10 . 1 1 34 34 THR CA C 34 66.961 66.961 65.635 1.327 18082 3515 1 10 . 1 1 34 34 THR CB C 34 68.764 68.764 68.516 0.248 18082 3516 1 10 . 1 1 34 34 THR H H 34 7.947 7.947 7.577 0.370 18082 3517 1 10 . 1 1 35 35 VAL N N 35 122.412 122.412 122.084 0.328 18082 3518 1 10 . 1 1 35 35 VAL HA H 35 3.609 3.609 3.808 -0.199 18082 3519 1 10 . 1 1 35 35 VAL CA C 35 66.554 66.554 65.165 1.389 18082 3520 1 10 . 1 1 35 35 VAL CB C 35 31.479 31.479 31.387 0.092 18082 3521 1 10 . 1 1 35 35 VAL H H 35 7.760 7.760 7.298 0.462 18082 3522 1 10 . 1 1 36 36 MET N N 36 118.407 118.407 117.465 0.942 18082 3523 1 10 . 1 1 36 36 MET HA H 36 4.104 4.104 4.013 0.091 18082 3524 1 10 . 1 1 36 36 MET CA C 36 58.532 58.532 59.406 -0.874 18082 3525 1 10 . 1 1 36 36 MET CB C 36 30.782 30.782 32.096 -1.314 18082 3526 1 10 . 1 1 36 36 MET H H 36 8.583 8.583 7.445 1.138 18082 3527 1 10 . 1 1 37 37 ARG N N 37 119.070 119.070 119.624 -0.554 18082 3528 1 10 . 1 1 37 37 ARG HA H 37 4.789 4.789 4.015 0.774 18082 3529 1 10 . 1 1 37 37 ARG CA C 37 59.141 59.141 59.591 -0.450 18082 3530 1 10 . 1 1 37 37 ARG CB C 37 30.019 30.019 30.310 -0.291 18082 3531 1 10 . 1 1 37 37 ARG H H 37 8.499 8.499 8.462 0.037 18082 3532 1 10 . 1 1 38 38 SER N N 38 118.897 118.897 113.989 4.908 18082 3533 1 10 . 1 1 38 38 SER HA H 38 4.417 4.417 4.404 0.013 18082 3534 1 10 . 1 1 38 38 SER CA C 38 61.450 61.450 60.074 1.376 18082 3535 1 10 . 1 1 38 38 SER CB C 38 62.846 62.846 63.212 -0.366 18082 3536 1 10 . 1 1 38 38 SER H H 38 7.965 7.965 7.716 0.249 18082 3537 1 10 . 1 1 39 39 LEU N N 39 120.765 120.765 121.205 -0.440 18082 3538 1 10 . 1 1 39 39 LEU HA H 39 4.489 4.489 4.668 -0.179 18082 3539 1 10 . 1 1 39 39 LEU CA C 39 54.576 54.576 55.594 -1.018 18082 3540 1 10 . 1 1 39 39 LEU CB C 39 41.963 41.963 43.854 -1.891 18082 3541 1 10 . 1 1 39 39 LEU H H 39 7.387 7.387 7.314 0.073 18082 3542 1 10 . 1 1 40 40 GLY N N 40 107.022 107.022 106.124 0.898 18082 3543 1 10 . 1 1 40 40 GLY CA C 40 45.637 45.637 45.264 0.373 18082 3544 1 10 . 1 1 40 40 GLY H H 40 7.889 7.889 8.106 -0.217 18082 3545 1 10 . 1 1 41 41 GLN N N 41 118.231 118.231 117.839 0.392 18082 3546 1 10 . 1 1 41 41 GLN HA H 41 4.495 4.495 3.762 0.733 18082 3547 1 10 . 1 1 41 41 GLN CA C 41 54.440 54.440 56.022 -1.582 18082 3548 1 10 . 1 1 41 41 GLN CB C 41 30.703 30.703 28.624 2.079 18082 3549 1 10 . 1 1 41 41 GLN H H 41 7.747 7.747 7.833 -0.086 18082 3550 1 10 . 1 1 42 42 ASN N N 42 116.416 116.416 122.891 -6.475 18082 3551 1 10 . 1 1 42 42 ASN CA C 42 51.308 51.308 51.192 0.116 18082 3552 1 10 . 1 1 42 42 ASN CB C 42 39.272 39.272 39.371 -0.099 18082 3553 1 10 . 1 1 42 42 ASN H H 42 8.663 8.663 8.595 0.068 18082 3554 1 10 . 1 1 43 43 PRO HA H 43 4.742 4.742 4.520 0.222 18082 3555 1 10 . 1 1 43 43 PRO CA C 43 62.393 62.393 62.569 -0.176 18082 3556 1 10 . 1 1 43 43 PRO CB C 43 31.969 31.969 32.907 -0.938 18082 3557 1 10 . 1 1 44 44 THR N N 44 112.768 112.768 111.800 0.968 18082 3558 1 10 . 1 1 44 44 THR HA H 44 4.723 4.723 4.386 0.337 18082 3559 1 10 . 1 1 44 44 THR CA C 44 60.656 60.656 61.116 -0.460 18082 3560 1 10 . 1 1 44 44 THR CB C 44 71.220 71.220 70.475 0.745 18082 3561 1 10 . 1 1 44 44 THR H H 44 8.790 8.790 8.838 -0.048 18082 3562 1 10 . 1 1 45 45 GLU N N 45 120.454 120.454 122.430 -1.976 18082 3563 1 10 . 1 1 45 45 GLU HA H 45 3.970 3.970 3.994 -0.024 18082 3564 1 10 . 1 1 45 45 GLU CA C 45 60.178 60.178 60.558 -0.380 18082 3565 1 10 . 1 1 45 45 GLU CB C 45 29.056 29.056 28.636 0.420 18082 3566 1 10 . 1 1 45 45 GLU H H 45 8.771 8.771 8.955 -0.184 18082 3567 1 10 . 1 1 46 46 ALA N N 46 120.779 120.779 121.816 -1.037 18082 3568 1 10 . 1 1 46 46 ALA HA H 46 4.105 4.105 4.134 -0.029 18082 3569 1 10 . 1 1 46 46 ALA CA C 46 55.119 55.119 54.960 0.159 18082 3570 1 10 . 1 1 46 46 ALA CB C 46 18.275 18.275 18.139 0.136 18082 3571 1 10 . 1 1 46 46 ALA H H 46 8.187 8.187 8.284 -0.097 18082 3572 1 10 . 1 1 47 47 GLU N N 47 118.876 118.876 119.308 -0.432 18082 3573 1 10 . 1 1 47 47 GLU HA H 47 3.988 3.988 3.994 -0.006 18082 3574 1 10 . 1 1 47 47 GLU CA C 47 59.179 59.179 58.968 0.211 18082 3575 1 10 . 1 1 47 47 GLU CB C 47 29.871 29.871 29.598 0.273 18082 3576 1 10 . 1 1 47 47 GLU H H 47 7.628 7.628 7.626 0.002 18082 3577 1 10 . 1 1 48 48 LEU N N 48 119.668 119.668 120.998 -1.330 18082 3578 1 10 . 1 1 48 48 LEU HA H 48 3.952 3.952 4.009 -0.057 18082 3579 1 10 . 1 1 48 48 LEU CA C 48 57.831 57.831 58.224 -0.393 18082 3580 1 10 . 1 1 48 48 LEU CB C 48 42.435 42.435 41.989 0.446 18082 3581 1 10 . 1 1 48 48 LEU H H 48 8.104 8.104 8.497 -0.393 18082 3582 1 10 . 1 1 49 49 GLN N N 49 118.133 118.133 117.798 0.335 18082 3583 1 10 . 1 1 49 49 GLN HA H 49 3.851 3.851 4.015 -0.164 18082 3584 1 10 . 1 1 49 49 GLN CA C 49 58.616 58.616 58.750 -0.134 18082 3585 1 10 . 1 1 49 49 GLN CB C 49 28.202 28.202 28.700 -0.498 18082 3586 1 10 . 1 1 49 49 GLN H H 49 8.168 8.168 8.055 0.113 18082 3587 1 10 . 1 1 50 50 ASP N N 50 120.259 120.259 120.456 -0.197 18082 3588 1 10 . 1 1 50 50 ASP HA H 50 4.459 4.459 4.427 0.032 18082 3589 1 10 . 1 1 50 50 ASP CA C 50 57.787 57.787 56.850 0.937 18082 3590 1 10 . 1 1 50 50 ASP CB C 50 40.475 40.475 40.847 -0.372 18082 3591 1 10 . 