data_25123 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25123 _Entry.PDB_ID 2MSG 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 25123 _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 GLN N N 2 124.995 124.995 119.432 5.563 25123 2 1 1 . 1 1 2 2 GLN C C 2 175.129 175.129 174.906 0.223 25123 3 1 1 . 1 1 2 2 GLN CA C 2 54.151 54.151 55.958 -1.807 25123 4 1 1 . 1 1 2 2 GLN CB C 2 31.512 31.512 30.213 1.299 25123 5 1 1 . 1 1 3 3 ILE N N 3 115.187 115.187 118.624 -3.437 25123 6 1 1 . 1 1 3 3 ILE C C 3 172.341 172.341 174.086 -1.745 25123 7 1 1 . 1 1 3 3 ILE CA C 3 58.782 58.782 60.764 -1.982 25123 8 1 1 . 1 1 3 3 ILE CB C 3 41.724 41.724 41.996 -0.272 25123 9 1 1 . 1 1 4 4 PHE N N 4 119.217 119.217 125.037 -5.820 25123 10 1 1 . 1 1 4 4 PHE C C 4 175.271 175.271 174.878 0.393 25123 11 1 1 . 1 1 4 4 PHE CA C 4 54.724 54.724 54.784 -0.060 25123 12 1 1 . 1 1 4 4 PHE CB C 4 41.420 41.420 41.407 0.013 25123 13 1 1 . 1 1 5 5 VAL N N 5 120.981 120.981 121.624 -0.643 25123 14 1 1 . 1 1 5 5 VAL C C 5 175.475 175.475 174.228 1.247 25123 15 1 1 . 1 1 5 5 VAL CA C 5 59.985 59.985 60.882 -0.897 25123 16 1 1 . 1 1 5 5 VAL CB C 5 34.746 34.746 35.187 -0.441 25123 17 1 1 . 1 1 6 6 LYS N N 6 126.148 126.148 126.605 -0.457 25123 18 1 1 . 1 1 6 6 LYS C C 6 177.162 177.162 175.590 1.572 25123 19 1 1 . 1 1 6 6 LYS CA C 6 53.411 53.411 55.242 -1.831 25123 20 1 1 . 1 1 6 6 LYS CB C 6 33.816 33.816 35.318 -1.502 25123 21 1 1 . 1 1 7 7 THR N N 7 112.835 112.835 117.251 -4.416 25123 22 1 1 . 1 1 7 7 THR C C 7 177.658 177.658 175.842 1.816 25123 23 1 1 . 1 1 7 7 THR CA C 7 60.275 60.275 60.323 -0.048 25123 24 1 1 . 1 1 7 7 THR CB C 7 70.196 70.196 71.615 -1.419 25123 25 1 1 . 1 1 8 8 LEU N N 8 119.266 119.266 122.302 -3.036 25123 26 1 1 . 1 1 8 8 LEU C C 8 177.371 177.371 177.318 0.053 25123 27 1 1 . 1 1 8 8 LEU CA C 8 57.281 57.281 57.243 0.038 25123 28 1 1 . 1 1 8 8 LEU CB C 8 42.393 42.393 41.491 0.902 25123 29 1 1 . 1 1 9 9 THR N N 9 102.533 102.533 112.459 -9.926 25123 30 1 1 . 1 1 9 9 THR C C 9 175.626 175.626 175.505 0.121 25123 31 1 1 . 1 1 9 9 THR CA C 9 60.939 60.939 62.463 -1.524 25123 32 1 1 . 1 1 9 9 THR CB C 9 69.319 69.319 68.805 0.514 25123 33 1 1 . 1 1 10 10 GLY N N 10 109.378 109.378 109.793 -0.415 25123 34 1 1 . 1 1 10 10 GLY C C 10 173.399 173.399 173.801 -0.402 25123 35 1 1 . 1 1 10 10 GLY CA C 10 44.919 44.919 45.387 -0.468 25123 36 1 1 . 1 1 11 11 LYS N N 11 122.170 122.170 122.055 0.115 25123 37 1 1 . 1 1 11 11 LYS C C 11 175.345 175.345 176.205 -0.860 25123 38 1 1 . 1 1 11 11 LYS CA C 11 56.455 56.455 56.058 0.397 25123 39 1 1 . 1 1 11 11 LYS CB C 11 32.909 32.909 32.876 0.034 25123 40 1 1 . 1 1 12 12 THR N N 12 119.755 119.755 121.336 -1.581 25123 41 1 1 . 1 1 12 12 THR C C 12 174.369 174.369 174.039 0.330 25123 42 1 1 . 1 1 12 12 THR CA C 12 62.752 62.752 63.325 -0.573 25123 43 1 1 . 1 1 12 12 THR CB C 12 69.600 69.600 68.871 0.730 25123 44 1 1 . 1 1 13 13 ILE N N 13 128.577 128.577 128.679 -0.102 25123 45 1 1 . 1 1 13 13 ILE C C 13 175.206 175.206 173.747 1.459 25123 46 1 1 . 1 1 13 13 ILE CA C 13 59.786 59.786 60.253 -0.467 25123 47 1 1 . 1 1 13 13 ILE CB C 13 40.425 40.425 40.313 0.112 25123 48 1 1 . 1 1 14 14 THR N N 14 124.443 124.443 120.538 3.905 25123 49 1 1 . 1 1 14 14 THR C C 14 174.021 174.021 173.997 0.024 25123 50 1 1 . 1 1 14 14 THR CA C 14 62.575 62.575 60.493 2.082 25123 51 1 1 . 1 1 14 14 THR CB C 14 69.456 69.456 70.715 -1.259 25123 52 1 1 . 1 1 15 15 LEU N N 15 125.201 125.201 123.309 1.892 25123 53 1 1 . 1 1 15 15 LEU C C 15 174.061 174.061 176.229 -2.168 25123 54 1 1 . 1 1 15 15 LEU CA C 15 52.527 52.527 53.372 -0.845 25123 55 1 1 . 1 1 15 15 LEU CB C 15 46.336 46.336 43.961 2.375 25123 56 1 1 . 1 1 16 16 GLU N N 16 123.386 123.386 122.120 1.266 25123 57 1 1 . 1 1 16 16 GLU C C 16 175.078 175.078 174.612 0.466 25123 58 1 1 . 1 1 16 16 GLU CA C 16 54.227 54.227 55.840 -1.613 25123 59 1 1 . 1 1 16 16 GLU CB C 16 30.420 30.420 29.904 0.516 25123 60 1 1 . 1 1 17 17 VAL N N 17 118.752 118.752 122.490 -3.738 25123 61 1 1 . 1 1 17 17 VAL C C 17 175.053 175.053 173.740 1.313 25123 62 1 1 . 1 1 17 17 VAL CA C 17 58.614 58.614 59.118 -0.504 25123 63 1 1 . 1 1 17 17 VAL CB C 17 36.538 36.538 35.462 1.076 25123 64 1 1 . 1 1 18 18 GLU N N 18 119.002 119.002 120.705 -1.703 25123 65 1 1 . 1 1 18 18 GLU C C 18 175.268 175.268 175.151 0.117 25123 66 1 1 . 1 1 18 18 GLU CA C 18 54.699 54.699 53.757 0.942 25123 67 1 1 . 1 1 18 18 GLU CB C 18 29.855 29.855 28.976 0.879 25123 68 1 1 . 1 1 19 19 PRO C C 19 177.480 177.480 176.456 1.024 25123 69 1 1 . 1 1 19 19 PRO CA C 19 65.786 65.786 64.272 1.514 25123 70 1 1 . 1 1 19 19 PRO CB C 19 32.203 32.203 31.988 0.215 25123 71 1 1 . 1 1 20 20 SER N N 20 108.760 108.760 111.744 -2.984 25123 72 1 1 . 1 1 20 20 SER C C 20 173.331 173.331 174.469 -1.138 25123 73 1 1 . 1 1 20 20 SER CA C 20 57.116 57.116 59.550 -2.434 25123 74 1 1 . 1 1 20 20 SER CB C 20 61.298 61.298 62.856 -1.558 25123 75 1 1 . 1 1 21 21 ASP N N 21 122.289 122.289 120.814 1.475 25123 76 1 1 . 1 1 21 21 ASP C C 21 176.559 176.559 174.561 1.998 25123 77 1 1 . 1 1 21 21 ASP CA C 21 56.652 56.652 55.289 1.363 25123 78 1 1 . 1 1 21 21 ASP CB C 21 38.542 38.542 40.083 -1.541 25123 79 1 1 . 1 1 22 22 THR N N 22 106.584 106.584 108.885 -2.301 25123 80 1 1 . 1 1 22 22 THR C C 22 176.291 176.291 176.701 -0.410 25123 81 1 1 . 1 1 22 22 THR CA C 22 59.648 59.648 60.347 -0.699 25123 82 1 1 . 1 1 22 22 THR CB C 22 70.782 70.782 70.776 0.006 25123 83 1 1 . 1 1 23 23 ILE N N 23 121.744 121.744 126.605 -4.861 25123 84 1 1 . 1 1 23 23 ILE C C 23 179.237 179.237 177.778 1.459 25123 85 1 1 . 1 1 23 23 ILE CA C 23 61.844 61.844 64.356 -2.512 25123 86 1 1 . 1 1 23 23 ILE CB C 23 33.283 33.283 35.785 -2.502 25123 87 1 1 . 1 1 24 24 GLU N N 24 123.433 123.433 119.867 3.566 25123 88 1 1 . 1 1 24 24 GLU C C 24 178.873 178.873 178.791 0.082 25123 89 1 1 . 1 1 24 24 GLU CA C 24 58.974 58.974 59.362 -0.388 25123 90 1 1 . 1 1 24 24 GLU CB C 24 30.615 30.615 28.631 1.984 25123 91 1 1 . 1 1 25 25 ASN N N 25 121.016 121.016 117.668 3.348 25123 92 1 1 . 1 1 25 25 ASN C C 25 180.408 180.408 177.656 2.752 25123 93 1 1 . 1 1 25 25 ASN CA C 25 55.296 55.296 55.734 -0.438 25123 94 1 1 . 1 1 25 25 ASN CB C 25 36.619 36.619 38.842 -2.223 25123 95 1 1 . 1 1 26 26 VAL N N 26 124.407 124.407 120.763 3.644 25123 96 1 1 . 1 1 26 26 VAL C C 26 177.380 177.380 177.844 -0.464 25123 97 1 1 . 1 1 26 26 VAL CA C 26 67.722 67.722 65.891 1.831 25123 98 1 1 . 1 1 26 26 VAL CB C 26 30.996 30.996 31.008 -0.012 25123 99 1 1 . 1 1 27 27 LYS N N 27 119.991 119.991 119.715 0.276 25123 100 1 1 . 1 1 27 27 LYS C C 27 180.822 180.822 179.067 1.755 25123 101 1 1 . 1 1 27 27 LYS CA C 27 58.952 58.952 59.713 -0.761 25123 102 1 1 . 1 1 27 27 LYS CB C 27 34.687 34.687 31.700 2.987 25123 103 1 1 . 1 1 28 28 ALA N N 28 122.173 122.173 121.223 0.950 25123 104 1 1 . 1 1 28 28 ALA C C 28 179.943 179.943 179.492 0.451 25123 105 1 1 . 1 1 28 28 ALA CA C 28 54.994 54.994 55.186 -0.192 25123 106 1 1 . 1 1 28 28 ALA CB C 28 18.446 18.446 18.261 0.185 25123 107 1 1 . 1 1 29 29 LYS N N 29 118.608 118.608 118.661 -0.053 25123 108 1 1 . 1 1 29 29 LYS C C 29 180.778 180.778 178.924 1.854 25123 109 1 1 . 1 1 29 29 LYS CA C 29 59.260 59.260 59.226 0.034 25123 110 1 1 . 1 1 29 29 LYS CB C 29 33.897 33.897 32.444 1.453 25123 111 1 1 . 1 1 30 30 ILE N N 30 122.662 122.662 119.513 3.149 25123 112 1 1 . 1 1 30 30 ILE C C 30 177.453 177.453 177.523 -0.070 25123 113 1 1 . 1 1 30 30 ILE CA C 30 66.346 66.346 64.343 2.003 25123 114 1 1 . 1 1 30 30 ILE CB C 30 36.850 36.850 37.827 -0.977 25123 115 1 1 . 1 1 31 31 GLN N N 31 122.791 122.791 121.198 1.593 25123 116 1 1 . 1 1 31 31 GLN C C 31 179.163 179.163 178.379 0.784 25123 117 1 1 . 1 1 31 31 GLN CA C 31 59.483 59.483 59.361 0.122 25123 118 1 1 . 1 1 31 31 GLN CB C 31 28.051 28.051 28.360 -0.308 25123 119 1 1 . 1 1 32 32 ASP N N 32 121.376 121.376 118.839 2.537 25123 120 1 1 . 1 1 32 32 ASP C C 32 177.594 177.594 178.267 -0.673 25123 121 1 1 . 1 1 32 32 ASP CA C 32 57.854 57.854 56.874 0.980 25123 122 1 1 . 1 1 32 32 ASP CB C 32 38.739 38.739 40.735 -1.996 25123 123 1 1 . 1 1 33 33 LYS N N 33 119.963 119.963 118.876 1.087 25123 124 1 1 . 1 1 33 33 LYS C C 33 178.061 178.061 177.361 0.700 25123 125 1 1 . 1 1 33 33 LYS CA C 33 59.494 59.494 58.189 1.305 25123 126 1 1 . 1 1 33 33 LYS CB C 33 34.403 34.403 33.092 1.311 25123 127 1 1 . 1 1 34 34 GLU N N 34 112.029 112.029 115.744 -3.715 25123 128 1 1 . 1 1 34 34 GLU C C 34 177.386 177.386 174.882 2.504 25123 129 1 1 . 1 1 34 34 GLU CA C 34 55.006 55.006 55.058 -0.052 25123 130 1 1 . 1 1 34 34 GLU CB C 34 33.307 33.307 34.569 -1.262 25123 131 1 1 . 1 1 35 35 GLY N N 35 109.223 109.223 109.550 -0.327 25123 132 1 1 . 1 1 35 35 GLY C C 35 173.934 173.934 173.686 0.248 25123 133 1 1 . 1 1 35 35 GLY CA C 35 45.964 45.964 45.754 0.210 25123 134 1 1 . 1 1 36 36 ILE N N 36 119.661 119.661 120.567 -0.906 25123 135 1 1 . 1 1 36 36 ILE C C 36 173.453 173.453 172.958 0.495 25123 136 1 1 . 1 1 36 36 ILE CA C 36 57.734 57.734 57.361 0.373 25123 137 1 1 . 1 1 36 36 ILE CB C 36 40.420 40.420 40.919 -0.499 25123 138 1 1 . 1 1 37 37 PRO C C 37 176.699 176.699 175.633 1.066 25123 139 1 1 . 1 1 37 37 PRO CA C 37 61.756 61.756 61.430 0.326 25123 140 1 1 . 1 1 37 37 PRO CB C 37 32.060 32.060 31.644 0.416 25123 141 1 1 . 1 1 38 38 PRO C C 38 178.414 178.414 177.934 0.480 25123 142 1 1 . 1 1 38 38 PRO CA C 38 66.435 66.435 65.566 0.869 25123 143 1 1 . 1 1 38 38 PRO CB C 38 33.006 33.006 31.785 1.220 25123 144 1 1 . 1 1 39 39 ASP N N 39 114.957 114.957 114.162 0.795 25123 145 1 1 . 1 1 39 39 ASP C C 39 177.285 177.285 176.990 0.295 25123 146 1 1 . 1 1 39 39 ASP CA C 39 55.350 55.350 56.141 -0.791 25123 147 1 1 . 1 1 39 39 ASP CB C 39 38.299 38.299 39.522 -1.222 25123 148 1 1 . 1 1 40 40 GLN N N 40 117.762 117.762 116.640 1.122 25123 149 1 1 . 1 1 40 40 GLN C C 40 175.906 175.906 175.161 0.745 25123 150 1 1 . 1 1 40 40 GLN CA C 40 55.230 55.230 55.516 -0.286 25123 151 1 1 . 1 1 40 40 GLN CB C 40 29.502 29.502 30.415 -0.913 25123 152 1 1 . 1 1 41 41 GLN N N 41 120.681 120.681 120.430 0.251 25123 153 1 1 . 1 1 41 41 GLN C C 41 174.686 174.686 173.928 0.758 25123 154 1 1 . 1 1 41 41 GLN CA C 41 55.891 55.891 55.086 0.805 25123 155 1 1 . 1 1 41 41 GLN CB C 41 30.670 30.670 30.848 -0.178 25123 156 1 1 . 1 1 42 42 ARG N N 42 125.708 125.708 122.776 2.932 25123 157 1 1 . 1 1 42 42 ARG C C 42 173.531 173.531 175.197 -1.666 25123 158 1 1 . 1 1 42 42 ARG CA C 42 55.148 55.148 54.827 0.321 25123 159 1 1 . 1 1 42 42 ARG CB C 42 30.753 30.753 32.338 -1.585 25123 160 1 1 . 1 1 43 43 LEU N N 43 126.959 126.959 122.920 4.039 25123 161 1 1 . 1 1 43 43 LEU C C 43 175.631 175.631 175.441 0.190 25123 162 1 1 . 1 1 43 43 LEU CA C 43 53.257 53.257 53.238 0.019 25123 163 1 1 . 1 1 43 43 LEU CB C 43 47.381 47.381 44.857 2.524 25123 164 1 1 . 1 1 44 44 ILE N N 44 119.272 119.272 119.365 -0.093 25123 165 1 1 . 1 1 44 44 ILE C C 44 176.098 176.098 173.558 2.540 25123 166 1 1 . 1 1 44 44 ILE CA C 44 58.211 58.211 59.835 -1.624 25123 167 1 1 . 1 1 44 44 ILE CB C 44 41.466 41.466 41.868 -0.402 25123 168 1 1 . 1 1 45 45 PHE N N 45 123.683 123.683 127.902 -4.219 25123 169 1 1 . 1 1 45 45 PHE C C 45 173.634 173.634 174.384 -0.750 25123 170 1 1 . 1 1 45 45 PHE CA C 45 56.424 56.424 55.948 0.476 25123 171 1 1 . 1 1 45 45 PHE CB C 45 44.327 44.327 42.177 2.150 25123 172 1 1 . 1 1 46 46 ALA N N 46 135.683 135.683 130.702 4.981 25123 173 1 1 . 1 1 46 46 ALA C C 46 177.303 177.303 176.848 0.455 25123 174 1 1 . 1 1 46 46 ALA CA C 46 52.154 52.154 52.620 -0.466 25123 175 1 1 . 1 1 46 46 ALA CB C 46 16.523 16.523 16.689 -0.165 25123 176 1 1 . 1 1 47 47 GLY N N 47 103.653 103.653 103.934 -0.281 25123 177 1 1 . 1 1 47 47 GLY C C 47 173.479 173.479 174.547 -1.068 25123 178 1 1 . 1 1 47 47 GLY CA C 47 45.566 45.566 44.935 0.631 25123 179 1 1 . 1 1 48 48 LYS N N 48 122.542 122.542 122.920 -0.378 25123 180 1 1 . 1 1 48 48 LYS C C 48 174.995 174.995 175.887 -0.892 25123 181 1 1 . 1 1 48 48 LYS CA C 48 55.336 55.336 56.023 -0.687 25123 182 1 1 . 1 1 48 48 LYS CB C 48 31.402 31.402 33.496 -2.094 25123 183 1 1 . 1 1 49 49 GLN N N 49 123.910 123.910 124.727 -0.817 25123 184 1 1 . 1 1 49 49 GLN C C 49 175.717 175.717 175.678 0.039 25123 185 1 1 . 1 1 49 49 GLN CA C 49 55.930 55.930 55.678 0.251 25123 186 1 1 . 1 1 49 49 GLN CB C 49 30.277 30.277 29.289 0.988 25123 187 1 1 . 1 1 50 50 LEU N N 50 123.942 123.942 126.752 -2.810 25123 188 1 1 . 1 1 50 50 LEU C C 50 176.418 176.418 176.148 0.270 25123 189 1 1 . 1 1 50 50 LEU CA C 50 54.097 54.097 55.031 -0.934 25123 190 1 1 . 1 1 50 50 LEU CB C 50 41.271 41.271 42.858 -1.587 25123 191 1 1 . 1 1 51 51 GLU N N 51 123.530 123.530 121.932 1.598 25123 192 1 1 . 1 1 51 51 GLU C C 51 177.113 177.113 176.216 0.897 25123 193 1 1 . 1 1 51 51 GLU CA C 51 55.885 55.885 55.500 0.385 25123 194 1 1 . 1 1 51 51 GLU CB C 51 29.933 29.933 30.742 -0.809 25123 195 1 1 . 1 1 52 52 ASP N N 52 118.613 118.613 117.003 1.610 25123 196 1 1 . 1 1 52 52 ASP C C 52 175.901 175.901 176.106 -0.205 25123 197 1 1 . 1 1 52 52 ASP CA C 52 57.657 57.657 54.523 3.134 25123 198 1 1 . 1 1 52 52 ASP CB C 52 39.653 39.653 40.440 -0.787 25123 199 1 1 . 1 1 53 53 GLY N N 53 100.907 100.907 103.438 -2.531 25123 200 1 1 . 1 1 53 53 GLY C C 53 174.864 174.864 173.958 0.906 25123 201 1 1 . 1 1 53 53 GLY CA C 53 45.569 45.569 44.500 1.069 25123 202 1 1 . 1 1 54 54 ARG N N 54 120.839 120.839 118.963 1.876 25123 203 1 1 . 1 1 54 54 ARG C C 54 175.028 175.028 176.082 -1.054 25123 204 1 1 . 1 1 54 54 ARG CA C 54 53.399 53.399 55.131 -1.732 25123 205 1 1 . 1 1 54 54 ARG CB C 54 32.641 32.641 31.484 1.157 25123 206 1 1 . 1 1 55 55 THR N N 55 107.625 107.625 115.320 -7.695 25123 207 1 1 . 1 1 55 55 THR C C 55 176.443 176.443 175.093 1.350 25123 208 1 1 . 1 1 55 55 THR CA C 55 59.622 59.622 63.491 -3.869 25123 209 1 1 . 1 1 55 55 THR CB C 55 73.519 73.519 69.392 4.127 25123 210 1 1 . 1 1 56 56 LEU N N 56 117.418 117.418 127.130 -9.712 25123 211 1 1 . 1 1 56 56 LEU C C 56 180.338 180.338 178.395 1.943 25123 212 1 1 . 1 1 56 56 LEU CA C 56 58.330 58.330 57.172 1.158 25123 213 1 1 . 1 1 56 56 LEU CB C 56 39.711 39.711 41.933 -2.222 25123 214 1 1 . 1 1 57 57 SER N N 57 112.187 112.187 114.188 -2.001 25123 215 1 1 . 1 1 57 57 SER C C 57 178.403 178.403 176.594 1.809 25123 216 1 1 . 1 1 57 57 SER CA C 57 60.751 60.751 61.803 -1.052 25123 217 1 1 . 1 1 57 57 SER CB C 57 62.656 62.656 62.896 -0.240 25123 218 1 1 . 1 1 58 58 ASP N N 58 125.051 125.051 120.666 4.385 25123 219 1 1 . 1 1 58 58 ASP C C 58 176.085 176.085 177.099 -1.014 25123 220 1 1 . 1 1 58 58 ASP CA C 58 57.592 57.592 56.105 1.487 25123 221 1 1 . 1 1 58 58 ASP CB C 58 38.834 38.834 40.835 -2.001 25123 222 1 1 . 1 1 59 59 TYR N N 59 113.039 113.039 117.550 -4.511 25123 223 1 1 . 1 1 59 59 TYR C C 59 175.980 175.980 174.829 1.151 25123 224 1 1 . 1 1 59 59 TYR CA C 59 57.117 57.117 57.918 -0.801 25123 225 1 1 . 1 1 59 59 TYR CB C 59 40.451 40.451 38.224 2.228 25123 226 1 1 . 1 1 60 60 ASN N N 60 117.395 117.395 116.801 0.594 25123 227 1 1 . 1 1 60 60 ASN C C 60 174.090 174.090 174.762 -0.672 25123 228 1 1 . 1 1 60 60 ASN CA C 60 53.685 53.685 54.247 -0.562 25123 229 1 1 . 1 1 60 60 ASN CB C 60 37.668 37.668 37.407 0.261 25123 230 1 1 . 1 1 61 61 ILE N N 61 118.676 118.676 118.986 -0.310 25123 231 1 1 . 1 1 61 61 ILE C C 61 174.143 174.143 175.762 -1.619 25123 232 1 1 . 1 1 61 61 ILE CA C 61 62.910 62.910 61.390 1.520 25123 233 1 1 . 1 1 61 61 ILE CB C 61 36.447 36.447 36.857 -0.410 25123 234 1 1 . 1 1 62 62 GLN N N 62 125.804 125.804 126.138 -0.334 25123 235 1 1 . 1 1 62 62 GLN C C 62 175.238 175.238 177.281 -2.043 25123 236 1 1 . 1 1 62 62 GLN CA C 62 53.591 53.591 54.872 -1.281 25123 237 1 1 . 1 1 62 62 GLN CB C 62 32.176 32.176 30.848 1.328 25123 238 1 1 . 1 1 63 63 LYS N N 63 119.391 119.391 121.705 -2.314 25123 239 1 1 . 1 1 63 63 LYS C C 63 176.583 176.583 175.657 0.926 25123 240 1 1 . 1 1 63 63 LYS CA C 63 58.439 58.439 57.641 0.798 25123 241 1 1 . 1 1 63 63 LYS CB C 63 32.841 32.841 30.514 2.327 25123 242 1 1 . 1 1 64 64 GLU N N 64 114.930 114.930 114.583 0.347 25123 243 1 1 . 1 1 64 64 GLU C C 64 174.910 174.910 174.592 0.318 25123 244 1 1 . 1 1 64 64 GLU CA C 64 58.210 58.210 56.482 1.728 25123 245 1 1 . 1 1 64 64 GLU CB C 64 26.087 26.087 26.413 -0.326 25123 246 1 1 . 1 1 65 65 SER N N 65 115.678 115.678 115.782 -0.104 25123 247 1 1 . 1 1 65 65 SER C C 65 171.997 171.997 174.521 -2.524 25123 248 1 1 . 1 1 65 65 SER CA C 65 61.259 61.259 59.316 1.943 25123 249 1 1 . 1 1 65 65 SER CB C 65 65.081 65.081 63.956 1.125 25123 250 1 1 . 1 1 66 66 THR N N 66 118.225 118.225 118.980 -0.755 25123 251 1 1 . 1 1 66 66 THR C C 66 172.934 172.934 174.367 -1.433 25123 252 1 1 . 1 1 66 66 THR CA C 66 62.542 62.542 63.176 -0.634 25123 253 1 1 . 1 1 66 66 THR CB C 66 69.996 69.996 69.264 0.732 25123 254 1 1 . 1 1 67 67 LEU N N 67 128.926 128.926 128.870 0.056 25123 255 1 1 . 1 1 67 67 LEU C C 67 175.489 175.489 175.963 -0.474 25123 256 1 1 . 1 1 67 67 LEU CA C 67 53.446 53.446 54.038 -0.592 25123 257 1 1 . 1 1 67 67 LEU CB C 67 44.469 44.469 43.386 1.083 25123 258 1 1 . 1 1 68 68 HIS N N 68 117.795 117.795 121.073 -3.278 25123 259 1 1 . 1 1 68 68 HIS C C 68 175.598 175.598 174.314 1.284 25123 260 1 1 . 1 1 68 68 HIS CA C 68 54.470 54.470 54.103 0.367 25123 261 1 1 . 1 1 68 68 HIS CB C 68 30.406 30.406 31.994 -1.588 25123 262 1 1 . 1 1 69 69 LEU N N 69 125.977 125.977 124.900 1.077 25123 263 1 1 . 1 1 69 69 LEU C C 69 176.381 176.381 175.529 0.852 25123 264 1 1 . 1 1 69 69 LEU CA C 69 55.244 55.244 54.056 1.188 25123 265 1 1 . 1 1 69 69 LEU CB C 69 41.876 41.876 43.163 -1.287 25123 266 1 1 . 1 1 70 70 VAL N N 70 112.216 112.216 123.701 -11.485 25123 267 1 1 . 1 1 70 70 VAL C C 70 176.198 176.198 175.282 0.916 25123 268 1 1 . 1 1 70 70 VAL CA C 70 58.852 58.852 61.306 -2.454 25123 269 1 1 . 1 1 70 70 VAL CB C 70 36.273 36.273 34.874 1.399 25123 270 1 1 . 1 1 71 71 LEU N N 71 119.738 119.738 127.460 -7.722 25123 271 1 2 . 1 1 2 2 GLN N N 2 124.995 124.995 119.486 5.509 25123 272 1 2 . 1 1 2 2 GLN C C 2 175.129 175.129 175.040 0.089 25123 273 1 2 . 1 1 2 2 GLN CA C 2 54.151 54.151 54.126 0.025 25123 274 1 2 . 1 1 2 2 GLN CB C 2 31.512 31.512 33.042 -1.530 25123 275 1 2 . 1 1 3 3 ILE N N 3 115.187 115.187 119.428 -4.241 25123 276 1 2 . 1 1 3 3 ILE C C 3 172.341 172.341 174.156 -1.815 25123 277 1 2 . 1 1 3 3 ILE CA C 3 58.782 58.782 60.350 -1.568 25123 278 1 2 . 1 1 3 3 ILE CB C 3 41.724 41.724 41.707 0.017 25123 279 1 2 . 1 1 4 4 PHE N N 4 119.217 119.217 125.827 -6.610 25123 280 1 2 . 1 1 4 4 PHE C C 4 175.271 175.271 173.030 2.241 25123 281 1 2 . 1 1 4 4 PHE CA C 4 54.724 54.724 55.612 -0.888 25123 282 1 2 . 1 1 4 4 PHE CB C 4 41.420 41.420 42.584 -1.164 25123 283 1 2 . 1 1 5 5 VAL N N 5 120.981 120.981 125.863 -4.882 25123 284 1 2 . 1 1 5 5 VAL C C 5 175.475 175.475 173.548 1.927 25123 285 1 2 . 1 1 5 5 VAL CA C 5 59.985 59.985 60.730 -0.745 25123 286 1 2 . 1 1 5 5 VAL CB C 5 34.746 34.746 34.783 -0.037 25123 287 1 2 . 1 1 6 6 LYS N N 6 126.148 126.148 127.824 -1.676 25123 288 1 2 . 1 1 6 6 LYS C C 6 177.162 177.162 176.189 0.973 25123 289 1 2 . 1 1 6 6 LYS CA C 6 53.411 53.411 55.156 -1.745 25123 290 1 2 . 1 1 6 6 LYS CB C 6 33.816 33.816 34.074 -0.258 25123 291 1 2 . 1 1 7 7 THR N N 7 112.835 112.835 119.109 -6.274 25123 292 1 2 . 1 1 7 7 THR C C 7 177.658 177.658 175.950 1.708 25123 293 1 2 . 1 1 7 7 THR CA C 7 60.275 60.275 60.569 -0.293 25123 294 1 2 . 1 1 7 7 THR CB C 7 70.196 70.196 70.020 0.176 25123 295 1 2 . 1 1 8 8 LEU N N 8 119.266 119.266 122.364 -3.098 25123 296 1 2 . 1 1 8 8 LEU C C 8 177.371 177.371 176.693 0.678 25123 297 1 2 . 1 1 8 8 LEU CA C 8 57.281 57.281 57.073 0.208 25123 298 1 2 . 1 1 8 8 LEU CB C 8 42.393 42.393 42.143 0.250 25123 299 1 2 . 1 1 9 9 THR N N 9 102.533 102.533 112.521 -9.988 25123 300 1 2 . 1 1 9 9 THR C C 9 175.626 175.626 175.130 0.496 25123 301 1 2 . 1 1 9 9 THR CA C 9 60.939 60.939 62.135 -1.196 25123 302 1 2 . 1 1 9 9 THR CB C 9 69.319 69.319 68.722 0.598 25123 303 1 2 . 1 1 10 10 GLY N N 10 109.378 109.378 109.650 -0.272 25123 304 1 2 . 1 1 10 10 GLY C C 10 173.399 173.399 174.200 -0.801 25123 305 1 2 . 1 1 10 10 GLY CA C 10 44.919 44.919 45.491 -0.572 25123 306 1 2 . 1 1 11 11 LYS N N 11 122.170 122.170 122.743 -0.573 25123 307 1 2 . 1 1 11 11 LYS C C 11 175.345 175.345 176.036 -0.691 25123 308 1 2 . 1 1 11 11 LYS CA C 11 56.455 56.455 55.836 0.619 25123 309 1 2 . 1 1 11 11 LYS CB C 11 32.909 32.909 33.052 -0.143 25123 310 1 2 . 1 1 12 12 THR N N 12 119.755 119.755 117.579 2.176 25123 311 1 2 . 1 1 12 12 THR C C 12 174.369 174.369 174.308 0.061 25123 312 1 2 . 1 1 12 12 THR CA C 12 62.752 62.752 61.582 1.170 25123 313 1 2 . 1 1 12 12 THR CB C 12 69.600 69.600 69.461 0.139 25123 314 1 2 . 1 1 13 13 ILE N N 13 128.577 128.577 127.964 0.613 25123 315 1 2 . 1 1 13 13 ILE C C 13 175.206 175.206 173.950 1.256 25123 316 1 2 . 1 1 13 13 ILE CA C 13 59.786 59.786 60.034 -0.248 25123 317 1 2 . 1 1 13 13 ILE CB C 13 40.425 40.425 41.344 -0.919 25123 318 1 2 . 1 1 14 14 THR N N 14 124.443 124.443 121.982 2.461 25123 319 1 2 . 1 1 14 14 THR C C 14 174.021 174.021 173.966 0.055 25123 320 1 2 . 1 1 14 14 THR CA C 14 62.575 62.575 60.292 2.283 25123 321 1 2 . 1 1 14 14 THR CB C 14 69.456 69.456 70.319 -0.863 25123 322 1 2 . 1 1 15 15 LEU N N 15 125.201 125.201 124.428 0.773 25123 323 1 2 . 1 1 15 15 LEU C C 15 174.061 174.061 175.757 -1.696 25123 324 1 2 . 1 1 15 15 LEU CA C 15 52.527 52.527 53.623 -1.096 25123 325 1 2 . 1 1 15 15 LEU CB C 15 46.336 46.336 44.417 1.919 25123 326 1 2 . 1 1 16 16 GLU N N 16 123.386 123.386 122.697 0.689 25123 327 1 2 . 1 1 16 16 GLU C C 16 175.078 175.078 174.806 0.272 25123 328 1 2 . 1 1 16 16 GLU CA C 16 54.227 54.227 55.699 -1.472 25123 329 1 2 . 1 1 16 16 GLU CB C 16 30.420 30.420 29.654 0.766 25123 330 1 2 . 1 1 17 17 VAL N N 17 118.752 118.752 122.696 -3.944 25123 331 1 2 . 1 1 17 17 VAL C C 17 175.053 175.053 173.702 1.351 25123 332 1 2 . 1 1 17 17 VAL CA C 17 58.614 58.614 60.011 -1.397 25123 333 1 2 . 1 1 17 17 VAL CB C 17 36.538 36.538 35.041 1.497 25123 334 1 2 . 1 1 18 18 GLU N N 18 119.002 119.002 126.699 -7.697 25123 335 1 2 . 1 1 18 18 GLU C C 18 175.268 175.268 175.377 -0.109 25123 336 1 2 . 1 1 18 18 GLU CA C 18 54.699 54.699 54.626 0.073 25123 337 1 2 . 1 1 18 18 GLU CB C 18 29.855 29.855 28.304 1.551 25123 338 1 2 . 1 1 19 19 PRO C C 19 177.480 177.480 176.552 0.928 25123 339 1 2 . 1 1 19 19 PRO CA C 19 65.786 65.786 64.374 1.412 25123 340 1 2 . 1 1 19 19 PRO CB C 19 32.203 32.203 31.625 0.578 25123 341 1 2 . 1 1 20 20 SER N N 20 108.760 108.760 111.633 -2.873 25123 342 1 2 . 1 1 20 20 SER C C 20 173.331 173.331 174.108 -0.777 25123 343 1 2 . 1 1 20 20 SER CA C 20 57.116 57.116 59.255 -2.139 25123 344 1 2 . 1 1 20 20 SER CB C 20 61.298 61.298 63.177 -1.879 25123 345 1 2 . 1 1 21 21 ASP N N 21 122.289 122.289 119.665 2.624 25123 346 1 2 . 1 1 21 21 ASP C C 21 176.559 176.559 175.756 0.803 25123 347 1 2 . 1 1 21 21 ASP CA C 21 56.652 56.652 54.966 1.686 25123 348 1 2 . 1 1 21 21 ASP CB C 21 38.542 38.542 38.016 0.526 25123 349 1 2 . 1 1 22 22 THR N N 22 106.584 106.584 108.913 -2.329 25123 350 1 2 . 1 1 22 22 THR C C 22 176.291 176.291 176.410 -0.119 25123 351 1 2 . 1 1 22 22 THR CA C 22 59.648 59.648 60.125 -0.477 25123 352 1 2 . 1 1 22 22 THR CB C 22 70.782 70.782 70.715 0.067 25123 353 1 2 . 1 1 23 23 ILE N N 23 121.744 121.744 124.957 -3.213 25123 354 1 2 . 1 1 23 23 ILE C C 23 179.237 179.237 177.665 1.572 25123 355 1 2 . 1 1 23 23 ILE CA C 23 61.844 61.844 65.789 -3.945 25123 356 1 2 . 1 1 23 23 ILE CB C 23 33.283 33.283 36.864 -3.581 25123 357 1 2 . 1 1 24 24 GLU N N 24 123.433 123.433 119.496 3.937 25123 358 1 2 . 1 1 24 24 GLU C C 24 178.873 178.873 178.177 0.696 25123 359 1 2 . 1 1 24 24 GLU CA C 24 58.974 58.974 59.847 -0.873 25123 360 1 2 . 1 1 24 24 GLU CB C 24 30.615 30.615 29.147 1.468 25123 361 1 2 . 1 1 25 25 ASN N N 25 121.016 121.016 117.481 3.535 25123 362 1 2 . 1 1 25 25 ASN C C 25 180.408 180.408 177.729 2.679 25123 363 1 2 . 1 1 25 25 ASN CA C 25 55.296 55.296 55.888 -0.592 25123 364 1 2 . 1 1 25 25 ASN CB C 25 36.619 36.619 38.923 -2.304 25123 365 1 2 . 1 1 26 26 VAL N N 26 124.407 124.407 120.689 3.718 25123 366 1 2 . 1 1 26 26 VAL C C 26 177.380 177.380 177.611 -0.231 25123 367 1 2 . 1 1 26 26 VAL CA C 26 67.722 67.722 66.302 1.420 25123 368 1 2 . 1 1 26 26 VAL CB C 26 30.996 30.996 31.622 -0.626 25123 369 1 2 . 1 1 27 27 LYS N N 27 119.991 119.991 119.639 0.352 25123 370 1 2 . 1 1 27 27 LYS C C 27 180.822 180.822 178.582 2.240 25123 371 1 2 . 1 1 27 27 LYS CA C 27 58.952 58.952 59.800 -0.848 25123 372 1 2 . 