1 1 50 50 ASP H H 50 8.053 8.053 8.264 -0.211 18082 3592 1 10 . 1 1 51 51 MET N N 51 119.290 119.290 118.532 0.758 18082 3593 1 10 . 1 1 51 51 MET HA H 51 4.095 4.095 4.215 -0.120 18082 3594 1 10 . 1 1 51 51 MET CA C 51 60.031 60.031 58.179 1.852 18082 3595 1 10 . 1 1 51 51 MET CB C 51 33.629 33.629 32.126 1.503 18082 3596 1 10 . 1 1 51 51 MET H H 51 7.948 7.948 7.845 0.103 18082 3597 1 10 . 1 1 52 52 ILE N N 52 119.018 119.018 119.642 -0.624 18082 3598 1 10 . 1 1 52 52 ILE HA H 52 3.942 3.942 3.852 0.090 18082 3599 1 10 . 1 1 52 52 ILE CA C 52 63.568 63.568 62.888 0.680 18082 3600 1 10 . 1 1 52 52 ILE CB C 52 36.623 36.623 37.767 -1.145 18082 3601 1 10 . 1 1 52 52 ILE H H 52 7.793 7.793 7.677 0.116 18082 3602 1 10 . 1 1 53 53 ASN N N 53 118.406 118.406 117.070 1.336 18082 3603 1 10 . 1 1 53 53 ASN HA H 53 4.427 4.427 4.540 -0.113 18082 3604 1 10 . 1 1 53 53 ASN CA C 53 56.145 56.145 54.864 1.281 18082 3605 1 10 . 1 1 53 53 ASN CB C 53 38.100 38.100 38.781 -0.681 18082 3606 1 10 . 1 1 53 53 ASN H H 53 8.853 8.853 7.668 1.185 18082 3607 1 10 . 1 1 54 54 GLU N N 54 116.393 116.393 117.031 -0.638 18082 3608 1 10 . 1 1 54 54 GLU HA H 54 4.064 4.064 4.381 -0.317 18082 3609 1 10 . 1 1 54 54 GLU CA C 54 59.025 59.025 56.928 2.097 18082 3610 1 10 . 1 1 54 54 GLU CB C 54 30.347 30.347 29.640 0.707 18082 3611 1 10 . 1 1 54 54 GLU H H 54 7.723 7.723 7.663 0.060 18082 3612 1 10 . 1 1 55 55 VAL N N 55 112.052 112.052 117.740 -5.688 18082 3613 1 10 . 1 1 55 55 VAL HA H 55 4.206 4.206 4.144 0.062 18082 3614 1 10 . 1 1 55 55 VAL CA C 55 60.952 60.952 63.226 -2.274 18082 3615 1 10 . 1 1 55 55 VAL CB C 55 33.117 33.117 34.004 -0.887 18082 3616 1 10 . 1 1 55 55 VAL H H 55 7.154 7.154 7.278 -0.124 18082 3617 1 10 . 1 1 56 56 ASP N N 56 121.462 121.462 121.545 -0.083 18082 3618 1 10 . 1 1 56 56 ASP HA H 56 4.483 4.483 4.621 -0.138 18082 3619 1 10 . 1 1 56 56 ASP CA C 56 53.871 53.871 54.161 -0.290 18082 3620 1 10 . 1 1 56 56 ASP CB C 56 40.414 40.414 40.971 -0.557 18082 3621 1 10 . 1 1 56 56 ASP H H 56 7.652 7.652 8.163 -0.511 18082 3622 1 10 . 1 1 57 57 ALA N N 57 131.294 131.294 129.193 2.101 18082 3623 1 10 . 1 1 57 57 ALA HA H 57 4.216 4.216 4.178 0.038 18082 3624 1 10 . 1 1 57 57 ALA CA C 57 54.533 54.533 53.903 0.630 18082 3625 1 10 . 1 1 57 57 ALA CB C 57 19.810 19.810 19.158 0.652 18082 3626 1 10 . 1 1 57 57 ALA H H 57 8.067 8.067 8.068 -0.001 18082 3627 1 10 . 1 1 58 58 ASP N N 58 113.873 113.873 116.090 -2.217 18082 3628 1 10 . 1 1 58 58 ASP HA H 58 4.652 4.652 4.498 0.154 18082 3629 1 10 . 1 1 58 58 ASP CA C 58 52.885 52.885 53.672 -0.787 18082 3630 1 10 . 1 1 58 58 ASP CB C 58 39.916 39.916 39.962 -0.045 18082 3631 1 10 . 1 1 58 58 ASP H H 58 8.236 8.236 8.005 0.231 18082 3632 1 10 . 1 1 59 59 GLY N N 59 108.338 108.338 109.627 -1.289 18082 3633 1 10 . 1 1 59 59 GLY CA C 59 47.252 47.252 45.581 1.671 18082 3634 1 10 . 1 1 59 59 GLY H H 59 7.574 7.574 7.758 -0.184 18082 3635 1 10 . 1 1 60 60 ASN N N 60 118.885 118.885 119.032 -0.147 18082 3636 1 10 . 1 1 60 60 ASN HA H 60 4.628 4.628 4.802 -0.174 18082 3637 1 10 . 1 1 60 60 ASN CA C 60 52.889 52.889 52.842 0.047 18082 3638 1 10 . 1 1 60 60 ASN CB C 60 37.683 37.683 40.145 -2.462 18082 3639 1 10 . 1 1 60 60 ASN H H 60 8.167 8.167 9.409 -1.242 18082 3640 1 10 . 1 1 61 61 GLY N N 61 113.590 113.590 110.765 2.825 18082 3641 1 10 . 1 1 61 61 GLY CA C 61 45.648 45.648 45.896 -0.248 18082 3642 1 10 . 1 1 61 61 GLY H H 61 10.620 10.620 8.961 1.659 18082 3643 1 10 . 1 1 62 62 THR N N 62 108.235 108.235 113.324 -5.089 18082 3644 1 10 . 1 1 62 62 THR HA H 62 4.822 4.822 4.995 -0.173 18082 3645 1 10 . 1 1 62 62 THR CA C 62 59.531 59.531 61.275 -1.744 18082 3646 1 10 . 1 1 62 62 THR CB C 62 72.479 72.479 72.356 0.122 18082 3647 1 10 . 1 1 62 62 THR H H 62 7.671 7.671 7.848 -0.177 18082 3648 1 10 . 1 1 63 63 ILE N N 63 124.438 124.438 124.675 -0.237 18082 3649 1 10 . 1 1 63 63 ILE HA H 63 5.357 5.357 4.672 0.685 18082 3650 1 10 . 1 1 63 63 ILE CA C 63 58.123 58.123 60.091 -1.968 18082 3651 1 10 . 1 1 63 63 ILE CB C 63 38.406 38.406 40.135 -1.729 18082 3652 1 10 . 1 1 63 63 ILE H H 63 8.816 8.816 8.402 0.414 18082 3653 1 10 . 1 1 64 64 ASP N N 64 128.393 128.393 128.880 -0.487 18082 3654 1 10 . 1 1 64 64 ASP HA H 64 5.455 5.455 4.619 0.836 18082 3655 1 10 . 1 1 64 64 ASP CA C 64 51.924 51.924 53.380 -1.456 18082 3656 1 10 . 1 1 64 64 ASP CB C 64 42.237 42.237 43.570 -1.333 18082 3657 1 10 . 1 1 64 64 ASP H H 64 8.811 8.811 9.268 -0.457 18082 3658 1 10 . 1 1 65 65 PHE N N 65 118.159 118.159 118.799 -0.640 18082 3659 1 10 . 1 1 65 65 PHE HA H 65 3.993 3.993 4.361 -0.368 18082 3660 1 10 . 1 1 65 65 PHE CA C 65 63.050 63.050 63.808 -0.758 18082 3661 1 10 . 1 1 65 65 PHE CB C 65 35.932 35.932 36.673 -0.741 18082 3662 1 10 . 1 1 65 65 PHE H H 65 8.926 8.926 8.988 -0.062 18082 3663 1 10 . 1 1 66 66 PRO HA H 66 3.827 3.827 4.285 -0.458 18082 3664 1 10 . 1 1 66 66 PRO CA C 66 66.950 66.950 66.051 0.899 18082 3665 1 10 . 1 1 66 66 PRO CB C 66 30.758 30.758 31.193 -0.435 18082 3666 1 10 . 1 1 67 67 GLU N N 67 117.916 117.916 117.981 -0.065 18082 3667 1 10 . 1 1 67 67 GLU HA H 67 3.988 3.988 4.110 -0.122 18082 3668 1 10 . 1 1 67 67 GLU CA C 67 59.100 59.100 59.396 -0.296 18082 3669 1 10 . 