1 1 27 27 LYS CB C 27 34.687 34.687 31.840 2.847 25123 373 1 2 . 1 1 28 28 ALA N N 28 122.173 122.173 121.343 0.830 25123 374 1 2 . 1 1 28 28 ALA C C 28 179.943 179.943 179.474 0.469 25123 375 1 2 . 1 1 28 28 ALA CA C 28 54.994 54.994 55.271 -0.277 25123 376 1 2 . 1 1 28 28 ALA CB C 28 18.446 18.446 18.241 0.205 25123 377 1 2 . 1 1 29 29 LYS N N 29 118.608 118.608 118.918 -0.310 25123 378 1 2 . 1 1 29 29 LYS C C 29 180.778 180.778 179.081 1.697 25123 379 1 2 . 1 1 29 29 LYS CA C 29 59.260 59.260 59.418 -0.158 25123 380 1 2 . 1 1 29 29 LYS CB C 29 33.897 33.897 32.317 1.580 25123 381 1 2 . 1 1 30 30 ILE N N 30 122.662 122.662 119.964 2.698 25123 382 1 2 . 1 1 30 30 ILE C C 30 177.453 177.453 178.095 -0.642 25123 383 1 2 . 1 1 30 30 ILE CA C 30 66.346 66.346 63.136 3.210 25123 384 1 2 . 1 1 30 30 ILE CB C 30 36.850 36.850 36.833 0.017 25123 385 1 2 . 1 1 31 31 GLN N N 31 122.791 122.791 120.355 2.436 25123 386 1 2 . 1 1 31 31 GLN C C 31 179.163 179.163 178.183 0.980 25123 387 1 2 . 1 1 31 31 GLN CA C 31 59.483 59.483 58.658 0.825 25123 388 1 2 . 1 1 31 31 GLN CB C 31 28.051 28.051 28.504 -0.453 25123 389 1 2 . 1 1 32 32 ASP N N 32 121.376 121.376 119.536 1.840 25123 390 1 2 . 1 1 32 32 ASP C C 32 177.594 177.594 178.328 -0.734 25123 391 1 2 . 1 1 32 32 ASP CA C 32 57.854 57.854 56.591 1.263 25123 392 1 2 . 1 1 32 32 ASP CB C 32 38.739 38.739 40.988 -2.249 25123 393 1 2 . 1 1 33 33 LYS N N 33 119.963 119.963 118.777 1.186 25123 394 1 2 . 1 1 33 33 LYS C C 33 178.061 178.061 177.454 0.607 25123 395 1 2 . 1 1 33 33 LYS CA C 33 59.494 59.494 58.096 1.397 25123 396 1 2 . 1 1 33 33 LYS CB C 33 34.403 34.403 32.909 1.494 25123 397 1 2 . 1 1 34 34 GLU N N 34 112.029 112.029 115.900 -3.871 25123 398 1 2 . 1 1 34 34 GLU C C 34 177.386 177.386 174.993 2.393 25123 399 1 2 . 1 1 34 34 GLU CA C 34 55.006 55.006 54.893 0.113 25123 400 1 2 . 1 1 34 34 GLU CB C 34 33.307 33.307 34.122 -0.815 25123 401 1 2 . 1 1 35 35 GLY N N 35 109.223 109.223 108.758 0.465 25123 402 1 2 . 1 1 35 35 GLY C C 35 173.934 173.934 173.591 0.343 25123 403 1 2 . 1 1 35 35 GLY CA C 35 45.964 45.964 45.785 0.179 25123 404 1 2 . 1 1 36 36 ILE N N 36 119.661 119.661 126.032 -6.371 25123 405 1 2 . 1 1 36 36 ILE C C 36 173.453 173.453 173.108 0.345 25123 406 1 2 . 1 1 36 36 ILE CA C 36 57.734 57.734 57.203 0.531 25123 407 1 2 . 1 1 36 36 ILE CB C 36 40.420 40.420 41.752 -1.332 25123 408 1 2 . 1 1 37 37 PRO C C 37 176.699 176.699 175.994 0.705 25123 409 1 2 . 1 1 37 37 PRO CA C 37 61.756 61.756 61.221 0.535 25123 410 1 2 . 1 1 37 37 PRO CB C 37 32.060 32.060 31.472 0.588 25123 411 1 2 . 1 1 38 38 PRO C C 38 178.414 178.414 178.158 0.256 25123 412 1 2 . 1 1 38 38 PRO CA C 38 66.435 66.435 65.375 1.060 25123 413 1 2 . 1 1 38 38 PRO CB C 38 33.006 33.006 31.611 1.395 25123 414 1 2 . 1 1 39 39 ASP N N 39 114.957 114.957 117.268 -2.311 25123 415 1 2 . 1 1 39 39 ASP C C 39 177.285 177.285 177.163 0.122 25123 416 1 2 . 1 1 39 39 ASP CA C 39 55.350 55.350 56.336 -0.986 25123 417 1 2 . 1 1 39 39 ASP CB C 39 38.299 38.299 39.662 -1.363 25123 418 1 2 . 1 1 40 40 GLN N N 40 117.762 117.762 116.196 1.566 25123 419 1 2 . 1 1 40 40 GLN C C 40 175.906 175.906 174.837 1.069 25123 420 1 2 . 1 1 40 40 GLN CA C 40 55.230 55.230 55.555 -0.325 25123 421 1 2 . 1 1 40 40 GLN CB C 40 29.502 29.502 29.694 -0.192 25123 422 1 2 . 1 1 41 41 GLN N N 41 120.681 120.681 119.935 0.746 25123 423 1 2 . 1 1 41 41 GLN C C 41 174.686 174.686 174.926 -0.240 25123 424 1 2 . 1 1 41 41 GLN CA C 41 55.891 55.891 54.663 1.228 25123 425 1 2 . 1 1 41 41 GLN CB C 41 30.670 30.670 29.608 1.062 25123 426 1 2 . 1 1 42 42 ARG N N 42 125.708 125.708 122.181 3.527 25123 427 1 2 . 1 1 42 42 ARG C C 42 173.531 173.531 174.628 -1.097 25123 428 1 2 . 1 1 42 42 ARG CA C 42 55.148 55.148 54.698 0.450 25123 429 1 2 . 1 1 42 42 ARG CB C 42 30.753 30.753 32.233 -1.480 25123 430 1 2 . 1 1 43 43 LEU N N 43 126.959 126.959 120.986 5.973 25123 431 1 2 . 1 1 43 43 LEU C C 43 175.631 175.631 175.886 -0.255 25123 432 1 2 . 1 1 43 43 LEU CA C 43 53.257 53.257 53.307 -0.050 25123 433 1 2 . 1 1 43 43 LEU CB C 43 47.381 47.381 45.231 2.150 25123 434 1 2 . 1 1 44 44 ILE N N 44 119.272 119.272 118.057 1.215 25123 435 1 2 . 1 1 44 44 ILE C C 44 176.098 176.098 174.408 1.690 25123 436 1 2 . 1 1 44 44 ILE CA C 44 58.211 58.211 60.434 -2.224 25123 437 1 2 . 1 1 44 44 ILE CB C 44 41.466 41.466 41.987 -0.521 25123 438 1 2 . 1 1 45 45 PHE N N 45 123.683 123.683 126.610 -2.927 25123 439 1 2 . 1 1 45 45 PHE C C 45 173.634 173.634 174.476 -0.842 25123 440 1 2 . 1 1 45 45 PHE CA C 45 56.424 56.424 56.850 -0.426 25123 441 1 2 . 1 1 45 45 PHE CB C 45 44.327 44.327 42.737 1.590 25123 442 1 2 . 1 1 46 46 ALA N N 46 135.683 135.683 129.948 5.735 25123 443 1 2 . 1 1 46 46 ALA C C 46 177.303 177.303 177.348 -0.045 25123 444 1 2 . 1 1 46 46 ALA CA C 46 52.154 52.154 52.578 -0.423 25123 445 1 2 . 1 1 46 46 ALA CB C 46 16.523 16.523 16.874 -0.351 25123 446 1 2 . 1 1 47 47 GLY N N 47 103.653 103.653 103.403 0.250 25123 447 1 2 . 1 1 47 47 GLY C C 47 173.479 173.479 174.723 -1.244 25123 448 1 2 . 1 1 47 47 GLY CA C 47 45.566 45.566 45.111 0.455 25123 449 1 2 . 1 1 48 48 LYS N N 48 122.542 122.542 124.434 -1.892 25123 450 1 2 . 1 1 48 48 LYS C C 48 174.995 174.995 176.060 -1.065 25123 451 1 2 . 1 1 48 48 LYS CA C 48 55.336 55.336 55.487 -0.151 25123 452 1 2 . 1 1 48 48 LYS CB C 48 31.402 31.402 33.138 -1.736 25123 453 1 2 . 1 1 49 49 GLN N N 49 123.910 123.910 125.116 -1.206 25123 454 1 2 . 1 1 49 49 GLN C C 49 175.717 175.717 175.297 0.420 25123 455 1 2 . 1 1 49 49 GLN CA C 49 55.930 55.930 55.581 0.349 25123 456 1 2 . 1 1 49 49 GLN CB C 49 30.277 30.277 29.172 1.105 25123 457 1 2 . 1 1 50 50 LEU N N 50 123.942 123.942 127.036 -3.094 25123 458 1 2 . 1 1 50 50 LEU C C 50 176.418 176.418 176.733 -0.315 25123 459 1 2 . 1 1 50 50 LEU CA C 50 54.097 54.097 54.803 -0.706 25123 460 1 2 . 1 1 50 50 LEU CB C 50 41.271 41.271 41.536 -0.265 25123 461 1 2 . 1 1 51 51 GLU N N 51 123.530 123.530 126.154 -2.624 25123 462 1 2 . 1 1 51 51 GLU C C 51 177.113 177.113 176.642 0.471 25123 463 1 2 . 1 1 51 51 GLU CA C 51 55.885 55.885 56.357 -0.472 25123 464 1 2 . 1 1 51 51 GLU CB C 51 29.933 29.933 30.319 -0.386 25123 465 1 2 . 1 1 52 52 ASP N N 52 118.613 118.613 118.836 -0.223 25123 466 1 2 . 1 1 52 52 ASP C C 52 175.901 175.901 175.897 0.004 25123 467 1 2 . 1 1 52 52 ASP CA C 52 57.657 57.657 55.729 1.928 25123 468 1 2 . 1 1 52 52 ASP CB C 52 39.653 39.653 40.412 -0.759 25123 469 1 2 . 1 1 53 53 GLY N N 53 100.907 100.907 104.426 -3.519 25123 470 1 2 . 1 1 53 53 GLY C C 53 174.864 174.864 173.674 1.190 25123 471 1 2 . 1 1 53 53 GLY CA C 53 45.569 45.569 44.428 1.141 25123 472 1 2 . 1 1 54 54 ARG N N 54 120.839 120.839 119.592 1.247 25123 473 1 2 . 1 1 54 54 ARG C C 54 175.028 175.028 176.122 -1.094 25123 474 1 2 . 1 1 54 54 ARG CA C 54 53.399 53.399 55.883 -2.483 25123 475 1 2 . 1 1 54 54 ARG CB C 54 32.641 32.641 31.514 1.127 25123 476 1 2 . 1 1 55 55 THR N N 55 107.625 107.625 116.671 -9.046 25123 477 1 2 . 1 1 55 55 THR C C 55 176.443 176.443 175.624 0.819 25123 478 1 2 . 1 1 55 55 THR CA C 55 59.622 59.622 63.977 -4.355 25123 479 1 2 . 1 1 55 55 THR CB C 55 73.519 73.519 69.742 3.777 25123 480 1 2 . 1 1 56 56 LEU N N 56 117.418 117.418 127.868 -10.450 25123 481 1 2 . 1 1 56 56 LEU C C 56 180.338 180.338 178.817 1.521 25123 482 1 2 . 1 1 56 56 LEU CA C 56 58.330 58.330 56.961 1.369 25123 483 1 2 . 1 1 56 56 LEU CB C 56 39.711 39.711 41.209 -1.498 25123 484 1 2 . 1 1 57 57 SER N N 57 112.187 112.187 114.390 -2.203 25123 485 1 2 . 1 1 57 57 SER C C 57 178.403 178.403 176.164 2.239 25123 486 1 2 . 1 1 57 57 SER CA C 57 60.751 60.751 61.405 -0.654 25123 487 1 2 . 1 1 57 57 SER CB C 57 62.656 62.656 63.072 -0.416 25123 488 1 2 . 1 1 58 58 ASP N N 58 125.051 125.051 118.773 6.278 25123 489 1 2 . 1 1 58 58 ASP C C 58 176.085 176.085 177.017 -0.932 25123 490 1 2 . 1 1 58 58 ASP CA C 58 57.592 57.592 55.841 1.751 25123 491 1 2 . 1 1 58 58 ASP CB C 58 38.834 38.834 40.751 -1.917 25123 492 1 2 . 1 1 59 59 TYR N N 59 113.039 113.039 117.091 -4.052 25123 493 1 2 . 1 1 59 59 TYR C C 59 175.980 175.980 175.011 0.969 25123 494 1 2 . 1 1 59 59 TYR CA C 59 57.117 57.117 59.115 -1.998 25123 495 1 2 . 1 1 59 59 TYR CB C 59 40.451 40.451 38.947 1.504 25123 496 1 2 . 1 1 60 60 ASN N N 60 117.395 117.395 115.852 1.543 25123 497 1 2 . 1 1 60 60 ASN C C 60 174.090 174.090 174.745 -0.655 25123 498 1 2 . 1 1 60 60 ASN CA C 60 53.685 53.685 53.499 0.186 25123 499 1 2 . 1 1 60 60 ASN CB C 60 37.668 37.668 37.629 0.039 25123 500 1 2 . 1 1 61 61 ILE N N 61 118.676 118.676 118.623 0.053 25123 501 1 2 . 1 1 61 61 ILE C C 61 174.143 174.143 176.215 -2.072 25123 502 1 2 . 1 1 61 61 ILE CA C 61 62.910 62.910 61.752 1.158 25123 503 1 2 . 1 1 61 61 ILE CB C 61 36.447 36.447 37.224 -0.777 25123 504 1 2 . 1 1 62 62 GLN N N 62 125.804 125.804 126.442 -0.638 25123 505 1 2 . 1 1 62 62 GLN C C 62 175.238 175.238 176.348 -1.110 25123 506 1 2 . 1 1 62 62 GLN CA C 62 53.591 53.591 53.963 -0.372 25123 507 1 2 . 1 1 62 62 GLN CB C 62 32.176 32.176 29.835 2.341 25123 508 1 2 . 1 1 63 63 LYS N N 63 119.391 119.391 120.895 -1.504 25123 509 1 2 . 1 1 63 63 LYS C C 63 176.583 176.583 175.835 0.748 25123 510 1 2 . 1 1 63 63 LYS CA C 63 58.439 58.439 57.926 0.513 25123 511 1 2 . 1 1 63 63 LYS CB C 63 32.841 32.841 30.614 2.227 25123 512 1 2 . 1 1 64 64 GLU N N 64 114.930 114.930 113.490 1.440 25123 513 1 2 . 1 1 64 64 GLU C C 64 174.910 174.910 175.395 -0.485 25123 514 1 2 . 1 1 64 64 GLU CA C 64 58.210 58.210 56.595 1.615 25123 515 1 2 . 1 1 64 64 GLU CB C 64 26.087 26.087 27.705 -1.618 25123 516 1 2 . 1 1 65 65 SER N N 65 115.678 115.678 114.543 1.135 25123 517 1 2 . 1 1 65 65 SER C C 65 171.997 171.997 174.475 -2.478 25123 518 1 2 . 1 1 65 65 SER CA C 65 61.259 61.259 59.065 2.194 25123 519 1 2 . 1 1 65 65 SER CB C 65 65.081 65.081 64.076 1.005 25123 520 1 2 . 1 1 66 66 THR N N 66 118.225 118.225 116.443 1.782 25123 521 1 2 . 1 1 66 66 THR C C 66 172.934 172.934 174.274 -1.340 25123 522 1 2 . 1 1 66 66 THR CA C 66 62.542 62.542 60.697 1.845 25123 523 1 2 . 1 1 66 66 THR CB C 66 69.996 69.996 69.166 0.830 25123 524 1 2 . 1 1 67 67 LEU N N 67 128.926 128.926 129.554 -0.628 25123 525 1 2 . 1 1 67 67 LEU C C 67 175.489 175.489 176.269 -0.780 25123 526 1 2 . 1 1 67 67 LEU CA C 67 53.446 53.446 53.193 0.253 25123 527 1 2 . 1 1 67 67 LEU CB C 67 44.469 44.469 43.184 1.285 25123 528 1 2 . 1 1 68 68 HIS N N 68 117.795 117.795 120.753 -2.958 25123 529 1 2 . 1 1 68 68 HIS C C 68 175.598 175.598 174.398 1.200 25123 530 1 2 . 1 1 68 68 HIS CA C 68 54.470 54.470 56.117 -1.647 25123 531 1 2 . 1 1 68 68 HIS CB C 68 30.406 30.406 30.925 -0.519 25123 532 1 2 . 1 1 69 69 LEU N N 69 125.977 125.977 123.165 2.812 25123 533 1 2 . 1 1 69 69 LEU C C 69 176.381 176.381 175.561 0.820 25123 534 1 2 . 1 1 69 69 LEU CA C 69 55.244 55.244 53.552 1.692 25123 535 1 2 . 1 1 69 69 LEU CB C 69 41.876 41.876 44.624 -2.748 25123 536 1 2 . 1 1 70 70 VAL N N 70 112.216 112.216 119.761 -7.545 25123 537 1 2 . 1 1 70 70 VAL C C 70 176.198 176.198 174.497 1.701 25123 538 1 2 . 1 1 70 70 VAL CA C 70 58.852 58.852 61.403 -2.551 25123 539 1 2 . 1 1 70 70 VAL CB C 70 36.273 36.273 34.567 1.706 25123 540 1 2 . 1 1 71 71 LEU N N 71 119.738 119.738 120.564 -0.826 25123 541 1 3 . 1 1 2 2 GLN N N 2 124.995 124.995 117.823 7.172 25123 542 1 3 . 1 1 2 2 GLN C C 2 175.129 175.129 174.608 0.521 25123 543 1 3 . 1 1 2 2 GLN CA C 2 54.151 54.151 54.880 -0.729 25123 544 1 3 . 1 1 2 2 GLN CB C 2 31.512 31.512 33.002 -1.490 25123 545 1 3 . 1 1 3 3 ILE N N 3 115.187 115.187 118.992 -3.805 25123 546 1 3 . 1 1 3 3 ILE C C 3 172.341 172.341 174.089 -1.748 25123 547 1 3 . 1 1 3 3 ILE CA C 3 58.782 58.782 60.244 -1.462 25123 548 1 3 . 1 1 3 3 ILE CB C 3 41.724 41.724 42.246 -0.522 25123 549 1 3 . 1 1 4 4 PHE N N 4 119.217 119.217 125.354 -6.137 25123 550 1 3 . 1 1 4 4 PHE C C 4 175.271 175.271 173.349 1.922 25123 551 1 3 . 1 1 4 4 PHE CA C 4 54.724 54.724 54.958 -0.234 25123 552 1 3 . 1 1 4 4 PHE CB C 4 41.420 41.420 42.644 -1.224 25123 553 1 3 . 1 1 5 5 VAL N N 5 120.981 120.981 125.593 -4.612 25123 554 1 3 . 1 1 5 5 VAL C C 5 175.475 175.475 173.555 1.920 25123 555 1 3 . 1 1 5 5 VAL CA C 5 59.985 59.985 60.798 -0.813 25123 556 1 3 . 1 1 5 5 VAL CB C 5 34.746 34.746 35.609 -0.863 25123 557 1 3 . 1 1 6 6 LYS N N 6 126.148 126.148 125.487 0.661 25123 558 1 3 . 1 1 6 6 LYS C C 6 177.162 177.162 176.329 0.833 25123 559 1 3 . 1 1 6 6 LYS CA C 6 53.411 53.411 54.921 -1.510 25123 560 1 3 . 1 1 6 6 LYS CB C 6 33.816 33.816 33.003 0.813 25123 561 1 3 . 1 1 7 7 THR N N 7 112.835 112.835 117.574 -4.739 25123 562 1 3 . 1 1 7 7 THR C C 7 177.658 177.658 176.331 1.327 25123 563 1 3 . 1 1 7 7 THR CA C 7 60.275 60.275 60.697 -0.421 25123 564 1 3 . 1 1 7 7 THR CB C 7 70.196 70.196 70.260 -0.064 25123 565 1 3 . 1 1 8 8 LEU N N 8 119.266 119.266 121.958 -2.692 25123 566 1 3 . 1 1 8 8 LEU C C 8 177.371 177.371 177.894 -0.523 25123 567 1 3 . 1 1 8 8 LEU CA C 8 57.281 57.281 57.233 0.048 25123 568 1 3 . 1 1 8 8 LEU CB C 8 42.393 42.393 41.644 0.749 25123 569 1 3 . 1 1 9 9 THR N N 9 102.533 102.533 111.986 -9.453 25123 570 1 3 . 1 1 9 9 THR C C 9 175.626 175.626 175.502 0.124 25123 571 1 3 . 1 1 9 9 THR CA C 9 60.939 60.939 62.738 -1.799 25123 572 1 3 . 1 1 9 9 THR CB C 9 69.319 69.319 68.915 0.404 25123 573 1 3 . 1 1 10 10 GLY N N 10 109.378 109.378 110.413 -1.035 25123 574 1 3 . 1 1 10 10 GLY C C 10 173.399 173.399 174.161 -0.762 25123 575 1 3 . 1 1 10 10 GLY CA C 10 44.919 44.919 45.164 -0.245 25123 576 1 3 . 1 1 11 11 LYS N N 11 122.170 122.170 121.517 0.653 25123 577 1 3 . 1 1 11 11 LYS C C 11 175.345 175.345 176.136 -0.791 25123 578 1 3 . 1 1 11 11 LYS CA C 11 56.455 56.455 55.846 0.610 25123 579 1 3 . 1 1 11 11 LYS CB C 11 32.909 32.909 33.096 -0.187 25123 580 1 3 . 1 1 12 12 THR N N 12 119.755 119.755 118.770 0.985 25123 581 1 3 . 1 1 12 12 THR C C 12 174.369 174.369 174.321 0.048 25123 582 1 3 . 1 1 12 12 THR CA C 12 62.752 62.752 62.727 0.025 25123 583 1 3 . 1 1 12 12 THR CB C 12 69.600 69.600 69.266 0.334 25123 584 1 3 . 1 1 13 13 ILE N N 13 128.577 128.577 129.526 -0.949 25123 585 1 3 . 1 1 13 13 ILE C C 13 175.206 175.206 173.889 1.317 25123 586 1 3 . 1 1 13 13 ILE CA C 13 59.786 59.786 60.069 -0.283 25123 587 1 3 . 1 1 13 13 ILE CB C 13 40.425 40.425 39.972 0.453 25123 588 1 3 . 1 1 14 14 THR N N 14 124.443 124.443 124.366 0.077 25123 589 1 3 . 1 1 14 14 THR C C 14 174.021 174.021 173.756 0.265 25123 590 1 3 . 1 1 14 14 THR CA C 14 62.575 62.575 60.805 1.770 25123 591 1 3 . 1 1 14 14 THR CB C 14 69.456 69.456 70.469 -1.013 25123 592 1 3 . 1 1 15 15 LEU N N 15 125.201 125.201 124.376 0.825 25123 593 1 3 . 1 1 15 15 LEU C C 15 174.061 174.061 175.799 -1.738 25123 594 1 3 . 1 1 15 15 LEU CA C 15 52.527 52.527 53.355 -0.828 25123 595 1 3 . 1 1 15 15 LEU CB C 15 46.336 46.336 44.091 2.245 25123 596 1 3 . 1 1 16 16 GLU N N 16 123.386 123.386 123.083 0.303 25123 597 1 3 . 1 1 16 16 GLU C C 16 175.078 175.078 174.897 0.181 25123 598 1 3 . 1 1 16 16 GLU CA C 16 54.227 54.227 56.319 -2.092 25123 599 1 3 . 1 1 16 16 GLU CB C 16 30.420 30.420 30.063 0.357 25123 600 1 3 . 1 1 17 17 VAL N N 17 118.752 118.752 123.780 -5.028 25123 601 1 3 . 1 1 17 17 VAL C C 17 175.053 175.053 174.053 1.000 25123 602 1 3 . 1 1 17 17 VAL CA C 17 58.614 58.614 59.503 -0.889 25123 603 1 3 . 1 1 17 17 VAL CB C 17 36.538 36.538 35.803 0.735 25123 604 1 3 . 1 1 18 18 GLU N N 18 119.002 119.002 121.466 -2.464 25123 605 1 3 . 1 1 18 18 GLU C C 18 175.268 175.268 175.388 -0.120 25123 606 1 3 . 1 1 18 18 GLU CA C 18 54.699 54.699 53.707 0.992 25123 607 1 3 . 1 1 18 18 GLU CB C 18 29.855 29.855 29.318 0.537 25123 608 1 3 . 1 1 19 19 PRO C C 19 177.480 177.480 176.875 0.605 25123 609 1 3 . 1 1 19 19 PRO CA C 19 65.786 65.786 64.171 1.615 25123 610 1 3 . 1 1 19 19 PRO CB C 19 32.203 32.203 32.258 -0.055 25123 611 1 3 . 1 1 20 20 SER N N 20 108.760 108.760 112.064 -3.304 25123 612 1 3 . 1 1 20 20 SER C C 20 173.331 173.331 174.334 -1.003 25123 613 1 3 . 1 1 20 20 SER CA C 20 57.116 57.116 59.322 -2.206 25123 614 1 3 . 1 1 20 20 SER CB C 20 61.298 61.298 63.574 -2.276 25123 615 1 3 . 1 1 21 21 ASP N N 21 122.289 122.289 121.743 0.546 25123 616 1 3 . 1 1 21 21 ASP C C 21 176.559 176.559 175.472 1.087 25123 617 1 3 . 1 1 21 21 ASP CA C 21 56.652 56.652 55.580 1.072 25123 618 1 3 . 1 1 21 21 ASP CB C 21 38.542 38.542 39.353 -0.811 25123 619 1 3 . 1 1 22 22 THR N N 22 106.584 106.584 110.015 -3.431 25123 620 1 3 . 1 1 22 22 THR C C 22 176.291 176.291 176.234 0.057 25123 621 1 3 . 1 1 22 22 THR CA C 22 59.648 59.648 60.767 -1.119 25123 622 1 3 . 1 1 22 22 THR CB C 22 70.782 70.782 70.122 0.660 25123 623 1 3 . 1 1 23 23 ILE N N 23 121.744 121.744 125.582 -3.838 25123 624 1 3 . 1 1 23 23 ILE C C 23 179.237 179.237 177.596 1.641 25123 625 1 3 . 1 1 23 23 ILE CA C 23 61.844 61.844 66.176 -4.332 25123 626 1 3 . 1 1 23 23 ILE CB C 23 33.283 33.283 36.926 -3.643 25123 627 1 3 . 1 1 24 24 GLU N N 24 123.433 123.433 119.303 4.130 25123 628 1 3 . 1 1 24 24 GLU C C 24 178.873 178.873 178.290 0.583 25123 629 1 3 . 1 1 24 24 GLU CA C 24 58.974 58.974 59.620 -0.646 25123 630 1 3 . 1 1 24 24 GLU CB C 24 30.615 30.615 28.296 2.319 25123 631 1 3 . 1 1 25 25 ASN N N 25 121.016 121.016 116.769 4.247 25123 632 1 3 . 1 1 25 25 ASN C C 25 180.408 180.408 176.850 3.558 25123 633 1 3 . 1 1 25 25 ASN CA C 25 55.296 55.296 55.467 -0.171 25123 634 1 3 . 1 1 25 25 ASN CB C 25 36.619 36.619 38.689 -2.070 25123 635 1 3 . 1 1 26 26 VAL N N 26 124.407 124.407 120.028 4.379 25123 636 1 3 . 1 1 26 26 VAL C C 26 177.380 177.380 177.744 -0.364 25123 637 1 3 . 1 1 26 26 VAL CA C 26 67.722 67.722 66.668 1.054 25123 638 1 3 . 1 1 26 26 VAL CB C 26 30.996 30.996 31.644 -0.648 25123 639 1 3 . 1 1 27 27 LYS N N 27 119.991 119.991 120.154 -0.163 25123 640 1 3 . 1 1 27 27 LYS C C 27 180.822 180.822 178.179 2.643 25123 641 1 3 . 1 1 27 27 LYS CA C 27 58.952 58.952 59.965 -1.013 25123 642 1 3 . 1 1 27 27 LYS CB C 27 34.687 34.687 32.048 2.639 25123 643 1 3 . 1 1 28 28 ALA N N 28 122.173 122.173 120.225 1.948 25123 644 1 3 . 1 1 28 28 ALA C C 28 179.943 179.943 179.150 0.793 25123 645 1 3 . 1 1 28 28 ALA CA C 28 54.994 54.994 55.205 -0.211 25123 646 1 3 . 1 1 28 28 ALA CB C 28 18.446 18.446 18.460 -0.015 25123 647 1 3 . 1 1 29 29 LYS N N 29 118.608 118.608 119.317 -0.709 25123 648 1 3 . 1 1 29 29 LYS C C 29 180.778 180.778 178.879 1.899 25123 649 1 3 . 1 1 29 29 LYS CA C 29 59.260 59.260 59.239 0.021 25123 650 1 3 . 1 1 29 29 LYS CB C 29 33.897 33.897 32.483 1.414 25123 651 1 3 . 1 1 30 30 ILE N N 30 122.662 122.662 119.743 2.919 25123 652 1 3 . 1 1 30 30 ILE C C 30 177.453 177.453 178.008 -0.555 25123 653 1 3 . 1 1 30 30 ILE CA C 30 66.346 66.346 63.556 2.791 25123 654 1 3 . 1 1 30 30 ILE CB C 30 36.850 36.850 36.888 -0.038 25123 655 1 3 . 1 1 31 31 GLN N N 31 122.791 122.791 119.670 3.121 25123 656 1 3 . 1 1 31 31 GLN C C 31 179.163 179.163 178.297 0.866 25123 657 1 3 . 1 1 31 31 GLN CA C 31 59.483 59.483 58.740 0.743 25123 658 1 3 . 1 1 31 31 GLN CB C 31 28.051 28.051 28.626 -0.575 25123 659 1 3 . 1 1 32 32 ASP N N 32 121.376 121.376 120.136 1.240 25123 660 1 3 . 1 1 32 32 ASP C C 32 177.594 177.594 178.412 -0.818 25123 661 1 3 . 1 1 32 32 ASP CA C 32 57.854 57.854 56.720 1.134 25123 662 1 3 . 1 1 32 32 ASP CB C 32 38.739 38.739 40.875 -2.136 25123 663 1 3 . 1 1 33 33 LYS N N 33 119.963 119.963 119.030 0.933 25123 664 1 3 . 1 1 33 33 LYS C C 33 178.061 178.061 177.389 0.672 25123 665 1 3 . 1 1 33 33 LYS CA C 33 59.494 59.494 58.456 1.038 25123 666 1 3 . 1 1 33 33 LYS CB C 33 34.403 34.403 33.084 1.319 25123 667 1 3 . 1 1 34 34 GLU N N 34 112.029 112.029 115.847 -3.818 25123 668 1 3 . 1 1 34 34 GLU C C 34 177.386 177.386 174.961 2.425 25123 669 1 3 . 1 1 34 34 GLU CA C 34 55.006 55.006 55.013 -0.007 25123 670 1 3 . 1 1 34 34 GLU CB C 34 33.307 33.307 34.058 -0.751 25123 671 1 3 . 1 1 35 35 GLY N N 35 109.223 109.223 109.824 -0.601 25123 672 1 3 . 1 1 35 35 GLY C C 35 173.934 173.934 173.968 -0.034 25123 673 1 3 . 1 1 35 35 GLY CA C 35 45.964 45.964 45.544 0.420 25123 674 1 3 . 1 1 36 36 ILE N N 36 119.661 119.661 119.770 -0.109 25123 675 1 3 . 1 1 36 36 ILE C C 36 173.453 173.453 173.049 0.404 25123 676 1 3 . 1 1 36 36 ILE CA C 36 57.734 57.734 57.490 0.244 25123 677 1 3 . 1 1 36 36 ILE CB C 36 40.420 40.420 40.737 -0.317 25123 678 1 3 . 1 1 37 37 PRO C C 37 176.699 176.699 176.223 0.476 25123 679 1 3 . 1 1 37 37 PRO CA C 37 61.756 61.756 61.843 -0.087 25123 680 1 3 . 1 1 37 37 PRO CB C 37 32.060 32.060 30.927 1.133 25123 681 1 3 . 1 1 38 38 PRO C C 38 178.414 178.414 178.062 0.352 25123 682 1 3 . 1 1 38 38 PRO CA C 38 66.435 66.435 65.257 1.178 25123 683 1 3 . 1 1 38 38 PRO CB C 38 33.006 33.006 31.730 1.276 25123 684 1 3 . 1 1 39 39 ASP N N 39 114.957 114.957 114.761 0.196 25123 685 1 3 . 1 1 39 39 ASP C C 39 177.285 177.285 176.761 0.524 25123 686 1 3 . 1 1 39 39 ASP CA C 39 55.350 55.350 55.981 -0.631 25123 687 1 3 . 1 1 39 39 ASP CB C 39 38.299 38.299 39.420 -1.121 25123 688 1 3 . 1 1 40 40 GLN N N 40 117.762 117.762 115.955 1.807 25123 689 1 3 . 1 1 40 40 GLN C C 40 175.906 175.906 175.984 -0.078 25123 690 1 3 . 1 1 40 40 GLN CA C 40 55.230 55.230 55.535 -0.305 25123 691 1 3 . 1 1 40 40 GLN CB C 40 29.502 29.502 30.320 -0.818 25123 692 1 3 . 1 1 41 41 GLN N N 41 120.681 120.681 119.989 0.692 25123 693 1 3 . 1 1 41 41 GLN C C 41 174.686 174.686 175.213 -0.527 25123 694 1 3 . 1 1 41 41 GLN CA C 41 55.891 55.891 55.353 0.538 25123 695 1 3 . 1 1 41 41 GLN CB C 41 30.670 30.670 28.980 1.690 25123 696 1 3 . 1 1 42 42 ARG N N 42 125.708 125.708 123.133 2.575 25123 697 1 3 . 1 1 42 42 ARG C C 42 173.531 173.531 174.742 -1.211 25123 698 1 3 . 1 1 42 42 ARG CA C 42 55.148 55.148 55.123 0.025 25123 699 1 3 . 1 1 42 42 ARG CB C 42 30.753 30.753 32.191 -1.438 25123 700 1 3 . 1 1 43 43 LEU N N 43 126.959 126.959 120.124 6.835 25123 701 1 3 . 1 1 43 43 LEU C C 43 175.631 175.631 175.531 0.100 25123 702 1 3 . 1 1 43 43 LEU CA C 43 53.257 53.257 53.305 -0.048 25123 703 1 3 . 1 1 43 43 LEU CB C 43 47.381 47.381 45.072 2.309 25123 704 1 3 . 1 1 44 44 ILE N N 44 119.272 119.272 118.702 0.570 25123 705 1 3 . 1 1 44 44 ILE C C 44 176.098 176.098 174.221 1.877 25123 706 1 3 . 1 1 44 44 ILE CA C 44 58.211 58.211 60.263 -2.052 25123 707 1 3 . 1 1 44 44 ILE CB C 44 41.466 41.466 42.577 -1.111 25123 708 1 3 . 1 1 45 45 PHE N N 45 123.683 123.683 126.681 -2.998 25123 709 1 3 . 1 1 45 45 PHE C C 45 173.634 173.634 174.686 -1.052 25123 710 1 3 . 1 1 45 45 PHE CA C 45 56.424 56.424 56.013 0.411 25123 711 1 3 . 1 1 45 45 PHE CB C 45 44.327 44.327 42.096 2.232 25123 712 1 3 . 1 1 46 46 ALA N N 46 135.683 135.683 129.893 5.790 25123 713 1 3 . 1 1 46 46 ALA C C 46 177.303 177.303 177.138 0.165 25123 714 1 3 . 1 1 46 46 ALA CA C 46 52.154 52.154 52.600 -0.446 25123 715 1 3 . 1 1 46 46 ALA CB C 46 16.523 16.523 16.028 0.495 25123 716 1 3 . 1 1 47 47 GLY N N 47 103.653 103.653 103.140 0.513 25123 717 1 3 . 1 1 47 47 GLY C C 47 173.479 173.479 174.869 -1.390 25123 718 1 3 . 1 1 47 47 GLY CA C 47 45.566 45.566 45.148 0.418 25123 719 1 3 . 1 1 48 48 LYS N N 48 122.542 122.542 124.578 -2.036 25123 720 1 3 . 1 1 48 48 LYS C C 48 174.995 174.995 176.068 -1.073 25123 721 1 3 . 1 1 48 48 LYS CA C 48 55.336 55.336 55.804 -0.468 25123 722 1 3 . 1 1 48 48 LYS CB C 48 31.402 31.402 32.906 -1.504 25123 723 1 3 . 1 1 49 49 GLN N N 49 123.910 123.910 124.343 -0.433 25123 724 1 3 . 1 1 49 49 GLN C C 49 175.717 175.717 175.003 0.714 25123 725 1 3 . 1 1 49 49 GLN CA C 49 55.930 55.930 55.478 0.452 25123 726 1 3 . 1 1 49 49 GLN CB C 49 30.277 30.277 29.090 1.187 25123 727 1 3 . 1 1 50 50 LEU N N 50 123.942 123.942 128.119 -4.177 25123 728 1 3 . 1 1 50 50 LEU C C 50 176.418 176.418 176.513 -0.095 25123 729 1 3 . 1 1 50 50 LEU CA C 50 54.097 54.097 55.163 -1.066 25123 730 1 3 . 1 1 50 50 LEU CB C 50 41.271 41.271 41.703 -0.432 25123 731 1 3 . 1 1 51 51 GLU N N 51 123.530 123.530 124.412 -0.882 25123 732 1 3 . 1 1 51 51 GLU C C 51 177.113 177.113 176.208 0.905 25123 733 1 3 . 1 1 51 51 GLU CA C 51 55.885 55.885 55.640 0.245 25123 734 1 3 . 1 1 51 51 GLU CB C 51 29.933 29.933 30.314 -0.381 25123 735 1 3 . 1 1 52 52 ASP N N 52 118.613 118.613 119.125 -0.512 25123 736 1 3 . 1 1 52 52 ASP C C 52 175.901 175.901 176.225 -0.324 25123 737 1 3 . 1 1 52 52 ASP CA C 52 57.657 57.657 55.228 2.429 25123 738 1 3 . 1 1 52 52 ASP CB C 52 39.653 39.653 40.259 -0.606 25123 739 1 3 . 1 1 53 53 GLY N N 53 100.907 100.907 104.341 -3.434 25123 740 1 3 . 1 1 53 53 GLY C C 53 174.864 174.864 173.695 1.169 25123 741 1 3 . 1 1 53 53 GLY CA C 53 45.569 45.569 44.491 1.078 25123 742 1 3 . 1 1 54 54 ARG N N 54 120.839 120.839 119.375 1.464 25123 743 1 3 . 1 1 54 54 ARG C C 54 175.028 175.028 176.090 -1.062 25123 744 1 3 . 1 1 54 54 ARG CA C 54 53.399 53.399 55.494 -2.095 25123 745 1 3 . 1 1 54 54 ARG CB C 54 32.641 32.641 31.192 1.448 25123 746 1 3 . 1 1 55 55 THR N N 55 107.625 107.625 117.172 -9.547 25123 747 1 3 . 1 1 55 55 THR C C 55 176.443 176.443 174.831 1.612 25123 748 1 3 . 1 1 55 55 THR CA C 55 59.622 59.622 63.897 -4.275 25123 749 1 3 . 1 1 55 55 THR CB C 55 73.519 73.519 69.376 4.143 25123 750 1 3 . 1 1 56 56 LEU N N 56 117.418 117.418 127.599 -10.181 25123 751 1 3 . 1 1 56 56 LEU C C 56 180.338 180.338 178.589 1.749 25123 752 1 3 . 1 1 56 56 LEU CA C 56 58.330 58.330 56.745 1.585 25123 753 1 3 . 1 1 56 56 LEU CB C 56 39.711 39.711 41.850 -2.139 25123 754 1 3 . 1 1 57 57 SER N N 57 112.187 112.187 114.944 -2.757 25123 755 1 3 . 1 1 57 57 SER C C 57 178.403 178.403 176.016 2.387 25123 756 1 3 . 1 1 57 57 SER CA C 57 60.751 60.751 61.255 -0.504 25123 757 1 3 . 1 1 57 57 SER CB C 57 62.656 62.656 62.759 -0.103 25123 758 1 3 . 1 1 58 58 ASP N N 58 125.051 125.051 118.589 6.462 25123 759 1 3 . 1 1 58 58 ASP C C 58 176.085 176.085 176.880 -0.795 25123 760 1 3 . 1 1 58 58 ASP CA C 58 57.592 57.592 55.983 1.609 25123 761 1 3 . 1 1 58 58 ASP CB C 58 38.834 38.834 40.773 -1.939 25123 762 1 3 . 1 1 59 59 TYR N N 59 113.039 113.039 116.375 -3.336 25123 763 1 3 . 1 1 59 59 TYR C C 59 175.980 175.980 175.052 0.928 25123 764 1 3 . 1 1 59 59 TYR CA C 59 57.117 57.117 58.921 -1.804 25123 765 1 3 . 1 1 59 59 TYR CB C 59 40.451 40.451 38.689 1.762 25123 766 1 3 . 1 1 60 60 ASN N N 60 117.395 117.395 115.903 1.492 25123 767 1 3 . 1 1 60 60 ASN C C 60 174.090 174.090 174.726 -0.636 25123 768 1 3 . 1 1 60 60 ASN CA C 60 53.685 53.685 53.599 0.086 25123 769 1 3 . 1 1 60 60 ASN CB C 60 37.668 37.668 37.615 0.053 25123 770 1 3 . 1 1 61 61 ILE N N 61 118.676 118.676 118.405 0.271 25123 771 1 3 . 1 1 61 61 ILE C C 61 174.143 174.143 175.807 -1.664 25123 772 1 3 . 1 1 61 61 ILE CA C 61 62.910 62.910 61.278 1.632 25123 773 1 3 . 1 1 61 61 ILE CB C 61 36.447 36.447 37.582 -1.135 25123 774 1 3 . 1 1 62 62 GLN N N 62 125.804 125.804 126.392 -0.588 25123 775 1 3 . 1 1 62 62 GLN C C 62 175.238 175.238 176.320 -1.082 25123 776 1 3 . 1 1 62 62 GLN CA C 62 53.591 53.591 54.789 -1.198 25123 777 1 3 . 1 1 62 62 GLN CB C 62 32.176 32.176 29.566 2.610 25123 778 1 3 . 1 1 63 63 LYS N N 63 119.391 119.391 118.938 0.453 25123 779 1 3 . 1 1 63 63 LYS C C 63 176.583 176.583 175.635 0.948 25123 780 1 3 . 1 1 63 63 LYS CA C 63 58.439 58.439 57.666 0.773 25123 781 1 3 . 1 1 63 63 LYS CB C 63 32.841 32.841 30.325 2.516 25123 782 1 3 . 1 1 64 64 GLU N N 64 114.930 114.930 113.707 1.223 25123 783 1 3 . 1 1 64 64 GLU C C 64 174.910 174.910 175.131 -0.221 25123 784 1 3 . 1 1 64 64 GLU CA C 64 58.210 58.210 56.668 1.542 25123 785 1 3 . 1 1 64 64 GLU CB C 64 26.087 26.087 27.142 -1.055 25123 786 1 3 . 1 1 65 65 SER N N 65 115.678 115.678 115.796 -0.118 25123 787 1 3 . 1 1 65 65 SER C C 65 171.997 171.997 174.459 -2.462 25123 788 1 3 . 1 1 65 65 SER CA C 65 61.259 61.259 59.621 1.637 25123 789 1 3 . 1 1 65 65 SER CB C 65 65.081 65.081 64.620 0.461 25123 790 1 3 . 1 1 66 66 THR N N 66 118.225 118.225 114.300 3.925 25123 791 1 3 . 1 1 66 66 THR C C 66 172.934 172.934 174.395 -1.461 25123 792 1 3 . 1 1 66 66 THR CA C 66 62.542 62.542 61.200 1.343 25123 793 1 3 . 1 1 66 66 THR CB C 66 69.996 69.996 69.406 0.590 25123 794 1 3 . 1 1 67 67 LEU N N 67 128.926 128.926 125.799 3.127 25123 795 1 3 . 1 1 67 67 LEU C C 67 175.489 175.489 176.537 -1.048 25123 796 1 3 . 1 1 67 67 LEU CA C 67 53.446 53.446 53.558 -0.112 25123 797 1 3 . 1 1 67 67 LEU CB C 67 44.469 44.469 43.306 1.163 25123 798 1 3 . 1 1 68 68 HIS N N 68 117.795 117.795 121.724 -3.929 25123 799 1 3 . 1 1 68 68 HIS C C 68 175.598 175.598 174.161 1.437 25123 800 1 3 . 1 1 68 68 HIS CA C 68 54.470 54.470 56.651 -2.180 25123 801 1 3 . 1 1 68 68 HIS CB C 68 30.406 30.406 30.900 -0.494 25123 802 1 3 . 1 1 69 69 LEU N N 69 125.977 125.977 124.211 1.766 25123 803 1 3 . 1 1 69 69 LEU C C 69 176.381 176.381 175.708 0.673 25123 804 1 3 . 1 1 69 69 LEU CA C 69 55.244 55.244 53.840 1.403 25123 805 1 3 . 1 1 69 69 LEU CB C 69 41.876 41.876 44.530 -2.654 25123 806 1 3 . 1 1 70 70 VAL N N 70 112.216 112.216 118.736 -6.520 25123 807 1 3 . 1 1 70 70 VAL C C 70 176.198 176.198 175.535 0.663 25123 808 1 3 . 1 1 70 70 VAL CA C 70 58.852 58.852 61.190 -2.338 25123 809 1 3 . 1 1 70 70 VAL CB C 70 36.273 36.273 32.751 3.522 25123 810 1 3 . 1 1 71 71 LEU N N 71 119.738 119.738 122.045 -2.307 25123 811 1 4 . 1 1 2 2 GLN N N 2 124.995 124.995 117.903 7.092 25123 812 1 4 . 1 1 2 2 GLN C C 2 175.129 175.129 175.318 -0.189 25123 813 1 4 . 1 1 2 2 GLN CA C 2 54.151 54.151 55.064 -0.913 25123 814 1 4 . 1 1 2 2 GLN CB C 2 31.512 31.512 30.546 0.966 25123 815 1 4 . 1 1 3 3 ILE N N 3 115.187 115.187 119.834 -4.647 25123 816 1 4 . 1 1 3 3 ILE C C 3 172.341 172.341 174.190 -1.849 25123 817 1 4 . 1 1 3 3 ILE CA C 3 58.782 58.782 60.900 -2.118 25123 818 1 4 . 1 1 3 3 ILE CB C 3 41.724 41.724 41.359 0.365 25123 819 1 4 . 1 1 4 4 PHE N N 4 119.217 119.217 125.497 -6.280 25123 820 1 4 . 1 1 4 4 PHE C C 4 175.271 175.271 174.662 0.609 25123 821 1 4 . 1 1 4 4 PHE CA C 4 54.724 54.724 55.164 -0.440 25123 822 1 4 . 1 1 4 4 PHE CB C 4 41.420 41.420 41.931 -0.511 25123 823 1 4 . 1 1 5 5 VAL N N 5 120.981 120.981 119.682 1.299 25123 824 1 4 . 1 1 5 5 VAL C C 5 175.475 175.475 174.376 1.099 25123 825 1 4 . 1 1 5 5 VAL CA C 5 59.985 59.985 60.344 -0.359 25123 826 1 4 . 1 1 5 5 VAL CB C 5 34.746 34.746 34.211 0.535 25123 827 1 4 . 1 1 6 6 LYS N N 6 126.148 126.148 125.913 0.235 25123 828 1 4 . 1 1 6 6 LYS C C 6 177.162 177.162 175.878 1.284 25123 829 1 4 . 1 1 6 6 LYS CA C 6 53.411 53.411 55.276 -1.865 25123 830 1 4 . 1 1 6 6 LYS CB C 6 33.816 33.816 34.286 -0.470 25123 831 1 4 . 1 1 7 7 THR N N 7 112.835 112.835 116.292 -3.457 25123 832 1 4 . 1 1 7 7 THR C C 7 177.658 177.658 176.582 1.076 25123 833 1 4 . 1 1 7 7 THR CA C 7 60.275 60.275 59.925 0.351 25123 834 1 4 . 1 1 7 7 THR CB C 7 70.196 70.196 70.577 -0.381 25123 835 1 4 . 1 1 8 8 LEU N N 8 119.266 119.266 118.502 0.764 25123 836 1 4 . 1 1 8 8 LEU C C 8 177.371 177.371 177.003 0.368 25123 837 1 4 . 1 1 8 8 LEU CA C 8 57.281 57.281 57.467 -0.186 25123 838 1 4 . 1 1 8 8 LEU CB C 8 42.393 42.393 41.299 1.094 25123 839 1 4 . 1 1 9 9 THR N N 9 102.533 102.533 112.235 -9.702 25123 840 1 4 . 1 1 9 9 THR C C 9 175.626 175.626 175.553 0.073 25123 841 1 4 . 1 1 9 9 THR CA C 9 60.939 60.939 61.921 -0.982 25123 842 1 4 . 1 1 9 9 THR CB C 9 69.319 69.319 68.332 0.987 25123 843 1 4 . 1 1 10 10 GLY N N 10 109.378 109.378 111.177 -1.799 25123 844 1 4 . 1 1 10 10 GLY C C 10 173.399 173.399 173.603 -0.204 25123 845 1 4 . 1 1 10 10 GLY CA C 10 44.919 44.919 45.421 -0.502 25123 846 1 4 . 1 1 11 11 LYS N N 11 122.170 122.170 121.415 0.755 25123 847 1 4 . 1 1 11 11 LYS C C 11 175.345 175.345 175.446 -0.101 25123 848 1 4 . 1 1 11 11 LYS CA C 11 56.455 56.455 55.428 1.027 25123 849 1 4 . 1 1 11 11 LYS CB C 11 32.909 32.909 33.578 -0.669 25123 850 1 4 . 1 1 12 12 THR N N 12 119.755 119.755 121.976 -2.221 25123 851 1 4 . 1 1 12 12 THR C C 12 174.369 174.369 174.016 0.353 25123 852 1 4 . 1 1 12 12 THR CA C 12 62.752 62.752 63.185 -0.434 25123 853 1 4 . 1 1 12 12 THR CB C 12 69.600 69.600 68.899 0.701 25123 854 1 4 . 1 1 13 13 ILE N N 13 128.577 128.577 129.878 -1.301 25123 855 1 4 . 1 1 13 13 ILE C C 13 175.206 175.206 173.825 1.381 25123 856 1 4 . 1 1 13 13 ILE CA C 13 59.786 59.786 60.030 -0.244 25123 857 1 4 . 1 1 13 13 ILE CB C 13 40.425 40.425 39.953 0.472 25123 858 1 4 . 1 1 14 14 THR N N 14 124.443 124.443 123.776 0.667 25123 859 1 4 . 1 1 14 14 THR C C 14 174.021 174.021 173.721 0.300 25123 860 1 4 . 1 1 14 14 THR CA C 14 62.575 62.575 61.359 1.216 25123 861 1 4 . 1 1 14 14 THR CB C 14 69.456 69.456 70.165 -0.709 25123 862 1 4 . 1 1 15 15 LEU N N 15 125.201 125.201 124.001 1.200 25123 863 1 4 . 1 1 15 15 LEU C C 15 174.061 174.061 175.968 -1.907 25123 864 1 4 . 1 1 15 15 LEU CA C 15 52.527 52.527 53.585 -1.058 25123 865 1 4 . 1 1 15 15 LEU CB C 15 46.336 46.336 43.806 2.530 25123 866 1 4 . 1 1 16 16 GLU N N 16 123.386 123.386 121.527 1.859 25123 867 1 4 . 1 1 16 16 GLU C C 16 175.078 175.078 175.071 0.007 25123 868 1 4 . 1 1 16 16 GLU CA C 16 54.227 54.227 55.633 -1.406 25123 869 1 4 . 1 1 16 16 GLU CB C 16 30.420 30.420 29.900 0.520 25123 870 1 4 . 1 1 17 17 VAL N N 17 118.752 118.752 123.572 -4.820 25123 871 1 4 . 1 1 17 17 VAL C C 17 175.053 175.053 174.066 0.987 25123 872 1 4 . 1 1 17 17 VAL CA C 17 58.614 58.614 59.865 -1.251 25123 873 1 4 . 1 1 17 17 VAL CB C 17 36.538 36.538 35.622 0.916 25123 874 1 4 . 1 1 18 18 GLU N N 18 119.002 119.002 121.482 -2.480 25123 875 1 4 . 1 1 18 18 GLU C C 18 175.268 175.268 175.300 -0.032 25123 876 1 4 . 1 1 18 18 GLU CA C 18 54.699 54.699 53.735 0.964 25123 877 1 4 . 1 1 18 18 GLU CB C 18 29.855 29.855 29.138 0.717 25123 878 1 4 . 1 1 19 19 PRO C C 19 177.480 177.480 176.369 1.111 25123 879 1 4 . 1 1 19 19 PRO CA C 19 65.786 65.786 64.212 1.574 25123 880 1 4 . 1 1 19 19 PRO CB C 19 32.203 32.203 31.878 0.325 25123 881 1 4 . 1 1 20 20 SER N N 20 108.760 108.760 113.137 -4.377 25123 882 1 4 . 1 1 20 20 SER C C 20 173.331 173.331 174.044 -0.713 25123 883 1 4 . 1 1 20 20 SER CA C 20 57.116 57.116 59.525 -2.409 25123 884 1 4 . 1 1 20 20 SER CB C 20 61.298 61.298 63.115 -1.817 25123 885 1 4 . 1 1 21 21 ASP N N 21 122.289 122.289 121.343 0.946 25123 886 1 4 . 1 1 21 21 ASP C C 21 176.559 176.559 174.703 1.856 25123 887 1 4 . 1 1 21 21 ASP CA C 21 56.652 56.652 55.156 1.496 25123 888 1 4 . 1 1 21 21 ASP CB C 21 38.542 38.542 39.777 -1.235 25123 889 1 4 . 1 1 22 22 THR N N 22 106.584 106.584 111.098 -4.514 25123 890 1 4 . 1 1 22 22 THR C C 22 176.291 176.291 176.418 -0.127 25123 891 1 4 . 1 1 22 22 THR CA C 22 59.648 59.648 61.925 -2.277 25123 892 1 4 . 1 1 22 22 THR CB C 22 70.782 70.782 69.928 0.854 25123 893 1 4 . 1 1 23 23 ILE N N 23 121.744 121.744 126.389 -4.645 25123 894 1 4 . 1 1 23 23 ILE C C 23 179.237 179.237 177.693 1.544 25123 895 1 4 . 1 1 23 23 ILE CA C 23 61.844 61.844 66.193 -4.349 25123 896 1 4 . 1 1 23 23 ILE CB C 23 33.283 33.283 36.674 -3.391 25123 897 1 4 . 1 1 24 24 GLU N N 24 123.433 123.433 119.026 4.407 25123 898 1 4 . 1 1 24 24 GLU C C 24 178.873 178.873 178.578 0.295 25123 899 1 4 . 1 1 24 24 GLU CA C 24 58.974 58.974 59.390 -0.416 25123 900 1 4 . 1 1 24 24 GLU CB C 24 30.615 30.615 28.542 2.073 25123 901 1 4 . 1 1 25 25 ASN N N 25 121.016 121.016 117.903 3.113 25123 902 1 4 . 1 1 25 25 ASN C C 25 180.408 180.408 178.139 2.269 25123 903 1 4 . 1 1 25 25 ASN CA C 25 55.296 55.296 55.291 0.005 25123 904 1 4 . 1 1 25 25 ASN CB C 25 36.619 36.619 38.671 -2.052 25123 905 1 4 . 1 1 26 26 VAL N N 26 124.407 124.407 122.250 2.157 25123 906 1 4 . 1 1 26 26 VAL C C 26 177.380 177.380 177.048 0.332 25123 907 1 4 . 1 1 26 26 VAL CA C 26 67.722 67.722 66.264 1.458 25123 908 1 4 . 1 1 26 26 VAL CB C 26 30.996 30.996 31.811 -0.815 25123 909 1 4 . 1 1 27 27 LYS N N 27 119.991 119.991 120.267 -0.276 25123 910 1 4 . 1 1 27 27 LYS C C 27 180.822 180.822 178.285 2.537 25123 911 1 4 . 1 1 27 27 LYS CA C 27 58.952 58.952 59.934 -0.982 25123 912 1 4 . 1 1 27 27 LYS CB C 27 34.687 34.687 32.051 2.635 25123 913 1 4 . 1 1 28 28 ALA N N 28 122.173 122.173 120.342 1.831 25123 914 1 4 . 1 1 28 28 ALA C C 28 179.943 179.943 179.380 0.563 25123 915 1 4 . 1 1 28 28 ALA CA C 28 54.994 54.994 55.337 -0.344 25123 916 1 4 . 1 1 28 28 ALA CB C 28 18.446 18.446 18.396 0.050 25123 917 1 4 . 1 1 29 29 LYS N N 29 118.608 118.608 118.675 -0.067 25123 918 1 4 . 1 1 29 29 LYS C C 29 180.778 180.778 178.974 1.804 25123 919 1 4 . 1 1 29 29 LYS CA C 29 59.260 59.260 59.230 0.030 25123 920 1 4 . 1 1 29 29 LYS CB C 29 33.897 33.897 32.272 1.625 25123 921 1 4 . 1 1 30 30 ILE N N 30 122.662 122.662 119.441 3.221 25123 922 1 4 . 1 1 30 30 ILE C C 30 177.453 177.453 178.241 -0.788 25123 923 1 4 . 1 1 30 30 ILE CA C 30 66.346 66.346 63.250 3.096 25123 924 1 4 . 1 1 30 30 ILE CB C 30 36.850 36.850 36.925 -0.075 25123 925 1 4 . 1 1 31 31 GLN N N 31 122.791 122.791 120.124 2.667 25123 926 1 4 . 1 1 31 31 GLN C C 31 179.163 179.163 178.281 0.882 25123 927 1 4 . 1 1 31 31 GLN CA C 31 59.483 59.483 58.245 1.238 25123 928 1 4 . 1 1 31 31 GLN CB C 31 28.051 28.051 28.322 -0.271 25123 929 1 4 . 1 1 32 32 ASP N N 32 121.376 121.376 120.618 0.758 25123 930 1 4 . 1 1 32 32 ASP C C 32 177.594 177.594 178.116 -0.522 25123 931 1 4 . 1 1 32 32 ASP CA C 32 57.854 57.854 56.726 1.128 25123 932 1 4 . 1 1 32 32 ASP CB C 32 38.739 38.739 40.718 -1.979 25123 933 1 4 . 1 1 33 33 LYS N N 33 119.963 119.963 118.437 1.526 25123 934 1 4 . 1 1 33 33 LYS C C 33 178.061 178.061 177.195 0.866 25123 935 1 4 . 1 1 33 33 LYS CA C 33 59.494 59.494 58.039 1.455 25123 936 1 4 . 1 1 33 33 LYS CB C 33 34.403 34.403 33.272 1.131 25123 937 1 4 . 1 1 34 34 GLU N N 34 112.029 112.029 117.367 -5.338 25123 938 1 4 . 1 1 34 34 GLU C C 34 177.386 177.386 175.154 2.232 25123 939 1 4 . 1 1 34 34 GLU CA C 34 55.006 55.006 54.939 0.067 25123 940 1 4 . 1 1 34 34 GLU CB C 34 33.307 33.307 33.263 0.044 25123 941 1 4 . 1 1 35 35 GLY N N 35 109.223 109.223 109.314 -0.091 25123 942 1 4 . 1 1 35 35 GLY C C 35 173.934 173.934 173.448 0.486 25123 943 1 4 . 1 1 35 35 GLY CA C 35 45.964 45.964 45.288 0.676 25123 944 1 4 . 1 1 36 36 ILE N N 36 119.661 119.661 124.162 -4.501 25123 945 1 4 . 1 1 36 36 ILE C C 36 173.453 173.453 173.332 0.121 25123 946 1 4 . 1 1 36 36 ILE CA C 36 57.734 57.734 57.812 -0.078 25123 947 1 4 . 1 1 36 36 ILE CB C 36 40.420 40.420 41.158 -0.738 25123 948 1 4 . 1 1 37 37 PRO C C 37 176.699 176.699 176.036 0.663 25123 949 1 4 . 1 1 37 37 PRO CA C 37 61.756 61.756 61.599 0.157 25123 950 1 4 . 1 1 37 37 PRO CB C 37 32.060 32.060 31.021 1.039 25123 951 1 4 . 1 1 38 38 PRO C C 38 178.414 178.414 178.153 0.261 25123 952 1 4 . 1 1 38 38 PRO CA C 38 66.435 66.435 65.205 1.230 25123 953 1 4 . 1 1 38 38 PRO CB C 38 33.006 33.006 31.697 1.309 25123 954 1 4 . 1 1 39 39 ASP N N 39 114.957 114.957 118.174 -3.217 25123 955 1 4 . 1 1 39 39 ASP C C 39 177.285 177.285 177.027 0.258 25123 956 1 4 . 1 1 39 39 ASP CA C 39 55.350 55.350 56.204 -0.854 25123 957 1 4 . 1 1 39 39 ASP CB C 39 38.299 38.299 39.793 -1.494 25123 958 1 4 . 1 1 40 40 GLN N N 40 117.762 117.762 115.707 2.055 25123 959 1 4 . 1 1 40 40 GLN C C 40 175.906 175.906 174.829 1.077 25123 960 1 4 . 1 1 40 40 GLN CA C 40 55.230 55.230 54.753 0.477 25123 961 1 4 . 1 1 40 40 GLN CB C 40 29.502 29.502 29.125 0.377 25123 962 1 4 . 1 1 41 41 GLN N N 41 120.681 120.681 121.006 -0.325 25123 963 1 4 . 1 1 41 41 GLN C C 41 174.686 174.686 175.110 -0.424 25123 964 1 4 . 1 1 41 41 GLN CA C 41 55.891 55.891 55.386 0.505 25123 965 1 4 . 1 1 41 41 GLN CB C 41 30.670 30.670 28.907 1.763 25123 966 1 4 . 1 1 42 42 ARG N N 42 125.708 125.708 125.037 0.671 25123 967 1 4 . 1 1 42 42 ARG C C 42 173.531 173.531 174.819 -1.288 25123 968 1 4 . 1 1 42 42 ARG CA C 42 55.148 55.148 55.154 -0.006 25123 969 1 4 . 1 1 42 42 ARG CB C 42 30.753 30.753 32.407 -1.654 25123 970 1 4 . 1 1 43 43 LEU N N 43 126.959 126.959 122.229 4.730 25123 971 1 4 . 1 1 43 43 LEU C C 43 175.631 175.631 175.556 0.075 25123 972 1 4 . 1 1 43 43 LEU CA C 43 53.257 53.257 53.637 -0.380 25123 973 1 4 . 1 1 43 43 LEU CB C 43 47.381 47.381 45.128 2.253 25123 974 1 4 . 1 1 44 44 ILE N N 44 119.272 119.272 118.970 0.302 25123 975 1 4 . 1 1 44 44 ILE C C 44 176.098 176.098 174.222 1.876 25123 976 1 4 . 1 1 44 44 ILE CA C 44 58.211 58.211 60.250 -2.039 25123 977 1 4 . 1 1 44 44 ILE CB C 44 41.466 41.466 42.212 -0.746 25123 978 1 4 . 1 1 45 45 PHE N N 45 123.683 123.683 126.196 -2.513 25123 979 1 4 . 1 1 45 45 PHE C C 45 173.634 173.634 174.721 -1.087 25123 980 1 4 . 1 1 45 45 PHE CA C 45 56.424 56.424 56.134 0.290 25123 981 1 4 . 1 1 45 45 PHE CB C 45 44.327 44.327 42.356 1.971 25123 982 1 4 . 1 1 46 46 ALA N N 46 135.683 135.683 129.934 5.749 25123 983 1 4 . 1 1 46 46 ALA C C 46 177.303 177.303 176.641 0.662 25123 984 1 4 . 1 1 46 46 ALA CA C 46 52.154 52.154 52.717 -0.563 25123 985 1 4 . 1 1 46 46 ALA CB C 46 16.523 16.523 17.125 -0.602 25123 986 1 4 . 1 1 47 47 GLY N N 47 103.653 103.653 103.061 0.592 25123 987 1 4 . 1 1 47 47 GLY C C 47 173.479 173.479 174.819 -1.340 25123 988 1 4 . 1 1 47 47 GLY CA C 47 45.566 45.566 44.985 0.581 25123 989 1 4 . 1 1 48 48 LYS N N 48 122.542 122.542 124.382 -1.840 25123 990 1 4 . 1 1 48 48 LYS C C 48 174.995 174.995 176.304 -1.309 25123 991 1 4 . 1 1 48 48 LYS CA C 48 55.336 55.336 55.985 -0.649 25123 992 1 4 . 1 1 48 48 LYS CB C 48 31.402 31.402 32.766 -1.364 25123 993 1 4 . 1 1 49 49 GLN N N 49 123.910 123.910 124.315 -0.405 25123 994 1 4 . 1 1 49 49 GLN C C 49 175.717 175.717 175.736 -0.019 25123 995 1 4 . 1 1 49 49 GLN CA C 49 55.930 55.930 55.937 -0.007 25123 996 1 4 . 1 1 49 49 GLN CB C 49 30.277 30.277 29.119 1.158 25123 997 1 4 . 1 1 50 50 LEU N N 50 123.942 123.942 127.625 -3.683 25123 998 1 4 . 1 1 50 50 LEU C C 50 176.418 176.418 176.689 -0.271 25123 999 1 4 . 1 1 50 50 LEU CA C 50 54.097 54.097 54.964 -0.867 25123 1000 1 4 . 1 1 50 50 LEU CB C 50 41.271 41.271 41.882 -0.611 25123 1001 1 4 . 1 1 51 51 GLU N N 51 123.530 123.530 124.032 -0.502 25123 1002 1 4 . 1 1 51 51 GLU C C 51 177.113 177.113 176.377 0.736 25123 1003 1 4 . 1 1 51 51 GLU CA C 51 55.885 55.885 55.869 0.016 25123 1004 1 4 . 1 1 51 51 GLU CB C 51 29.933 29.933 30.303 -0.370 25123 1005 1 4 . 1 1 52 52 ASP N N 52 118.613 118.613 118.161 0.452 25123 1006 1 4 . 1 1 52 52 ASP C C 52 175.901 175.901 176.313 -0.412 25123 1007 1 4 . 1 1 52 52 ASP CA C 52 57.657 57.657 54.657 3.000 25123 1008 1 4 . 1 1 52 52 ASP CB C 52 39.653 39.653 39.739 -0.086 25123 1009 1 4 . 1 1 53 53 GLY N N 53 100.907 100.907 104.990 -4.083 25123 1010 1 4 . 1 1 53 53 GLY C C 53 174.864 174.864 173.621 1.243 25123 1011 1 4 . 1 1 53 53 GLY CA C 53 45.569 45.569 44.489 1.080 25123 1012 1 4 . 1 1 54 54 ARG N N 54 120.839 120.839 119.096 1.743 25123 1013 1 4 . 1 1 54 54 ARG C C 54 175.028 175.028 176.231 -1.203 25123 1014 1 4 . 1 1 54 54 ARG CA C 54 53.399 53.399 55.771 -2.372 25123 1015 1 4 . 1 1 54 54 ARG CB C 54 32.641 32.641 31.625 1.016 25123 1016 1 4 . 1 1 55 55 THR N N 55 107.625 107.625 116.631 -9.006 25123 1017 1 4 . 1 1 55 55 THR C C 55 176.443 176.443 175.379 1.064 25123 1018 1 4 . 1 1 55 55 THR CA C 55 59.622 59.622 63.945 -4.323 25123 1019 1 4 . 1 1 55 55 THR CB C 55 73.519 73.519 69.371 4.148 25123 1020 1 4 . 1 1 56 56 LEU N N 56 117.418 117.418 127.752 -10.334 25123 1021 1 4 . 1 1 56 56 LEU C C 56 180.338 180.338 178.025 2.313 25123 1022 1 4 . 1 1 56 56 LEU CA C 56 58.330 58.330 57.376 0.954 25123 1023 1 4 . 1 1 56 56 LEU CB C 56 39.711 39.711 42.002 -2.291 25123 1024 1 4 . 1 1 57 57 SER N N 57 112.187 112.187 114.484 -2.297 25123 1025 1 4 . 1 1 57 57 SER C C 57 178.403 178.403 176.724 1.679 25123 1026 1 4 . 1 1 57 57 SER CA C 57 60.751 60.751 61.412 -0.661 25123 1027 1 4 . 1 1 57 57 SER CB C 57 62.656 62.656 62.591 0.065 25123 1028 1 4 . 1 1 58 58 ASP N N 58 125.051 125.051 120.990 4.061 25123 1029 1 4 . 1 1 58 58 ASP C C 58 176.085 176.085 176.747 -0.662 25123 1030 1 4 . 1 1 58 58 ASP CA C 58 57.592 57.592 55.776 1.815 25123 1031 1 4 . 1 1 58 58 ASP CB C 58 38.834 38.834 40.572 -1.738 25123 1032 1 4 . 1 1 59 59 TYR N N 59 113.039 113.039 116.886 -3.847 25123 1033 1 4 . 1 1 59 59 TYR C C 59 175.980 175.980 174.223 1.757 25123 1034 1 4 . 1 1 59 59 TYR CA C 59 57.117 57.117 59.010 -1.893 25123 1035 1 4 . 1 1 59 59 TYR CB C 59 40.451 40.451 38.498 1.953 25123 1036 1 4 . 1 1 60 60 ASN N N 60 117.395 117.395 113.663 3.732 25123 1037 1 4 . 1 1 60 60 ASN C C 60 174.090 174.090 174.471 -0.381 25123 1038 1 4 . 1 1 60 60 ASN CA C 60 53.685 53.685 54.036 -0.351 25123 1039 1 4 . 1 1 60 60 ASN CB C 60 37.668 37.668 36.650 1.018 25123 1040 1 4 . 1 1 61 61 ILE N N 61 118.676 118.676 119.147 -0.471 25123 1041 1 4 . 1 1 61 61 ILE C C 61 174.143 174.143 176.555 -2.412 25123 1042 1 4 . 1 1 61 61 ILE CA C 61 62.910 62.910 60.895 2.015 25123 1043 1 4 . 1 1 61 61 ILE CB C 61 36.447 36.447 36.939 -0.492 25123 1044 1 4 . 1 1 62 62 GLN N N 62 125.804 125.804 126.699 -0.895 25123 1045 1 4 . 1 1 62 62 GLN C C 62 175.238 175.238 176.415 -1.177 25123 1046 1 4 . 1 1 62 62 GLN CA C 62 53.591 53.591 54.483 -0.891 25123 1047 1 4 . 1 1 62 62 GLN CB C 62 32.176 32.176 29.836 2.340 25123 1048 1 4 . 1 1 63 63 LYS N N 63 119.391 119.391 121.706 -2.315 25123 1049 1 4 . 1 1 63 63 LYS C C 63 176.583 176.583 175.294 1.289 25123 1050 1 4 . 1 1 63 63 LYS CA C 63 58.439 58.439 57.643 0.796 25123 1051 1 4 . 1 1 63 63 LYS CB C 63 32.841 32.841 30.127 2.714 25123 1052 1 4 . 1 1 64 64 GLU N N 64 114.930 114.930 114.063 0.867 25123 1053 1 4 . 1 1 64 64 GLU C C 64 174.910 174.910 174.799 0.111 25123 1054 1 4 . 1 1 64 64 GLU CA C 64 58.210 58.210 56.525 1.685 25123 1055 1 4 . 1 1 64 64 GLU CB C 64 26.087 26.087 26.231 -0.144 25123 1056 1 4 . 1 1 65 65 SER N N 65 115.678 115.678 115.323 0.355 25123 1057 1 4 . 1 1 65 65 SER C C 65 171.997 171.997 174.784 -2.787 25123 1058 1 4 . 1 1 65 65 SER CA C 65 61.259 61.259 59.238 2.021 25123 1059 1 4 . 1 1 65 65 SER CB C 65 65.081 65.081 64.418 0.663 25123 1060 1 4 . 1 1 66 66 THR N N 66 118.225 118.225 115.821 2.404 25123 1061 1 4 . 1 1 66 66 THR C C 66 172.934 172.934 174.544 -1.610 25123 1062 1 4 . 1 1 66 66 THR CA C 66 62.542 62.542 62.078 0.464 25123 1063 1 4 . 1 1 66 66 THR CB C 66 69.996 69.996 69.395 0.601 25123 1064 1 4 . 1 1 67 67 LEU N N 67 128.926 128.926 127.958 0.968 25123 1065 1 4 . 1 1 67 67 LEU C C 67 175.489 175.489 176.198 -0.709 25123 1066 1 4 . 1 1 67 67 LEU CA C 67 53.446 53.446 53.762 -0.316 25123 1067 1 4 . 1 1 67 67 LEU CB C 67 44.469 44.469 43.239 1.230 25123 1068 1 4 . 1 1 68 68 HIS N N 68 117.795 117.795 123.025 -5.230 25123 1069 1 4 . 1 1 68 68 HIS C C 68 175.598 175.598 174.290 1.308 25123 1070 1 4 . 1 1 68 68 HIS CA C 68 54.470 54.470 56.464 -1.994 25123 1071 1 4 . 1 1 68 68 HIS CB C 68 30.406 30.406 31.873 -1.467 25123 1072 1 4 . 1 1 69 69 LEU N N 69 125.977 125.977 123.786 2.191 25123 1073 1 4 . 1 1 69 69 LEU C C 69 176.381 176.381 175.470 0.911 25123 1074 1 4 . 1 1 69 69 LEU CA C 69 55.244 55.244 53.726 1.518 25123 1075 1 4 . 1 1 69 69 LEU CB C 69 41.876 41.876 44.496 -2.620 25123 1076 1 4 . 1 1 70 70 VAL N N 70 112.216 112.216 117.534 -5.318 25123 1077 1 4 . 1 1 70 70 VAL C C 70 176.198 176.198 174.881 1.317 25123 1078 1 4 . 1 1 70 70 VAL CA C 70 58.852 58.852 61.067 -2.215 25123 1079 1 4 . 1 1 70 70 VAL CB C 70 36.273 36.273 34.526 1.747 25123 1080 1 4 . 1 1 71 71 LEU N N 71 119.738 119.738 121.142 -1.404 25123 1081 1 5 . 1 1 2 2 GLN N N 2 124.995 124.995 118.434 6.561 25123 1082 1 5 . 1 1 2 2 GLN C C 2 175.129 175.129 174.326 0.803 25123 1083 1 5 . 1 1 2 2 GLN CA C 2 54.151 54.151 54.291 -0.140 25123 1084 1 5 . 1 1 2 2 GLN CB C 2 31.512 31.512 33.528 -2.016 25123 1085 1 5 . 1 1 3 3 ILE N N 3 115.187 115.187 119.384 -4.197 25123 1086 1 5 . 1 1 3 3 ILE C C 3 172.341 172.341 174.059 -1.718 25123 1087 1 5 . 1 1 3 3 ILE CA C 3 58.782 58.782 60.436 -1.654 25123 1088 1 5 . 1 1 3 3 ILE CB C 3 41.724 41.724 42.184 -0.460 25123 1089 1 5 . 1 1 4 4 PHE N N 4 119.217 119.217 124.800 -5.583 25123 1090 1 5 . 1 1 4 4 PHE C C 4 175.271 175.271 172.374 2.897 25123 1091 1 5 . 1 1 4 4 PHE CA C 4 54.724 54.724 56.177 -1.453 25123 1092 1 5 . 1 1 4 4 PHE CB C 4 41.420 41.420 42.469 -1.049 25123 1093 1 5 . 1 1 5 5 VAL N N 5 120.981 120.981 126.295 -5.314 25123 1094 1 5 . 1 1 5 5 VAL C C 5 175.475 175.475 173.630 1.845 25123 1095 1 5 . 1 1 5 5 VAL CA C 5 59.985 59.985 60.204 -0.219 25123 1096 1 5 . 1 1 5 5 VAL CB C 5 34.746 34.746 36.288 -1.542 25123 1097 1 5 . 1 1 6 6 LYS N N 6 126.148 126.148 125.043 1.105 25123 1098 1 5 . 1 1 6 6 LYS C C 6 177.162 177.162 175.639 1.523 25123 1099 1 5 . 1 1 6 6 LYS CA C 6 53.411 53.411 55.229 -1.818 25123 1100 1 5 . 1 1 6 6 LYS CB C 6 33.816 33.816 33.775 0.041 25123 1101 1 5 . 1 1 7 7 THR N N 7 112.835 112.835 117.507 -4.672 25123 1102 1 5 . 1 1 7 7 THR C C 7 177.658 177.658 176.348 1.310 25123 1103 1 5 . 1 1 7 7 THR CA C 7 60.275 60.275 60.707 -0.432 25123 1104 1 5 . 1 1 7 7 THR CB C 7 70.196 70.196 70.562 -0.366 25123 1105 1 5 . 1 1 8 8 LEU N N 8 119.266 119.266 123.763 -4.497 25123 1106 1 5 . 1 1 8 8 LEU C C 8 177.371 177.371 177.603 -0.232 25123 1107 1 5 . 1 1 8 8 LEU CA C 8 57.281 57.281 57.181 0.100 25123 1108 1 5 . 1 1 8 8 LEU CB C 8 42.393 42.393 41.708 0.685 25123 1109 1 5 . 1 1 9 9 THR N N 9 102.533 102.533 107.769 -5.236 25123 1110 1 5 . 1 1 9 9 THR C C 9 175.626 175.626 175.818 -0.192 25123 1111 1 5 . 1 1 9 9 THR CA C 9 60.939 60.939 62.072 -1.133 25123 1112 1 5 . 1 1 9 9 THR CB C 9 69.319 69.319 69.161 0.158 25123 1113 1 5 . 