1 1 67 67 GLU CB C 67 29.855 29.855 29.136 0.719 18082 3670 1 10 . 1 1 67 67 GLU H H 67 8.267 8.267 8.287 -0.020 18082 3671 1 10 . 1 1 68 68 PHE N N 68 123.365 123.365 121.763 1.602 18082 3672 1 10 . 1 1 68 68 PHE HA H 68 3.632 3.632 4.157 -0.525 18082 3673 1 10 . 1 1 68 68 PHE CA C 68 61.413 61.413 61.586 -0.173 18082 3674 1 10 . 1 1 68 68 PHE CB C 68 40.628 40.628 39.129 1.499 18082 3675 1 10 . 1 1 68 68 PHE H H 68 8.631 8.631 8.395 0.236 18082 3676 1 10 . 1 1 69 69 LEU N N 69 120.250 120.250 117.648 2.602 18082 3677 1 10 . 1 1 69 69 LEU HA H 69 3.304 3.304 3.802 -0.498 18082 3678 1 10 . 1 1 69 69 LEU CA C 69 57.940 57.940 57.901 0.039 18082 3679 1 10 . 1 1 69 69 LEU CB C 69 41.342 41.342 41.455 -0.113 18082 3680 1 10 . 1 1 69 69 LEU H H 69 9.006 9.006 7.762 1.244 18082 3681 1 10 . 1 1 70 70 THR N N 70 114.585 114.585 111.857 2.728 18082 3682 1 10 . 1 1 70 70 THR HA H 70 3.640 3.640 4.102 -0.462 18082 3683 1 10 . 1 1 70 70 THR CA C 70 66.819 66.819 65.019 1.800 18082 3684 1 10 . 1 1 70 70 THR CB C 70 68.615 68.615 68.871 -0.256 18082 3685 1 10 . 1 1 70 70 THR H H 70 7.671 7.671 7.207 0.464 18082 3686 1 10 . 1 1 71 71 MET N N 71 120.319 120.319 123.154 -2.835 18082 3687 1 10 . 1 1 71 71 MET HA H 71 3.825 3.825 4.103 -0.278 18082 3688 1 10 . 1 1 71 71 MET CA C 71 58.513 58.513 57.971 0.542 18082 3689 1 10 . 1 1 71 71 MET CB C 71 30.796 30.796 32.334 -1.538 18082 3690 1 10 . 1 1 71 71 MET H H 71 7.095 7.095 8.513 -1.418 18082 3691 1 10 . 1 1 72 72 MET N N 72 118.715 118.715 116.267 2.448 18082 3692 1 10 . 1 1 72 72 MET HA H 72 3.802 3.802 4.039 -0.237 18082 3693 1 10 . 1 1 72 72 MET CA C 72 56.247 56.247 54.816 1.431 18082 3694 1 10 . 1 1 72 72 MET CB C 72 30.368 30.368 31.317 -0.949 18082 3695 1 10 . 1 1 72 72 MET H H 72 8.004 8.004 7.617 0.387 18082 3696 1 10 . 1 1 73 73 ALA N N 73 121.244 121.244 118.713 2.531 18082 3697 1 10 . 1 1 73 73 ALA HA H 73 4.028 4.028 4.403 -0.375 18082 3698 1 10 . 1 1 73 73 ALA CA C 73 54.594 54.594 51.663 2.931 18082 3699 1 10 . 1 1 73 73 ALA CB C 73 18.233 18.233 19.194 -0.961 18082 3700 1 10 . 1 1 73 73 ALA H H 73 8.298 8.298 6.879 1.419 18082 3701 1 10 . 1 1 74 74 ARG N N 74 116.638 116.638 120.896 -4.258 18082 3702 1 10 . 1 1 74 74 ARG HA H 74 4.086 4.086 4.553 -0.467 18082 3703 1 10 . 1 1 74 74 ARG CA C 74 58.442 58.442 54.998 3.444 18082 3704 1 10 . 1 1 74 74 ARG CB C 74 30.239 30.239 29.755 0.484 18082 3705 1 10 . 1 1 74 74 ARG H H 74 7.378 7.378 7.427 -0.049 18082 3706 1 10 . 1 1 75 75 LYS N N 75 118.910 118.910 121.675 -2.765 18082 3707 1 10 . 1 1 75 75 LYS HA H 75 4.208 4.208 4.380 -0.172 18082 3708 1 10 . 1 1 75 75 LYS CA C 75 57.508 57.508 55.767 1.742 18082 3709 1 10 . 1 1 75 75 LYS CB C 75 32.532 32.532 33.095 -0.563 18082 3710 1 10 . 1 1 75 75 LYS H H 75 7.779 7.779 8.146 -0.367 18082 3711 1 10 . 1 1 76 76 MET N N 76 117.825 117.825 120.058 -2.233 18082 3712 1 10 . 1 1 76 76 MET HA H 76 4.353 4.353 4.498 -0.145 18082 3713 1 10 . 1 1 76 76 MET CA C 76 56.880 56.880 55.312 1.568 18082 3714 1 10 . 1 1 76 76 MET CB C 76 32.784 32.784 33.714 -0.930 18082 3715 1 10 . 1 1 76 76 MET H H 76 7.789 7.789 8.276 -0.487 18082 3716 1 10 . 1 1 77 77 LYS N N 77 119.283 119.283 120.899 -1.616 18082 3717 1 10 . 1 1 77 77 LYS HA H 77 4.355 4.355 4.457 -0.102 18082 3718 1 10 . 1 1 77 77 LYS CA C 77 56.490 56.490 56.239 0.251 18082 3719 1 10 . 1 1 77 77 LYS CB C 77 33.115 33.115 32.666 0.450 18082 3720 1 10 . 1 1 77 77 LYS H H 77 7.711 7.711 8.522 -0.811 18082 3721 1 10 . 1 1 78 78 ASP N N 78 121.107 121.107 119.788 1.319 18082 3722 1 10 . 1 1 78 78 ASP HA H 78 4.695 4.695 4.778 -0.083 18082 3723 1 10 . 1 1 78 78 ASP CA C 78 54.680 54.680 53.424 1.256 18082 3724 1 10 . 1 1 78 78 ASP CB C 78 41.207 41.207 41.984 -0.777 18082 3725 1 10 . 1 1 78 78 ASP H H 78 8.089 8.089 7.753 0.336 18082 3726 1 10 . 1 1 79 79 THR N N 79 112.761 112.761 116.403 -3.642 18082 3727 1 10 . 1 1 79 79 THR HA H 79 4.390 4.390 4.327 0.063 18082 3728 1 10 . 1 1 79 79 THR CA C 79 61.469 61.469 62.988 -1.519 18082 3729 1 10 . 1 1 79 79 THR CB C 79 70.178 70.178 69.120 1.058 18082 3730 1 10 . 1 1 79 79 THR H H 79 7.935 7.935 8.171 -0.236 18082 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 76 2.679 0.154 2.692 18082 2 1 1 "Average Difference" HA 83 0.324 0.047 0.322 18082 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18082 4 1 1 "Average Difference" CA 78 1.416 -0.427 1.358 18082 5 1 1 "Average Difference" CB 72 1.218 0.179 1.214 18082 6 1 1 "Average Difference" HN 76 0.661 -0.067 0.662 18082 7 1 2 "Average Difference" N 76 2.769 0.432 2.754 18082 8 1 2 "Average Difference" HA 83 0.347 0.024 0.349 18082 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18082 10 1 2 "Average Difference" CA 78 1.470 -0.336 1.441 18082 11 1 2 "Average Difference" CB 72 1.282 0.100 1.287 18082 12 1 2 "Average Difference" HN 76 0.635 -0.065 0.636 18082 13 1 3 "Average Difference" N 76 2.686 0.371 2.678 18082 14 1 3 "Average Difference" HA 83 0.348 0.017 0.350 18082 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18082 16 1 3 "Average Difference" CA 78 1.391 -0.403 1.340 18082 17 1 3 "Average Difference" CB 72 1.201 0.118 1.203 