1 1 10 10 GLY N N 10 109.378 109.378 111.427 -2.049 25123 1114 1 5 . 1 1 10 10 GLY C C 10 173.399 173.399 173.611 -0.212 25123 1115 1 5 . 1 1 10 10 GLY CA C 10 44.919 44.919 44.886 0.033 25123 1116 1 5 . 1 1 11 11 LYS N N 11 122.170 122.170 122.241 -0.071 25123 1117 1 5 . 1 1 11 11 LYS C C 11 175.345 175.345 176.373 -1.028 25123 1118 1 5 . 1 1 11 11 LYS CA C 11 56.455 56.455 56.089 0.366 25123 1119 1 5 . 1 1 11 11 LYS CB C 11 32.909 32.909 33.098 -0.189 25123 1120 1 5 . 1 1 12 12 THR N N 12 119.755 119.755 121.229 -1.474 25123 1121 1 5 . 1 1 12 12 THR C C 12 174.369 174.369 174.077 0.292 25123 1122 1 5 . 1 1 12 12 THR CA C 12 62.752 62.752 63.389 -0.637 25123 1123 1 5 . 1 1 12 12 THR CB C 12 69.600 69.600 69.388 0.212 25123 1124 1 5 . 1 1 13 13 ILE N N 13 128.577 128.577 129.465 -0.888 25123 1125 1 5 . 1 1 13 13 ILE C C 13 175.206 175.206 174.016 1.190 25123 1126 1 5 . 1 1 13 13 ILE CA C 13 59.786 59.786 60.141 -0.355 25123 1127 1 5 . 1 1 13 13 ILE CB C 13 40.425 40.425 40.029 0.397 25123 1128 1 5 . 1 1 14 14 THR N N 14 124.443 124.443 120.869 3.574 25123 1129 1 5 . 1 1 14 14 THR C C 14 174.021 174.021 173.870 0.151 25123 1130 1 5 . 1 1 14 14 THR CA C 14 62.575 62.575 60.568 2.007 25123 1131 1 5 . 1 1 14 14 THR CB C 14 69.456 69.456 70.592 -1.136 25123 1132 1 5 . 1 1 15 15 LEU N N 15 125.201 125.201 122.345 2.856 25123 1133 1 5 . 1 1 15 15 LEU C C 15 174.061 174.061 176.339 -2.278 25123 1134 1 5 . 1 1 15 15 LEU CA C 15 52.527 52.527 53.569 -1.042 25123 1135 1 5 . 1 1 15 15 LEU CB C 15 46.336 46.336 43.449 2.887 25123 1136 1 5 . 1 1 16 16 GLU N N 16 123.386 123.386 122.126 1.260 25123 1137 1 5 . 1 1 16 16 GLU C C 16 175.078 175.078 175.036 0.042 25123 1138 1 5 . 1 1 16 16 GLU CA C 16 54.227 54.227 56.270 -2.043 25123 1139 1 5 . 1 1 16 16 GLU CB C 16 30.420 30.420 29.870 0.550 25123 1140 1 5 . 1 1 17 17 VAL N N 17 118.752 118.752 123.236 -4.484 25123 1141 1 5 . 1 1 17 17 VAL C C 17 175.053 175.053 173.766 1.287 25123 1142 1 5 . 1 1 17 17 VAL CA C 17 58.614 58.614 59.996 -1.382 25123 1143 1 5 . 1 1 17 17 VAL CB C 17 36.538 36.538 35.885 0.653 25123 1144 1 5 . 1 1 18 18 GLU N N 18 119.002 119.002 121.079 -2.077 25123 1145 1 5 . 1 1 18 18 GLU C C 18 175.268 175.268 175.544 -0.276 25123 1146 1 5 . 1 1 18 18 GLU CA C 18 54.699 54.699 53.511 1.188 25123 1147 1 5 . 1 1 18 18 GLU CB C 18 29.855 29.855 29.126 0.729 25123 1148 1 5 . 1 1 19 19 PRO C C 19 177.480 177.480 176.652 0.828 25123 1149 1 5 . 1 1 19 19 PRO CA C 19 65.786 65.786 63.989 1.797 25123 1150 1 5 . 1 1 19 19 PRO CB C 19 32.203 32.203 32.013 0.190 25123 1151 1 5 . 1 1 20 20 SER N N 20 108.760 108.760 112.548 -3.788 25123 1152 1 5 . 1 1 20 20 SER C C 20 173.331 173.331 174.487 -1.156 25123 1153 1 5 . 1 1 20 20 SER CA C 20 57.116 57.116 58.825 -1.709 25123 1154 1 5 . 1 1 20 20 SER CB C 20 61.298 61.298 63.329 -2.031 25123 1155 1 5 . 1 1 21 21 ASP N N 21 122.289 122.289 122.460 -0.171 25123 1156 1 5 . 1 1 21 21 ASP C C 21 176.559 176.559 174.758 1.801 25123 1157 1 5 . 1 1 21 21 ASP CA C 21 56.652 56.652 55.462 1.190 25123 1158 1 5 . 1 1 21 21 ASP CB C 21 38.542 38.542 39.831 -1.289 25123 1159 1 5 . 1 1 22 22 THR N N 22 106.584 106.584 109.544 -2.960 25123 1160 1 5 . 1 1 22 22 THR C C 22 176.291 176.291 176.429 -0.138 25123 1161 1 5 . 1 1 22 22 THR CA C 22 59.648 59.648 60.930 -1.282 25123 1162 1 5 . 1 1 22 22 THR CB C 22 70.782 70.782 69.971 0.811 25123 1163 1 5 . 1 1 23 23 ILE N N 23 121.744 121.744 126.311 -4.567 25123 1164 1 5 . 1 1 23 23 ILE C C 23 179.237 179.237 177.848 1.389 25123 1165 1 5 . 1 1 23 23 ILE CA C 23 61.844 61.844 63.850 -2.006 25123 1166 1 5 . 1 1 23 23 ILE CB C 23 33.283 33.283 36.031 -2.748 25123 1167 1 5 . 1 1 24 24 GLU N N 24 123.433 123.433 119.578 3.855 25123 1168 1 5 . 1 1 24 24 GLU C C 24 178.873 178.873 178.704 0.169 25123 1169 1 5 . 1 1 24 24 GLU CA C 24 58.974 58.974 60.159 -1.185 25123 1170 1 5 . 1 1 24 24 GLU CB C 24 30.615 30.615 29.200 1.415 25123 1171 1 5 . 1 1 25 25 ASN N N 25 121.016 121.016 117.627 3.389 25123 1172 1 5 . 1 1 25 25 ASN C C 25 180.408 180.408 178.084 2.324 25123 1173 1 5 . 1 1 25 25 ASN CA C 25 55.296 55.296 55.781 -0.485 25123 1174 1 5 . 1 1 25 25 ASN CB C 25 36.619 36.619 38.316 -1.698 25123 1175 1 5 . 1 1 26 26 VAL N N 26 124.407 124.407 121.221 3.186 25123 1176 1 5 . 1 1 26 26 VAL C C 26 177.380 177.380 177.761 -0.381 25123 1177 1 5 . 1 1 26 26 VAL CA C 26 67.722 67.722 66.417 1.305 25123 1178 1 5 . 1 1 26 26 VAL CB C 26 30.996 30.996 31.734 -0.738 25123 1179 1 5 . 1 1 27 27 LYS N N 27 119.991 119.991 119.639 0.352 25123 1180 1 5 . 1 1 27 27 LYS C C 27 180.822 180.822 178.684 2.138 25123 1181 1 5 . 1 1 27 27 LYS CA C 27 58.952 58.952 59.680 -0.728 25123 1182 1 5 . 1 1 27 27 LYS CB C 27 34.687 34.687 31.760 2.927 25123 1183 1 5 . 1 1 28 28 ALA N N 28 122.173 122.173 121.174 0.999 25123 1184 1 5 . 1 1 28 28 ALA C C 28 179.943 179.943 179.450 0.493 25123 1185 1 5 . 1 1 28 28 ALA CA C 28 54.994 54.994 55.212 -0.218 25123 1186 1 5 . 1 1 28 28 ALA CB C 28 18.446 18.446 18.259 0.187 25123 1187 1 5 . 1 1 29 29 LYS N N 29 118.608 118.608 118.690 -0.082 25123 1188 1 5 . 1 1 29 29 LYS C C 29 180.778 180.778 178.839 1.939 25123 1189 1 5 . 1 1 29 29 LYS CA C 29 59.260 59.260 59.322 -0.062 25123 1190 1 5 . 1 1 29 29 LYS CB C 29 33.897 33.897 32.411 1.486 25123 1191 1 5 . 1 1 30 30 ILE N N 30 122.662 122.662 119.004 3.658 25123 1192 1 5 . 1 1 30 30 ILE C C 30 177.453 177.453 178.665 -1.212 25123 1193 1 5 . 1 1 30 30 ILE CA C 30 66.346 66.346 63.118 3.228 25123 1194 1 5 . 1 1 30 30 ILE CB C 30 36.850 36.850 36.850 0.000 25123 1195 1 5 . 1 1 31 31 GLN N N 31 122.791 122.791 120.518 2.273 25123 1196 1 5 . 1 1 31 31 GLN C C 31 179.163 179.163 178.479 0.684 25123 1197 1 5 . 1 1 31 31 GLN CA C 31 59.483 59.483 59.144 0.339 25123 1198 1 5 . 1 1 31 31 GLN CB C 31 28.051 28.051 28.538 -0.487 25123 1199 1 5 . 1 1 32 32 ASP N N 32 121.376 121.376 118.716 2.660 25123 1200 1 5 . 1 1 32 32 ASP C C 32 177.594 177.594 177.763 -0.169 25123 1201 1 5 . 1 1 32 32 ASP CA C 32 57.854 57.854 56.572 1.282 25123 1202 1 5 . 1 1 32 32 ASP CB C 32 38.739 38.739 40.322 -1.583 25123 1203 1 5 . 1 1 33 33 LYS N N 33 119.963 119.963 116.646 3.317 25123 1204 1 5 . 1 1 33 33 LYS C C 33 178.061 178.061 177.420 0.641 25123 1205 1 5 . 1 1 33 33 LYS CA C 33 59.494 59.494 57.722 1.772 25123 1206 1 5 . 1 1 33 33 LYS CB C 33 34.403 34.403 32.627 1.776 25123 1207 1 5 . 1 1 34 34 GLU N N 34 112.029 112.029 115.406 -3.377 25123 1208 1 5 . 1 1 34 34 GLU C C 34 177.386 177.386 174.699 2.687 25123 1209 1 5 . 1 1 34 34 GLU CA C 34 55.006 55.006 56.081 -1.075 25123 1210 1 5 . 1 1 34 34 GLU CB C 34 33.307 33.307 30.769 2.538 25123 1211 1 5 . 1 1 35 35 GLY N N 35 109.223 109.223 108.166 1.057 25123 1212 1 5 . 1 1 35 35 GLY C C 35 173.934 173.934 172.993 0.941 25123 1213 1 5 . 1 1 35 35 GLY CA C 35 45.964 45.964 45.076 0.888 25123 1214 1 5 . 1 1 36 36 ILE N N 36 119.661 119.661 119.143 0.518 25123 1215 1 5 . 1 1 36 36 ILE C C 36 173.453 173.453 173.195 0.258 25123 1216 1 5 . 1 1 36 36 ILE CA C 36 57.734 57.734 57.147 0.587 25123 1217 1 5 . 1 1 36 36 ILE CB C 36 40.420 40.420 40.601 -0.181 25123 1218 1 5 . 1 1 37 37 PRO C C 37 176.699 176.699 176.515 0.184 25123 1219 1 5 . 1 1 37 37 PRO CA C 37 61.756 61.756 61.135 0.621 25123 1220 1 5 . 1 1 37 37 PRO CB C 37 32.060 32.060 31.232 0.828 25123 1221 1 5 . 1 1 38 38 PRO C C 38 178.414 178.414 178.776 -0.362 25123 1222 1 5 . 1 1 38 38 PRO CA C 38 66.435 66.435 65.628 0.807 25123 1223 1 5 . 1 1 38 38 PRO CB C 38 33.006 33.006 31.807 1.199 25123 1224 1 5 . 1 1 39 39 ASP N N 39 114.957 114.957 116.629 -1.672 25123 1225 1 5 . 1 1 39 39 ASP C C 39 177.285 177.285 176.689 0.596 25123 1226 1 5 . 1 1 39 39 ASP CA C 39 55.350 55.350 56.172 -0.822 25123 1227 1 5 . 1 1 39 39 ASP CB C 39 38.299 38.299 40.686 -2.387 25123 1228 1 5 . 1 1 40 40 GLN N N 40 117.762 117.762 114.255 3.507 25123 1229 1 5 . 1 1 40 40 GLN C C 40 175.906 175.906 175.171 0.735 25123 1230 1 5 . 1 1 40 40 GLN CA C 40 55.230 55.230 55.085 0.145 25123 1231 1 5 . 1 1 40 40 GLN CB C 40 29.502 29.502 29.748 -0.246 25123 1232 1 5 . 1 1 41 41 GLN N N 41 120.681 120.681 119.768 0.913 25123 1233 1 5 . 1 1 41 41 GLN C C 41 174.686 174.686 174.786 -0.100 25123 1234 1 5 . 1 1 41 41 GLN CA C 41 55.891 55.891 54.970 0.921 25123 1235 1 5 . 1 1 41 41 GLN CB C 41 30.670 30.670 29.824 0.846 25123 1236 1 5 . 1 1 42 42 ARG N N 42 125.708 125.708 122.825 2.883 25123 1237 1 5 . 1 1 42 42 ARG C C 42 173.531 173.531 174.790 -1.259 25123 1238 1 5 . 1 1 42 42 ARG CA C 42 55.148 55.148 55.058 0.090 25123 1239 1 5 . 1 1 42 42 ARG CB C 42 30.753 30.753 32.885 -2.132 25123 1240 1 5 . 1 1 43 43 LEU N N 43 126.959 126.959 121.341 5.618 25123 1241 1 5 . 1 1 43 43 LEU C C 43 175.631 175.631 175.920 -0.289 25123 1242 1 5 . 1 1 43 43 LEU CA C 43 53.257 53.257 53.206 0.051 25123 1243 1 5 . 1 1 43 43 LEU CB C 43 47.381 47.381 45.267 2.114 25123 1244 1 5 . 1 1 44 44 ILE N N 44 119.272 119.272 117.656 1.616 25123 1245 1 5 . 1 1 44 44 ILE C C 44 176.098 176.098 173.814 2.284 25123 1246 1 5 . 1 1 44 44 ILE CA C 44 58.211 58.211 60.277 -2.066 25123 1247 1 5 . 1 1 44 44 ILE CB C 44 41.466 41.466 41.474 -0.008 25123 1248 1 5 . 1 1 45 45 PHE N N 45 123.683 123.683 124.116 -0.433 25123 1249 1 5 . 1 1 45 45 PHE C C 45 173.634 173.634 173.990 -0.356 25123 1250 1 5 . 1 1 45 45 PHE CA C 45 56.424 56.424 56.764 -0.340 25123 1251 1 5 . 1 1 45 45 PHE CB C 45 44.327 44.327 42.862 1.465 25123 1252 1 5 . 1 1 46 46 ALA N N 46 135.683 135.683 129.471 6.212 25123 1253 1 5 . 1 1 46 46 ALA C C 46 177.303 177.303 177.704 -0.401 25123 1254 1 5 . 1 1 46 46 ALA CA C 46 52.154 52.154 52.474 -0.320 25123 1255 1 5 . 1 1 46 46 ALA CB C 46 16.523 16.523 16.172 0.351 25123 1256 1 5 . 1 1 47 47 GLY N N 47 103.653 103.653 104.115 -0.462 25123 1257 1 5 . 1 1 47 47 GLY C C 47 173.479 173.479 174.769 -1.290 25123 1258 1 5 . 1 1 47 47 GLY CA C 47 45.566 45.566 45.489 0.077 25123 1259 1 5 . 1 1 48 48 LYS N N 48 122.542 122.542 124.279 -1.737 25123 1260 1 5 . 1 1 48 48 LYS C C 48 174.995 174.995 175.787 -0.792 25123 1261 1 5 . 1 1 48 48 LYS CA C 48 55.336 55.336 55.617 -0.281 25123 1262 1 5 . 1 1 48 48 LYS CB C 48 31.402 31.402 32.733 -1.331 25123 1263 1 5 . 1 1 49 49 GLN N N 49 123.910 123.910 124.820 -0.910 25123 1264 1 5 . 1 1 49 49 GLN C C 49 175.717 175.717 175.030 0.687 25123 1265 1 5 . 1 1 49 49 GLN CA C 49 55.930 55.930 55.237 0.693 25123 1266 1 5 . 1 1 49 49 GLN CB C 49 30.277 30.277 28.537 1.740 25123 1267 1 5 . 1 1 50 50 LEU N N 50 123.942 123.942 127.296 -3.354 25123 1268 1 5 . 1 1 50 50 LEU C C 50 176.418 176.418 176.713 -0.295 25123 1269 1 5 . 1 1 50 50 LEU CA C 50 54.097 54.097 55.036 -0.939 25123 1270 1 5 . 1 1 50 50 LEU CB C 50 41.271 41.271 42.124 -0.853 25123 1271 1 5 . 1 1 51 51 GLU N N 51 123.530 123.530 123.847 -0.317 25123 1272 1 5 . 1 1 51 51 GLU C C 51 177.113 177.113 177.412 -0.299 25123 1273 1 5 . 1 1 51 51 GLU CA C 51 55.885 55.885 56.240 -0.355 25123 1274 1 5 . 1 1 51 51 GLU CB C 51 29.933 29.933 30.656 -0.723 25123 1275 1 5 . 1 1 52 52 ASP N N 52 118.613 118.613 120.010 -1.397 25123 1276 1 5 . 1 1 52 52 ASP C C 52 175.901 175.901 176.053 -0.152 25123 1277 1 5 . 1 1 52 52 ASP CA C 52 57.657 57.657 55.479 2.178 25123 1278 1 5 . 1 1 52 52 ASP CB C 52 39.653 39.653 40.120 -0.467 25123 1279 1 5 . 1 1 53 53 GLY N N 53 100.907 100.907 105.038 -4.131 25123 1280 1 5 . 1 1 53 53 GLY C C 53 174.864 174.864 173.931 0.933 25123 1281 1 5 . 1 1 53 53 GLY CA C 53 45.569 45.569 44.659 0.910 25123 1282 1 5 . 1 1 54 54 ARG N N 54 120.839 120.839 119.508 1.331 25123 1283 1 5 . 1 1 54 54 ARG C C 54 175.028 175.028 176.036 -1.008 25123 1284 1 5 . 1 1 54 54 ARG CA C 54 53.399 53.399 54.462 -1.063 25123 1285 1 5 . 1 1 54 54 ARG CB C 54 32.641 32.641 31.293 1.349 25123 1286 1 5 . 1 1 55 55 THR N N 55 107.625 107.625 116.696 -9.071 25123 1287 1 5 . 1 1 55 55 THR C C 55 176.443 176.443 175.098 1.345 25123 1288 1 5 . 1 1 55 55 THR CA C 55 59.622 59.622 63.438 -3.816 25123 1289 1 5 . 1 1 55 55 THR CB C 55 73.519 73.519 69.584 3.935 25123 1290 1 5 . 1 1 56 56 LEU N N 56 117.418 117.418 127.448 -10.030 25123 1291 1 5 . 1 1 56 56 LEU C C 56 180.338 180.338 178.574 1.764 25123 1292 1 5 . 1 1 56 56 LEU CA C 56 58.330 58.330 57.437 0.893 25123 1293 1 5 . 1 1 56 56 LEU CB C 56 39.711 39.711 42.112 -2.401 25123 1294 1 5 . 1 1 57 57 SER N N 57 112.187 112.187 114.748 -2.561 25123 1295 1 5 . 1 1 57 57 SER C C 57 178.403 178.403 176.534 1.869 25123 1296 1 5 . 1 1 57 57 SER CA C 57 60.751 60.751 61.423 -0.672 25123 1297 1 5 . 1 1 57 57 SER CB C 57 62.656 62.656 62.634 0.022 25123 1298 1 5 . 1 1 58 58 ASP N N 58 125.051 125.051 120.737 4.314 25123 1299 1 5 . 1 1 58 58 ASP C C 58 176.085 176.085 176.858 -0.773 25123 1300 1 5 . 1 1 58 58 ASP CA C 58 57.592 57.592 56.684 0.908 25123 1301 1 5 . 1 1 58 58 ASP CB C 58 38.834 38.834 40.544 -1.710 25123 1302 1 5 . 1 1 59 59 TYR N N 59 113.039 113.039 116.785 -3.746 25123 1303 1 5 . 1 1 59 59 TYR C C 59 175.980 175.980 174.649 1.331 25123 1304 1 5 . 1 1 59 59 TYR CA C 59 57.117 57.117 58.563 -1.446 25123 1305 1 5 . 1 1 59 59 TYR CB C 59 40.451 40.451 38.023 2.428 25123 1306 1 5 . 1 1 60 60 ASN N N 60 117.395 117.395 114.684 2.711 25123 1307 1 5 . 1 1 60 60 ASN C C 60 174.090 174.090 174.772 -0.682 25123 1308 1 5 . 1 1 60 60 ASN CA C 60 53.685 53.685 54.267 -0.582 25123 1309 1 5 . 1 1 60 60 ASN CB C 60 37.668 37.668 36.607 1.061 25123 1310 1 5 . 1 1 61 61 ILE N N 61 118.676 118.676 118.251 0.425 25123 1311 1 5 . 1 1 61 61 ILE C C 61 174.143 174.143 175.940 -1.797 25123 1312 1 5 . 1 1 61 61 ILE CA C 61 62.910 62.910 60.651 2.259 25123 1313 1 5 . 1 1 61 61 ILE CB C 61 36.447 36.447 37.156 -0.709 25123 1314 1 5 . 1 1 62 62 GLN N N 62 125.804 125.804 125.663 0.141 25123 1315 1 5 . 1 1 62 62 GLN C C 62 175.238 175.238 176.797 -1.559 25123 1316 1 5 . 1 1 62 62 GLN CA C 62 53.591 53.591 54.791 -1.200 25123 1317 1 5 . 1 1 62 62 GLN CB C 62 32.176 32.176 30.691 1.485 25123 1318 1 5 . 1 1 63 63 LYS N N 63 119.391 119.391 121.622 -2.231 25123 1319 1 5 . 1 1 63 63 LYS C C 63 176.583 176.583 175.656 0.927 25123 1320 1 5 . 1 1 63 63 LYS CA C 63 58.439 58.439 57.800 0.639 25123 1321 1 5 . 1 1 63 63 LYS CB C 63 32.841 32.841 30.320 2.521 25123 1322 1 5 . 1 1 64 64 GLU N N 64 114.930 114.930 113.918 1.012 25123 1323 1 5 . 1 1 64 64 GLU C C 64 174.910 174.910 175.432 -0.522 25123 1324 1 5 . 1 1 64 64 GLU CA C 64 58.210 58.210 56.592 1.618 25123 1325 1 5 . 1 1 64 64 GLU CB C 64 26.087 26.087 27.018 -0.931 25123 1326 1 5 . 1 1 65 65 SER N N 65 115.678 115.678 113.784 1.894 25123 1327 1 5 . 1 1 65 65 SER C C 65 171.997 171.997 174.945 -2.948 25123 1328 1 5 . 1 1 65 65 SER CA C 65 61.259 61.259 58.808 2.451 25123 1329 1 5 . 1 1 65 65 SER CB C 65 65.081 65.081 64.407 0.674 25123 1330 1 5 . 1 1 66 66 THR N N 66 118.225 118.225 117.354 0.871 25123 1331 1 5 . 1 1 66 66 THR C C 66 172.934 172.934 174.185 -1.251 25123 1332 1 5 . 1 1 66 66 THR CA C 66 62.542 62.542 61.774 0.768 25123 1333 1 5 . 1 1 66 66 THR CB C 66 69.996 69.996 68.984 1.012 25123 1334 1 5 . 1 1 67 67 LEU N N 67 128.926 128.926 130.610 -1.684 25123 1335 1 5 . 1 1 67 67 LEU C C 67 175.489 175.489 176.184 -0.695 25123 1336 1 5 . 1 1 67 67 LEU CA C 67 53.446 53.446 53.694 -0.248 25123 1337 1 5 . 1 1 67 67 LEU CB C 67 44.469 44.469 43.473 0.996 25123 1338 1 5 . 1 1 68 68 HIS N N 68 117.795 117.795 121.432 -3.637 25123 1339 1 5 . 1 1 68 68 HIS C C 68 175.598 175.598 174.171 1.427 25123 1340 1 5 . 1 1 68 68 HIS CA C 68 54.470 54.470 55.280 -0.810 25123 1341 1 5 . 1 1 68 68 HIS CB C 68 30.406 30.406 30.814 -0.408 25123 1342 1 5 . 1 1 69 69 LEU N N 69 125.977 125.977 125.732 0.245 25123 1343 1 5 . 1 1 69 69 LEU C C 69 176.381 176.381 175.229 1.152 25123 1344 1 5 . 1 1 69 69 LEU CA C 69 55.244 55.244 53.589 1.655 25123 1345 1 5 . 1 1 69 69 LEU CB C 69 41.876 41.876 42.757 -0.881 25123 1346 1 5 . 1 1 70 70 VAL N N 70 112.216 112.216 123.218 -11.002 25123 1347 1 5 . 1 1 70 70 VAL C C 70 176.198 176.198 175.229 0.969 25123 1348 1 5 . 1 1 70 70 VAL CA C 70 58.852 58.852 61.292 -2.441 25123 1349 1 5 . 1 1 70 70 VAL CB C 70 36.273 36.273 34.139 2.134 25123 1350 1 5 . 1 1 71 71 LEU N N 71 119.738 119.738 121.574 -1.836 25123 1351 1 6 . 1 1 2 2 GLN N N 2 124.995 124.995 116.883 8.112 25123 1352 1 6 . 1 1 2 2 GLN C C 2 175.129 175.129 175.544 -0.415 25123 1353 1 6 . 1 1 2 2 GLN CA C 2 54.151 54.151 54.752 -0.601 25123 1354 1 6 . 1 1 2 2 GLN CB C 2 31.512 31.512 30.732 0.780 25123 1355 1 6 . 1 1 3 3 ILE N N 3 115.187 115.187 119.340 -4.153 25123 1356 1 6 . 1 1 3 3 ILE C C 3 172.341 172.341 174.182 -1.841 25123 1357 1 6 . 1 1 3 3 ILE CA C 3 58.782 58.782 60.720 -1.938 25123 1358 1 6 . 1 1 3 3 ILE CB C 3 41.724 41.724 41.605 0.119 25123 1359 1 6 . 1 1 4 4 PHE N N 4 119.217 119.217 125.187 -5.970 25123 1360 1 6 . 1 1 4 4 PHE C C 4 175.271 175.271 173.084 2.187 25123 1361 1 6 . 1 1 4 4 PHE CA C 4 54.724 54.724 56.328 -1.604 25123 1362 1 6 . 1 1 4 4 PHE CB C 4 41.420 41.420 42.986 -1.566 25123 1363 1 6 . 1 1 5 5 VAL N N 5 120.981 120.981 124.487 -3.506 25123 1364 1 6 . 1 1 5 5 VAL C C 5 175.475 175.475 173.237 2.238 25123 1365 1 6 . 1 1 5 5 VAL CA C 5 59.985 59.985 60.716 -0.731 25123 1366 1 6 . 1 1 5 5 VAL CB C 5 34.746 34.746 35.608 -0.862 25123 1367 1 6 . 1 1 6 6 LYS N N 6 126.148 126.148 124.980 1.168 25123 1368 1 6 . 1 1 6 6 LYS C C 6 177.162 177.162 175.415 1.747 25123 1369 1 6 . 1 1 6 6 LYS CA C 6 53.411 53.411 54.279 -0.868 25123 1370 1 6 . 1 1 6 6 LYS CB C 6 33.816 33.816 35.925 -2.108 25123 1371 1 6 . 1 1 7 7 THR N N 7 112.835 112.835 113.870 -1.035 25123 1372 1 6 . 1 1 7 7 THR C C 7 177.658 177.658 176.577 1.081 25123 1373 1 6 . 1 1 7 7 THR CA C 7 60.275 60.275 59.869 0.406 25123 1374 1 6 . 1 1 7 7 THR CB C 7 70.196 70.196 70.902 -0.706 25123 1375 1 6 . 1 1 8 8 LEU N N 8 119.266 119.266 121.891 -2.625 25123 1376 1 6 . 1 1 8 8 LEU C C 8 177.371 177.371 177.094 0.277 25123 1377 1 6 . 1 1 8 8 LEU CA C 8 57.281 57.281 57.363 -0.082 25123 1378 1 6 . 1 1 8 8 LEU CB C 8 42.393 42.393 41.587 0.805 25123 1379 1 6 . 1 1 9 9 THR N N 9 102.533 102.533 108.397 -5.864 25123 1380 1 6 . 1 1 9 9 THR C C 9 175.626 175.626 176.284 -0.658 25123 1381 1 6 . 1 1 9 9 THR CA C 9 60.939 60.939 61.373 -0.434 25123 1382 1 6 . 1 1 9 9 THR CB C 9 69.319 69.319 69.151 0.168 25123 1383 1 6 . 1 1 10 10 GLY N N 10 109.378 109.378 111.429 -2.051 25123 1384 1 6 . 1 1 10 10 GLY C C 10 173.399 173.399 174.745 -1.346 25123 1385 1 6 . 1 1 10 10 GLY CA C 10 44.919 44.919 45.637 -0.718 25123 1386 1 6 . 1 1 11 11 LYS N N 11 122.170 122.170 121.811 0.359 25123 1387 1 6 . 1 1 11 11 LYS C C 11 175.345 175.345 175.975 -0.630 25123 1388 1 6 . 1 1 11 11 LYS CA C 11 56.455 56.455 56.521 -0.066 25123 1389 1 6 . 1 1 11 11 LYS CB C 11 32.909 32.909 33.402 -0.493 25123 1390 1 6 . 1 1 12 12 THR N N 12 119.755 119.755 119.326 0.429 25123 1391 1 6 . 1 1 12 12 THR C C 12 174.369 174.369 174.015 0.354 25123 1392 1 6 . 1 1 12 12 THR CA C 12 62.752 62.752 62.293 0.459 25123 1393 1 6 . 1 1 12 12 THR CB C 12 69.600 69.600 69.118 0.482 25123 1394 1 6 . 1 1 13 13 ILE N N 13 128.577 128.577 129.493 -0.916 25123 1395 1 6 . 1 1 13 13 ILE C C 13 175.206 175.206 173.753 1.453 25123 1396 1 6 . 1 1 13 13 ILE CA C 13 59.786 59.786 60.333 -0.547 25123 1397 1 6 . 1 1 13 13 ILE CB C 13 40.425 40.425 40.274 0.151 25123 1398 1 6 . 1 1 14 14 THR N N 14 124.443 124.443 120.976 3.467 25123 1399 1 6 . 1 1 14 14 THR C C 14 174.021 174.021 174.047 -0.026 25123 1400 1 6 . 1 1 14 14 THR CA C 14 62.575 62.575 60.396 2.179 25123 1401 1 6 . 1 1 14 14 THR CB C 14 69.456 69.456 70.701 -1.246 25123 1402 1 6 . 1 1 15 15 LEU N N 15 125.201 125.201 123.529 1.672 25123 1403 1 6 . 1 1 15 15 LEU C C 15 174.061 174.061 176.228 -2.167 25123 1404 1 6 . 1 1 15 15 LEU CA C 15 52.527 52.527 53.412 -0.885 25123 1405 1 6 . 1 1 15 15 LEU CB C 15 46.336 46.336 43.681 2.655 25123 1406 1 6 . 1 1 16 16 GLU N N 16 123.386 123.386 122.011 1.375 25123 1407 1 6 . 1 1 16 16 GLU C C 16 175.078 175.078 174.914 0.164 25123 1408 1 6 . 1 1 16 16 GLU CA C 16 54.227 54.227 56.042 -1.815 25123 1409 1 6 . 1 1 16 16 GLU CB C 16 30.420 30.420 30.125 0.295 25123 1410 1 6 . 1 1 17 17 VAL N N 17 118.752 118.752 122.083 -3.331 25123 1411 1 6 . 1 1 17 17 VAL C C 17 175.053 175.053 173.527 1.526 25123 1412 1 6 . 1 1 17 17 VAL CA C 17 58.614 58.614 59.924 -1.310 25123 1413 1 6 . 1 1 17 17 VAL CB C 17 36.538 36.538 33.958 2.580 25123 1414 1 6 . 1 1 18 18 GLU N N 18 119.002 119.002 120.619 -1.617 25123 1415 1 6 . 1 1 18 18 GLU C C 18 175.268 175.268 175.019 0.249 25123 1416 1 6 . 1 1 18 18 GLU CA C 18 54.699 54.699 53.061 1.638 25123 1417 1 6 . 1 1 18 18 GLU CB C 18 29.855 29.855 29.245 0.610 25123 1418 1 6 . 1 1 19 19 PRO C C 19 177.480 177.480 177.031 0.449 25123 1419 1 6 . 1 1 19 19 PRO CA C 19 65.786 65.786 64.878 0.908 25123 1420 1 6 . 1 1 19 19 PRO CB C 19 32.203 32.203 31.866 0.338 25123 1421 1 6 . 1 1 20 20 SER N N 20 108.760 108.760 111.388 -2.628 25123 1422 1 6 . 1 1 20 20 SER C C 20 173.331 173.331 174.354 -1.023 25123 1423 1 6 . 1 1 20 20 SER CA C 20 57.116 57.116 59.298 -2.182 25123 1424 1 6 . 1 1 20 20 SER CB C 20 61.298 61.298 63.399 -2.101 25123 1425 1 6 . 1 1 21 21 ASP N N 21 122.289 122.289 120.055 2.234 25123 1426 1 6 . 1 1 21 21 ASP C C 21 176.559 176.559 175.171 1.388 25123 1427 1 6 . 1 1 21 21 ASP CA C 21 56.652 56.652 55.494 1.158 25123 1428 1 6 . 1 1 21 21 ASP CB C 21 38.542 38.542 39.489 -0.947 25123 1429 1 6 . 1 1 22 22 THR N N 22 106.584 106.584 110.395 -3.811 25123 1430 1 6 . 1 1 22 22 THR C C 22 176.291 176.291 176.547 -0.256 25123 1431 1 6 . 1 1 22 22 THR CA C 22 59.648 59.648 60.486 -0.838 25123 1432 1 6 . 1 1 22 22 THR CB C 22 70.782 70.782 71.027 -0.245 25123 1433 1 6 . 1 1 23 23 ILE N N 23 121.744 121.744 126.752 -5.008 25123 1434 1 6 . 1 1 23 23 ILE C C 23 179.237 179.237 177.853 1.384 25123 1435 1 6 . 1 1 23 23 ILE CA C 23 61.844 61.844 65.673 -3.829 25123 1436 1 6 . 1 1 23 23 ILE CB C 23 33.283 33.283 37.174 -3.891 25123 1437 1 6 . 1 1 24 24 GLU N N 24 123.433 123.433 119.309 4.124 25123 1438 1 6 . 1 1 24 24 GLU C C 24 178.873 178.873 178.518 0.355 25123 1439 1 6 . 1 1 24 24 GLU CA C 24 58.974 58.974 59.607 -0.633 25123 1440 1 6 . 1 1 24 24 GLU CB C 24 30.615 30.615 29.091 1.524 25123 1441 1 6 . 1 1 25 25 ASN N N 25 121.016 121.016 117.674 3.342 25123 1442 1 6 . 1 1 25 25 ASN C C 25 180.408 180.408 177.975 2.433 25123 1443 1 6 . 1 1 25 25 ASN CA C 25 55.296 55.296 55.929 -0.633 25123 1444 1 6 . 1 1 25 25 ASN CB C 25 36.619 36.619 39.215 -2.596 25123 1445 1 6 . 1 1 26 26 VAL N N 26 124.407 124.407 121.053 3.354 25123 1446 1 6 . 1 1 26 26 VAL C C 26 177.380 177.380 177.667 -0.287 25123 1447 1 6 . 1 1 26 26 VAL CA C 26 67.722 67.722 66.314 1.408 25123 1448 1 6 . 1 1 26 26 VAL CB C 26 30.996 30.996 31.677 -0.680 25123 1449 1 6 . 1 1 27 27 LYS N N 27 119.991 119.991 120.398 -0.407 25123 1450 1 6 . 1 1 27 27 LYS C C 27 180.822 180.822 178.487 2.335 25123 1451 1 6 . 1 1 27 27 LYS CA C 27 58.952 58.952 59.640 -0.688 25123 1452 1 6 . 1 1 27 27 LYS CB C 27 34.687 34.687 31.566 3.121 25123 1453 1 6 . 1 1 28 28 ALA N N 28 122.173 122.173 119.152 3.021 25123 1454 1 6 . 1 1 28 28 ALA C C 28 179.943 179.943 179.490 0.453 25123 1455 1 6 . 1 1 28 28 ALA CA C 28 54.994 54.994 54.940 0.055 25123 1456 1 6 . 1 1 28 28 ALA CB C 28 18.446 18.446 18.134 0.312 25123 1457 1 6 . 1 1 29 29 LYS N N 29 118.608 118.608 119.274 -0.666 25123 1458 1 6 . 1 1 29 29 LYS C C 29 180.778 180.778 178.951 1.827 25123 1459 1 6 . 1 1 29 29 LYS CA C 29 59.260 59.260 59.138 0.122 25123 1460 1 6 . 1 1 29 29 LYS CB C 29 33.897 33.897 32.232 1.665 25123 1461 1 6 . 1 1 30 30 ILE N N 30 122.662 122.662 120.272 2.390 25123 1462 1 6 . 1 1 30 30 ILE C C 30 177.453 177.453 177.992 -0.539 25123 1463 1 6 . 1 1 30 30 ILE CA C 30 66.346 66.346 63.456 2.890 25123 1464 1 6 . 1 1 30 30 ILE CB C 30 36.850 36.850 36.689 0.161 25123 1465 1 6 . 1 1 31 31 GLN N N 31 122.791 122.791 119.923 2.868 25123 1466 1 6 . 1 1 31 31 GLN C C 31 179.163 179.163 178.412 0.751 25123 1467 1 6 . 1 1 31 31 GLN CA C 31 59.483 59.483 58.946 0.537 25123 1468 1 6 . 1 1 31 31 GLN CB C 31 28.051 28.051 28.594 -0.543 25123 1469 1 6 . 1 1 32 32 ASP N N 32 121.376 121.376 120.008 1.368 25123 1470 1 6 . 1 1 32 32 ASP C C 32 177.594 177.594 178.419 -0.825 25123 1471 1 6 . 1 1 32 32 ASP CA C 32 57.854 57.854 56.639 1.215 25123 1472 1 6 . 1 1 32 32 ASP CB C 32 38.739 38.739 40.531 -1.792 25123 1473 1 6 . 1 1 33 33 LYS N N 33 119.963 119.963 118.718 1.245 25123 1474 1 6 . 1 1 33 33 LYS C C 33 178.061 178.061 177.598 0.463 25123 1475 1 6 . 1 1 33 33 LYS CA C 33 59.494 59.494 58.150 1.344 25123 1476 1 6 . 1 1 33 33 LYS CB C 33 34.403 34.403 33.015 1.388 25123 1477 1 6 . 1 1 34 34 GLU N N 34 112.029 112.029 116.528 -4.499 25123 1478 1 6 . 