18082 18 1 3 "Average Difference" HN 76 0.670 -0.103 0.666 18082 19 1 4 "Average Difference" N 76 2.653 0.340 2.649 18082 20 1 4 "Average Difference" HA 83 0.324 0.020 0.326 18082 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18082 22 1 4 "Average Difference" CA 78 1.347 -0.314 1.318 18082 23 1 4 "Average Difference" CB 72 1.210 0.110 1.214 18082 24 1 4 "Average Difference" HN 76 0.686 -0.055 0.688 18082 25 1 5 "Average Difference" N 76 2.741 0.287 2.744 18082 26 1 5 "Average Difference" HA 83 0.319 0.000 0.321 18082 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18082 28 1 5 "Average Difference" CA 78 1.443 -0.399 1.395 18082 29 1 5 "Average Difference" CB 72 1.313 0.078 1.320 18082 30 1 5 "Average Difference" HN 76 0.749 -0.137 0.741 18082 31 1 6 "Average Difference" N 76 2.600 0.255 2.604 18082 32 1 6 "Average Difference" HA 83 0.343 0.001 0.345 18082 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18082 34 1 6 "Average Difference" CA 78 1.423 -0.356 1.387 18082 35 1 6 "Average Difference" CB 72 1.237 0.057 1.245 18082 36 1 6 "Average Difference" HN 76 0.639 -0.080 0.638 18082 37 1 7 "Average Difference" N 76 2.804 0.566 2.764 18082 38 1 7 "Average Difference" HA 83 0.372 0.008 0.374 18082 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18082 40 1 7 "Average Difference" CA 78 1.461 -0.364 1.424 18082 41 1 7 "Average Difference" CB 72 1.266 0.082 1.272 18082 42 1 7 "Average Difference" HN 76 0.644 -0.135 0.634 18082 43 1 8 "Average Difference" N 76 2.840 0.313 2.841 18082 44 1 8 "Average Difference" HA 83 0.331 0.052 0.328 18082 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18082 46 1 8 "Average Difference" CA 78 1.381 -0.467 1.308 18082 47 1 8 "Average Difference" CB 72 1.344 0.206 1.337 18082 48 1 8 "Average Difference" HN 76 0.632 -0.077 0.631 18082 49 1 9 "Average Difference" N 76 2.757 0.335 2.755 18082 50 1 9 "Average Difference" HA 83 0.346 0.048 0.345 18082 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18082 52 1 9 "Average Difference" CA 78 1.501 -0.433 1.446 18082 53 1 9 "Average Difference" CB 72 1.432 0.181 1.430 18082 54 1 9 "Average Difference" HN 76 0.622 -0.091 0.619 18082 55 1 10 "Average Difference" N 76 2.593 0.350 2.587 18082 56 1 10 "Average Difference" HA 83 0.375 0.014 0.377 18082 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18082 58 1 10 "Average Difference" CA 78 1.494 -0.367 1.458 18082 59 1 10 "Average Difference" CB 72 1.278 0.072 1.285 18082 60 1 10 "Average Difference" HN 76 0.713 -0.147 0.702 18082 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 18082 _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 ASP N N 2 117.390 117.390 119.995 -2.606 18082 2 1 . 1 1 2 2 ASP HA H 2 4.521 4.521 4.675 -0.154 18082 3 1 . 1 1 2 2 ASP CA C 2 55.014 55.014 54.569 0.445 18082 4 1 . 1 1 2 2 ASP CB C 2 40.955 40.955 40.181 0.774 18082 5 1 . 1 1 2 2 ASP H H 2 8.039 8.039 8.438 -0.399 18082 6 1 . 1 1 3 3 GLN N N 3 118.072 118.072 121.498 -3.426 18082 7 1 . 1 1 3 3 GLN HA H 3 4.357 4.357 4.362 -0.005 18082 8 1 . 1 1 3 3 GLN CA C 3 55.636 55.636 56.772 -1.136 18082 9 1 . 1 1 3 3 GLN CB C 3 29.695 29.695 29.728 -0.033 18082 10 1 . 1 1 3 3 GLN H H 3 7.949 7.949 8.144 -0.195 18082 11 1 . 1 1 4 4 LEU N N 4 121.793 121.793 121.858 -0.065 18082 12 1 . 1 1 4 4 LEU HA H 4 4.692 4.692 4.497 0.195 18082 13 1 . 1 1 4 4 LEU CA C 4 54.358 54.358 54.496 -0.138 18082 14 1 . 1 1 4 4 LEU CB C 4 43.712 43.712 40.770 2.942 18082 15 1 . 1 1 4 4 LEU H H 4 7.841 7.841 8.271 -0.430 18082 16 1 . 1 1 5 5 THR N N 5 112.587 112.587 115.421 -2.834 18082 17 1 . 1 1 5 5 THR HA H 5 4.772 4.772 4.263 0.509 18082 18 1 . 1 1 5 5 THR CA C 5 60.388 60.388 62.698 -2.310 18082 19 1 . 1 1 5 5 THR CB C 5 71.243 71.243 69.621 1.622 18082 20 1 . 1 1 5 5 THR H H 5 8.625 8.625 7.817 0.808 18082 21 1 . 1 1 6 6 GLU N N 6 120.574 120.574 119.446 1.128 18082 22 1 . 1 1 6 6 GLU HA H 6 3.976 3.976 4.162 -0.186 18082 23 1 . 1 1 6 6 GLU CA C 6 60.180 60.180 57.207 2.973 18082 24 1 . 1 1 6 6 GLU CB C 6 29.285 29.285 29.241 0.044 18082 25 1 . 1 1 6 6 GLU H H 6 8.995 8.995 8.732 0.263 18082 26 1 . 1 1 7 7 GLU N N 7 119.338 119.338 118.558 0.780 18082 27 1 . 1 1 7 7 GLU HA H 7 4.063 4.063 4.344 -0.281 18082 28 1 . 1 1 7 7 GLU CA C 7 60.062 60.062 57.195 2.867 18082 29 1 . 1 1 7 7 GLU CB C 7 29.198 29.198 29.623 -0.425 18082 30 1 . 1 1 7 7 GLU H H 7 8.678 8.678 8.228 0.451 18082 31 1 . 1 1 8 8 GLN N N 8 120.308 120.308 118.787 1.522 18082 32 1 . 1 1 8 8 GLN HA H 8 3.874 3.874 4.099 -0.225 18082 33 1 . 1 1 8 8 GLN CA C 8 58.626 58.626 57.345 1.281 18082 34 1 . 1 1 8 8 GLN CB C 8 29.201 29.201 29.034 0.167 18082 35 1 . 1 1 8 8 GLN H H 8 7.684 7.684 8.207 -0.523 18082 36 1 . 1 1 9 9 ILE N N 9 119.371 119.371 119.835 -0.464 18082 37 1 . 1 1 9 9 ILE HA H 9 3.675 3.675 3.783 -0.108 18082 38 1 . 1 1 9 9 ILE CA C 9 66.241 66.241 64.470 1.770 18082 39 1 . 1 1 9 9 ILE CB C 9 37.702 37.702 37.463 0.240 18082 40 1 . 1 1 9 9 ILE H H 9 8.339 8.339 7.656 0.683 18082 41 1 . 1 1 10 10 ALA N N 10 121.339 121.339 120.363 0.976 18082 42 1 . 1 1 10 10 ALA HA H 10 4.118 4.118 4.033 0.085 18082 43 1 . 1 1 10 10 ALA CA C 10 55.648 55.648 54.923 0.725 18082 44 1 . 1 1 10 10 ALA CB C 10 17.908 17.908 18.158 -0.250 18082 45 1 . 1 1 10 10 ALA H H 10 8.048 8.048 8.153 -0.105 18082 46 1 . 1 1 11 11 GLU N N 11 119.886 119.886 117.346 2.539 18082 47 1 . 1 1 11 11 GLU HA H 11 4.187 4.187 4.197 -0.010 18082 48 1 . 1 1 11 11 GLU CA C 11 59.577 59.577 57.805 1.772 18082 49 1 . 1 1 11 11 GLU CB C 11 29.306 29.306 29.586 -0.280 18082 50 1 . 1 1 11 11 GLU H H 11 7.792 7.792 7.616 0.176 18082 51 1 . 1 1 12 12 PHE N N 12 119.957 119.957 118.930 1.027 18082 52 1 . 1 1 12 12 PHE HA H 12 5.011 5.011 4.472 0.539 18082 53 1 . 1 1 12 12 PHE CA C 12 59.173 59.173 59.499 -0.326 18082 54 1 . 1 1 12 12 PHE CB C 12 37.617 37.617 38.821 -1.204 18082 55 1 . 1 1 12 12 PHE H H 12 8.527 8.527 7.359 1.168 18082 56 1 . 1 1 13 13 LYS N N 13 123.937 123.937 119.104 4.833 18082 57 1 . 1 1 13 13 LYS HA H 13 4.015 4.015 4.220 -0.205 18082 58 1 . 1 1 13 13 LYS CA C 13 60.169 60.169 59.614 0.554 18082 59 1 . 1 1 13 13 LYS CB C 13 31.986 31.986 32.115 -0.130 18082 60 1 . 1 1 13 13 LYS H H 13 9.246 9.246 8.052 1.194 18082 61 1 . 1 1 14 14 GLU N N 14 120.885 120.885 119.311 1.575 18082 62 1 . 1 1 14 14 GLU HA H 14 4.130 4.130 4.135 -0.005 18082 63 1 . 1 1 14 14 GLU CA C 14 59.653 59.653 58.712 0.941 18082 64 1 . 1 1 14 14 GLU CB C 14 29.125 29.125 28.996 0.130 18082 65 1 . 1 1 14 14 GLU H H 14 7.956 7.956 7.866 0.090 18082 66 1 . 1 1 15 15 ALA N N 15 121.878 121.878 121.599 0.279 18082 67 1 . 1 1 15 15 ALA HA H 15 4.257 4.257 4.037 0.221 18082 68 1 . 1 1 15 15 ALA CA C 15 55.565 55.565 54.802 0.763 18082 69 1 . 1 1 15 15 ALA CB C 15 18.237 18.237 17.848 0.389 18082 70 1 . 1 1 15 15 ALA H H 15 8.129 8.129 7.395 0.734 18082 71 1 . 1 1 16 16 PHE N N 16 118.993 118.993 112.583 6.410 18082 72 1 . 1 1 16 16 PHE HA H 16 3.326 3.326 4.414 -1.088 18082 73 1 . 1 1 16 16 PHE CA C 16 62.270 62.270 58.343 3.927 18082 74 1 . 1 1 16 16 PHE CB C 16 39.695 39.695 37.858 1.837 18082 75 1 . 1 1 16 16 PHE H H 16 8.800 8.800 7.304 1.496 18082 76 1 . 1 1 17 17 SER N N 17 113.609 113.609 114.365 -0.756 18082 77 1 . 1 1 17 17 SER HA H 17 4.166 4.166 4.624 -0.458 18082 78 1 . 1 1 17 17 SER CA C 17 61.564 61.564 60.116 1.448 18082 79 1 . 1 1 17 17 SER CB C 17 63.457 63.457 65.328 -1.871 18082 80 1 . 1 1 17 17 SER H H 17 8.062 8.062 7.539 0.523 18082 81 1 . 1 1 18 18 LEU N N 18 120.325 120.325 120.778 -0.453 18082 82 1 . 1 1 18 18 LEU HA H 18 4.005 4.005 4.402 -0.397 18082 83 1 . 1 1 18 18 LEU CA C 18 57.028 57.028 56.648 0.380 18082 84 1 . 1 1 18 18 LEU CB C 18 41.523 41.523 42.634 -1.111 18082 85 1 . 1 1 18 18 LEU H H 18 7.452 7.452 8.367 -0.915 18082 86 1 . 1 1 19 19 PHE N N 19 113.738 113.738 120.794 -7.056 18082 87 1 . 1 1 19 19 PHE HA H 19 4.245 4.245 4.308 -0.063 18082 88 1 . 1 1 19 19 PHE CA C 19 59.530 59.530 60.230 -0.700 18082 89 1 . 1 1 19 19 PHE CB C 19 41.928 41.928 40.096 1.832 18082 90 1 . 1 1 19 19 PHE H H 19 7.187 7.187 7.917 -0.730 18082 91 1 . 1 1 20 20 ASP N N 20 116.566 116.566 117.382 -0.816 18082 92 1 . 1 1 20 20 ASP HA H 20 4.565 4.565 4.583 -0.018 18082 93 1 . 1 1 20 20 ASP CA C 20 52.488 52.488 54.384 -1.896 18082 94 1 . 1 1 20 20 ASP CB C 20 39.280 39.280 42.511 -3.231 18082 95 1 . 1 1 20 20 ASP H H 20 7.733 7.733 7.722 0.011 18082 96 1 . 1 1 21 21 LYS N N 21 124.387 124.387 123.009 1.378 18082 97 1 . 1 1 21 21 LYS HA H 21 3.987 3.987 4.476 -0.489 18082 98 1 . 1 1 21 21 LYS CA C 21 58.353 58.353 56.020 2.333 18082 99 1 . 1 1 21 21 LYS CB C 21 32.514 32.514 32.913 -0.399 18082 100 1 . 1 1 21 21 LYS H H 21 7.668 7.668 8.461 -0.793 18082 101 1 . 1 1 22 22 ASP N N 22 114.142 114.142 118.745 -4.603 18082 102 1 . 1 1 22 22 ASP HA H 22 4.594 4.594 4.660 -0.066 18082 103 1 . 1 1 22 22 ASP CA C 22 52.934 52.934 54.827 -1.893 18082 104 1 . 1 1 22 22 ASP CB C 22 39.645 39.645 42.419 -2.775 18082 105 1 . 1 1 22 22 ASP H H 22 8.135 8.135 8.241 -0.106 18082 106 1 . 1 1 23 23 GLY N N 23 109.286 109.286 108.736 0.550 18082 107 1 . 1 1 23 23 GLY CA C 23 47.308 47.308 45.266 2.042 18082 108 1 . 1 1 23 23 GLY H H 23 7.683 7.683 8.910 -1.227 18082 109 1 . 1 1 24 24 ASP N N 24 120.949 120.949 120.691 0.258 18082 110 1 . 1 1 24 24 ASP HA H 24 4.525 4.525 4.609 -0.083 18082 111 1 . 1 1 24 24 ASP CA C 24 53.891 53.891 53.942 -0.051 18082 112 1 . 1 1 24 24 ASP CB C 24 40.513 40.513 41.167 -0.653 18082 113 1 . 1 1 24 24 ASP H H 24 8.477 8.477 8.153 0.324 18082 114 1 . 1 1 25 25 GLY N N 25 112.905 112.905 109.198 3.706 18082 115 1 . 1 1 25 25 GLY CA C 25 45.496 45.496 45.628 -0.132 18082 116 1 . 1 1 25 25 GLY H H 25 10.567 10.567 8.587 1.980 18082 117 1 . 1 1 26 26 THR N N 26 112.165 112.165 112.952 -0.787 18082 118 1 . 1 1 26 26 THR HA H 26 5.421 5.421 4.760 0.661 18082 119 1 . 1 1 26 26 THR CA C 26 59.692 59.692 60.951 -1.259 18082 120 1 . 1 1 26 26 THR CB C 26 72.792 72.792 71.054 1.738 18082 121 1 . 1 1 26 26 THR H H 26 8.238 8.238 8.271 -0.033 18082 122 1 . 1 1 27 27 ILE N N 27 126.801 126.801 126.387 0.414 18082 123 1 . 1 1 27 27 ILE HA H 27 4.846 4.846 4.334 0.512 18082 124 1 . 1 1 27 27 ILE CA C 27 61.302 61.302 61.762 -0.460 18082 125 1 . 1 1 27 27 ILE CB C 27 40.312 40.312 37.033 3.279 18082 126 1 . 1 1 27 27 ILE H H 27 9.970 9.970 8.495 1.475 18082 127 1 . 