1 1 34 34 GLU C C 34 177.386 177.386 175.030 2.356 25123 1479 1 6 . 1 1 34 34 GLU CA C 34 55.006 55.006 54.894 0.112 25123 1480 1 6 . 1 1 34 34 GLU CB C 34 33.307 33.307 34.102 -0.795 25123 1481 1 6 . 1 1 35 35 GLY N N 35 109.223 109.223 109.540 -0.317 25123 1482 1 6 . 1 1 35 35 GLY C C 35 173.934 173.934 173.910 0.024 25123 1483 1 6 . 1 1 35 35 GLY CA C 35 45.964 45.964 45.468 0.496 25123 1484 1 6 . 1 1 36 36 ILE N N 36 119.661 119.661 119.832 -0.171 25123 1485 1 6 . 1 1 36 36 ILE C C 36 173.453 173.453 173.214 0.239 25123 1486 1 6 . 1 1 36 36 ILE CA C 36 57.734 57.734 57.559 0.176 25123 1487 1 6 . 1 1 36 36 ILE CB C 36 40.420 40.420 40.707 -0.287 25123 1488 1 6 . 1 1 37 37 PRO C C 37 176.699 176.699 175.820 0.879 25123 1489 1 6 . 1 1 37 37 PRO CA C 37 61.756 61.756 61.905 -0.149 25123 1490 1 6 . 1 1 37 37 PRO CB C 37 32.060 32.060 31.089 0.971 25123 1491 1 6 . 1 1 38 38 PRO C C 38 178.414 178.414 178.094 0.320 25123 1492 1 6 . 1 1 38 38 PRO CA C 38 66.435 66.435 65.296 1.139 25123 1493 1 6 . 1 1 38 38 PRO CB C 38 33.006 33.006 31.690 1.316 25123 1494 1 6 . 1 1 39 39 ASP N N 39 114.957 114.957 114.434 0.523 25123 1495 1 6 . 1 1 39 39 ASP C C 39 177.285 177.285 176.403 0.882 25123 1496 1 6 . 1 1 39 39 ASP CA C 39 55.350 55.350 56.126 -0.776 25123 1497 1 6 . 1 1 39 39 ASP CB C 39 38.299 38.299 39.105 -0.806 25123 1498 1 6 . 1 1 40 40 GLN N N 40 117.762 117.762 116.276 1.486 25123 1499 1 6 . 1 1 40 40 GLN C C 40 175.906 175.906 175.298 0.608 25123 1500 1 6 . 1 1 40 40 GLN CA C 40 55.230 55.230 54.644 0.586 25123 1501 1 6 . 1 1 40 40 GLN CB C 40 29.502 29.502 29.301 0.201 25123 1502 1 6 . 1 1 41 41 GLN N N 41 120.681 120.681 120.181 0.500 25123 1503 1 6 . 1 1 41 41 GLN C C 41 174.686 174.686 174.144 0.542 25123 1504 1 6 . 1 1 41 41 GLN CA C 41 55.891 55.891 55.006 0.885 25123 1505 1 6 . 1 1 41 41 GLN CB C 41 30.670 30.670 30.580 0.090 25123 1506 1 6 . 1 1 42 42 ARG N N 42 125.708 125.708 124.263 1.445 25123 1507 1 6 . 1 1 42 42 ARG C C 42 173.531 173.531 174.931 -1.400 25123 1508 1 6 . 1 1 42 42 ARG CA C 42 55.148 55.148 55.041 0.107 25123 1509 1 6 . 1 1 42 42 ARG CB C 42 30.753 30.753 32.981 -2.228 25123 1510 1 6 . 1 1 43 43 LEU N N 43 126.959 126.959 120.620 6.339 25123 1511 1 6 . 1 1 43 43 LEU C C 43 175.631 175.631 175.809 -0.178 25123 1512 1 6 . 1 1 43 43 LEU CA C 43 53.257 53.257 53.155 0.102 25123 1513 1 6 . 1 1 43 43 LEU CB C 43 47.381 47.381 44.965 2.416 25123 1514 1 6 . 1 1 44 44 ILE N N 44 119.272 119.272 115.609 3.663 25123 1515 1 6 . 1 1 44 44 ILE C C 44 176.098 176.098 173.288 2.810 25123 1516 1 6 . 1 1 44 44 ILE CA C 44 58.211 58.211 59.585 -1.374 25123 1517 1 6 . 1 1 44 44 ILE CB C 44 41.466 41.466 42.003 -0.537 25123 1518 1 6 . 1 1 45 45 PHE N N 45 123.683 123.683 126.333 -2.650 25123 1519 1 6 . 1 1 45 45 PHE C C 45 173.634 173.634 174.494 -0.860 25123 1520 1 6 . 1 1 45 45 PHE CA C 45 56.424 56.424 56.091 0.333 25123 1521 1 6 . 1 1 45 45 PHE CB C 45 44.327 44.327 42.613 1.714 25123 1522 1 6 . 1 1 46 46 ALA N N 46 135.683 135.683 130.216 5.467 25123 1523 1 6 . 1 1 46 46 ALA C C 46 177.303 177.303 177.594 -0.291 25123 1524 1 6 . 1 1 46 46 ALA CA C 46 52.154 52.154 52.553 -0.399 25123 1525 1 6 . 1 1 46 46 ALA CB C 46 16.523 16.523 16.087 0.436 25123 1526 1 6 . 1 1 47 47 GLY N N 47 103.653 103.653 103.620 0.033 25123 1527 1 6 . 1 1 47 47 GLY C C 47 173.479 173.479 174.968 -1.489 25123 1528 1 6 . 1 1 47 47 GLY CA C 47 45.566 45.566 45.465 0.102 25123 1529 1 6 . 1 1 48 48 LYS N N 48 122.542 122.542 122.550 -0.008 25123 1530 1 6 . 1 1 48 48 LYS C C 48 174.995 174.995 175.839 -0.844 25123 1531 1 6 . 1 1 48 48 LYS CA C 48 55.336 55.336 56.162 -0.826 25123 1532 1 6 . 1 1 48 48 LYS CB C 48 31.402 31.402 33.340 -1.938 25123 1533 1 6 . 1 1 49 49 GLN N N 49 123.910 123.910 122.249 1.661 25123 1534 1 6 . 1 1 49 49 GLN C C 49 175.717 175.717 175.676 0.041 25123 1535 1 6 . 1 1 49 49 GLN CA C 49 55.930 55.930 55.507 0.423 25123 1536 1 6 . 1 1 49 49 GLN CB C 49 30.277 30.277 29.504 0.773 25123 1537 1 6 . 1 1 50 50 LEU N N 50 123.942 123.942 128.806 -4.864 25123 1538 1 6 . 1 1 50 50 LEU C C 50 176.418 176.418 176.446 -0.028 25123 1539 1 6 . 1 1 50 50 LEU CA C 50 54.097 54.097 54.795 -0.698 25123 1540 1 6 . 1 1 50 50 LEU CB C 50 41.271 41.271 40.787 0.484 25123 1541 1 6 . 1 1 51 51 GLU N N 51 123.530 123.530 125.338 -1.808 25123 1542 1 6 . 1 1 51 51 GLU C C 51 177.113 177.113 177.537 -0.424 25123 1543 1 6 . 1 1 51 51 GLU CA C 51 55.885 55.885 56.653 -0.768 25123 1544 1 6 . 1 1 51 51 GLU CB C 51 29.933 29.933 30.220 -0.287 25123 1545 1 6 . 1 1 52 52 ASP N N 52 118.613 118.613 119.891 -1.278 25123 1546 1 6 . 1 1 52 52 ASP C C 52 175.901 175.901 176.012 -0.111 25123 1547 1 6 . 1 1 52 52 ASP CA C 52 57.657 57.657 55.155 2.502 25123 1548 1 6 . 1 1 52 52 ASP CB C 52 39.653 39.653 39.843 -0.190 25123 1549 1 6 . 1 1 53 53 GLY N N 53 100.907 100.907 104.818 -3.911 25123 1550 1 6 . 1 1 53 53 GLY C C 53 174.864 174.864 174.107 0.757 25123 1551 1 6 . 1 1 53 53 GLY CA C 53 45.569 45.569 44.595 0.974 25123 1552 1 6 . 1 1 54 54 ARG N N 54 120.839 120.839 119.543 1.296 25123 1553 1 6 . 1 1 54 54 ARG C C 54 175.028 175.028 176.032 -1.004 25123 1554 1 6 . 1 1 54 54 ARG CA C 54 53.399 53.399 55.331 -1.933 25123 1555 1 6 . 1 1 54 54 ARG CB C 54 32.641 32.641 31.146 1.495 25123 1556 1 6 . 1 1 55 55 THR N N 55 107.625 107.625 116.072 -8.447 25123 1557 1 6 . 1 1 55 55 THR C C 55 176.443 176.443 175.323 1.120 25123 1558 1 6 . 1 1 55 55 THR CA C 55 59.622 59.622 63.730 -4.108 25123 1559 1 6 . 1 1 55 55 THR CB C 55 73.519 73.519 69.403 4.116 25123 1560 1 6 . 1 1 56 56 LEU N N 56 117.418 117.418 128.239 -10.821 25123 1561 1 6 . 1 1 56 56 LEU C C 56 180.338 180.338 178.200 2.138 25123 1562 1 6 . 1 1 56 56 LEU CA C 56 58.330 58.330 56.725 1.605 25123 1563 1 6 . 1 1 56 56 LEU CB C 56 39.711 39.711 42.010 -2.299 25123 1564 1 6 . 1 1 57 57 SER N N 57 112.187 112.187 114.619 -2.432 25123 1565 1 6 . 1 1 57 57 SER C C 57 178.403 178.403 176.675 1.728 25123 1566 1 6 . 1 1 57 57 SER CA C 57 60.751 60.751 61.589 -0.838 25123 1567 1 6 . 1 1 57 57 SER CB C 57 62.656 62.656 62.847 -0.191 25123 1568 1 6 . 1 1 58 58 ASP N N 58 125.051 125.051 120.189 4.862 25123 1569 1 6 . 1 1 58 58 ASP C C 58 176.085 176.085 176.827 -0.742 25123 1570 1 6 . 1 1 58 58 ASP CA C 58 57.592 57.592 55.653 1.939 25123 1571 1 6 . 1 1 58 58 ASP CB C 58 38.834 38.834 40.610 -1.776 25123 1572 1 6 . 1 1 59 59 TYR N N 59 113.039 113.039 117.020 -3.981 25123 1573 1 6 . 1 1 59 59 TYR C C 59 175.980 175.980 174.839 1.141 25123 1574 1 6 . 1 1 59 59 TYR CA C 59 57.117 57.117 59.384 -2.267 25123 1575 1 6 . 1 1 59 59 TYR CB C 59 40.451 40.451 38.535 1.916 25123 1576 1 6 . 1 1 60 60 ASN N N 60 117.395 117.395 114.230 3.165 25123 1577 1 6 . 1 1 60 60 ASN C C 60 174.090 174.090 174.983 -0.893 25123 1578 1 6 . 1 1 60 60 ASN CA C 60 53.685 53.685 54.063 -0.378 25123 1579 1 6 . 1 1 60 60 ASN CB C 60 37.668 37.668 36.132 1.536 25123 1580 1 6 . 1 1 61 61 ILE N N 61 118.676 118.676 119.058 -0.382 25123 1581 1 6 . 1 1 61 61 ILE C C 61 174.143 174.143 176.663 -2.520 25123 1582 1 6 . 1 1 61 61 ILE CA C 61 62.910 62.910 61.144 1.766 25123 1583 1 6 . 1 1 61 61 ILE CB C 61 36.447 36.447 36.338 0.109 25123 1584 1 6 . 1 1 62 62 GLN N N 62 125.804 125.804 126.964 -1.160 25123 1585 1 6 . 1 1 62 62 GLN C C 62 175.238 175.238 176.191 -0.953 25123 1586 1 6 . 1 1 62 62 GLN CA C 62 53.591 53.591 54.068 -0.477 25123 1587 1 6 . 1 1 62 62 GLN CB C 62 32.176 32.176 30.079 2.097 25123 1588 1 6 . 1 1 63 63 LYS N N 63 119.391 119.391 122.096 -2.705 25123 1589 1 6 . 1 1 63 63 LYS C C 63 176.583 176.583 175.420 1.163 25123 1590 1 6 . 1 1 63 63 LYS CA C 63 58.439 58.439 57.605 0.834 25123 1591 1 6 . 1 1 63 63 LYS CB C 63 32.841 32.841 30.849 1.992 25123 1592 1 6 . 1 1 64 64 GLU N N 64 114.930 114.930 115.479 -0.549 25123 1593 1 6 . 1 1 64 64 GLU C C 64 174.910 174.910 175.175 -0.265 25123 1594 1 6 . 1 1 64 64 GLU CA C 64 58.210 58.210 56.649 1.561 25123 1595 1 6 . 1 1 64 64 GLU CB C 64 26.087 26.087 27.158 -1.071 25123 1596 1 6 . 1 1 65 65 SER N N 65 115.678 115.678 114.549 1.129 25123 1597 1 6 . 1 1 65 65 SER C C 65 171.997 171.997 174.788 -2.791 25123 1598 1 6 . 1 1 65 65 SER CA C 65 61.259 61.259 59.391 1.868 25123 1599 1 6 . 1 1 65 65 SER CB C 65 65.081 65.081 64.450 0.631 25123 1600 1 6 . 1 1 66 66 THR N N 66 118.225 118.225 118.144 0.081 25123 1601 1 6 . 1 1 66 66 THR C C 66 172.934 172.934 174.623 -1.689 25123 1602 1 6 . 1 1 66 66 THR CA C 66 62.542 62.542 63.547 -1.005 25123 1603 1 6 . 1 1 66 66 THR CB C 66 69.996 69.996 69.833 0.163 25123 1604 1 6 . 1 1 67 67 LEU N N 67 128.926 128.926 128.575 0.351 25123 1605 1 6 . 1 1 67 67 LEU C C 67 175.489 175.489 176.318 -0.829 25123 1606 1 6 . 1 1 67 67 LEU CA C 67 53.446 53.446 53.693 -0.247 25123 1607 1 6 . 1 1 67 67 LEU CB C 67 44.469 44.469 43.462 1.007 25123 1608 1 6 . 1 1 68 68 HIS N N 68 117.795 117.795 121.024 -3.229 25123 1609 1 6 . 1 1 68 68 HIS C C 68 175.598 175.598 174.714 0.884 25123 1610 1 6 . 1 1 68 68 HIS CA C 68 54.470 54.470 54.766 -0.296 25123 1611 1 6 . 1 1 68 68 HIS CB C 68 30.406 30.406 30.454 -0.048 25123 1612 1 6 . 1 1 69 69 LEU N N 69 125.977 125.977 124.558 1.419 25123 1613 1 6 . 1 1 69 69 LEU C C 69 176.381 176.381 176.708 -0.327 25123 1614 1 6 . 1 1 69 69 LEU CA C 69 55.244 55.244 54.018 1.226 25123 1615 1 6 . 1 1 69 69 LEU CB C 69 41.876 41.876 43.193 -1.317 25123 1616 1 6 . 1 1 70 70 VAL N N 70 112.216 112.216 123.085 -10.869 25123 1617 1 6 . 1 1 70 70 VAL C C 70 176.198 176.198 174.702 1.496 25123 1618 1 6 . 1 1 70 70 VAL CA C 70 58.852 58.852 61.221 -2.369 25123 1619 1 6 . 1 1 70 70 VAL CB C 70 36.273 36.273 33.494 2.779 25123 1620 1 6 . 1 1 71 71 LEU N N 71 119.738 119.738 124.150 -4.412 25123 1621 1 7 . 1 1 2 2 GLN N N 2 124.995 124.995 118.715 6.280 25123 1622 1 7 . 1 1 2 2 GLN C C 2 175.129 175.129 175.427 -0.298 25123 1623 1 7 . 1 1 2 2 GLN CA C 2 54.151 54.151 55.377 -1.226 25123 1624 1 7 . 1 1 2 2 GLN CB C 2 31.512 31.512 30.204 1.308 25123 1625 1 7 . 1 1 3 3 ILE N N 3 115.187 115.187 118.492 -3.305 25123 1626 1 7 . 1 1 3 3 ILE C C 3 172.341 172.341 174.172 -1.831 25123 1627 1 7 . 1 1 3 3 ILE CA C 3 58.782 58.782 60.044 -1.262 25123 1628 1 7 . 1 1 3 3 ILE CB C 3 41.724 41.724 41.938 -0.214 25123 1629 1 7 . 1 1 4 4 PHE N N 4 119.217 119.217 125.584 -6.367 25123 1630 1 7 . 1 1 4 4 PHE C C 4 175.271 175.271 172.811 2.460 25123 1631 1 7 . 1 1 4 4 PHE CA C 4 54.724 54.724 55.407 -0.683 25123 1632 1 7 . 1 1 4 4 PHE CB C 4 41.420 41.420 42.644 -1.224 25123 1633 1 7 . 1 1 5 5 VAL N N 5 120.981 120.981 125.609 -4.628 25123 1634 1 7 . 1 1 5 5 VAL C C 5 175.475 175.475 173.442 2.033 25123 1635 1 7 . 1 1 5 5 VAL CA C 5 59.985 59.985 60.929 -0.944 25123 1636 1 7 . 1 1 5 5 VAL CB C 5 34.746 34.746 35.901 -1.155 25123 1637 1 7 . 1 1 6 6 LYS N N 6 126.148 126.148 125.688 0.460 25123 1638 1 7 . 1 1 6 6 LYS C C 6 177.162 177.162 175.928 1.234 25123 1639 1 7 . 1 1 6 6 LYS CA C 6 53.411 53.411 54.604 -1.193 25123 1640 1 7 . 1 1 6 6 LYS CB C 6 33.816 33.816 35.212 -1.396 25123 1641 1 7 . 1 1 7 7 THR N N 7 112.835 112.835 117.208 -4.373 25123 1642 1 7 . 1 1 7 7 THR C C 7 177.658 177.658 176.723 0.935 25123 1643 1 7 . 1 1 7 7 THR CA C 7 60.275 60.275 60.846 -0.570 25123 1644 1 7 . 1 1 7 7 THR CB C 7 70.196 70.196 70.068 0.128 25123 1645 1 7 . 1 1 8 8 LEU N N 8 119.266 119.266 121.312 -2.046 25123 1646 1 7 . 1 1 8 8 LEU C C 8 177.371 177.371 177.672 -0.301 25123 1647 1 7 . 1 1 8 8 LEU CA C 8 57.281 57.281 56.676 0.605 25123 1648 1 7 . 1 1 8 8 LEU CB C 8 42.393 42.393 41.411 0.982 25123 1649 1 7 . 1 1 9 9 THR N N 9 102.533 102.533 108.857 -6.324 25123 1650 1 7 . 1 1 9 9 THR C C 9 175.626 175.626 175.962 -0.336 25123 1651 1 7 . 1 1 9 9 THR CA C 9 60.939 60.939 61.844 -0.905 25123 1652 1 7 . 1 1 9 9 THR CB C 9 69.319 69.319 69.798 -0.479 25123 1653 1 7 . 1 1 10 10 GLY N N 10 109.378 109.378 111.055 -1.677 25123 1654 1 7 . 1 1 10 10 GLY C C 10 173.399 173.399 174.718 -1.319 25123 1655 1 7 . 1 1 10 10 GLY CA C 10 44.919 44.919 45.418 -0.499 25123 1656 1 7 . 1 1 11 11 LYS N N 11 122.170 122.170 121.960 0.210 25123 1657 1 7 . 1 1 11 11 LYS C C 11 175.345 175.345 176.223 -0.878 25123 1658 1 7 . 1 1 11 11 LYS CA C 11 56.455 56.455 56.883 -0.428 25123 1659 1 7 . 1 1 11 11 LYS CB C 11 32.909 32.909 33.089 -0.180 25123 1660 1 7 . 1 1 12 12 THR N N 12 119.755 119.755 119.448 0.307 25123 1661 1 7 . 1 1 12 12 THR C C 12 174.369 174.369 174.251 0.118 25123 1662 1 7 . 1 1 12 12 THR CA C 12 62.752 62.752 62.437 0.315 25123 1663 1 7 . 1 1 12 12 THR CB C 12 69.600 69.600 68.804 0.796 25123 1664 1 7 . 1 1 13 13 ILE N N 13 128.577 128.577 128.547 0.030 25123 1665 1 7 . 1 1 13 13 ILE C C 13 175.206 175.206 173.964 1.242 25123 1666 1 7 . 1 1 13 13 ILE CA C 13 59.786 59.786 60.084 -0.298 25123 1667 1 7 . 1 1 13 13 ILE CB C 13 40.425 40.425 40.369 0.056 25123 1668 1 7 . 1 1 14 14 THR N N 14 124.443 124.443 121.691 2.752 25123 1669 1 7 . 1 1 14 14 THR C C 14 174.021 174.021 173.738 0.283 25123 1670 1 7 . 1 1 14 14 THR CA C 14 62.575 62.575 60.041 2.534 25123 1671 1 7 . 1 1 14 14 THR CB C 14 69.456 69.456 70.591 -1.135 25123 1672 1 7 . 1 1 15 15 LEU N N 15 125.201 125.201 122.233 2.968 25123 1673 1 7 . 1 1 15 15 LEU C C 15 174.061 174.061 175.869 -1.808 25123 1674 1 7 . 1 1 15 15 LEU CA C 15 52.527 52.527 53.470 -0.943 25123 1675 1 7 . 1 1 15 15 LEU CB C 15 46.336 46.336 43.843 2.493 25123 1676 1 7 . 1 1 16 16 GLU N N 16 123.386 123.386 122.480 0.906 25123 1677 1 7 . 1 1 16 16 GLU C C 16 175.078 175.078 174.702 0.376 25123 1678 1 7 . 1 1 16 16 GLU CA C 16 54.227 54.227 55.733 -1.506 25123 1679 1 7 . 1 1 16 16 GLU CB C 16 30.420 30.420 30.105 0.315 25123 1680 1 7 . 1 1 17 17 VAL N N 17 118.752 118.752 122.971 -4.219 25123 1681 1 7 . 1 1 17 17 VAL C C 17 175.053 175.053 173.586 1.467 25123 1682 1 7 . 1 1 17 17 VAL CA C 17 58.614 58.614 59.626 -1.012 25123 1683 1 7 . 1 1 17 17 VAL CB C 17 36.538 36.538 34.222 2.316 25123 1684 1 7 . 1 1 18 18 GLU N N 18 119.002 119.002 120.538 -1.536 25123 1685 1 7 . 1 1 18 18 GLU C C 18 175.268 175.268 175.285 -0.017 25123 1686 1 7 . 1 1 18 18 GLU CA C 18 54.699 54.699 53.273 1.426 25123 1687 1 7 . 1 1 18 18 GLU CB C 18 29.855 29.855 28.816 1.039 25123 1688 1 7 . 1 1 19 19 PRO C C 19 177.480 177.480 176.977 0.503 25123 1689 1 7 . 1 1 19 19 PRO CA C 19 65.786 65.786 64.268 1.518 25123 1690 1 7 . 1 1 19 19 PRO CB C 19 32.203 32.203 31.628 0.575 25123 1691 1 7 . 1 1 20 20 SER N N 20 108.760 108.760 112.435 -3.675 25123 1692 1 7 . 1 1 20 20 SER C C 20 173.331 173.331 174.253 -0.922 25123 1693 1 7 . 1 1 20 20 SER CA C 20 57.116 57.116 58.738 -1.622 25123 1694 1 7 . 1 1 20 20 SER CB C 20 61.298 61.298 63.239 -1.941 25123 1695 1 7 . 1 1 21 21 ASP N N 21 122.289 122.289 119.119 3.170 25123 1696 1 7 . 1 1 21 21 ASP C C 21 176.559 176.559 175.194 1.365 25123 1697 1 7 . 1 1 21 21 ASP CA C 21 56.652 56.652 55.462 1.190 25123 1698 1 7 . 1 1 21 21 ASP CB C 21 38.542 38.542 39.198 -0.656 25123 1699 1 7 . 1 1 22 22 THR N N 22 106.584 106.584 108.740 -2.156 25123 1700 1 7 . 1 1 22 22 THR C C 22 176.291 176.291 176.496 -0.205 25123 1701 1 7 . 1 1 22 22 THR CA C 22 59.648 59.648 60.251 -0.603 25123 1702 1 7 . 1 1 22 22 THR CB C 22 70.782 70.782 71.103 -0.321 25123 1703 1 7 . 1 1 23 23 ILE N N 23 121.744 121.744 126.581 -4.837 25123 1704 1 7 . 1 1 23 23 ILE C C 23 179.237 179.237 178.134 1.103 25123 1705 1 7 . 1 1 23 23 ILE CA C 23 61.844 61.844 64.440 -2.596 25123 1706 1 7 . 1 1 23 23 ILE CB C 23 33.283 33.283 36.258 -2.975 25123 1707 1 7 . 1 1 24 24 GLU N N 24 123.433 123.433 119.717 3.716 25123 1708 1 7 . 1 1 24 24 GLU C C 24 178.873 178.873 178.907 -0.034 25123 1709 1 7 . 1 1 24 24 GLU CA C 24 58.974 58.974 59.936 -0.962 25123 1710 1 7 . 1 1 24 24 GLU CB C 24 30.615 30.615 29.131 1.484 25123 1711 1 7 . 1 1 25 25 ASN N N 25 121.016 121.016 117.679 3.337 25123 1712 1 7 . 1 1 25 25 ASN C C 25 180.408 180.408 177.977 2.431 25123 1713 1 7 . 1 1 25 25 ASN CA C 25 55.296 55.296 56.105 -0.808 25123 1714 1 7 . 1 1 25 25 ASN CB C 25 36.619 36.619 39.066 -2.447 25123 1715 1 7 . 1 1 26 26 VAL N N 26 124.407 124.407 120.783 3.624 25123 1716 1 7 . 1 1 26 26 VAL C C 26 177.380 177.380 177.703 -0.323 25123 1717 1 7 . 1 1 26 26 VAL CA C 26 67.722 67.722 66.447 1.275 25123 1718 1 7 . 1 1 26 26 VAL CB C 26 30.996 30.996 31.713 -0.717 25123 1719 1 7 . 1 1 27 27 LYS N N 27 119.991 119.991 119.595 0.396 25123 1720 1 7 . 1 1 27 27 LYS C C 27 180.822 180.822 178.586 2.236 25123 1721 1 7 . 1 1 27 27 LYS CA C 27 58.952 58.952 59.440 -0.488 25123 1722 1 7 . 1 1 27 27 LYS CB C 27 34.687 34.687 31.793 2.894 25123 1723 1 7 . 1 1 28 28 ALA N N 28 122.173 122.173 120.647 1.526 25123 1724 1 7 . 1 1 28 28 ALA C C 28 179.943 179.943 179.382 0.561 25123 1725 1 7 . 1 1 28 28 ALA CA C 28 54.994 54.994 55.107 -0.113 25123 1726 1 7 . 1 1 28 28 ALA CB C 28 18.446 18.446 18.320 0.126 25123 1727 1 7 . 1 1 29 29 LYS N N 29 118.608 118.608 118.975 -0.367 25123 1728 1 7 . 1 1 29 29 LYS C C 29 180.778 180.778 178.944 1.834 25123 1729 1 7 . 1 1 29 29 LYS CA C 29 59.260 59.260 59.473 -0.213 25123 1730 1 7 . 1 1 29 29 LYS CB C 29 33.897 33.897 32.217 1.680 25123 1731 1 7 . 1 1 30 30 ILE N N 30 122.662 122.662 119.423 3.239 25123 1732 1 7 . 1 1 30 30 ILE C C 30 177.453 177.453 177.978 -0.525 25123 1733 1 7 . 1 1 30 30 ILE CA C 30 66.346 66.346 63.403 2.943 25123 1734 1 7 . 1 1 30 30 ILE CB C 30 36.850 36.850 36.870 -0.020 25123 1735 1 7 . 1 1 31 31 GLN N N 31 122.791 122.791 119.945 2.846 25123 1736 1 7 . 1 1 31 31 GLN C C 31 179.163 179.163 178.241 0.922 25123 1737 1 7 . 1 1 31 31 GLN CA C 31 59.483 59.483 58.483 1.000 25123 1738 1 7 . 1 1 31 31 GLN CB C 31 28.051 28.051 28.709 -0.658 25123 1739 1 7 . 1 1 32 32 ASP N N 32 121.376 121.376 119.578 1.798 25123 1740 1 7 . 1 1 32 32 ASP C C 32 177.594 177.594 178.399 -0.805 25123 1741 1 7 . 1 1 32 32 ASP CA C 32 57.854 57.854 56.899 0.955 25123 1742 1 7 . 1 1 32 32 ASP CB C 32 38.739 38.739 40.967 -2.228 25123 1743 1 7 . 1 1 33 33 LYS N N 33 119.963 119.963 118.483 1.480 25123 1744 1 7 . 1 1 33 33 LYS C C 33 178.061 178.061 177.330 0.731 25123 1745 1 7 . 1 1 33 33 LYS CA C 33 59.494 59.494 58.161 1.333 25123 1746 1 7 . 1 1 33 33 LYS CB C 33 34.403 34.403 33.166 1.237 25123 1747 1 7 . 1 1 34 34 GLU N N 34 112.029 112.029 115.915 -3.886 25123 1748 1 7 . 1 1 34 34 GLU C C 34 177.386 177.386 174.994 2.392 25123 1749 1 7 . 1 1 34 34 GLU CA C 34 55.006 55.006 55.082 -0.076 25123 1750 1 7 . 1 1 34 34 GLU CB C 34 33.307 33.307 34.153 -0.846 25123 1751 1 7 . 1 1 35 35 GLY N N 35 109.223 109.223 108.746 0.477 25123 1752 1 7 . 1 1 35 35 GLY C C 35 173.934 173.934 173.444 0.490 25123 1753 1 7 . 1 1 35 35 GLY CA C 35 45.964 45.964 45.455 0.509 25123 1754 1 7 . 1 1 36 36 ILE N N 36 119.661 119.661 124.123 -4.462 25123 1755 1 7 . 1 1 36 36 ILE C C 36 173.453 173.453 173.359 0.094 25123 1756 1 7 . 1 1 36 36 ILE CA C 36 57.734 57.734 57.722 0.012 25123 1757 1 7 . 1 1 36 36 ILE CB C 36 40.420 40.420 41.451 -1.031 25123 1758 1 7 . 1 1 37 37 PRO C C 37 176.699 176.699 175.527 1.172 25123 1759 1 7 . 1 1 37 37 PRO CA C 37 61.756 61.756 61.433 0.323 25123 1760 1 7 . 1 1 37 37 PRO CB C 37 32.060 32.060 31.046 1.014 25123 1761 1 7 . 1 1 38 38 PRO C C 38 178.414 178.414 178.208 0.206 25123 1762 1 7 . 1 1 38 38 PRO CA C 38 66.435 66.435 65.102 1.333 25123 1763 1 7 . 1 1 38 38 PRO CB C 38 33.006 33.006 32.018 0.988 25123 1764 1 7 . 1 1 39 39 ASP N N 39 114.957 114.957 117.533 -2.576 25123 1765 1 7 . 1 1 39 39 ASP C C 39 177.285 177.285 177.495 -0.210 25123 1766 1 7 . 1 1 39 39 ASP CA C 39 55.350 55.350 56.486 -1.136 25123 1767 1 7 . 1 1 39 39 ASP CB C 39 38.299 38.299 39.720 -1.421 25123 1768 1 7 . 1 1 40 40 GLN N N 40 117.762 117.762 115.788 1.974 25123 1769 1 7 . 1 1 40 40 GLN C C 40 175.906 175.906 174.910 0.996 25123 1770 1 7 . 1 1 40 40 GLN CA C 40 55.230 55.230 55.660 -0.430 25123 1771 1 7 . 1 1 40 40 GLN CB C 40 29.502 29.502 29.062 0.440 25123 1772 1 7 . 1 1 41 41 GLN N N 41 120.681 120.681 119.410 1.271 25123 1773 1 7 . 1 1 41 41 GLN C C 41 174.686 174.686 174.923 -0.237 25123 1774 1 7 . 1 1 41 41 GLN CA C 41 55.891 55.891 54.738 1.153 25123 1775 1 7 . 1 1 41 41 GLN CB C 41 30.670 30.670 30.063 0.607 25123 1776 1 7 . 1 1 42 42 ARG N N 42 125.708 125.708 123.541 2.167 25123 1777 1 7 . 1 1 42 42 ARG C C 42 173.531 173.531 174.862 -1.331 25123 1778 1 7 . 1 1 42 42 ARG CA C 42 55.148 55.148 55.259 -0.111 25123 1779 1 7 . 1 1 42 42 ARG CB C 42 30.753 30.753 32.738 -1.985 25123 1780 1 7 . 1 1 43 43 LEU N N 43 126.959 126.959 118.711 8.248 25123 1781 1 7 . 1 1 43 43 LEU C C 43 175.631 175.631 175.349 0.282 25123 1782 1 7 . 1 1 43 43 LEU CA C 43 53.257 53.257 53.145 0.112 25123 1783 1 7 . 1 1 43 43 LEU CB C 43 47.381 47.381 45.489 1.892 25123 1784 1 7 . 1 1 44 44 ILE N N 44 119.272 119.272 119.188 0.084 25123 1785 1 7 . 1 1 44 44 ILE C C 44 176.098 176.098 173.297 2.801 25123 1786 1 7 . 1 1 44 44 ILE CA C 44 58.211 58.211 59.875 -1.664 25123 1787 1 7 . 1 1 44 44 ILE CB C 44 41.466 41.466 41.998 -0.532 25123 1788 1 7 . 1 1 45 45 PHE N N 45 123.683 123.683 128.575 -4.892 25123 1789 1 7 . 1 1 45 45 PHE C C 45 173.634 173.634 174.420 -0.786 25123 1790 1 7 . 1 1 45 45 PHE CA C 45 56.424 56.424 56.423 0.001 25123 1791 1 7 . 1 1 45 45 PHE CB C 45 44.327 44.327 42.953 1.374 25123 1792 1 7 . 1 1 46 46 ALA N N 46 135.683 135.683 128.725 6.958 25123 1793 1 7 . 1 1 46 46 ALA C C 46 177.303 177.303 177.230 0.073 25123 1794 1 7 . 1 1 46 46 ALA CA C 46 52.154 52.154 52.852 -0.698 25123 1795 1 7 . 1 1 46 46 ALA CB C 46 16.523 16.523 16.278 0.245 25123 1796 1 7 . 1 1 47 47 GLY N N 47 103.653 103.653 103.497 0.156 25123 1797 1 7 . 1 1 47 47 GLY C C 47 173.479 173.479 174.882 -1.403 25123 1798 1 7 . 1 1 47 47 GLY CA C 47 45.566 45.566 45.294 0.272 25123 1799 1 7 . 1 1 48 48 LYS N N 48 122.542 122.542 124.655 -2.113 25123 1800 1 7 . 1 1 48 48 LYS C C 48 174.995 174.995 176.278 -1.283 25123 1801 1 7 . 1 1 48 48 LYS CA C 48 55.336 55.336 55.594 -0.258 25123 1802 1 7 . 1 1 48 48 LYS CB C 48 31.402 31.402 32.483 -1.081 25123 1803 1 7 . 1 1 49 49 GLN N N 49 123.910 123.910 124.341 -0.431 25123 1804 1 7 . 1 1 49 49 GLN C C 49 175.717 175.717 175.127 0.590 25123 1805 1 7 . 1 1 49 49 GLN CA C 49 55.930 55.930 55.311 0.619 25123 1806 1 7 . 1 1 49 49 GLN CB C 49 30.277 30.277 28.525 1.752 25123 1807 1 7 . 1 1 50 50 LEU N N 50 123.942 123.942 127.914 -3.972 25123 1808 1 7 . 1 1 50 50 LEU C C 50 176.418 176.418 176.453 -0.035 25123 1809 1 7 . 1 1 50 50 LEU CA C 50 54.097 54.097 54.899 -0.802 25123 1810 1 7 . 1 1 50 50 LEU CB C 50 41.271 41.271 41.004 0.267 25123 1811 1 7 . 1 1 51 51 GLU N N 51 123.530 123.530 125.229 -1.699 25123 1812 1 7 . 1 1 51 51 GLU C C 51 177.113 177.113 177.364 -0.251 25123 1813 1 7 . 1 1 51 51 GLU CA C 51 55.885 55.885 55.599 0.286 25123 1814 1 7 . 1 1 51 51 GLU CB C 51 29.933 29.933 30.416 -0.483 25123 1815 1 7 . 1 1 52 52 ASP N N 52 118.613 118.613 120.056 -1.443 25123 1816 1 7 . 1 1 52 52 ASP C C 52 175.901 175.901 176.077 -0.176 25123 1817 1 7 . 1 1 52 52 ASP CA C 52 57.657 57.657 55.534 2.123 25123 1818 1 7 . 1 1 52 52 ASP CB C 52 39.653 39.653 39.562 0.091 25123 1819 1 7 . 1 1 53 53 GLY N N 53 100.907 100.907 105.866 -4.959 25123 1820 1 7 . 1 1 53 53 GLY C C 53 174.864 174.864 173.424 1.440 25123 1821 1 7 . 1 1 53 53 GLY CA C 53 45.569 45.569 44.453 1.116 25123 1822 1 7 . 1 1 54 54 ARG N N 54 120.839 120.839 120.002 0.837 25123 1823 1 7 . 1 1 54 54 ARG C C 54 175.028 175.028 176.340 -1.312 25123 1824 1 7 . 1 1 54 54 ARG CA C 54 53.399 53.399 55.024 -1.625 25123 1825 1 7 . 1 1 54 54 ARG CB C 54 32.641 32.641 31.344 1.297 25123 1826 1 7 . 1 1 55 55 THR N N 55 107.625 107.625 118.938 -11.313 25123 1827 1 7 . 1 1 55 55 THR C C 55 176.443 176.443 174.787 1.656 25123 1828 1 7 . 1 1 55 55 THR CA C 55 59.622 59.622 63.772 -4.150 25123 1829 1 7 . 1 1 55 55 THR CB C 55 73.519 73.519 69.575 3.944 25123 1830 1 7 . 1 1 56 56 LEU N N 56 117.418 117.418 126.835 -9.417 25123 1831 1 7 . 1 1 56 56 LEU C C 56 180.338 180.338 178.408 1.930 25123 1832 1 7 . 1 1 56 56 LEU CA C 56 58.330 58.330 56.982 1.348 25123 1833 1 7 . 1 1 56 56 LEU CB C 56 39.711 39.711 41.789 -2.079 25123 1834 1 7 . 1 1 57 57 SER N N 57 112.187 112.187 114.932 -2.745 25123 1835 1 7 . 1 1 57 57 SER C C 57 178.403 178.403 176.036 2.367 25123 1836 1 7 . 1 1 57 57 SER CA C 57 60.751 60.751 61.302 -0.551 25123 1837 1 7 . 1 1 57 57 SER CB C 57 62.656 62.656 62.768 -0.112 25123 1838 1 7 . 1 1 58 58 ASP N N 58 125.051 125.051 120.539 4.512 25123 1839 1 7 . 1 1 58 58 ASP C C 58 176.085 176.085 177.174 -1.089 25123 1840 1 7 . 1 1 58 58 ASP CA C 58 57.592 57.592 56.655 0.937 25123 1841 1 7 . 1 1 58 58 ASP CB C 58 38.834 38.834 40.790 -1.956 25123 1842 1 7 . 1 1 59 59 TYR N N 59 113.039 113.039 115.847 -2.808 25123 1843 1 7 . 