1 1 28 28 THR N N 28 116.315 116.315 120.894 -4.579 18082 128 1 . 1 1 28 28 THR HA H 28 4.921 4.921 5.186 -0.265 18082 129 1 . 1 1 28 28 THR CA C 28 59.359 59.359 59.737 -0.378 18082 130 1 . 1 1 28 28 THR CB C 28 72.614 72.614 71.884 0.730 18082 131 1 . 1 1 28 28 THR H H 28 8.356 8.356 8.690 -0.334 18082 132 1 . 1 1 29 29 THR N N 29 113.124 113.124 115.997 -2.873 18082 133 1 . 1 1 29 29 THR HA H 29 3.748 3.748 3.937 -0.189 18082 134 1 . 1 1 29 29 THR CA C 29 66.445 66.445 66.475 -0.030 18082 135 1 . 1 1 29 29 THR CB C 29 68.069 68.069 68.255 -0.186 18082 136 1 . 1 1 29 29 THR H H 29 9.115 9.115 8.901 0.214 18082 137 1 . 1 1 30 30 LYS N N 30 120.485 120.485 122.735 -2.250 18082 138 1 . 1 1 30 30 LYS HA H 30 4.106 4.106 3.986 0.120 18082 139 1 . 1 1 30 30 LYS CA C 30 59.216 59.216 59.772 -0.557 18082 140 1 . 1 1 30 30 LYS CB C 30 32.546 32.546 32.177 0.369 18082 141 1 . 1 1 30 30 LYS H H 30 7.639 7.639 8.125 -0.486 18082 142 1 . 1 1 31 31 GLU N N 31 121.786 121.786 118.997 2.790 18082 143 1 . 1 1 31 31 GLU HA H 31 4.003 4.003 4.003 -0.000 18082 144 1 . 1 1 31 31 GLU CA C 31 59.642 59.642 58.595 1.047 18082 145 1 . 1 1 31 31 GLU CB C 31 29.605 29.605 29.251 0.354 18082 146 1 . 1 1 31 31 GLU H H 31 7.693 7.693 7.867 -0.174 18082 147 1 . 1 1 32 32 LEU N N 32 120.699 120.699 120.992 -0.293 18082 148 1 . 1 1 32 32 LEU HA H 32 4.093 4.093 4.369 -0.276 18082 149 1 . 1 1 32 32 LEU CA C 32 58.340 58.340 57.418 0.922 18082 150 1 . 1 1 32 32 LEU CB C 32 42.173 42.173 42.087 0.086 18082 151 1 . 1 1 32 32 LEU H H 32 8.585 8.585 7.722 0.863 18082 152 1 . 1 1 33 33 GLY N N 33 106.061 106.061 104.998 1.063 18082 153 1 . 1 1 33 33 GLY CA C 33 48.681 48.681 47.254 1.427 18082 154 1 . 1 1 33 33 GLY H H 33 8.715 8.715 8.392 0.323 18082 155 1 . 1 1 34 34 THR N N 34 118.195 118.195 116.329 1.866 18082 156 1 . 1 1 34 34 THR HA H 34 3.929 3.929 3.905 0.024 18082 157 1 . 1 1 34 34 THR CA C 34 66.961 66.961 65.799 1.163 18082 158 1 . 1 1 34 34 THR CB C 34 68.764 68.764 68.540 0.225 18082 159 1 . 1 1 34 34 THR H H 34 7.947 7.947 7.636 0.311 18082 160 1 . 1 1 35 35 VAL N N 35 122.412 122.412 121.746 0.666 18082 161 1 . 1 1 35 35 VAL HA H 35 3.609 3.609 3.747 -0.138 18082 162 1 . 1 1 35 35 VAL CA C 35 66.554 66.554 65.388 1.166 18082 163 1 . 1 1 35 35 VAL CB C 35 31.479 31.479 31.509 -0.030 18082 164 1 . 1 1 35 35 VAL H H 35 7.760 7.760 7.302 0.458 18082 165 1 . 1 1 36 36 MET N N 36 118.407 118.407 118.215 0.192 18082 166 1 . 1 1 36 36 MET HA H 36 4.104 4.104 4.046 0.058 18082 167 1 . 1 1 36 36 MET CA C 36 58.532 58.532 59.393 -0.861 18082 168 1 . 1 1 36 36 MET CB C 36 30.782 30.782 32.154 -1.372 18082 169 1 . 1 1 36 36 MET H H 36 8.583 8.583 7.512 1.071 18082 170 1 . 1 1 37 37 ARG N N 37 119.070 119.070 119.520 -0.450 18082 171 1 . 1 1 37 37 ARG HA H 37 4.789 4.789 4.035 0.754 18082 172 1 . 1 1 37 37 ARG CA C 37 59.141 59.141 59.602 -0.461 18082 173 1 . 1 1 37 37 ARG CB C 37 30.019 30.019 30.325 -0.306 18082 174 1 . 1 1 37 37 ARG H H 37 8.499 8.499 8.534 -0.034 18082 175 1 . 1 1 38 38 SER N N 38 118.897 118.897 113.818 5.079 18082 176 1 . 1 1 38 38 SER HA H 38 4.417 4.417 4.429 -0.012 18082 177 1 . 1 1 38 38 SER CA C 38 61.450 61.450 60.072 1.378 18082 178 1 . 1 1 38 38 SER CB C 38 62.846 62.846 63.229 -0.383 18082 179 1 . 1 1 38 38 SER H H 38 7.965 7.965 7.685 0.280 18082 180 1 . 1 1 39 39 LEU N N 39 120.765 120.765 121.363 -0.598 18082 181 1 . 1 1 39 39 LEU HA H 39 4.489 4.489 4.573 -0.084 18082 182 1 . 1 1 39 39 LEU CA C 39 54.576 54.576 55.695 -1.119 18082 183 1 . 1 1 39 39 LEU CB C 39 41.963 41.963 43.799 -1.836 18082 184 1 . 1 1 39 39 LEU H H 39 7.387 7.387 7.535 -0.148 18082 185 1 . 1 1 40 40 GLY N N 40 107.022 107.022 105.809 1.214 18082 186 1 . 1 1 40 40 GLY CA C 40 45.637 45.637 45.462 0.176 18082 187 1 . 1 1 40 40 GLY H H 40 7.889 7.889 8.148 -0.259 18082 188 1 . 1 1 41 41 GLN N N 41 118.231 118.231 118.125 0.106 18082 189 1 . 1 1 41 41 GLN HA H 41 4.495 4.495 3.829 0.666 18082 190 1 . 1 1 41 41 GLN CA C 41 54.440 54.440 56.338 -1.899 18082 191 1 . 1 1 41 41 GLN CB C 41 30.703 30.703 28.615 2.088 18082 192 1 . 1 1 41 41 GLN H H 41 7.747 7.747 7.892 -0.145 18082 193 1 . 1 1 42 42 ASN N N 42 116.416 116.416 121.234 -4.818 18082 194 1 . 1 1 42 42 ASN CA C 42 51.308 51.308 50.901 0.407 18082 195 1 . 1 1 42 42 ASN CB C 42 39.272 39.272 39.671 -0.399 18082 196 1 . 1 1 42 42 ASN H H 42 8.663 8.663 8.575 0.088 18082 197 1 . 1 1 43 43 PRO HA H 43 4.742 4.742 4.553 0.189 18082 198 1 . 1 1 43 43 PRO CA C 43 62.393 62.393 62.557 -0.164 18082 199 1 . 1 1 43 43 PRO CB C 43 31.969 31.969 32.844 -0.875 18082 200 1 . 1 1 44 44 THR N N 44 112.768 112.768 112.109 0.659 18082 201 1 . 1 1 44 44 THR HA H 44 4.723 4.723 4.381 0.342 18082 202 1 . 1 1 44 44 THR CA C 44 60.656 60.656 61.047 -0.391 18082 203 1 . 1 1 44 44 THR CB C 44 71.220 71.220 70.490 0.730 18082 204 1 . 1 1 44 44 THR H H 44 8.790 8.790 8.847 -0.057 18082 205 1 . 1 1 45 45 GLU N N 45 120.454 120.454 122.001 -1.547 18082 206 1 . 1 1 45 45 GLU HA H 45 3.970 3.970 3.984 -0.014 18082 207 1 . 1 1 45 45 GLU CA C 45 60.178 60.178 60.352 -0.174 18082 208 1 . 1 1 45 45 GLU CB C 45 29.056 29.056 28.860 0.196 18082 209 1 . 1 1 45 45 GLU H H 45 8.771 8.771 8.957 -0.186 18082 210 1 . 1 1 46 46 ALA N N 46 120.779 120.779 122.044 -1.265 18082 211 1 . 1 1 46 46 ALA HA H 46 4.105 4.105 4.115 -0.010 18082 212 1 . 1 1 46 46 ALA CA C 46 55.119 55.119 55.047 0.072 18082 213 1 . 1 1 46 46 ALA CB C 46 18.275 18.275 18.170 0.105 18082 214 1 . 1 1 46 46 ALA H H 46 8.187 8.187 8.269 -0.082 18082 215 1 . 1 1 47 47 GLU N N 47 118.876 118.876 118.987 -0.111 18082 216 1 . 1 1 47 47 GLU HA H 47 3.988 3.988 4.018 -0.030 18082 217 1 . 1 1 47 47 GLU CA C 47 59.179 59.179 58.904 0.275 18082 218 1 . 1 1 47 47 GLU CB C 47 29.871 29.871 29.571 0.300 18082 219 1 . 1 1 47 47 GLU H H 47 7.628 7.628 7.646 -0.018 18082 220 1 . 1 1 48 48 LEU N N 48 119.668 119.668 121.058 -1.390 18082 221 1 . 1 1 48 48 LEU HA H 48 3.952 3.952 4.053 -0.101 18082 222 1 . 1 1 48 48 LEU CA C 48 57.831 57.831 58.019 -0.188 18082 223 1 . 1 1 48 48 LEU CB C 48 42.435 42.435 42.027 0.408 18082 224 1 . 1 1 48 48 LEU H H 48 8.104 8.104 8.132 -0.028 18082 225 1 . 1 1 49 49 GLN N N 49 118.133 118.133 118.401 -0.268 18082 226 1 . 1 1 49 49 GLN HA H 49 3.851 3.851 3.964 -0.113 18082 227 1 . 1 1 49 49 GLN CA C 49 58.616 58.616 59.055 -0.439 18082 228 1 . 1 1 49 49 GLN CB C 49 28.202 28.202 28.575 -0.373 18082 229 1 . 1 1 49 49 GLN H H 49 8.168 8.168 8.179 -0.011 18082 230 1 . 1 1 50 50 ASP N N 50 120.259 120.259 120.211 0.048 18082 231 1 . 1 1 50 50 ASP HA H 50 4.459 4.459 4.412 0.047 18082 232 1 . 1 1 50 50 ASP CA C 50 57.787 57.787 56.940 0.847 18082 233 1 . 1 1 50 50 ASP CB C 50 40.475 40.475 40.842 -0.367 18082 234 1 . 1 1 50 50 ASP H H 50 8.053 8.053 8.061 -0.008 18082 235 1 . 1 1 51 51 MET N N 51 119.290 119.290 118.070 1.220 18082 236 1 . 1 1 51 51 MET HA H 51 4.095 4.095 4.231 -0.136 18082 237 1 . 1 1 51 51 MET CA C 51 60.031 60.031 57.884 2.147 18082 238 1 . 1 1 51 51 MET CB C 51 33.629 33.629 32.238 1.391 18082 239 1 . 1 1 51 51 MET H H 51 7.948 7.948 7.684 0.264 18082 240 1 . 1 1 52 52 ILE N N 52 119.018 119.018 118.565 0.453 18082 241 1 . 1 1 52 52 ILE HA H 52 3.942 3.942 3.914 0.028 18082 242 1 . 1 1 52 52 ILE CA C 52 63.568 63.568 62.303 1.265 18082 243 1 . 1 1 52 52 ILE CB C 52 36.623 36.623 38.040 -1.417 18082 244 1 . 1 1 52 52 ILE H H 52 7.793 7.793 7.686 0.107 18082 245 1 . 1 1 53 53 ASN N N 53 118.406 118.406 117.886 0.520 18082 246 1 . 1 1 53 53 ASN HA H 53 4.427 4.427 4.511 -0.083 18082 247 1 . 1 1 53 53 ASN CA C 53 56.145 56.145 55.218 0.927 18082 248 1 . 1 1 53 53 ASN CB C 53 38.100 38.100 38.851 -0.751 18082 249 1 . 1 1 53 53 ASN H H 53 8.853 8.853 7.664 1.189 18082 250 1 . 1 1 54 54 GLU N N 54 116.393 116.393 117.730 -1.337 18082 251 1 . 1 1 54 54 GLU HA H 54 4.064 4.064 4.321 -0.257 18082 252 1 . 1 1 54 54 GLU CA C 54 59.025 59.025 57.331 1.694 18082 253 1 . 1 1 54 54 GLU CB C 54 30.347 30.347 29.747 0.600 18082 254 1 . 1 1 54 54 GLU H H 54 7.723 7.723 7.669 0.054 18082 255 1 . 1 1 55 55 VAL N N 55 112.052 112.052 117.459 -5.407 18082 256 1 . 1 1 55 55 VAL HA H 55 4.206 4.206 4.162 0.044 18082 257 1 . 1 1 55 55 VAL CA C 55 60.952 60.952 62.938 -1.986 18082 258 1 . 1 1 55 55 VAL CB C 55 33.117 33.117 34.110 -0.993 18082 259 1 . 1 1 55 55 VAL H H 55 7.154 7.154 7.283 -0.129 18082 260 1 . 1 1 56 56 ASP N N 56 121.462 121.462 121.744 -0.282 18082 261 1 . 1 1 56 56 ASP HA H 56 4.483 4.483 4.703 -0.220 18082 262 1 . 1 1 56 56 ASP CA C 56 53.871 53.871 53.620 0.251 18082 263 1 . 1 1 56 56 ASP CB C 56 40.414 40.414 41.105 -0.691 18082 264 1 . 1 1 56 56 ASP H H 56 7.652 7.652 8.019 -0.367 18082 265 1 . 1 1 57 57 ALA N N 57 131.294 131.294 128.746 2.548 18082 266 1 . 1 1 57 57 ALA HA H 57 4.216 4.216 4.143 0.073 18082 267 1 . 1 1 57 57 ALA CA C 57 54.533 54.533 53.904 0.629 18082 268 1 . 1 1 57 57 ALA CB C 57 19.810 19.810 19.111 0.699 18082 269 1 . 1 1 57 57 ALA H H 57 8.067 8.067 8.171 -0.104 18082 270 1 . 1 1 58 58 ASP N N 58 113.873 113.873 116.974 -3.101 18082 271 1 . 1 1 58 58 ASP HA H 58 4.652 4.652 4.475 0.177 18082 272 1 . 1 1 58 58 ASP CA C 58 52.885 52.885 54.031 -1.146 18082 273 1 . 1 1 58 58 ASP CB C 58 39.916 39.916 40.554 -0.638 18082 274 1 . 1 1 58 58 ASP H H 58 8.236 8.236 8.123 0.113 18082 275 1 . 1 1 59 59 GLY N N 59 108.338 108.338 109.430 -1.092 18082 276 1 . 1 1 59 59 GLY CA C 59 47.252 47.252 45.254 1.998 18082 277 1 . 1 1 59 59 GLY H H 59 7.574 7.574 8.066 -0.492 18082 278 1 . 1 1 60 60 ASN N N 60 118.885 118.885 118.024 0.861 18082 279 1 . 1 1 60 60 ASN HA H 60 4.628 4.628 4.827 -0.199 18082 280 1 . 1 1 60 60 ASN CA C 60 52.889 52.889 52.570 0.320 18082 281 1 . 1 1 60 60 ASN CB C 60 37.683 37.683 39.954 -2.271 18082 282 1 . 1 1 60 60 ASN H H 60 8.167 8.167 9.293 -1.126 18082 283 1 . 1 1 61 61 GLY N N 61 113.590 113.590 110.296 3.294 18082 284 1 . 1 1 61 61 GLY CA C 61 45.648 45.648 45.863 -0.215 18082 285 1 . 1 1 61 61 GLY H H 61 10.620 10.620 9.003 1.616 18082 286 1 . 1 1 62 62 THR N N 62 108.235 108.235 114.663 -6.428 18082 287 1 . 1 1 62 62 THR HA H 62 4.822 4.822 5.066 -0.244 18082 288 1 . 1 1 62 62 THR CA C 62 59.531 59.531 61.458 -1.927 18082 289 1 . 1 1 62 62 THR CB C 62 72.479 72.479 71.954 0.525 18082 290 1 . 1 1 62 62 THR H H 62 7.671 7.671 8.143 -0.472 18082 291 1 . 1 1 63 63 ILE N N 63 124.438 124.438 126.061 -1.623 18082 292 1 . 