1 1 59 59 TYR C C 59 175.980 175.980 175.708 0.272 25123 1844 1 7 . 1 1 59 59 TYR CA C 59 57.117 57.117 57.788 -0.671 25123 1845 1 7 . 1 1 59 59 TYR CB C 59 40.451 40.451 37.993 2.458 25123 1846 1 7 . 1 1 60 60 ASN N N 60 117.395 117.395 116.791 0.604 25123 1847 1 7 . 1 1 60 60 ASN C C 60 174.090 174.090 174.672 -0.582 25123 1848 1 7 . 1 1 60 60 ASN CA C 60 53.685 53.685 53.937 -0.252 25123 1849 1 7 . 1 1 60 60 ASN CB C 60 37.668 37.668 37.230 0.438 25123 1850 1 7 . 1 1 61 61 ILE N N 61 118.676 118.676 118.688 -0.012 25123 1851 1 7 . 1 1 61 61 ILE C C 61 174.143 174.143 176.109 -1.966 25123 1852 1 7 . 1 1 61 61 ILE CA C 61 62.910 62.910 61.483 1.427 25123 1853 1 7 . 1 1 61 61 ILE CB C 61 36.447 36.447 36.870 -0.423 25123 1854 1 7 . 1 1 62 62 GLN N N 62 125.804 125.804 126.805 -1.001 25123 1855 1 7 . 1 1 62 62 GLN C C 62 175.238 175.238 176.463 -1.225 25123 1856 1 7 . 1 1 62 62 GLN CA C 62 53.591 53.591 54.275 -0.684 25123 1857 1 7 . 1 1 62 62 GLN CB C 62 32.176 32.176 29.638 2.538 25123 1858 1 7 . 1 1 63 63 LYS N N 63 119.391 119.391 121.122 -1.731 25123 1859 1 7 . 1 1 63 63 LYS C C 63 176.583 176.583 175.361 1.222 25123 1860 1 7 . 1 1 63 63 LYS CA C 63 58.439 58.439 57.696 0.744 25123 1861 1 7 . 1 1 63 63 LYS CB C 63 32.841 32.841 30.519 2.322 25123 1862 1 7 . 1 1 64 64 GLU N N 64 114.930 114.930 113.718 1.212 25123 1863 1 7 . 1 1 64 64 GLU C C 64 174.910 174.910 175.370 -0.460 25123 1864 1 7 . 1 1 64 64 GLU CA C 64 58.210 58.210 56.608 1.602 25123 1865 1 7 . 1 1 64 64 GLU CB C 64 26.087 26.087 27.107 -1.020 25123 1866 1 7 . 1 1 65 65 SER N N 65 115.678 115.678 112.750 2.928 25123 1867 1 7 . 1 1 65 65 SER C C 65 171.997 171.997 174.995 -2.998 25123 1868 1 7 . 1 1 65 65 SER CA C 65 61.259 61.259 59.081 2.178 25123 1869 1 7 . 1 1 65 65 SER CB C 65 65.081 65.081 64.290 0.791 25123 1870 1 7 . 1 1 66 66 THR N N 66 118.225 118.225 117.139 1.086 25123 1871 1 7 . 1 1 66 66 THR C C 66 172.934 172.934 174.737 -1.803 25123 1872 1 7 . 1 1 66 66 THR CA C 66 62.542 62.542 62.031 0.511 25123 1873 1 7 . 1 1 66 66 THR CB C 66 69.996 69.996 69.451 0.545 25123 1874 1 7 . 1 1 67 67 LEU N N 67 128.926 128.926 129.686 -0.760 25123 1875 1 7 . 1 1 67 67 LEU C C 67 175.489 175.489 175.896 -0.407 25123 1876 1 7 . 1 1 67 67 LEU CA C 67 53.446 53.446 53.602 -0.156 25123 1877 1 7 . 1 1 67 67 LEU CB C 67 44.469 44.469 43.113 1.356 25123 1878 1 7 . 1 1 68 68 HIS N N 68 117.795 117.795 123.873 -6.078 25123 1879 1 7 . 1 1 68 68 HIS C C 68 175.598 175.598 173.914 1.684 25123 1880 1 7 . 1 1 68 68 HIS CA C 68 54.470 54.470 55.372 -0.902 25123 1881 1 7 . 1 1 68 68 HIS CB C 68 30.406 30.406 31.735 -1.329 25123 1882 1 7 . 1 1 69 69 LEU N N 69 125.977 125.977 125.966 0.011 25123 1883 1 7 . 1 1 69 69 LEU C C 69 176.381 176.381 175.744 0.637 25123 1884 1 7 . 1 1 69 69 LEU CA C 69 55.244 55.244 53.845 1.399 25123 1885 1 7 . 1 1 69 69 LEU CB C 69 41.876 41.876 43.409 -1.533 25123 1886 1 7 . 1 1 70 70 VAL N N 70 112.216 112.216 116.813 -4.597 25123 1887 1 7 . 1 1 70 70 VAL C C 70 176.198 176.198 175.920 0.278 25123 1888 1 7 . 1 1 70 70 VAL CA C 70 58.852 58.852 60.735 -1.883 25123 1889 1 7 . 1 1 70 70 VAL CB C 70 36.273 36.273 33.309 2.965 25123 1890 1 7 . 1 1 71 71 LEU N N 71 119.738 119.738 122.151 -2.413 25123 1891 1 8 . 1 1 2 2 GLN N N 2 124.995 124.995 121.071 3.924 25123 1892 1 8 . 1 1 2 2 GLN C C 2 175.129 175.129 175.592 -0.463 25123 1893 1 8 . 1 1 2 2 GLN CA C 2 54.151 54.151 55.147 -0.996 25123 1894 1 8 . 1 1 2 2 GLN CB C 2 31.512 31.512 30.403 1.109 25123 1895 1 8 . 1 1 3 3 ILE N N 3 115.187 115.187 118.865 -3.678 25123 1896 1 8 . 1 1 3 3 ILE C C 3 172.341 172.341 174.237 -1.896 25123 1897 1 8 . 1 1 3 3 ILE CA C 3 58.782 58.782 60.234 -1.452 25123 1898 1 8 . 1 1 3 3 ILE CB C 3 41.724 41.724 41.892 -0.168 25123 1899 1 8 . 1 1 4 4 PHE N N 4 119.217 119.217 125.707 -6.490 25123 1900 1 8 . 1 1 4 4 PHE C C 4 175.271 175.271 173.151 2.120 25123 1901 1 8 . 1 1 4 4 PHE CA C 4 54.724 54.724 55.558 -0.834 25123 1902 1 8 . 1 1 4 4 PHE CB C 4 41.420 41.420 42.576 -1.156 25123 1903 1 8 . 1 1 5 5 VAL N N 5 120.981 120.981 125.504 -4.523 25123 1904 1 8 . 1 1 5 5 VAL C C 5 175.475 175.475 173.205 2.270 25123 1905 1 8 . 1 1 5 5 VAL CA C 5 59.985 59.985 60.517 -0.532 25123 1906 1 8 . 1 1 5 5 VAL CB C 5 34.746 34.746 35.682 -0.936 25123 1907 1 8 . 1 1 6 6 LYS N N 6 126.148 126.148 125.467 0.681 25123 1908 1 8 . 1 1 6 6 LYS C C 6 177.162 177.162 175.725 1.437 25123 1909 1 8 . 1 1 6 6 LYS CA C 6 53.411 53.411 55.116 -1.705 25123 1910 1 8 . 1 1 6 6 LYS CB C 6 33.816 33.816 34.681 -0.865 25123 1911 1 8 . 1 1 7 7 THR N N 7 112.835 112.835 115.717 -2.882 25123 1912 1 8 . 1 1 7 7 THR C C 7 177.658 177.658 175.816 1.842 25123 1913 1 8 . 1 1 7 7 THR CA C 7 60.275 60.275 59.466 0.809 25123 1914 1 8 . 1 1 7 7 THR CB C 7 70.196 70.196 70.872 -0.676 25123 1915 1 8 . 1 1 8 8 LEU N N 8 119.266 119.266 121.923 -2.657 25123 1916 1 8 . 1 1 8 8 LEU C C 8 177.371 177.371 177.369 0.002 25123 1917 1 8 . 1 1 8 8 LEU CA C 8 57.281 57.281 56.972 0.309 25123 1918 1 8 . 1 1 8 8 LEU CB C 8 42.393 42.393 40.206 2.187 25123 1919 1 8 . 1 1 9 9 THR N N 9 102.533 102.533 112.047 -9.514 25123 1920 1 8 . 1 1 9 9 THR C C 9 175.626 175.626 175.974 -0.348 25123 1921 1 8 . 1 1 9 9 THR CA C 9 60.939 60.939 62.094 -1.155 25123 1922 1 8 . 1 1 9 9 THR CB C 9 69.319 69.319 69.151 0.168 25123 1923 1 8 . 1 1 10 10 GLY N N 10 109.378 109.378 109.623 -0.245 25123 1924 1 8 . 1 1 10 10 GLY C C 10 173.399 173.399 174.151 -0.752 25123 1925 1 8 . 1 1 10 10 GLY CA C 10 44.919 44.919 45.449 -0.530 25123 1926 1 8 . 1 1 11 11 LYS N N 11 122.170 122.170 120.744 1.426 25123 1927 1 8 . 1 1 11 11 LYS C C 11 175.345 175.345 175.906 -0.561 25123 1928 1 8 . 1 1 11 11 LYS CA C 11 56.455 56.455 55.373 1.081 25123 1929 1 8 . 1 1 11 11 LYS CB C 11 32.909 32.909 33.798 -0.889 25123 1930 1 8 . 1 1 12 12 THR N N 12 119.755 119.755 119.088 0.667 25123 1931 1 8 . 1 1 12 12 THR C C 12 174.369 174.369 174.339 0.030 25123 1932 1 8 . 1 1 12 12 THR CA C 12 62.752 62.752 62.801 -0.049 25123 1933 1 8 . 1 1 12 12 THR CB C 12 69.600 69.600 69.290 0.310 25123 1934 1 8 . 1 1 13 13 ILE N N 13 128.577 128.577 130.947 -2.370 25123 1935 1 8 . 1 1 13 13 ILE C C 13 175.206 175.206 173.933 1.273 25123 1936 1 8 . 1 1 13 13 ILE CA C 13 59.786 59.786 60.252 -0.466 25123 1937 1 8 . 1 1 13 13 ILE CB C 13 40.425 40.425 40.620 -0.195 25123 1938 1 8 . 1 1 14 14 THR N N 14 124.443 124.443 121.571 2.872 25123 1939 1 8 . 1 1 14 14 THR C C 14 174.021 174.021 173.937 0.084 25123 1940 1 8 . 1 1 14 14 THR CA C 14 62.575 62.575 60.362 2.213 25123 1941 1 8 . 1 1 14 14 THR CB C 14 69.456 69.456 70.581 -1.125 25123 1942 1 8 . 1 1 15 15 LEU N N 15 125.201 125.201 124.971 0.230 25123 1943 1 8 . 1 1 15 15 LEU C C 15 174.061 174.061 176.118 -2.057 25123 1944 1 8 . 1 1 15 15 LEU CA C 15 52.527 52.527 53.482 -0.955 25123 1945 1 8 . 1 1 15 15 LEU CB C 15 46.336 46.336 44.398 1.938 25123 1946 1 8 . 1 1 16 16 GLU N N 16 123.386 123.386 121.966 1.420 25123 1947 1 8 . 1 1 16 16 GLU C C 16 175.078 175.078 174.892 0.186 25123 1948 1 8 . 1 1 16 16 GLU CA C 16 54.227 54.227 56.069 -1.842 25123 1949 1 8 . 1 1 16 16 GLU CB C 16 30.420 30.420 29.966 0.454 25123 1950 1 8 . 1 1 17 17 VAL N N 17 118.752 118.752 123.107 -4.355 25123 1951 1 8 . 1 1 17 17 VAL C C 17 175.053 175.053 173.797 1.256 25123 1952 1 8 . 1 1 17 17 VAL CA C 17 58.614 58.614 59.949 -1.335 25123 1953 1 8 . 1 1 17 17 VAL CB C 17 36.538 36.538 35.988 0.550 25123 1954 1 8 . 1 1 18 18 GLU N N 18 119.002 119.002 121.367 -2.365 25123 1955 1 8 . 1 1 18 18 GLU C C 18 175.268 175.268 175.402 -0.134 25123 1956 1 8 . 1 1 18 18 GLU CA C 18 54.699 54.699 53.012 1.687 25123 1957 1 8 . 1 1 18 18 GLU CB C 18 29.855 29.855 28.923 0.932 25123 1958 1 8 . 1 1 19 19 PRO C C 19 177.480 177.480 176.990 0.490 25123 1959 1 8 . 1 1 19 19 PRO CA C 19 65.786 65.786 64.659 1.127 25123 1960 1 8 . 1 1 19 19 PRO CB C 19 32.203 32.203 31.748 0.455 25123 1961 1 8 . 1 1 20 20 SER N N 20 108.760 108.760 112.964 -4.204 25123 1962 1 8 . 1 1 20 20 SER C C 20 173.331 173.331 174.519 -1.188 25123 1963 1 8 . 1 1 20 20 SER CA C 20 57.116 57.116 60.364 -3.248 25123 1964 1 8 . 1 1 20 20 SER CB C 20 61.298 61.298 63.381 -2.083 25123 1965 1 8 . 1 1 21 21 ASP N N 21 122.289 122.289 119.533 2.756 25123 1966 1 8 . 1 1 21 21 ASP C C 21 176.559 176.559 175.139 1.420 25123 1967 1 8 . 1 1 21 21 ASP CA C 21 56.652 56.652 55.532 1.120 25123 1968 1 8 . 1 1 21 21 ASP CB C 21 38.542 38.542 40.120 -1.578 25123 1969 1 8 . 1 1 22 22 THR N N 22 106.584 106.584 110.156 -3.572 25123 1970 1 8 . 1 1 22 22 THR C C 22 176.291 176.291 176.298 -0.007 25123 1971 1 8 . 1 1 22 22 THR CA C 22 59.648 59.648 61.303 -1.655 25123 1972 1 8 . 1 1 22 22 THR CB C 22 70.782 70.782 70.541 0.241 25123 1973 1 8 . 1 1 23 23 ILE N N 23 121.744 121.744 125.016 -3.272 25123 1974 1 8 . 1 1 23 23 ILE C C 23 179.237 179.237 177.668 1.569 25123 1975 1 8 . 1 1 23 23 ILE CA C 23 61.844 61.844 65.186 -3.342 25123 1976 1 8 . 1 1 23 23 ILE CB C 23 33.283 33.283 36.684 -3.401 25123 1977 1 8 . 1 1 24 24 GLU N N 24 123.433 123.433 120.115 3.318 25123 1978 1 8 . 1 1 24 24 GLU C C 24 178.873 178.873 178.720 0.153 25123 1979 1 8 . 1 1 24 24 GLU CA C 24 58.974 58.974 59.584 -0.610 25123 1980 1 8 . 1 1 24 24 GLU CB C 24 30.615 30.615 29.178 1.437 25123 1981 1 8 . 1 1 25 25 ASN N N 25 121.016 121.016 118.304 2.712 25123 1982 1 8 . 1 1 25 25 ASN C C 25 180.408 180.408 178.197 2.211 25123 1983 1 8 . 1 1 25 25 ASN CA C 25 55.296 55.296 55.907 -0.611 25123 1984 1 8 . 1 1 25 25 ASN CB C 25 36.619 36.619 39.046 -2.427 25123 1985 1 8 . 1 1 26 26 VAL N N 26 124.407 124.407 121.057 3.350 25123 1986 1 8 . 1 1 26 26 VAL C C 26 177.380 177.380 177.740 -0.360 25123 1987 1 8 . 1 1 26 26 VAL CA C 26 67.722 67.722 66.442 1.280 25123 1988 1 8 . 1 1 26 26 VAL CB C 26 30.996 30.996 31.834 -0.838 25123 1989 1 8 . 1 1 27 27 LYS N N 27 119.991 119.991 120.028 -0.037 25123 1990 1 8 . 1 1 27 27 LYS C C 27 180.822 180.822 178.358 2.464 25123 1991 1 8 . 1 1 27 27 LYS CA C 27 58.952 58.952 59.450 -0.498 25123 1992 1 8 . 1 1 27 27 LYS CB C 27 34.687 34.687 31.697 2.990 25123 1993 1 8 . 1 1 28 28 ALA N N 28 122.173 122.173 120.408 1.765 25123 1994 1 8 . 1 1 28 28 ALA C C 28 179.943 179.943 179.386 0.557 25123 1995 1 8 . 1 1 28 28 ALA CA C 28 54.994 54.994 55.217 -0.223 25123 1996 1 8 . 1 1 28 28 ALA CB C 28 18.446 18.446 18.368 0.078 25123 1997 1 8 . 1 1 29 29 LYS N N 29 118.608 118.608 119.063 -0.455 25123 1998 1 8 . 1 1 29 29 LYS C C 29 180.778 180.778 179.244 1.534 25123 1999 1 8 . 1 1 29 29 LYS CA C 29 59.260 59.260 59.367 -0.107 25123 2000 1 8 . 1 1 29 29 LYS CB C 29 33.897 33.897 32.278 1.619 25123 2001 1 8 . 1 1 30 30 ILE N N 30 122.662 122.662 120.005 2.657 25123 2002 1 8 . 1 1 30 30 ILE C C 30 177.453 177.453 177.802 -0.349 25123 2003 1 8 . 1 1 30 30 ILE CA C 30 66.346 66.346 63.372 2.974 25123 2004 1 8 . 1 1 30 30 ILE CB C 30 36.850 36.850 36.646 0.204 25123 2005 1 8 . 1 1 31 31 GLN N N 31 122.791 122.791 120.133 2.658 25123 2006 1 8 . 1 1 31 31 GLN C C 31 179.163 179.163 178.217 0.946 25123 2007 1 8 . 1 1 31 31 GLN CA C 31 59.483 59.483 58.829 0.654 25123 2008 1 8 . 1 1 31 31 GLN CB C 31 28.051 28.051 28.725 -0.674 25123 2009 1 8 . 1 1 32 32 ASP N N 32 121.376 121.376 119.888 1.488 25123 2010 1 8 . 1 1 32 32 ASP C C 32 177.594 177.594 178.471 -0.877 25123 2011 1 8 . 1 1 32 32 ASP CA C 32 57.854 57.854 56.595 1.259 25123 2012 1 8 . 1 1 32 32 ASP CB C 32 38.739 38.739 40.516 -1.777 25123 2013 1 8 . 1 1 33 33 LYS N N 33 119.963 119.963 119.180 0.783 25123 2014 1 8 . 1 1 33 33 LYS C C 33 178.061 178.061 177.389 0.672 25123 2015 1 8 . 1 1 33 33 LYS CA C 33 59.494 59.494 57.861 1.633 25123 2016 1 8 . 1 1 33 33 LYS CB C 33 34.403 34.403 32.848 1.555 25123 2017 1 8 . 1 1 34 34 GLU N N 34 112.029 112.029 115.943 -3.914 25123 2018 1 8 . 1 1 34 34 GLU C C 34 177.386 177.386 175.369 2.017 25123 2019 1 8 . 1 1 34 34 GLU CA C 34 55.006 55.006 55.018 -0.012 25123 2020 1 8 . 1 1 34 34 GLU CB C 34 33.307 33.307 33.889 -0.582 25123 2021 1 8 . 1 1 35 35 GLY N N 35 109.223 109.223 109.145 0.078 25123 2022 1 8 . 1 1 35 35 GLY C C 35 173.934 173.934 173.580 0.354 25123 2023 1 8 . 1 1 35 35 GLY CA C 35 45.964 45.964 45.735 0.229 25123 2024 1 8 . 1 1 36 36 ILE N N 36 119.661 119.661 124.389 -4.728 25123 2025 1 8 . 1 1 36 36 ILE C C 36 173.453 173.453 173.423 0.030 25123 2026 1 8 . 1 1 36 36 ILE CA C 36 57.734 57.734 57.677 0.057 25123 2027 1 8 . 1 1 36 36 ILE CB C 36 40.420 40.420 41.795 -1.375 25123 2028 1 8 . 1 1 37 37 PRO C C 37 176.699 176.699 175.745 0.954 25123 2029 1 8 . 1 1 37 37 PRO CA C 37 61.756 61.756 61.613 0.143 25123 2030 1 8 . 1 1 37 37 PRO CB C 37 32.060 32.060 31.280 0.780 25123 2031 1 8 . 1 1 38 38 PRO C C 38 178.414 178.414 178.034 0.380 25123 2032 1 8 . 1 1 38 38 PRO CA C 38 66.435 66.435 65.136 1.299 25123 2033 1 8 . 1 1 38 38 PRO CB C 38 33.006 33.006 31.793 1.213 25123 2034 1 8 . 1 1 39 39 ASP N N 39 114.957 114.957 115.142 -0.185 25123 2035 1 8 . 1 1 39 39 ASP C C 39 177.285 177.285 177.020 0.265 25123 2036 1 8 . 1 1 39 39 ASP CA C 39 55.350 55.350 56.084 -0.734 25123 2037 1 8 . 1 1 39 39 ASP CB C 39 38.299 38.299 40.026 -1.727 25123 2038 1 8 . 1 1 40 40 GLN N N 40 117.762 117.762 117.040 0.722 25123 2039 1 8 . 1 1 40 40 GLN C C 40 175.906 175.906 175.728 0.178 25123 2040 1 8 . 1 1 40 40 GLN CA C 40 55.230 55.230 56.232 -1.002 25123 2041 1 8 . 1 1 40 40 GLN CB C 40 29.502 29.502 29.634 -0.132 25123 2042 1 8 . 1 1 41 41 GLN N N 41 120.681 120.681 119.761 0.920 25123 2043 1 8 . 1 1 41 41 GLN C C 41 174.686 174.686 174.453 0.233 25123 2044 1 8 . 1 1 41 41 GLN CA C 41 55.891 55.891 55.732 0.159 25123 2045 1 8 . 1 1 41 41 GLN CB C 41 30.670 30.670 29.662 1.008 25123 2046 1 8 . 1 1 42 42 ARG N N 42 125.708 125.708 124.449 1.259 25123 2047 1 8 . 1 1 42 42 ARG C C 42 173.531 173.531 174.496 -0.965 25123 2048 1 8 . 1 1 42 42 ARG CA C 42 55.148 55.148 55.483 -0.335 25123 2049 1 8 . 1 1 42 42 ARG CB C 42 30.753 30.753 32.339 -1.586 25123 2050 1 8 . 1 1 43 43 LEU N N 43 126.959 126.959 125.974 0.985 25123 2051 1 8 . 1 1 43 43 LEU C C 43 175.631 175.631 175.123 0.508 25123 2052 1 8 . 1 1 43 43 LEU CA C 43 53.257 53.257 54.447 -1.190 25123 2053 1 8 . 1 1 43 43 LEU CB C 43 47.381 47.381 45.804 1.577 25123 2054 1 8 . 1 1 44 44 ILE N N 44 119.272 119.272 121.696 -2.424 25123 2055 1 8 . 1 1 44 44 ILE C C 44 176.098 176.098 173.971 2.127 25123 2056 1 8 . 1 1 44 44 ILE CA C 44 58.211 58.211 60.342 -2.131 25123 2057 1 8 . 1 1 44 44 ILE CB C 44 41.466 41.466 41.629 -0.163 25123 2058 1 8 . 1 1 45 45 PHE N N 45 123.683 123.683 125.432 -1.749 25123 2059 1 8 . 1 1 45 45 PHE C C 45 173.634 173.634 173.973 -0.339 25123 2060 1 8 . 1 1 45 45 PHE CA C 45 56.424 56.424 57.099 -0.675 25123 2061 1 8 . 1 1 45 45 PHE CB C 45 44.327 44.327 43.479 0.848 25123 2062 1 8 . 1 1 46 46 ALA N N 46 135.683 135.683 128.671 7.012 25123 2063 1 8 . 1 1 46 46 ALA C C 46 177.303 177.303 177.417 -0.114 25123 2064 1 8 . 1 1 46 46 ALA CA C 46 52.154 52.154 52.658 -0.504 25123 2065 1 8 . 1 1 46 46 ALA CB C 46 16.523 16.523 16.140 0.383 25123 2066 1 8 . 1 1 47 47 GLY N N 47 103.653 103.653 103.956 -0.303 25123 2067 1 8 . 1 1 47 47 GLY C C 47 173.479 173.479 175.009 -1.530 25123 2068 1 8 . 1 1 47 47 GLY CA C 47 45.566 45.566 45.670 -0.104 25123 2069 1 8 . 1 1 48 48 LYS N N 48 122.542 122.542 124.208 -1.666 25123 2070 1 8 . 1 1 48 48 LYS C C 48 174.995 174.995 176.075 -1.080 25123 2071 1 8 . 1 1 48 48 LYS CA C 48 55.336 55.336 55.697 -0.361 25123 2072 1 8 . 1 1 48 48 LYS CB C 48 31.402 31.402 33.009 -1.607 25123 2073 1 8 . 1 1 49 49 GLN N N 49 123.910 123.910 123.564 0.346 25123 2074 1 8 . 1 1 49 49 GLN C C 49 175.717 175.717 175.235 0.482 25123 2075 1 8 . 1 1 49 49 GLN CA C 49 55.930 55.930 54.957 0.973 25123 2076 1 8 . 1 1 49 49 GLN CB C 49 30.277 30.277 28.677 1.600 25123 2077 1 8 . 1 1 50 50 LEU N N 50 123.942 123.942 126.922 -2.980 25123 2078 1 8 . 1 1 50 50 LEU C C 50 176.418 176.418 176.722 -0.304 25123 2079 1 8 . 1 1 50 50 LEU CA C 50 54.097 54.097 54.792 -0.695 25123 2080 1 8 . 1 1 50 50 LEU CB C 50 41.271 41.271 41.730 -0.459 25123 2081 1 8 . 1 1 51 51 GLU N N 51 123.530 123.530 125.300 -1.770 25123 2082 1 8 . 1 1 51 51 GLU C C 51 177.113 177.113 176.431 0.682 25123 2083 1 8 . 1 1 51 51 GLU CA C 51 55.885 55.885 55.888 -0.003 25123 2084 1 8 . 1 1 51 51 GLU CB C 51 29.933 29.933 30.263 -0.330 25123 2085 1 8 . 1 1 52 52 ASP N N 52 118.613 118.613 118.825 -0.212 25123 2086 1 8 . 1 1 52 52 ASP C C 52 175.901 175.901 176.170 -0.269 25123 2087 1 8 . 1 1 52 52 ASP CA C 52 57.657 57.657 55.459 2.198 25123 2088 1 8 . 1 1 52 52 ASP CB C 52 39.653 39.653 40.001 -0.348 25123 2089 1 8 . 1 1 53 53 GLY N N 53 100.907 100.907 103.300 -2.393 25123 2090 1 8 . 1 1 53 53 GLY C C 53 174.864 174.864 173.845 1.019 25123 2091 1 8 . 1 1 53 53 GLY CA C 53 45.569 45.569 44.495 1.074 25123 2092 1 8 . 1 1 54 54 ARG N N 54 120.839 120.839 119.425 1.414 25123 2093 1 8 . 1 1 54 54 ARG C C 54 175.028 175.028 176.032 -1.004 25123 2094 1 8 . 1 1 54 54 ARG CA C 54 53.399 53.399 55.303 -1.904 25123 2095 1 8 . 1 1 54 54 ARG CB C 54 32.641 32.641 31.705 0.936 25123 2096 1 8 . 1 1 55 55 THR N N 55 107.625 107.625 116.720 -9.095 25123 2097 1 8 . 1 1 55 55 THR C C 55 176.443 176.443 175.025 1.418 25123 2098 1 8 . 1 1 55 55 THR CA C 55 59.622 59.622 64.122 -4.500 25123 2099 1 8 . 1 1 55 55 THR CB C 55 73.519 73.519 69.501 4.018 25123 2100 1 8 . 1 1 56 56 LEU N N 56 117.418 117.418 127.345 -9.927 25123 2101 1 8 . 1 1 56 56 LEU C C 56 180.338 180.338 178.112 2.226 25123 2102 1 8 . 1 1 56 56 LEU CA C 56 58.330 58.330 56.887 1.443 25123 2103 1 8 . 1 1 56 56 LEU CB C 56 39.711 39.711 42.044 -2.333 25123 2104 1 8 . 1 1 57 57 SER N N 57 112.187 112.187 114.870 -2.683 25123 2105 1 8 . 1 1 57 57 SER C C 57 178.403 178.403 176.562 1.841 25123 2106 1 8 . 1 1 57 57 SER CA C 57 60.751 60.751 61.557 -0.806 25123 2107 1 8 . 1 1 57 57 SER CB C 57 62.656 62.656 62.850 -0.194 25123 2108 1 8 . 1 1 58 58 ASP N N 58 125.051 125.051 121.135 3.916 25123 2109 1 8 . 1 1 58 58 ASP C C 58 176.085 176.085 177.322 -1.237 25123 2110 1 8 . 1 1 58 58 ASP CA C 58 57.592 57.592 56.250 1.342 25123 2111 1 8 . 1 1 58 58 ASP CB C 58 38.834 38.834 40.370 -1.536 25123 2112 1 8 . 1 1 59 59 TYR N N 59 113.039 113.039 116.890 -3.851 25123 2113 1 8 . 1 1 59 59 TYR C C 59 175.980 175.980 174.770 1.210 25123 2114 1 8 . 1 1 59 59 TYR CA C 59 57.117 57.117 58.923 -1.806 25123 2115 1 8 . 1 1 59 59 TYR CB C 59 40.451 40.451 38.325 2.126 25123 2116 1 8 . 1 1 60 60 ASN N N 60 117.395 117.395 115.214 2.181 25123 2117 1 8 . 1 1 60 60 ASN C C 60 174.090 174.090 174.639 -0.549 25123 2118 1 8 . 1 1 60 60 ASN CA C 60 53.685 53.685 54.075 -0.390 25123 2119 1 8 . 1 1 60 60 ASN CB C 60 37.668 37.668 37.303 0.365 25123 2120 1 8 . 1 1 61 61 ILE N N 61 118.676 118.676 117.739 0.937 25123 2121 1 8 . 1 1 61 61 ILE C C 61 174.143 174.143 175.791 -1.648 25123 2122 1 8 . 1 1 61 61 ILE CA C 61 62.910 62.910 60.702 2.208 25123 2123 1 8 . 1 1 61 61 ILE CB C 61 36.447 36.447 37.593 -1.146 25123 2124 1 8 . 1 1 62 62 GLN N N 62 125.804 125.804 124.932 0.872 25123 2125 1 8 . 1 1 62 62 GLN C C 62 175.238 175.238 176.780 -1.542 25123 2126 1 8 . 1 1 62 62 GLN CA C 62 53.591 53.591 54.860 -1.269 25123 2127 1 8 . 1 1 62 62 GLN CB C 62 32.176 32.176 30.624 1.552 25123 2128 1 8 . 1 1 63 63 LYS N N 63 119.391 119.391 122.440 -3.049 25123 2129 1 8 . 1 1 63 63 LYS C C 63 176.583 176.583 175.820 0.763 25123 2130 1 8 . 1 1 63 63 LYS CA C 63 58.439 58.439 57.774 0.665 25123 2131 1 8 . 1 1 63 63 LYS CB C 63 32.841 32.841 30.332 2.509 25123 2132 1 8 . 1 1 64 64 GLU N N 64 114.930 114.930 113.380 1.550 25123 2133 1 8 . 1 1 64 64 GLU C C 64 174.910 174.910 175.424 -0.514 25123 2134 1 8 . 1 1 64 64 GLU CA C 64 58.210 58.210 56.923 1.287 25123 2135 1 8 . 1 1 64 64 GLU CB C 64 26.087 26.087 27.113 -1.026 25123 2136 1 8 . 1 1 65 65 SER N N 65 115.678 115.678 115.257 0.421 25123 2137 1 8 . 1 1 65 65 SER C C 65 171.997 171.997 174.515 -2.518 25123 2138 1 8 . 1 1 65 65 SER CA C 65 61.259 61.259 59.812 1.447 25123 2139 1 8 . 1 1 65 65 SER CB C 65 65.081 65.081 64.628 0.453 25123 2140 1 8 . 1 1 66 66 THR N N 66 118.225 118.225 115.235 2.990 25123 2141 1 8 . 1 1 66 66 THR C C 66 172.934 172.934 174.141 -1.207 25123 2142 1 8 . 1 1 66 66 THR CA C 66 62.542 62.542 61.563 0.979 25123 2143 1 8 . 1 1 66 66 THR CB C 66 69.996 69.996 69.335 0.660 25123 2144 1 8 . 1 1 67 67 LEU N N 67 128.926 128.926 128.696 0.230 25123 2145 1 8 . 1 1 67 67 LEU C C 67 175.489 175.489 176.208 -0.719 25123 2146 1 8 . 1 1 67 67 LEU CA C 67 53.446 53.446 53.765 -0.319 25123 2147 1 8 . 1 1 67 67 LEU CB C 67 44.469 44.469 43.982 0.487 25123 2148 1 8 . 1 1 68 68 HIS N N 68 117.795 117.795 120.643 -2.848 25123 2149 1 8 . 1 1 68 68 HIS C C 68 175.598 175.598 174.185 1.413 25123 2150 1 8 . 1 1 68 68 HIS CA C 68 54.470 54.470 55.491 -1.021 25123 2151 1 8 . 1 1 68 68 HIS CB C 68 30.406 30.406 32.099 -1.693 25123 2152 1 8 . 1 1 69 69 LEU N N 69 125.977 125.977 122.039 3.938 25123 2153 1 8 . 1 1 69 69 LEU C C 69 176.381 176.381 175.829 0.552 25123 2154 1 8 . 1 1 69 69 LEU CA C 69 55.244 55.244 54.311 0.933 25123 2155 1 8 . 1 1 69 69 LEU CB C 69 41.876 41.876 43.446 -1.570 25123 2156 1 8 . 1 1 70 70 VAL N N 70 112.216 112.216 120.060 -7.844 25123 2157 1 8 . 1 1 70 70 VAL C C 70 176.198 176.198 174.510 1.688 25123 2158 1 8 . 1 1 70 70 VAL CA C 70 58.852 58.852 60.716 -1.864 25123 2159 1 8 . 1 1 70 70 VAL CB C 70 36.273 36.273 34.922 1.351 25123 2160 1 8 . 1 1 71 71 LEU N N 71 119.738 119.738 123.389 -3.651 25123 2161 1 9 . 1 1 2 2 GLN N N 2 124.995 124.995 119.540 5.455 25123 2162 1 9 . 1 1 2 2 GLN C C 2 175.129 175.129 175.510 -0.381 25123 2163 1 9 . 1 1 2 2 GLN CA C 2 54.151 54.151 55.590 -1.439 25123 2164 1 9 . 1 1 2 2 GLN CB C 2 31.512 31.512 30.189 1.323 25123 2165 1 9 . 1 1 3 3 ILE N N 3 115.187 115.187 118.383 -3.196 25123 2166 1 9 . 1 1 3 3 ILE C C 3 172.341 172.341 173.865 -1.524 25123 2167 1 9 . 1 1 3 3 ILE CA C 3 58.782 58.782 60.524 -1.742 25123 2168 1 9 . 1 1 3 3 ILE CB C 3 41.724 41.724 42.267 -0.543 25123 2169 1 9 . 1 1 4 4 PHE N N 4 119.217 119.217 124.789 -5.572 25123 2170 1 9 . 1 1 4 4 PHE C C 4 175.271 175.271 172.787 2.484 25123 2171 1 9 . 1 1 4 4 PHE CA C 4 54.724 54.724 55.099 -0.375 25123 2172 1 9 . 1 1 4 4 PHE CB C 4 41.420 41.420 41.802 -0.382 25123 2173 1 9 . 1 1 5 5 VAL N N 5 120.981 120.981 122.659 -1.678 25123 2174 1 9 . 1 1 5 5 VAL C C 5 175.475 175.475 174.548 0.927 25123 2175 1 9 . 1 1 5 5 VAL CA C 5 59.985 59.985 61.193 -1.208 25123 2176 1 9 . 1 1 5 5 VAL CB C 5 34.746 34.746 33.922 0.824 25123 2177 1 9 . 1 1 6 6 LYS N N 6 126.148 126.148 127.805 -1.657 25123 2178 1 9 . 1 1 6 6 LYS C C 6 177.162 177.162 175.942 1.220 25123 2179 1 9 . 1 1 6 6 LYS CA C 6 53.411 53.411 54.542 -1.131 25123 2180 1 9 . 1 1 6 6 LYS CB C 6 33.816 33.816 34.633 -0.817 25123 2181 1 9 . 1 1 7 7 THR N N 7 112.835 112.835 120.673 -7.838 25123 2182 1 9 . 1 1 7 7 THR C C 7 177.658 177.658 175.622 2.036 25123 2183 1 9 . 1 1 7 7 THR CA C 7 60.275 60.275 60.592 -0.317 25123 2184 1 9 . 1 1 7 7 THR CB C 7 70.196 70.196 70.621 -0.425 25123 2185 1 9 . 1 1 8 8 LEU N N 8 119.266 119.266 122.322 -3.056 25123 2186 1 9 . 1 1 8 8 LEU C C 8 177.371 177.371 176.918 0.453 25123 2187 1 9 . 1 1 8 8 LEU CA C 8 57.281 57.281 57.378 -0.097 25123 2188 1 9 . 1 1 8 8 LEU CB C 8 42.393 42.393 42.187 0.207 25123 2189 1 9 . 1 1 9 9 THR N N 9 102.533 102.533 108.524 -5.991 25123 2190 1 9 . 1 1 9 9 THR C C 9 175.626 175.626 176.045 -0.419 25123 2191 1 9 . 1 1 9 9 THR CA C 9 60.939 60.939 61.237 -0.298 25123 2192 1 9 . 1 1 9 9 THR CB C 9 69.319 69.319 68.685 0.634 25123 2193 1 9 . 1 1 10 10 GLY N N 10 109.378 109.378 110.791 -1.413 25123 2194 1 9 . 1 1 10 10 GLY C C 10 173.399 173.399 174.130 -0.731 25123 2195 1 9 . 1 1 10 10 GLY CA C 10 44.919 44.919 45.748 -0.830 25123 2196 1 9 . 1 1 11 11 LYS N N 11 122.170 122.170 120.909 1.261 25123 2197 1 9 . 1 1 11 11 LYS C C 11 175.345 175.345 175.211 0.134 25123 2198 1 9 . 1 1 11 11 LYS CA C 11 56.455 56.455 54.929 1.526 25123 2199 1 9 . 1 1 11 11 LYS CB C 11 32.909 32.909 33.882 -0.973 25123 2200 1 9 . 1 1 12 12 THR N N 12 119.755 119.755 121.636 -1.881 25123 2201 1 9 . 1 1 12 12 THR C C 12 174.369 174.369 174.069 0.300 25123 2202 1 9 . 1 1 12 12 THR CA C 12 62.752 62.752 61.463 1.289 25123 2203 1 9 . 1 1 12 12 THR CB C 12 69.600 69.600 69.762 -0.162 25123 2204 1 9 . 1 1 13 13 ILE N N 13 128.577 128.577 131.086 -2.509 25123 2205 1 9 . 1 1 13 13 ILE C C 13 175.206 175.206 173.807 1.399 25123 2206 1 9 . 1 1 13 13 ILE CA C 13 59.786 59.786 59.962 -0.176 25123 2207 1 9 . 1 1 13 13 ILE CB C 13 40.425 40.425 40.183 0.242 25123 2208 1 9 . 1 1 14 14 THR N N 14 124.443 124.443 124.107 0.336 25123 2209 1 9 . 1 1 14 14 THR C C 14 174.021 174.021 173.684 0.337 25123 2210 1 9 . 