1 1 63 63 ILE HA H 63 5.357 5.357 4.719 0.638 18082 293 1 . 1 1 63 63 ILE CA C 63 58.123 58.123 60.258 -2.136 18082 294 1 . 1 1 63 63 ILE CB C 63 38.406 38.406 40.417 -2.011 18082 295 1 . 1 1 63 63 ILE H H 63 8.816 8.816 8.490 0.326 18082 296 1 . 1 1 64 64 ASP N N 64 128.393 128.393 128.227 0.166 18082 297 1 . 1 1 64 64 ASP HA H 64 5.455 5.455 4.869 0.586 18082 298 1 . 1 1 64 64 ASP CA C 64 51.924 51.924 52.698 -0.774 18082 299 1 . 1 1 64 64 ASP CB C 64 42.237 42.237 43.581 -1.344 18082 300 1 . 1 1 64 64 ASP H H 64 8.811 8.811 9.219 -0.408 18082 301 1 . 1 1 65 65 PHE N N 65 118.159 118.159 119.486 -1.327 18082 302 1 . 1 1 65 65 PHE HA H 65 3.993 3.993 4.406 -0.413 18082 303 1 . 1 1 65 65 PHE CA C 65 63.050 63.050 63.504 -0.454 18082 304 1 . 1 1 65 65 PHE CB C 65 35.932 35.932 36.358 -0.426 18082 305 1 . 1 1 65 65 PHE H H 65 8.926 8.926 8.973 -0.047 18082 306 1 . 1 1 66 66 PRO HA H 66 3.827 3.827 4.237 -0.410 18082 307 1 . 1 1 66 66 PRO CA C 66 66.950 66.950 66.266 0.684 18082 308 1 . 1 1 66 66 PRO CB C 66 30.758 30.758 31.192 -0.435 18082 309 1 . 1 1 67 67 GLU N N 67 117.916 117.916 118.436 -0.520 18082 310 1 . 1 1 67 67 GLU HA H 67 3.988 3.988 4.126 -0.138 18082 311 1 . 1 1 67 67 GLU CA C 67 59.100 59.100 59.417 -0.317 18082 312 1 . 1 1 67 67 GLU CB C 67 29.855 29.855 29.258 0.597 18082 313 1 . 1 1 67 67 GLU H H 67 8.267 8.267 8.234 0.033 18082 314 1 . 1 1 68 68 PHE N N 68 123.365 123.365 121.642 1.723 18082 315 1 . 1 1 68 68 PHE HA H 68 3.632 3.632 4.149 -0.517 18082 316 1 . 1 1 68 68 PHE CA C 68 61.413 61.413 61.534 -0.121 18082 317 1 . 1 1 68 68 PHE CB C 68 40.628 40.628 39.327 1.301 18082 318 1 . 1 1 68 68 PHE H H 68 8.631 8.631 8.591 0.040 18082 319 1 . 1 1 69 69 LEU N N 69 120.250 120.250 117.818 2.432 18082 320 1 . 1 1 69 69 LEU HA H 69 3.304 3.304 3.806 -0.502 18082 321 1 . 1 1 69 69 LEU CA C 69 57.940 57.940 57.705 0.235 18082 322 1 . 1 1 69 69 LEU CB C 69 41.342 41.342 41.636 -0.294 18082 323 1 . 1 1 69 69 LEU H H 69 9.006 9.006 8.413 0.593 18082 324 1 . 1 1 70 70 THR N N 70 114.585 114.585 112.905 1.680 18082 325 1 . 1 1 70 70 THR HA H 70 3.640 3.640 4.193 -0.553 18082 326 1 . 1 1 70 70 THR CA C 70 66.819 66.819 64.885 1.935 18082 327 1 . 1 1 70 70 THR CB C 70 68.615 68.615 69.077 -0.462 18082 328 1 . 1 1 70 70 THR H H 70 7.671 7.671 7.491 0.180 18082 329 1 . 1 1 71 71 MET N N 71 120.319 120.319 123.039 -2.720 18082 330 1 . 1 1 71 71 MET HA H 71 3.825 3.825 4.110 -0.285 18082 331 1 . 1 1 71 71 MET CA C 71 58.513 58.513 58.065 0.448 18082 332 1 . 1 1 71 71 MET CB C 71 30.796 30.796 32.497 -1.701 18082 333 1 . 1 1 71 71 MET H H 71 7.095 7.095 8.187 -1.092 18082 334 1 . 1 1 72 72 MET N N 72 118.715 118.715 116.816 1.898 18082 335 1 . 1 1 72 72 MET HA H 72 3.802 3.802 4.188 -0.387 18082 336 1 . 1 1 72 72 MET CA C 72 56.247 56.247 54.944 1.303 18082 337 1 . 1 1 72 72 MET CB C 72 30.368 30.368 31.405 -1.037 18082 338 1 . 1 1 72 72 MET H H 72 8.004 8.004 7.524 0.480 18082 339 1 . 1 1 73 73 ALA N N 73 121.244 121.244 120.272 0.972 18082 340 1 . 1 1 73 73 ALA HA H 73 4.028 4.028 4.446 -0.418 18082 341 1 . 1 1 73 73 ALA CA C 73 54.594 54.594 52.209 2.385 18082 342 1 . 1 1 73 73 ALA CB C 73 18.233 18.233 20.183 -1.950 18082 343 1 . 1 1 73 73 ALA H H 73 8.298 8.298 7.409 0.889 18082 344 1 . 1 1 74 74 ARG N N 74 116.638 116.638 121.276 -4.638 18082 345 1 . 1 1 74 74 ARG HA H 74 4.086 4.086 4.403 -0.317 18082 346 1 . 1 1 74 74 ARG CA C 74 58.442 58.442 55.170 3.272 18082 347 1 . 1 1 74 74 ARG CB C 74 30.239 30.239 29.139 1.100 18082 348 1 . 1 1 74 74 ARG H H 74 7.378 7.378 7.691 -0.313 18082 349 1 . 1 1 75 75 LYS N N 75 118.910 118.910 122.384 -3.474 18082 350 1 . 1 1 75 75 LYS HA H 75 4.208 4.208 4.366 -0.158 18082 351 1 . 1 1 75 75 LYS CA C 75 57.508 57.508 55.921 1.588 18082 352 1 . 1 1 75 75 LYS CB C 75 32.532 32.532 33.163 -0.631 18082 353 1 . 1 1 75 75 LYS H H 75 7.779 7.779 7.942 -0.163 18082 354 1 . 1 1 76 76 MET N N 76 117.825 117.825 121.046 -3.221 18082 355 1 . 1 1 76 76 MET HA H 76 4.353 4.353 4.526 -0.173 18082 356 1 . 1 1 76 76 MET CA C 76 56.880 56.880 55.179 1.701 18082 357 1 . 1 1 76 76 MET CB C 76 32.784 32.784 33.842 -1.057 18082 358 1 . 1 1 76 76 MET H H 76 7.789 7.789 8.379 -0.590 18082 359 1 . 1 1 77 77 LYS N N 77 119.283 119.283 120.968 -1.685 18082 360 1 . 1 1 77 77 LYS HA H 77 4.355 4.355 4.365 -0.010 18082 361 1 . 1 1 77 77 LYS CA C 77 56.490 56.490 56.420 0.070 18082 362 1 . 1 1 77 77 LYS CB C 77 33.115 33.115 32.165 0.951 18082 363 1 . 1 1 77 77 LYS H H 77 7.711 7.711 8.443 -0.732 18082 364 1 . 1 1 78 78 ASP N N 78 121.107 121.107 120.378 0.729 18082 365 1 . 1 1 78 78 ASP HA H 78 4.695 4.695 4.754 -0.059 18082 366 1 . 1 1 78 78 ASP CA C 78 54.680 54.680 53.636 1.044 18082 367 1 . 1 1 78 78 ASP CB C 78 41.207 41.207 42.181 -0.974 18082 368 1 . 1 1 78 78 ASP H H 78 8.089 8.089 7.912 0.177 18082 369 1 . 1 1 79 79 THR N N 79 112.761 112.761 117.015 -4.254 18082 370 1 . 1 1 79 79 THR HA H 79 4.390 4.390 4.423 -0.033 18082 371 1 . 1 1 79 79 THR CA C 79 61.469 61.469 62.278 -0.809 18082 372 1 . 1 1 79 79 THR CB C 79 70.178 70.178 68.863 1.315 18082 373 1 . 1 1 79 79 THR H H 79 7.935 7.935 8.250 -0.315 18082 stop_ save_