1 1 14 14 THR CA C 14 62.575 62.575 60.700 1.875 25123 2211 1 9 . 1 1 14 14 THR CB C 14 69.456 69.456 69.965 -0.509 25123 2212 1 9 . 1 1 15 15 LEU N N 15 125.201 125.201 125.699 -0.498 25123 2213 1 9 . 1 1 15 15 LEU C C 15 174.061 174.061 175.413 -1.352 25123 2214 1 9 . 1 1 15 15 LEU CA C 15 52.527 52.527 53.402 -0.875 25123 2215 1 9 . 1 1 15 15 LEU CB C 15 46.336 46.336 44.354 1.982 25123 2216 1 9 . 1 1 16 16 GLU N N 16 123.386 123.386 122.837 0.549 25123 2217 1 9 . 1 1 16 16 GLU C C 16 175.078 175.078 174.759 0.319 25123 2218 1 9 . 1 1 16 16 GLU CA C 16 54.227 54.227 56.187 -1.960 25123 2219 1 9 . 1 1 16 16 GLU CB C 16 30.420 30.420 30.330 0.090 25123 2220 1 9 . 1 1 17 17 VAL N N 17 118.752 118.752 124.960 -6.208 25123 2221 1 9 . 1 1 17 17 VAL C C 17 175.053 175.053 173.933 1.120 25123 2222 1 9 . 1 1 17 17 VAL CA C 17 58.614 58.614 59.573 -0.959 25123 2223 1 9 . 1 1 17 17 VAL CB C 17 36.538 36.538 36.108 0.430 25123 2224 1 9 . 1 1 18 18 GLU N N 18 119.002 119.002 124.616 -5.614 25123 2225 1 9 . 1 1 18 18 GLU C C 18 175.268 175.268 175.427 -0.159 25123 2226 1 9 . 1 1 18 18 GLU CA C 18 54.699 54.699 54.885 -0.186 25123 2227 1 9 . 1 1 18 18 GLU CB C 18 29.855 29.855 28.944 0.911 25123 2228 1 9 . 1 1 19 19 PRO C C 19 177.480 177.480 176.673 0.807 25123 2229 1 9 . 1 1 19 19 PRO CA C 19 65.786 65.786 64.355 1.431 25123 2230 1 9 . 1 1 19 19 PRO CB C 19 32.203 32.203 31.792 0.411 25123 2231 1 9 . 1 1 20 20 SER N N 20 108.760 108.760 113.416 -4.656 25123 2232 1 9 . 1 1 20 20 SER C C 20 173.331 173.331 173.898 -0.567 25123 2233 1 9 . 1 1 20 20 SER CA C 20 57.116 57.116 59.008 -1.892 25123 2234 1 9 . 1 1 20 20 SER CB C 20 61.298 61.298 63.273 -1.975 25123 2235 1 9 . 1 1 21 21 ASP N N 21 122.289 122.289 120.724 1.565 25123 2236 1 9 . 1 1 21 21 ASP C C 21 176.559 176.559 175.593 0.966 25123 2237 1 9 . 1 1 21 21 ASP CA C 21 56.652 56.652 54.934 1.718 25123 2238 1 9 . 1 1 21 21 ASP CB C 21 38.542 38.542 39.069 -0.527 25123 2239 1 9 . 1 1 22 22 THR N N 22 106.584 106.584 110.625 -4.041 25123 2240 1 9 . 1 1 22 22 THR C C 22 176.291 176.291 176.049 0.242 25123 2241 1 9 . 1 1 22 22 THR CA C 22 59.648 59.648 61.036 -1.388 25123 2242 1 9 . 1 1 22 22 THR CB C 22 70.782 70.782 69.888 0.894 25123 2243 1 9 . 1 1 23 23 ILE N N 23 121.744 121.744 125.775 -4.031 25123 2244 1 9 . 1 1 23 23 ILE C C 23 179.237 179.237 177.618 1.619 25123 2245 1 9 . 1 1 23 23 ILE CA C 23 61.844 61.844 65.590 -3.746 25123 2246 1 9 . 1 1 23 23 ILE CB C 23 33.283 33.283 36.709 -3.426 25123 2247 1 9 . 1 1 24 24 GLU N N 24 123.433 123.433 117.748 5.685 25123 2248 1 9 . 1 1 24 24 GLU C C 24 178.873 178.873 178.390 0.483 25123 2249 1 9 . 1 1 24 24 GLU CA C 24 58.974 58.974 59.246 -0.272 25123 2250 1 9 . 1 1 24 24 GLU CB C 24 30.615 30.615 28.698 1.917 25123 2251 1 9 . 1 1 25 25 ASN N N 25 121.016 121.016 118.198 2.818 25123 2252 1 9 . 1 1 25 25 ASN C C 25 180.408 180.408 177.637 2.771 25123 2253 1 9 . 1 1 25 25 ASN CA C 25 55.296 55.296 55.654 -0.358 25123 2254 1 9 . 1 1 25 25 ASN CB C 25 36.619 36.619 39.039 -2.420 25123 2255 1 9 . 1 1 26 26 VAL N N 26 124.407 124.407 121.047 3.360 25123 2256 1 9 . 1 1 26 26 VAL C C 26 177.380 177.380 177.825 -0.445 25123 2257 1 9 . 1 1 26 26 VAL CA C 26 67.722 67.722 66.502 1.220 25123 2258 1 9 . 1 1 26 26 VAL CB C 26 30.996 30.996 31.332 -0.336 25123 2259 1 9 . 1 1 27 27 LYS N N 27 119.991 119.991 119.194 0.797 25123 2260 1 9 . 1 1 27 27 LYS C C 27 180.822 180.822 178.760 2.062 25123 2261 1 9 . 1 1 27 27 LYS CA C 27 58.952 58.952 59.251 -0.299 25123 2262 1 9 . 1 1 27 27 LYS CB C 27 34.687 34.687 31.293 3.394 25123 2263 1 9 . 1 1 28 28 ALA N N 28 122.173 122.173 121.869 0.304 25123 2264 1 9 . 1 1 28 28 ALA C C 28 179.943 179.943 179.516 0.427 25123 2265 1 9 . 1 1 28 28 ALA CA C 28 54.994 54.994 55.209 -0.215 25123 2266 1 9 . 1 1 28 28 ALA CB C 28 18.446 18.446 18.328 0.118 25123 2267 1 9 . 1 1 29 29 LYS N N 29 118.608 118.608 119.263 -0.655 25123 2268 1 9 . 1 1 29 29 LYS C C 29 180.778 180.778 178.998 1.780 25123 2269 1 9 . 1 1 29 29 LYS CA C 29 59.260 59.260 59.417 -0.157 25123 2270 1 9 . 1 1 29 29 LYS CB C 29 33.897 33.897 32.195 1.702 25123 2271 1 9 . 1 1 30 30 ILE N N 30 122.662 122.662 119.940 2.722 25123 2272 1 9 . 1 1 30 30 ILE C C 30 177.453 177.453 178.047 -0.594 25123 2273 1 9 . 1 1 30 30 ILE CA C 30 66.346 66.346 63.533 2.812 25123 2274 1 9 . 1 1 30 30 ILE CB C 30 36.850 36.850 36.756 0.094 25123 2275 1 9 . 1 1 31 31 GLN N N 31 122.791 122.791 120.227 2.564 25123 2276 1 9 . 1 1 31 31 GLN C C 31 179.163 179.163 178.409 0.754 25123 2277 1 9 . 1 1 31 31 GLN CA C 31 59.483 59.483 58.720 0.763 25123 2278 1 9 . 1 1 31 31 GLN CB C 31 28.051 28.051 28.720 -0.669 25123 2279 1 9 . 1 1 32 32 ASP N N 32 121.376 121.376 119.856 1.520 25123 2280 1 9 . 1 1 32 32 ASP C C 32 177.594 177.594 178.330 -0.736 25123 2281 1 9 . 1 1 32 32 ASP CA C 32 57.854 57.854 56.947 0.907 25123 2282 1 9 . 1 1 32 32 ASP CB C 32 38.739 38.739 40.984 -2.245 25123 2283 1 9 . 1 1 33 33 LYS N N 33 119.963 119.963 118.412 1.551 25123 2284 1 9 . 1 1 33 33 LYS C C 33 178.061 178.061 177.158 0.903 25123 2285 1 9 . 1 1 33 33 LYS CA C 33 59.494 59.494 57.616 1.878 25123 2286 1 9 . 1 1 33 33 LYS CB C 33 34.403 34.403 33.136 1.267 25123 2287 1 9 . 1 1 34 34 GLU N N 34 112.029 112.029 117.641 -5.612 25123 2288 1 9 . 1 1 34 34 GLU C C 34 177.386 177.386 175.093 2.293 25123 2289 1 9 . 1 1 34 34 GLU CA C 34 55.006 55.006 54.565 0.441 25123 2290 1 9 . 1 1 34 34 GLU CB C 34 33.307 33.307 33.164 0.143 25123 2291 1 9 . 1 1 35 35 GLY N N 35 109.223 109.223 111.220 -1.997 25123 2292 1 9 . 1 1 35 35 GLY C C 35 173.934 173.934 173.459 0.475 25123 2293 1 9 . 1 1 35 35 GLY CA C 35 45.964 45.964 45.654 0.310 25123 2294 1 9 . 1 1 36 36 ILE N N 36 119.661 119.661 125.620 -5.959 25123 2295 1 9 . 1 1 36 36 ILE C C 36 173.453 173.453 172.947 0.506 25123 2296 1 9 . 1 1 36 36 ILE CA C 36 57.734 57.734 57.168 0.566 25123 2297 1 9 . 1 1 36 36 ILE CB C 36 40.420 40.420 41.824 -1.404 25123 2298 1 9 . 1 1 37 37 PRO C C 37 176.699 176.699 176.134 0.565 25123 2299 1 9 . 1 1 37 37 PRO CA C 37 61.756 61.756 61.347 0.409 25123 2300 1 9 . 1 1 37 37 PRO CB C 37 32.060 32.060 31.390 0.670 25123 2301 1 9 . 1 1 38 38 PRO C C 38 178.414 178.414 178.509 -0.095 25123 2302 1 9 . 1 1 38 38 PRO CA C 38 66.435 66.435 65.615 0.820 25123 2303 1 9 . 1 1 38 38 PRO CB C 38 33.006 33.006 31.574 1.432 25123 2304 1 9 . 1 1 39 39 ASP N N 39 114.957 114.957 117.460 -2.503 25123 2305 1 9 . 1 1 39 39 ASP C C 39 177.285 177.285 177.565 -0.280 25123 2306 1 9 . 1 1 39 39 ASP CA C 39 55.350 55.350 56.502 -1.152 25123 2307 1 9 . 1 1 39 39 ASP CB C 39 38.299 38.299 39.700 -1.401 25123 2308 1 9 . 1 1 40 40 GLN N N 40 117.762 117.762 115.873 1.889 25123 2309 1 9 . 1 1 40 40 GLN C C 40 175.906 175.906 174.599 1.307 25123 2310 1 9 . 1 1 40 40 GLN CA C 40 55.230 55.230 55.296 -0.066 25123 2311 1 9 . 1 1 40 40 GLN CB C 40 29.502 29.502 29.577 -0.075 25123 2312 1 9 . 1 1 41 41 GLN N N 41 120.681 120.681 119.063 1.618 25123 2313 1 9 . 1 1 41 41 GLN C C 41 174.686 174.686 173.920 0.766 25123 2314 1 9 . 1 1 41 41 GLN CA C 41 55.891 55.891 55.080 0.811 25123 2315 1 9 . 1 1 41 41 GLN CB C 41 30.670 30.670 31.004 -0.334 25123 2316 1 9 . 1 1 42 42 ARG N N 42 125.708 125.708 124.503 1.205 25123 2317 1 9 . 1 1 42 42 ARG C C 42 173.531 173.531 174.380 -0.849 25123 2318 1 9 . 1 1 42 42 ARG CA C 42 55.148 55.148 55.412 -0.264 25123 2319 1 9 . 1 1 42 42 ARG CB C 42 30.753 30.753 33.130 -2.377 25123 2320 1 9 . 1 1 43 43 LEU N N 43 126.959 126.959 123.014 3.945 25123 2321 1 9 . 1 1 43 43 LEU C C 43 175.631 175.631 175.540 0.091 25123 2322 1 9 . 1 1 43 43 LEU CA C 43 53.257 53.257 53.372 -0.115 25123 2323 1 9 . 1 1 43 43 LEU CB C 43 47.381 47.381 45.605 1.776 25123 2324 1 9 . 1 1 44 44 ILE N N 44 119.272 119.272 115.983 3.289 25123 2325 1 9 . 1 1 44 44 ILE C C 44 176.098 176.098 173.525 2.573 25123 2326 1 9 . 1 1 44 44 ILE CA C 44 58.211 58.211 59.330 -1.119 25123 2327 1 9 . 1 1 44 44 ILE CB C 44 41.466 41.466 42.086 -0.619 25123 2328 1 9 . 1 1 45 45 PHE N N 45 123.683 123.683 125.893 -2.210 25123 2329 1 9 . 1 1 45 45 PHE C C 45 173.634 173.634 174.686 -1.052 25123 2330 1 9 . 1 1 45 45 PHE CA C 45 56.424 56.424 55.530 0.894 25123 2331 1 9 . 1 1 45 45 PHE CB C 45 44.327 44.327 41.802 2.525 25123 2332 1 9 . 1 1 46 46 ALA N N 46 135.683 135.683 130.239 5.444 25123 2333 1 9 . 1 1 46 46 ALA C C 46 177.303 177.303 177.379 -0.076 25123 2334 1 9 . 1 1 46 46 ALA CA C 46 52.154 52.154 52.538 -0.383 25123 2335 1 9 . 1 1 46 46 ALA CB C 46 16.523 16.523 16.324 0.199 25123 2336 1 9 . 1 1 47 47 GLY N N 47 103.653 103.653 103.347 0.306 25123 2337 1 9 . 1 1 47 47 GLY C C 47 173.479 173.479 174.605 -1.126 25123 2338 1 9 . 1 1 47 47 GLY CA C 47 45.566 45.566 44.842 0.724 25123 2339 1 9 . 1 1 48 48 LYS N N 48 122.542 122.542 123.841 -1.299 25123 2340 1 9 . 1 1 48 48 LYS C C 48 174.995 174.995 175.348 -0.353 25123 2341 1 9 . 1 1 48 48 LYS CA C 48 55.336 55.336 56.056 -0.720 25123 2342 1 9 . 1 1 48 48 LYS CB C 48 31.402 31.402 32.651 -1.249 25123 2343 1 9 . 1 1 49 49 GLN N N 49 123.910 123.910 126.093 -2.183 25123 2344 1 9 . 1 1 49 49 GLN C C 49 175.717 175.717 174.792 0.925 25123 2345 1 9 . 1 1 49 49 GLN CA C 49 55.930 55.930 55.663 0.267 25123 2346 1 9 . 1 1 49 49 GLN CB C 49 30.277 30.277 29.425 0.852 25123 2347 1 9 . 1 1 50 50 LEU N N 50 123.942 123.942 128.883 -4.941 25123 2348 1 9 . 1 1 50 50 LEU C C 50 176.418 176.418 176.467 -0.049 25123 2349 1 9 . 1 1 50 50 LEU CA C 50 54.097 54.097 54.977 -0.880 25123 2350 1 9 . 1 1 50 50 LEU CB C 50 41.271 41.271 41.987 -0.716 25123 2351 1 9 . 1 1 51 51 GLU N N 51 123.530 123.530 123.238 0.292 25123 2352 1 9 . 1 1 51 51 GLU C C 51 177.113 177.113 177.378 -0.265 25123 2353 1 9 . 1 1 51 51 GLU CA C 51 55.885 55.885 55.888 -0.003 25123 2354 1 9 . 1 1 51 51 GLU CB C 51 29.933 29.933 31.205 -1.272 25123 2355 1 9 . 1 1 52 52 ASP N N 52 118.613 118.613 119.309 -0.696 25123 2356 1 9 . 1 1 52 52 ASP C C 52 175.901 175.901 176.105 -0.204 25123 2357 1 9 . 1 1 52 52 ASP CA C 52 57.657 57.657 55.135 2.522 25123 2358 1 9 . 1 1 52 52 ASP CB C 52 39.653 39.653 39.541 0.112 25123 2359 1 9 . 1 1 53 53 GLY N N 53 100.907 100.907 106.196 -5.289 25123 2360 1 9 . 1 1 53 53 GLY C C 53 174.864 174.864 173.721 1.143 25123 2361 1 9 . 1 1 53 53 GLY CA C 53 45.569 45.569 44.512 1.057 25123 2362 1 9 . 1 1 54 54 ARG N N 54 120.839 120.839 120.362 0.477 25123 2363 1 9 . 1 1 54 54 ARG C C 54 175.028 175.028 175.864 -0.836 25123 2364 1 9 . 1 1 54 54 ARG CA C 54 53.399 53.399 55.870 -2.471 25123 2365 1 9 . 1 1 54 54 ARG CB C 54 32.641 32.641 31.750 0.891 25123 2366 1 9 . 1 1 55 55 THR N N 55 107.625 107.625 117.362 -9.737 25123 2367 1 9 . 1 1 55 55 THR C C 55 176.443 176.443 175.040 1.403 25123 2368 1 9 . 1 1 55 55 THR CA C 55 59.622 59.622 64.224 -4.602 25123 2369 1 9 . 1 1 55 55 THR CB C 55 73.519 73.519 69.507 4.012 25123 2370 1 9 . 1 1 56 56 LEU N N 56 117.418 117.418 127.380 -9.962 25123 2371 1 9 . 1 1 56 56 LEU C C 56 180.338 180.338 178.551 1.787 25123 2372 1 9 . 1 1 56 56 LEU CA C 56 58.330 58.330 57.777 0.553 25123 2373 1 9 . 1 1 56 56 LEU CB C 56 39.711 39.711 42.037 -2.326 25123 2374 1 9 . 1 1 57 57 SER N N 57 112.187 112.187 115.172 -2.985 25123 2375 1 9 . 1 1 57 57 SER C C 57 178.403 178.403 176.810 1.593 25123 2376 1 9 . 1 1 57 57 SER CA C 57 60.751 60.751 61.242 -0.491 25123 2377 1 9 . 1 1 57 57 SER CB C 57 62.656 62.656 62.736 -0.080 25123 2378 1 9 . 1 1 58 58 ASP N N 58 125.051 125.051 120.679 4.372 25123 2379 1 9 . 1 1 58 58 ASP C C 58 176.085 176.085 177.274 -1.189 25123 2380 1 9 . 1 1 58 58 ASP CA C 58 57.592 57.592 56.126 1.466 25123 2381 1 9 . 1 1 58 58 ASP CB C 58 38.834 38.834 40.809 -1.975 25123 2382 1 9 . 1 1 59 59 TYR N N 59 113.039 113.039 116.657 -3.618 25123 2383 1 9 . 1 1 59 59 TYR C C 59 175.980 175.980 174.741 1.239 25123 2384 1 9 . 1 1 59 59 TYR CA C 59 57.117 57.117 58.806 -1.689 25123 2385 1 9 . 1 1 59 59 TYR CB C 59 40.451 40.451 38.700 1.750 25123 2386 1 9 . 1 1 60 60 ASN N N 60 117.395 117.395 115.845 1.550 25123 2387 1 9 . 1 1 60 60 ASN C C 60 174.090 174.090 174.934 -0.844 25123 2388 1 9 . 1 1 60 60 ASN CA C 60 53.685 53.685 53.720 -0.035 25123 2389 1 9 . 1 1 60 60 ASN CB C 60 37.668 37.668 37.627 0.042 25123 2390 1 9 . 1 1 61 61 ILE N N 61 118.676 118.676 118.437 0.239 25123 2391 1 9 . 1 1 61 61 ILE C C 61 174.143 174.143 176.153 -2.010 25123 2392 1 9 . 1 1 61 61 ILE CA C 61 62.910 62.910 61.365 1.544 25123 2393 1 9 . 1 1 61 61 ILE CB C 61 36.447 36.447 36.692 -0.245 25123 2394 1 9 . 1 1 62 62 GLN N N 62 125.804 125.804 126.736 -0.932 25123 2395 1 9 . 1 1 62 62 GLN C C 62 175.238 175.238 176.948 -1.710 25123 2396 1 9 . 1 1 62 62 GLN CA C 62 53.591 53.591 54.535 -0.944 25123 2397 1 9 . 1 1 62 62 GLN CB C 62 32.176 32.176 31.152 1.024 25123 2398 1 9 . 1 1 63 63 LYS N N 63 119.391 119.391 121.982 -2.591 25123 2399 1 9 . 1 1 63 63 LYS C C 63 176.583 176.583 175.831 0.752 25123 2400 1 9 . 1 1 63 63 LYS CA C 63 58.439 58.439 58.037 0.402 25123 2401 1 9 . 1 1 63 63 LYS CB C 63 32.841 32.841 30.805 2.036 25123 2402 1 9 . 1 1 64 64 GLU N N 64 114.930 114.930 116.923 -1.993 25123 2403 1 9 . 1 1 64 64 GLU C C 64 174.910 174.910 175.125 -0.215 25123 2404 1 9 . 1 1 64 64 GLU CA C 64 58.210 58.210 56.361 1.849 25123 2405 1 9 . 1 1 64 64 GLU CB C 64 26.087 26.087 27.778 -1.691 25123 2406 1 9 . 1 1 65 65 SER N N 65 115.678 115.678 114.817 0.861 25123 2407 1 9 . 1 1 65 65 SER C C 65 171.997 171.997 174.179 -2.182 25123 2408 1 9 . 1 1 65 65 SER CA C 65 61.259 61.259 59.016 2.243 25123 2409 1 9 . 1 1 65 65 SER CB C 65 65.081 65.081 63.669 1.412 25123 2410 1 9 . 1 1 66 66 THR N N 66 118.225 118.225 117.407 0.818 25123 2411 1 9 . 1 1 66 66 THR C C 66 172.934 172.934 174.627 -1.693 25123 2412 1 9 . 1 1 66 66 THR CA C 66 62.542 62.542 61.976 0.566 25123 2413 1 9 . 1 1 66 66 THR CB C 66 69.996 69.996 69.577 0.419 25123 2414 1 9 . 1 1 67 67 LEU N N 67 128.926 128.926 130.441 -1.515 25123 2415 1 9 . 1 1 67 67 LEU C C 67 175.489 175.489 175.993 -0.504 25123 2416 1 9 . 1 1 67 67 LEU CA C 67 53.446 53.446 53.930 -0.484 25123 2417 1 9 . 1 1 67 67 LEU CB C 67 44.469 44.469 43.142 1.327 25123 2418 1 9 . 1 1 68 68 HIS N N 68 117.795 117.795 122.922 -5.127 25123 2419 1 9 . 1 1 68 68 HIS C C 68 175.598 175.598 174.060 1.538 25123 2420 1 9 . 1 1 68 68 HIS CA C 68 54.470 54.470 55.283 -0.813 25123 2421 1 9 . 1 1 68 68 HIS CB C 68 30.406 30.406 31.635 -1.229 25123 2422 1 9 . 1 1 69 69 LEU N N 69 125.977 125.977 128.455 -2.478 25123 2423 1 9 . 1 1 69 69 LEU C C 69 176.381 176.381 174.751 1.630 25123 2424 1 9 . 1 1 69 69 LEU CA C 69 55.244 55.244 53.452 1.792 25123 2425 1 9 . 1 1 69 69 LEU CB C 69 41.876 41.876 43.654 -1.778 25123 2426 1 9 . 1 1 70 70 VAL N N 70 112.216 112.216 123.506 -11.290 25123 2427 1 9 . 1 1 70 70 VAL C C 70 176.198 176.198 176.850 -0.652 25123 2428 1 9 . 1 1 70 70 VAL CA C 70 58.852 58.852 60.414 -1.562 25123 2429 1 9 . 1 1 70 70 VAL CB C 70 36.273 36.273 34.648 1.625 25123 2430 1 9 . 1 1 71 71 LEU N N 71 119.738 119.738 121.339 -1.601 25123 2431 1 10 . 1 1 2 2 GLN N N 2 124.995 124.995 118.678 6.317 25123 2432 1 10 . 1 1 2 2 GLN C C 2 175.129 175.129 175.243 -0.114 25123 2433 1 10 . 1 1 2 2 GLN CA C 2 54.151 54.151 54.705 -0.554 25123 2434 1 10 . 1 1 2 2 GLN CB C 2 31.512 31.512 31.236 0.276 25123 2435 1 10 . 1 1 3 3 ILE N N 3 115.187 115.187 118.237 -3.050 25123 2436 1 10 . 1 1 3 3 ILE C C 3 172.341 172.341 174.171 -1.830 25123 2437 1 10 . 1 1 3 3 ILE CA C 3 58.782 58.782 60.056 -1.274 25123 2438 1 10 . 1 1 3 3 ILE CB C 3 41.724 41.724 42.093 -0.369 25123 2439 1 10 . 1 1 4 4 PHE N N 4 119.217 119.217 124.857 -5.640 25123 2440 1 10 . 1 1 4 4 PHE C C 4 175.271 175.271 172.717 2.554 25123 2441 1 10 . 1 1 4 4 PHE CA C 4 54.724 54.724 56.008 -1.284 25123 2442 1 10 . 1 1 4 4 PHE CB C 4 41.420 41.420 42.373 -0.953 25123 2443 1 10 . 1 1 5 5 VAL N N 5 120.981 120.981 124.576 -3.595 25123 2444 1 10 . 1 1 5 5 VAL C C 5 175.475 175.475 173.677 1.798 25123 2445 1 10 . 1 1 5 5 VAL CA C 5 59.985 59.985 60.358 -0.373 25123 2446 1 10 . 1 1 5 5 VAL CB C 5 34.746 34.746 35.608 -0.862 25123 2447 1 10 . 1 1 6 6 LYS N N 6 126.148 126.148 123.725 2.423 25123 2448 1 10 . 1 1 6 6 LYS C C 6 177.162 177.162 176.268 0.894 25123 2449 1 10 . 1 1 6 6 LYS CA C 6 53.411 53.411 54.978 -1.567 25123 2450 1 10 . 1 1 6 6 LYS CB C 6 33.816 33.816 33.770 0.046 25123 2451 1 10 . 1 1 7 7 THR N N 7 112.835 112.835 114.425 -1.590 25123 2452 1 10 . 1 1 7 7 THR C C 7 177.658 177.658 176.840 0.818 25123 2453 1 10 . 1 1 7 7 THR CA C 7 60.275 60.275 60.549 -0.274 25123 2454 1 10 . 1 1 7 7 THR CB C 7 70.196 70.196 70.251 -0.055 25123 2455 1 10 . 1 1 8 8 LEU N N 8 119.266 119.266 117.108 2.158 25123 2456 1 10 . 1 1 8 8 LEU C C 8 177.371 177.371 176.978 0.393 25123 2457 1 10 . 1 1 8 8 LEU CA C 8 57.281 57.281 57.219 0.062 25123 2458 1 10 . 1 1 8 8 LEU CB C 8 42.393 42.393 41.226 1.167 25123 2459 1 10 . 1 1 9 9 THR N N 9 102.533 102.533 111.783 -9.250 25123 2460 1 10 . 1 1 9 9 THR C C 9 175.626 175.626 175.333 0.293 25123 2461 1 10 . 1 1 9 9 THR CA C 9 60.939 60.939 62.204 -1.265 25123 2462 1 10 . 1 1 9 9 THR CB C 9 69.319 69.319 69.172 0.147 25123 2463 1 10 . 1 1 10 10 GLY N N 10 109.378 109.378 109.922 -0.544 25123 2464 1 10 . 1 1 10 10 GLY C C 10 173.399 173.399 174.188 -0.789 25123 2465 1 10 . 1 1 10 10 GLY CA C 10 44.919 44.919 44.864 0.055 25123 2466 1 10 . 1 1 11 11 LYS N N 11 122.170 122.170 122.737 -0.567 25123 2467 1 10 . 1 1 11 11 LYS C C 11 175.345 175.345 176.128 -0.783 25123 2468 1 10 . 1 1 11 11 LYS CA C 11 56.455 56.455 56.253 0.202 25123 2469 1 10 . 1 1 11 11 LYS CB C 11 32.909 32.909 32.913 -0.004 25123 2470 1 10 . 1 1 12 12 THR N N 12 119.755 119.755 117.379 2.376 25123 2471 1 10 . 1 1 12 12 THR C C 12 174.369 174.369 174.385 -0.016 25123 2472 1 10 . 1 1 12 12 THR CA C 12 62.752 62.752 62.290 0.462 25123 2473 1 10 . 1 1 12 12 THR CB C 12 69.600 69.600 68.905 0.695 25123 2474 1 10 . 1 1 13 13 ILE N N 13 128.577 128.577 128.475 0.102 25123 2475 1 10 . 1 1 13 13 ILE C C 13 175.206 175.206 174.217 0.989 25123 2476 1 10 . 1 1 13 13 ILE CA C 13 59.786 59.786 59.887 -0.101 25123 2477 1 10 . 1 1 13 13 ILE CB C 13 40.425 40.425 39.676 0.749 25123 2478 1 10 . 1 1 14 14 THR N N 14 124.443 124.443 121.368 3.075 25123 2479 1 10 . 1 1 14 14 THR C C 14 174.021 174.021 173.866 0.155 25123 2480 1 10 . 1 1 14 14 THR CA C 14 62.575 62.575 60.556 2.019 25123 2481 1 10 . 1 1 14 14 THR CB C 14 69.456 69.456 70.293 -0.837 25123 2482 1 10 . 1 1 15 15 LEU N N 15 125.201 125.201 122.946 2.255 25123 2483 1 10 . 1 1 15 15 LEU C C 15 174.061 174.061 176.009 -1.948 25123 2484 1 10 . 1 1 15 15 LEU CA C 15 52.527 52.527 53.496 -0.969 25123 2485 1 10 . 1 1 15 15 LEU CB C 15 46.336 46.336 44.047 2.289 25123 2486 1 10 . 1 1 16 16 GLU N N 16 123.386 123.386 122.379 1.007 25123 2487 1 10 . 1 1 16 16 GLU C C 16 175.078 175.078 174.954 0.124 25123 2488 1 10 . 1 1 16 16 GLU CA C 16 54.227 54.227 56.172 -1.944 25123 2489 1 10 . 1 1 16 16 GLU CB C 16 30.420 30.420 30.157 0.263 25123 2490 1 10 . 1 1 17 17 VAL N N 17 118.752 118.752 122.523 -3.771 25123 2491 1 10 . 1 1 17 17 VAL C C 17 175.053 175.053 173.860 1.193 25123 2492 1 10 . 1 1 17 17 VAL CA C 17 58.614 58.614 59.398 -0.784 25123 2493 1 10 . 1 1 17 17 VAL CB C 17 36.538 36.538 35.068 1.470 25123 2494 1 10 . 1 1 18 18 GLU N N 18 119.002 119.002 122.153 -3.151 25123 2495 1 10 . 1 1 18 18 GLU C C 18 175.268 175.268 175.090 0.178 25123 2496 1 10 . 1 1 18 18 GLU CA C 18 54.699 54.699 53.662 1.037 25123 2497 1 10 . 1 1 18 18 GLU CB C 18 29.855 29.855 28.321 1.534 25123 2498 1 10 . 1 1 19 19 PRO C C 19 177.480 177.480 176.451 1.029 25123 2499 1 10 . 1 1 19 19 PRO CA C 19 65.786 65.786 64.206 1.580 25123 2500 1 10 . 1 1 19 19 PRO CB C 19 32.203 32.203 31.835 0.368 25123 2501 1 10 . 1 1 20 20 SER N N 20 108.760 108.760 111.043 -2.283 25123 2502 1 10 . 1 1 20 20 SER C C 20 173.331 173.331 174.376 -1.045 25123 2503 1 10 . 1 1 20 20 SER CA C 20 57.116 57.116 59.438 -2.322 25123 2504 1 10 . 1 1 20 20 SER CB C 20 61.298 61.298 63.289 -1.991 25123 2505 1 10 . 1 1 21 21 ASP N N 21 122.289 122.289 121.926 0.363 25123 2506 1 10 . 1 1 21 21 ASP C C 21 176.559 176.559 175.400 1.159 25123 2507 1 10 . 1 1 21 21 ASP CA C 21 56.652 56.652 55.457 1.195 25123 2508 1 10 . 1 1 21 21 ASP CB C 21 38.542 38.542 39.582 -1.040 25123 2509 1 10 . 1 1 22 22 THR N N 22 106.584 106.584 110.354 -3.770 25123 2510 1 10 . 1 1 22 22 THR C C 22 176.291 176.291 176.129 0.162 25123 2511 1 10 . 1 1 22 22 THR CA C 22 59.648 59.648 60.476 -0.828 25123 2512 1 10 . 1 1 22 22 THR CB C 22 70.782 70.782 70.379 0.402 25123 2513 1 10 . 1 1 23 23 ILE N N 23 121.744 121.744 125.343 -3.599 25123 2514 1 10 . 1 1 23 23 ILE C C 23 179.237 179.237 177.811 1.426 25123 2515 1 10 . 1 1 23 23 ILE CA C 23 61.844 61.844 64.631 -2.787 25123 2516 1 10 . 1 1 23 23 ILE CB C 23 33.283 33.283 36.046 -2.763 25123 2517 1 10 . 1 1 24 24 GLU N N 24 123.433 123.433 119.501 3.932 25123 2518 1 10 . 1 1 24 24 GLU C C 24 178.873 178.873 178.835 0.038 25123 2519 1 10 . 1 1 24 24 GLU CA C 24 58.974 58.974 59.845 -0.871 25123 2520 1 10 . 1 1 24 24 GLU CB C 24 30.615 30.615 29.013 1.602 25123 2521 1 10 . 1 1 25 25 ASN N N 25 121.016 121.016 116.636 4.380 25123 2522 1 10 . 1 1 25 25 ASN C C 25 180.408 180.408 177.592 2.816 25123 2523 1 10 . 1 1 25 25 ASN CA C 25 55.296 55.296 56.104 -0.808 25123 2524 1 10 . 1 1 25 25 ASN CB C 25 36.619 36.619 38.581 -1.962 25123 2525 1 10 . 1 1 26 26 VAL N N 26 124.407 124.407 120.345 4.062 25123 2526 1 10 . 1 1 26 26 VAL C C 26 177.380 177.380 177.988 -0.608 25123 2527 1 10 . 1 1 26 26 VAL CA C 26 67.722 67.722 66.203 1.519 25123 2528 1 10 . 1 1 26 26 VAL CB C 26 30.996 30.996 31.405 -0.409 25123 2529 1 10 . 1 1 27 27 LYS N N 27 119.991 119.991 119.414 0.577 25123 2530 1 10 . 1 1 27 27 LYS C C 27 180.822 180.822 178.633 2.189 25123 2531 1 10 . 1 1 27 27 LYS CA C 27 58.952 58.952 59.157 -0.205 25123 2532 1 10 . 1 1 27 27 LYS CB C 27 34.687 34.687 30.800 3.887 25123 2533 1 10 . 1 1 28 28 ALA N N 28 122.173 122.173 121.775 0.398 25123 2534 1 10 . 1 1 28 28 ALA C C 28 179.943 179.943 179.430 0.513 25123 2535 1 10 . 1 1 28 28 ALA CA C 28 54.994 54.994 55.331 -0.337 25123 2536 1 10 . 1 1 28 28 ALA CB C 28 18.446 18.446 18.187 0.259 25123 2537 1 10 . 1 1 29 29 LYS N N 29 118.608 118.608 118.669 -0.061 25123 2538 1 10 . 1 1 29 29 LYS C C 29 180.778 180.778 178.952 1.826 25123 2539 1 10 . 1 1 29 29 LYS CA C 29 59.260 59.260 59.206 0.053 25123 2540 1 10 . 1 1 29 29 LYS CB C 29 33.897 33.897 32.343 1.554 25123 2541 1 10 . 1 1 30 30 ILE N N 30 122.662 122.662 119.669 2.993 25123 2542 1 10 . 1 1 30 30 ILE C C 30 177.453 177.453 177.709 -0.256 25123 2543 1 10 . 1 1 30 30 ILE CA C 30 66.346 66.346 62.823 3.523 25123 2544 1 10 . 1 1 30 30 ILE CB C 30 36.850 36.850 36.655 0.195 25123 2545 1 10 . 1 1 31 31 GLN N N 31 122.791 122.791 120.566 2.225 25123 2546 1 10 . 1 1 31 31 GLN C C 31 179.163 179.163 178.551 0.612 25123 2547 1 10 . 1 1 31 31 GLN CA C 31 59.483 59.483 58.893 0.590 25123 2548 1 10 . 1 1 31 31 GLN CB C 31 28.051 28.051 28.586 -0.535 25123 2549 1 10 . 1 1 32 32 ASP N N 32 121.376 121.376 119.846 1.530 25123 2550 1 10 . 1 1 32 32 ASP C C 32 177.594 177.594 178.245 -0.651 25123 2551 1 10 . 1 1 32 32 ASP CA C 32 57.854 57.854 56.644 1.210 25123 2552 1 10 . 1 1 32 32 ASP CB C 32 38.739 38.739 40.841 -2.102 25123 2553 1 10 . 1 1 33 33 LYS N N 33 119.963 119.963 118.968 0.995 25123 2554 1 10 . 1 1 33 33 LYS C C 33 178.061 178.061 177.438 0.623 25123 2555 1 10 . 1 1 33 33 LYS CA C 33 59.494 59.494 57.833 1.661 25123 2556 1 10 . 1 1 33 33 LYS CB C 33 34.403 34.403 33.228 1.175 25123 2557 1 10 . 1 1 34 34 GLU N N 34 112.029 112.029 116.740 -4.711 25123 2558 1 10 . 1 1 34 34 GLU C C 34 177.386 177.386 175.047 2.339 25123 2559 1 10 . 1 1 34 34 GLU CA C 34 55.006 55.006 54.922 0.084 25123 2560 1 10 . 1 1 34 34 GLU CB C 34 33.307 33.307 33.951 -0.644 25123 2561 1 10 . 1 1 35 35 GLY N N 35 109.223 109.223 109.562 -0.339 25123 2562 1 10 . 1 1 35 35 GLY C C 35 173.934 173.934 173.390 0.544 25123 2563 1 10 . 1 1 35 35 GLY CA C 35 45.964 45.964 45.676 0.288 25123 2564 1 10 . 1 1 36 36 ILE N N 36 119.661 119.661 125.186 -5.525 25123 2565 1 10 . 1 1 36 36 ILE C C 36 173.453 173.453 173.276 0.177 25123 2566 1 10 . 1 1 36 36 ILE CA C 36 57.734 57.734 57.493 0.241 25123 2567 1 10 . 1 1 36 36 ILE CB C 36 40.420 40.420 41.845 -1.425 25123 2568 1 10 . 1 1 37 37 PRO C C 37 176.699 176.699 176.005 0.694 25123 2569 1 10 . 1 1 37 37 PRO CA C 37 61.756 61.756 61.166 0.590 25123 2570 1 10 . 1 1 37 37 PRO CB C 37 32.060 32.060 31.442 0.618 25123 2571 1 10 . 1 1 38 38 PRO C C 38 178.414 178.414 178.427 -0.013 25123 2572 1 10 . 1 1 38 38 PRO CA C 38 66.435 66.435 65.722 0.713 25123 2573 1 10 . 1 1 38 38 PRO CB C 38 33.006 33.006 31.540 1.466 25123 2574 1 10 . 1 1 39 39 ASP N N 39 114.957 114.957 115.956 -0.999 25123 2575 1 10 . 1 1 39 39 ASP C C 39 177.285 177.285 176.312 0.973 25123 2576 1 10 . 1 1 39 39 ASP CA C 39 55.350 55.350 56.249 -0.900 25123 2577 1 10 . 1 1 39 39 ASP CB C 39 38.299 38.299 40.113 -1.814 25123 2578 1 10 . 1 1 40 40 GLN N N 40 117.762 117.762 114.839 2.923 25123 2579 1 10 . 1 1 40 40 GLN C C 40 175.906 175.906 175.332 0.574 25123 2580 1 10 . 1 1 40 40 GLN CA C 40 55.230 55.230 54.867 0.363 25123 2581 1 10 . 1 1 40 40 GLN CB C 40 29.502 29.502 29.845 -0.343 25123 2582 1 10 . 1 1 41 41 GLN N N 41 120.681 120.681 120.048 0.633 25123 2583 1 10 . 1 1 41 41 GLN C C 41 174.686 174.686 174.741 -0.055 25123 2584 1 10 . 1 1 41 41 GLN CA C 41 55.891 55.891 54.962 0.930 25123 2585 1 10 . 1 1 41 41 GLN CB C 41 30.670 30.670 30.488 0.182 25123 2586 1 10 . 1 1 42 42 ARG N N 42 125.708 125.708 125.569 0.139 25123 2587 1 10 . 1 1 42 42 ARG C C 42 173.531 173.531 174.543 -1.012 25123 2588 1 10 . 1 1 42 42 ARG CA C 42 55.148 55.148 55.032 0.116 25123 2589 1 10 . 1 1 42 42 ARG CB C 42 30.753 30.753 32.423 -1.670 25123 2590 1 10 . 1 1 43 43 LEU N N 43 126.959 126.959 122.231 4.728 25123 2591 1 10 . 1 1 43 43 LEU C C 43 175.631 175.631 175.694 -0.063 25123 2592 1 10 . 1 1 43 43 LEU CA C 43 53.257 53.257 53.313 -0.056 25123 2593 1 10 . 1 1 43 43 LEU CB C 43 47.381 47.381 45.354 2.027 25123 2594 1 10 . 1 1 44 44 ILE N N 44 119.272 119.272 118.379 0.893 25123 2595 1 10 . 1 1 44 44 ILE C C 44 176.098 176.098 174.048 2.050 25123 2596 1 10 . 1 1 44 44 ILE CA C 44 58.211 58.211 60.510 -2.299 25123 2597 1 10 . 1 1 44 44 ILE CB C 44 41.466 41.466 42.272 -0.805 25123 2598 1 10 . 1 1 45 45 PHE N N 45 123.683 123.683 125.641 -1.958 25123 2599 1 10 . 1 1 45 45 PHE C C 45 173.634 173.634 173.987 -0.353 25123 2600 1 10 . 1 1 45 45 PHE CA C 45 56.424 56.424 57.015 -0.591 25123 2601 1 10 . 1 1 45 45 PHE CB C 45 44.327 44.327 43.084 1.243 25123 2602 1 10 . 1 1 46 46 ALA N N 46 135.683 135.683 129.585 6.098 25123 2603 1 10 . 1 1 46 46 ALA C C 46 177.303 177.303 177.092 0.211 25123 2604 1 10 . 1 1 46 46 ALA CA C 46 52.154 52.154 52.446 -0.292 25123 2605 1 10 . 1 1 46 46 ALA CB C 46 16.523 16.523 16.889 -0.366 25123 2606 1 10 . 1 1 47 47 GLY N N 47 103.653 103.653 104.399 -0.746 25123 2607 1 10 . 1 1 47 47 GLY C C 47 173.479 173.479 174.900 -1.421 25123 2608 1 10 . 1 1 47 47 GLY CA C 47 45.566 45.566 45.472 0.094 25123 2609 1 10 . 1 1 48 48 LYS N N 48 122.542 122.542 123.598 -1.056 25123 2610 1 10 . 1 1 48 48 LYS C C 48 174.995 174.995 175.557 -0.562 25123 2611 1 10 . 1 1 48 48 LYS CA C 48 55.336 55.336 56.020 -0.684 25123 2612 1 10 . 1 1 48 48 LYS CB C 48 31.402 31.402 33.364 -1.962 25123 2613 1 10 . 1 1 49 49 GLN N N 49 123.910 123.910 126.048 -2.138 25123 2614 1 10 . 1 1 49 49 GLN C C 49 175.717 175.717 175.123 0.594 25123 2615 1 10 . 1 1 49 49 GLN CA C 49 55.930 55.930 55.732 0.198 25123 2616 1 10 . 1 1 49 49 GLN CB C 49 30.277 30.277 29.628 0.648 25123 2617 1 10 . 1 1 50 50 LEU N N 50 123.942 123.942 129.828 -5.886 25123 2618 1 10 . 1 1 50 50 LEU C C 50 176.418 176.418 176.433 -0.015 25123 2619 1 10 . 1 1 50 50 LEU CA C 50 54.097 54.097 55.071 -0.974 25123 2620 1 10 . 1 1 50 50 LEU CB C 50 41.271 41.271 41.546 -0.275 25123 2621 1 10 . 1 1 51 51 GLU N N 51 123.530 123.530 124.939 -1.409 25123 2622 1 10 . 1 1 51 51 GLU C C 51 177.113 177.113 177.201 -0.088 25123 2623 1 10 . 1 1 51 51 GLU CA C 51 55.885 55.885 55.407 0.478 25123 2624 1 10 . 1 1 51 51 GLU CB C 51 29.933 29.933 30.758 -0.825 25123 2625 1 10 . 1 1 52 52 ASP N N 52 118.613 118.613 119.127 -0.514 25123 2626 1 10 . 1 1 52 52 ASP C C 52 175.901 175.901 176.060 -0.159 25123 2627 1 10 . 1 1 52 52 ASP CA C 52 57.657 57.657 55.086 2.571 25123 2628 1 10 . 1 1 52 52 ASP CB C 52 39.653 39.653 39.448 0.205 25123 2629 1 10 . 1 1 53 53 GLY N N 53 100.907 100.907 107.438 -6.531 25123 2630 1 10 . 1 1 53 53 GLY C C 53 174.864 174.864 173.325 1.539 25123 2631 1 10 . 1 1 53 53 GLY CA C 53 45.569 45.569 44.338 1.231 25123 2632 1 10 . 1 1 54 54 ARG N N 54 120.839 120.839 119.583 1.256 25123 2633 1 10 . 1 1 54 54 ARG C C 54 175.028 175.028 175.610 -0.582 25123 2634 1 10 . 1 1 54 54 ARG CA C 54 53.399 53.399 55.730 -2.331 25123 2635 1 10 . 1 1 54 54 ARG CB C 54 32.641 32.641 31.639 1.002 25123 2636 1 10 . 1 1 55 55 THR N N 55 107.625 107.625 116.331 -8.706 25123 2637 1 10 . 1 1 55 55 THR C C 55 176.443 176.443 175.101 1.342 25123 2638 1 10 . 1 1 55 55 THR CA C 55 59.622 59.622 63.654 -4.032 25123 2639 1 10 . 1 1 55 55 THR CB C 55 73.519 73.519 69.450 4.069 25123 2640 1 10 . 1 1 56 56 LEU N N 56 117.418 117.418 127.896 -10.478 25123 2641 1 10 . 1 1 56 56 LEU C C 56 180.338 180.338 178.353 1.985 25123 2642 1 10 . 1 1 56 56 LEU CA C 56 58.330 58.330 56.959 1.371 25123 2643 1 10 . 1 1 56 56 LEU CB C 56 39.711 39.711 41.990 -2.280 25123 2644 1 10 . 1 1 57 57 SER N N 57 112.187 112.187 114.533 -2.346 25123 2645 1 10 . 1 1 57 57 SER C C 57 178.403 178.403 176.824 1.579 25123 2646 1 10 . 1 1 57 57 SER CA C 57 60.751 60.751 61.310 -0.559 25123 2647 1 10 . 1 1 57 57 SER CB C 57 62.656 62.656 62.681 -0.025 25123 2648 1 10 . 1 1 58 58 ASP N N 58 125.051 125.051 121.354 3.697 25123 2649 1 10 . 1 1 58 58 ASP C C 58 176.085 176.085 177.036 -0.951 25123 2650 1 10 . 1 1 58 58 ASP CA C 58 57.592 57.592 56.157 1.435 25123 2651 1 10 . 1 1 58 58 ASP CB C 58 38.834 38.834 40.916 -2.082 25123 2652 1 10 . 1 1 59 59 TYR N N 59 113.039 113.039 115.898 -2.859 25123 2653 1 10 . 1 1 59 59 TYR C C 59 175.980 175.980 175.003 0.977 25123 2654 1 10 . 1 1 59 59 TYR CA C 59 57.117 57.117 58.619 -1.502 25123 2655 1 10 . 1 1 59 59 TYR CB C 59 40.451 40.451 37.974 2.477 25123 2656 1 10 . 1 1 60 60 ASN N N 60 117.395 117.395 115.029 2.366 25123 2657 1 10 . 1 1 60 60 ASN C C 60 174.090 174.090 174.779 -0.689 25123 2658 1 10 . 1 1 60 60 ASN CA C 60 53.685 53.685 53.966 -0.281 25123 2659 1 10 . 1 1 60 60 ASN CB C 60 37.668 37.668 37.314 0.354 25123 2660 1 10 . 1 1 61 61 ILE N N 61 118.676 118.676 118.176 0.500 25123 2661 1 10 . 1 1 61 61 ILE C C 61 174.143 174.143 176.091 -1.948 25123 2662 1 10 . 1 1 61 61 ILE CA C 61 62.910 62.910 60.619 2.291 25123 2663 1 10 . 1 1 61 61 ILE CB C 61 36.447 36.447 37.299 -0.852 25123 2664 1 10 . 1 1 62 62 GLN N N 62 125.804 125.804 125.872 -0.068 25123 2665 1 10 . 1 1 62 62 GLN C C 62 175.238 175.238 176.687 -1.449 25123 2666 1 10 . 1 1 62 62 GLN CA C 62 53.591 53.591 54.616 -1.025 25123 2667 1 10 . 1 1 62 62 GLN CB C 62 32.176 32.176 30.561 1.615 25123 2668 1 10 . 1 1 63 63 LYS N N 63 119.391 119.391 121.621 -2.230 25123 2669 1 10 . 1 1 63 63 LYS C C 63 176.583 176.583 175.602 0.981 25123 2670 1 10 . 1 1 63 63 LYS CA C 63 58.439 58.439 57.991 0.448 25123 2671 1 10 . 1 1 63 63 LYS CB C 63 32.841 32.841 30.764 2.077 25123 2672 1 10 . 1 1 64 64 GLU N N 64 114.930 114.930 114.463 0.467 25123 2673 1 10 . 1 1 64 64 GLU C C 64 174.910 174.910 175.100 -0.190 25123 2674 1 10 . 1 1 64 64 GLU CA C 64 58.210 58.210 56.603 1.607 25123 2675 1 10 . 1 1 64 64 GLU CB C 64 26.087 26.087 27.145 -1.058 25123 2676 1 10 . 1 1 65 65 SER N N 65 115.678 115.678 114.415 1.263 25123 2677 1 10 . 1 1 65 65 SER C C 65 171.997 171.997 174.940 -2.943 25123 2678 1 10 . 1 1 65 65 SER CA C 65 61.259 61.259 58.591 2.668 25123 2679 1 10 . 1 1 65 65 SER CB C 65 65.081 65.081 64.594 0.487 25123 2680 1 10 . 1 1 66 66 THR N N 66 118.225 118.225 118.604 -0.379 25123 2681 1 10 . 1 1 66 66 THR C C 66 172.934 172.934 174.020 -1.086 25123 2682 1 10 . 1 1 66 66 THR CA C 66 62.542 62.542 62.414 0.128 25123 2683 1 10 . 1 1 66 66 THR CB C 66 69.996 69.996 69.654 0.342 25123 2684 1 10 . 1 1 67 67 LEU N N 67 128.926 128.926 128.101 0.825 25123 2685 1 10 . 1 1 67 67 LEU C C 67 175.489 175.489 176.042 -0.553 25123 2686 1 10 . 1 1 67 67 LEU CA C 67 53.446 53.446 53.762 -0.316 25123 2687 1 10 . 1 1 67 67 LEU CB C 67 44.469 44.469 43.481 0.988 25123 2688 1 10 . 1 1 68 68 HIS N N 68 117.795 117.795 122.099 -4.304 25123 2689 1 10 . 1 1 68 68 HIS C C 68 175.598 175.598 174.464 1.134 25123 2690 1 10 . 1 1 68 68 HIS CA C 68 54.470 54.470 55.322 -0.851 25123 2691 1 10 . 1 1 68 68 HIS CB C 68 30.406 30.406 31.177 -0.771 25123 2692 1 10 . 1 1 69 69 LEU N N 69 125.977 125.977 123.651 2.326 25123 2693 1 10 . 1 1 69 69 LEU C C 69 176.381 176.381 175.962 0.419 25123 2694 1 10 . 1 1 69 69 LEU CA C 69 55.244 55.244 53.759 1.485 25123 2695 1 10 . 1 1 69 69 LEU CB C 69 41.876 41.876 44.658 -2.782 25123 2696 1 10 . 1 1 70 70 VAL N N 70 112.216 112.216 118.617 -6.401 25123 2697 1 10 . 1 1 70 70 VAL C C 70 176.198 176.198 174.697 1.501 25123 2698 1 10 . 1 1 70 70 VAL CA C 70 58.852 58.852 61.462 -2.610 25123 2699 1 10 . 1 1 70 70 VAL CB C 70 36.273 36.273 33.303 2.970 25123 2700 1 10 . 1 1 71 71 LEU N N 71 119.738 119.738 119.169 0.569 25123 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 67 3.579 0.772 3.521 25123 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 25123 3 1 1 "Average Difference" C 69 1.206 -0.306 1.175 25123 4 1 1 "Average Difference" CA 69 1.280 0.090 1.286 25123 5 1 1 "Average Difference" CB 65 1.429 -0.063 1.439 25123 6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 25123 7 1 2 "Average Difference" N 67 3.815 0.817 3.755 25123 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 25123 9 1 2 "Average Difference" C 69 1.175 -0.277 1.150 25123 10 1 2 "Average Difference" CA 69 1.424 0.061 1.433 25123 11 1 2 "Average Difference" CB 65 1.424 -0.073 1.434 25123 12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 25123 13 1 3 "Average Difference" N 67 3.665 0.557 3.650 25123 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 25123 15 1 3 "Average Difference" C 69 1.221 -0.271 1.199 25123 16 1 3 "Average Difference" CA 69 1.385 0.126 1.390 25123 17 1 3 "Average Difference" CB 65 1.535 -0.122 1.542 25123 18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 25123 19 1 4 "Average Difference" N 67 3.588 0.789 3.527 25123 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 25123 21 1 4 "Average Difference" C 69 1.194 -0.283 1.168 25123 22 1 4 "Average Difference" CA 69 1.462 0.125 1.468 25123 23 1 4 "Average Difference" CB 65 1.463 -0.233 1.455 25123 24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 25123 25 1 5 "Average Difference" N 67 3.644 0.618 3.619 25123 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 25123 27 1 5 "Average Difference" C 69 1.246 -0.261 1.227 25123 28 1 5 "Average Difference" CA 69 1.306 0.068 1.314 25123 29 1 5 "Average Difference" CB 65 1.463 -0.171 1.465 25123 30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 25123 31 1 6 "Average Difference" N 67 3.659 0.569 3.642 25123 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 25123 33 1 6 "Average Difference" C 69 1.260 -0.211 1.252 25123 34 1 6 "Average Difference" CA 69 1.351 0.091 1.358 25123 35 1 6 "Average Difference" CB 65 1.524 -0.151 1.528 25123 36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 25123 37 1 7 "Average Difference" N 67 3.682 0.705 3.641 25123 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 25123 39 1 7 "Average Difference" C 69 1.264 -0.221 1.254 25123 40 1 7 "Average Difference" CA 69 1.237 0.026 1.245 25123 41 1 7 "Average Difference" CB 65 1.487 -0.172 1.489 25123 42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 25123 43 1 8 "Average Difference" N 67 3.469 0.797 3.402 25123 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 25123 45 1 8 "Average Difference" C 69 1.205 -0.266 1.184 25123 46 1 8 "Average Difference" CA 69 1.396 0.162 1.396 25123 47 1 8 "Average Difference" CB 65 1.415 -0.023 1.426 25123 48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 25123 49 1 9 "Average Difference" N 67 3.895 1.347 3.682 25123 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 25123 51 1 9 "Average Difference" C 69 1.189 -0.305 1.158 25123 52 1 9 "Average Difference" CA 69 1.361 0.044 1.371 25123 53 1 9 "Average Difference" CB 65 1.434 -0.069 1.444 25123 54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 25123 55 1 10 "Average Difference" N 67 3.553 0.606 3.528 25123 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 25123 57 1 10 "Average Difference" C 69 1.177 -0.279 1.152 25123 58 1 10 "Average Difference" CA 69 1.372 0.049 1.381 25123 59 1 10 "Average Difference" CB 65 1.475 -0.108 1.483 25123 60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 25123 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 25123 _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 GLN N N 2 124.995 124.995 118.797 6.199 25123 2 1 . 1 1 2 2 GLN C C 2 175.129 175.129 175.151 -0.022 25123 3 1 . 1 1 2 2 GLN CA C 2 54.151 54.151 54.989 -0.838 25123 4 1 . 1 1 2 2 GLN CB C 2 31.512 31.512 31.309 0.203 25123 5 1 . 1 1 3 3 ILE N N 3 115.187 115.187 118.958 -3.771 25123 6 1 . 1 1 3 3 ILE C C 3 172.341 172.341 174.121 -1.780 25123 7 1 . 1 1 3 3 ILE CA C 3 58.782 58.782 60.427 -1.645 25123 8 1 . 1 1 3 3 ILE CB C 3 41.724 41.724 41.929 -0.205 25123 9 1 . 1 1 4 4 PHE N N 4 119.217 119.217 125.264 -6.047 25123 10 1 . 1 1 4 4 PHE C C 4 175.271 175.271 173.284 1.987 25123 11 1 . 1 1 4 4 PHE CA C 4 54.724 54.724 55.510 -0.785 25123 12 1 . 1 1 4 4 PHE CB C 4 41.420 41.420 42.342 -0.922 25123 13 1 . 1 1 5 5 VAL N N 5 120.981 120.981 124.189 -3.208 25123 14 1 . 1 1 5 5 VAL C C 5 175.475 175.475 173.745 1.730 25123 15 1 . 1 1 5 5 VAL CA C 5 59.985 59.985 60.667 -0.682 25123 16 1 . 1 1 5 5 VAL CB C 5 34.746 34.746 35.280 -0.534 25123 17 1 . 1 1 6 6 LYS N N 6 126.148 126.148 125.854 0.294 25123 18 1 . 1 1 6 6 LYS C C 6 177.162 177.162 175.890 1.272 25123 19 1 . 1 1 6 6 LYS CA C 6 53.411 53.411 54.934 -1.523 25123 20 1 . 1 1 6 6 LYS CB C 6 33.816 33.816 34.468 -0.652 25123 21 1 . 1 1 7 7 THR N N 7 112.835 112.835 116.963 -4.128 25123 22 1 . 1 1 7 7 THR C C 7 177.658 177.658 176.263 1.395 25123 23 1 . 1 1 7 7 THR CA C 7 60.275 60.275 60.354 -0.079 25123 24 1 . 1 1 7 7 THR CB C 7 70.196 70.196 70.575 -0.379 25123 25 1 . 1 1 8 8 LEU N N 8 119.266 119.266 121.344 -2.079 25123 26 1 . 1 1 8 8 LEU C C 8 177.371 177.371 177.254 0.117 25123 27 1 . 1 1 8 8 LEU CA C 8 57.281 57.281 57.181 0.101 25123 28 1 . 1 1 8 8 LEU CB C 8 42.393 42.393 41.490 0.903 25123 29 1 . 1 1 9 9 THR N N 9 102.533 102.533 110.658 -8.125 25123 30 1 . 1 1 9 9 THR C C 9 175.626 175.626 175.711 -0.085 25123 31 1 . 1 1 9 9 THR CA C 9 60.939 60.939 62.008 -1.069 25123 32 1 . 1 1 9 9 THR CB C 9 69.319 69.319 68.989 0.330 25123 33 1 . 1 1 10 10 GLY N N 10 109.378 109.378 110.528 -1.150 25123 34 1 . 1 1 10 10 GLY C C 10 173.399 173.399 174.131 -0.732 25123 35 1 . 1 1 10 10 GLY CA C 10 44.919 44.919 45.346 -0.428 25123 36 1 . 1 1 11 11 LYS N N 11 122.170 122.170 121.813 0.357 25123 37 1 . 1 1 11 11 LYS C C 11 175.345 175.345 175.964 -0.619 25123 38 1 . 1 1 11 11 LYS CA C 11 56.455 56.455 55.922 0.533 25123 39 1 . 1 1 11 11 LYS CB C 11 32.909 32.909 33.278 -0.369 25123 40 1 . 1 1 12 12 THR N N 12 119.755 119.755 119.777 -0.022 25123 41 1 . 1 1 12 12 THR C C 12 174.369 174.369 174.182 0.187 25123 42 1 . 1 1 12 12 THR CA C 12 62.752 62.752 62.549 0.203 25123 43 1 . 1 1 12 12 THR CB C 12 69.600 69.600 69.176 0.424 25123 44 1 . 1 1 13 13 ILE N N 13 128.577 128.577 129.406 -0.829 25123 45 1 . 1 1 13 13 ILE C C 13 175.206 175.206 173.910 1.296 25123 46 1 . 1 1 13 13 ILE CA C 13 59.786 59.786 60.105 -0.319 25123 47 1 . 1 1 13 13 ILE CB C 13 40.425 40.425 40.273 0.152 25123 48 1 . 1 1 14 14 THR N N 14 124.443 124.443 122.124 2.319 25123 49 1 . 1 1 14 14 THR C C 14 174.021 174.021 173.858 0.163 25123 50 1 . 1 1 14 14 THR CA C 14 62.575 62.575 60.557 2.018 25123 51 1 . 1 1 14 14 THR CB C 14 69.456 69.456 70.439 -0.983 25123 52 1 . 1 1 15 15 LEU N N 15 125.201 125.201 123.784 1.417 25123 53 1 . 1 1 15 15 LEU C C 15 174.061 174.061 175.973 -1.912 25123 54 1 . 1 1 15 15 LEU CA C 15 52.527 52.527 53.477 -0.950 25123 55 1 . 1 1 15 15 LEU CB C 15 46.336 46.336 44.005 2.331 25123 56 1 . 1 1 16 16 GLU N N 16 123.386 123.386 122.323 1.063 25123 57 1 . 1 1 16 16 GLU C C 16 175.078 175.078 174.864 0.214 25123 58 1 . 1 1 16 16 GLU CA C 16 54.227 54.227 55.996 -1.769 25123 59 1 . 1 1 16 16 GLU CB C 16 30.420 30.420 30.007 0.413 25123 60 1 . 1 1 17 17 VAL N N 17 118.752 118.752 123.142 -4.390 25123 61 1 . 1 1 17 17 VAL C C 17 175.053 175.053 173.803 1.250 25123 62 1 . 1 1 17 17 VAL CA C 17 58.614 58.614 59.696 -1.082 25123 63 1 . 1 1 17 17 VAL CB C 17 36.538 36.538 35.316 1.222 25123 64 1 . 1 1 18 18 GLU N N 18 119.002 119.002 122.072 -3.070 25123 65 1 . 1 1 18 18 GLU C C 18 175.268 175.268 175.298 -0.030 25123 66 1 . 1 1 18 18 GLU CA C 18 54.699 54.699 53.723 0.976 25123 67 1 . 1 1 18 18 GLU CB C 18 29.855 29.855 28.911 0.944 25123 68 1 . 1 1 19 19 PRO C C 19 177.480 177.480 176.703 0.777 25123 69 1 . 1 1 19 19 PRO CA C 19 65.786 65.786 64.338 1.448 25123 70 1 . 1 1 19 19 PRO CB C 19 32.203 32.203 31.863 0.340 25123 71 1 . 1 1 20 20 SER N N 20 108.760 108.760 112.237 -3.477 25123 72 1 . 1 1 20 20 SER C C 20 173.331 173.331 174.284 -0.953 25123 73 1 . 1 1 20 20 SER CA C 20 57.116 57.116 59.332 -2.216 25123 74 1 . 1 1 20 20 SER CB C 20 61.298 61.298 63.263 -1.965 25123 75 1 . 1 1 21 21 ASP N N 21 122.289 122.289 120.738 1.551 25123 76 1 . 1 1 21 21 ASP C C 21 176.559 176.559 175.175 1.384 25123 77 1 . 1 1 21 21 ASP CA C 21 56.652 56.652 55.333 1.319 25123 78 1 . 1 1 21 21 ASP CB C 21 38.542 38.542 39.452 -0.910 25123 79 1 . 1 1 22 22 THR N N 22 106.584 106.584 109.873 -3.288 25123 80 1 . 1 1 22 22 THR C C 22 176.291 176.291 176.371 -0.080 25123 81 1 . 1 1 22 22 THR CA C 22 59.648 59.648 60.765 -1.117 25123 82 1 . 1 1 22 22 THR CB C 22 70.782 70.782 70.445 0.337 25123 83 1 . 1 1 23 23 ILE N N 23 121.744 121.744 125.931 -4.187 25123 84 1 . 1 1 23 23 ILE C C 23 179.237 179.237 177.766 1.471 25123 85 1 . 1 1 23 23 ILE CA C 23 61.844 61.844 65.188 -3.344 25123 86 1 . 1 1 23 23 ILE CB C 23 33.283 33.283 36.515 -3.232 25123 87 1 . 1 1 24 24 GLU N N 24 123.433 123.433 119.366 4.067 25123 88 1 . 1 1 24 24 GLU C C 24 178.873 178.873 178.591 0.282 25123 89 1 . 1 1 24 24 GLU CA C 24 58.974 58.974 59.660 -0.686 25123 90 1 . 1 1 24 24 GLU CB C 24 30.615 30.615 28.893 1.722 25123 91 1 . 1 1 25 25 ASN N N 25 121.016 121.016 117.594 3.422 25123 92 1 . 1 1 25 25 ASN C C 25 180.408 180.408 177.784 2.624 25123 93 1 . 1 1 25 25 ASN CA C 25 55.296 55.296 55.786 -0.490 25123 94 1 . 1 1 25 25 ASN CB C 25 36.619 36.619 38.839 -2.220 25123 95 1 . 1 1 26 26 VAL N N 26 124.407 124.407 120.924 3.483 25123 96 1 . 1 1 26 26 VAL C C 26 177.380 177.380 177.693 -0.313 25123 97 1 . 1 1 26 26 VAL CA C 26 67.722 67.722 66.345 1.377 25123 98 1 . 1 1 26 26 VAL CB C 26 30.996 30.996 31.578 -0.582 25123 99 1 . 1 1 27 27 LYS N N 27 119.991 119.991 119.804 0.187 25123 100 1 . 1 1 27 27 LYS C C 27 180.822 180.822 178.562 2.260 25123 101 1 . 1 1 27 27 LYS CA C 27 58.952 58.952 59.603 -0.651 25123 102 1 . 1 1 27 27 LYS CB C 27 34.687 34.687 31.655 3.032 25123 103 1 . 1 1 28 28 ALA N N 28 122.173 122.173 120.816 1.357 25123 104 1 . 1 1 28 28 ALA C C 28 179.943 179.943 179.415 0.528 25123 105 1 . 1 1 28 28 ALA CA C 28 54.994 54.994 55.201 -0.208 25123 106 1 . 1 1 28 28 ALA CB C 28 18.446 18.446 18.295 0.150 25123 107 1 . 1 1 29 29 LYS N N 29 118.608 118.608 118.951 -0.342 25123 108 1 . 1 1 29 29 LYS C C 29 180.778 180.778 178.979 1.799 25123 109 1 . 1 1 29 29 LYS CA C 29 59.260 59.260 59.304 -0.044 25123 110 1 . 1 1 29 29 LYS CB C 29 33.897 33.897 32.319 1.578 25123 111 1 . 1 1 30 30 ILE N N 30 122.662 122.662 119.697 2.965 25123 112 1 . 1 1 30 30 ILE C C 30 177.453 177.453 178.006 -0.553 25123 113 1 . 1 1 30 30 ILE CA C 30 66.346 66.346 63.399 2.947 25123 114 1 . 1 1 30 30 ILE CB C 30 36.850 36.850 36.894 -0.044 25123 115 1 . 1 1 31 31 GLN N N 31 122.791 122.791 120.266 2.525 25123 116 1 . 1 1 31 31 GLN C C 31 179.163 179.163 178.345 0.818 25123 117 1 . 1 1 31 31 GLN CA C 31 59.483 59.483 58.802 0.681 25123 118 1 . 1 1 31 31 GLN CB C 31 28.051 28.051 28.568 -0.517 25123 119 1 . 1 1 32 32 ASP N N 32 121.376 121.376 119.702 1.674 25123 120 1 . 1 1 32 32 ASP C C 32 177.594 177.594 178.275 -0.681 25123 121 1 . 1 1 32 32 ASP CA C 32 57.854 57.854 56.721 1.133 25123 122 1 . 1 1 32 32 ASP CB C 32 38.739 38.739 40.748 -2.009 25123 123 1 . 1 1 33 33 LYS N N 33 119.963 119.963 118.553 1.410 25123 124 1 . 1 1 33 33 LYS C C 33 178.061 178.061 177.373 0.688 25123 125 1 . 1 1 33 33 LYS CA C 33 59.494 59.494 58.012 1.482 25123 126 1 . 1 1 33 33 LYS CB C 33 34.403 34.403 33.038 1.365 25123 127 1 . 1 1 34 34 GLU N N 34 112.029 112.029 116.303 -4.274 25123 128 1 . 1 1 34 34 GLU C C 34 177.386 177.386 175.022 2.364 25123 129 1 . 1 1 34 34 GLU CA C 34 55.006 55.006 55.046 -0.040 25123 130 1 . 1 1 34 34 GLU CB C 34 33.307 33.307 33.604 -0.297 25123 131 1 . 1 1 35 35 GLY N N 35 109.223 109.223 109.383 -0.159 25123 132 1 . 1 1 35 35 GLY C C 35 173.934 173.934 173.547 0.387 25123 133 1 . 1 1 35 35 GLY CA C 35 45.964 45.964 45.543 0.420 25123 134 1 . 1 1 36 36 ILE N N 36 119.661 119.661 122.882 -3.221 25123 135 1 . 1 1 36 36 ILE C C 36 173.453 173.453 173.186 0.267 25123 136 1 . 1 1 36 36 ILE CA C 36 57.734 57.734 57.463 0.271 25123 137 1 . 1 1 36 36 ILE CB C 36 40.420 40.420 41.279 -0.859 25123 138 1 . 1 1 37 37 PRO C C 37 176.699 176.699 175.963 0.736 25123 139 1 . 1 1 37 37 PRO CA C 37 61.756 61.756 61.469 0.287 25123 140 1 . 1 1 37 37 PRO CB C 37 32.060 32.060 31.254 0.806 25123 141 1 . 1 1 38 38 PRO C C 38 178.414 178.414 178.236 0.179 25123 142 1 . 1 1 38 38 PRO CA C 38 66.435 66.435 65.390 1.045 25123 143 1 . 1 1 38 38 PRO CB C 38 33.006 33.006 31.724 1.281 25123 144 1 . 1 1 39 39 ASP N N 39 114.957 114.957 116.152 -1.195 25123 145 1 . 1 1 39 39 ASP C C 39 177.285 177.285 176.942 0.342 25123 146 1 . 1 1 39 39 ASP CA C 39 55.350 55.350 56.228 -0.878 25123 147 1 . 1 1 39 39 ASP CB C 39 38.299 38.299 39.775 -1.476 25123 148 1 . 1 1 40 40 GLN N N 40 117.762 117.762 115.857 1.905 25123 149 1 . 1 1 40 40 GLN C C 40 175.906 175.906 175.185 0.721 25123 150 1 . 1 1 40 40 GLN CA C 40 55.230 55.230 55.314 -0.084 25123 151 1 . 1 1 40 40 GLN CB C 40 29.502 29.502 29.672 -0.170 25123 152 1 . 1 1 41 41 GLN N N 41 120.681 120.681 119.959 0.722 25123 153 1 . 1 1 41 41 GLN C C 41 174.686 174.686 174.614 0.072 25123 154 1 . 1 1 41 41 GLN CA C 41 55.891 55.891 55.098 0.793 25123 155 1 . 1 1 41 41 GLN CB C 41 30.670 30.670 29.996 0.674 25123 156 1 . 1 1 42 42 ARG N N 42 125.708 125.708 123.828 1.880 25123 157 1 . 1 1 42 42 ARG C C 42 173.531 173.531 174.739 -1.208 25123 158 1 . 1 1 42 42 ARG CA C 42 55.148 55.148 55.109 0.039 25123 159 1 . 1 1 42 42 ARG CB C 42 30.753 30.753 32.566 -1.813 25123 160 1 . 1 1 43 43 LEU N N 43 126.959 126.959 121.815 5.144 25123 161 1 . 1 1 43 43 LEU C C 43 175.631 175.631 175.585 0.046 25123 162 1 . 1 1 43 43 LEU CA C 43 53.257 53.257 53.413 -0.155 25123 163 1 . 1 1 43 43 LEU CB C 43 47.381 47.381 45.277 2.104 25123 164 1 . 1 1 44 44 ILE N N 44 119.272 119.272 118.361 0.911 25123 165 1 . 1 1 44 44 ILE C C 44 176.098 176.098 173.835 2.263 25123 166 1 . 1 1 44 44 ILE CA C 44 58.211 58.211 60.070 -1.859 25123 167 1 . 1 1 44 44 ILE CB C 44 41.466 41.466 42.011 -0.544 25123 168 1 . 1 1 45 45 PHE N N 45 123.683 123.683 126.338 -2.655 25123 169 1 . 1 1 45 45 PHE C C 45 173.634 173.634 174.382 -0.748 25123 170 1 . 1 1 45 45 PHE CA C 45 56.424 56.424 56.387 0.037 25123 171 1 . 1 1 45 45 PHE CB C 45 44.327 44.327 42.616 1.711 25123 172 1 . 1 1 46 46 ALA N N 46 135.683 135.683 129.738 5.945 25123 173 1 . 1 1 46 46 ALA C C 46 177.303 177.303 177.239 0.064 25123 174 1 . 1 1 46 46 ALA CA C 46 52.154 52.154 52.604 -0.449 25123 175 1 . 1 1 46 46 ALA CB C 46 16.523 16.523 16.461 0.063 25123 176 1 . 1 1 47 47 GLY N N 47 103.653 103.653 103.647 0.006 25123 177 1 . 1 1 47 47 GLY C C 47 173.479 173.479 174.809 -1.330 25123 178 1 . 1 1 47 47 GLY CA C 47 45.566 45.566 45.241 0.325 25123 179 1 . 1 1 48 48 LYS N N 48 122.542 122.542 123.944 -1.402 25123 180 1 . 1 1 48 48 LYS C C 48 174.995 174.995 175.920 -0.925 25123 181 1 . 1 1 48 48 LYS CA C 48 55.336 55.336 55.845 -0.508 25123 182 1 . 1 1 48 48 LYS CB C 48 31.402 31.402 32.989 -1.587 25123 183 1 . 1 1 49 49 GLN N N 49 123.910 123.910 124.562 -0.652 25123 184 1 . 1 1 49 49 GLN C C 49 175.717 175.717 175.270 0.447 25123 185 1 . 1 1 49 49 GLN CA C 49 55.930 55.930 55.508 0.422 25123 186 1 . 1 1 49 49 GLN CB C 49 30.277 30.277 29.097 1.180 25123 187 1 . 1 1 50 50 LEU N N 50 123.942 123.942 127.918 -3.976 25123 188 1 . 1 1 50 50 LEU C C 50 176.418 176.418 176.532 -0.114 25123 189 1 . 1 1 50 50 LEU CA C 50 54.097 54.097 54.953 -0.856 25123 190 1 . 1 1 50 50 LEU CB C 50 41.271 41.271 41.716 -0.445 25123 191 1 . 1 1 51 51 GLU N N 51 123.530 123.530 124.442 -0.912 25123 192 1 . 1 1 51 51 GLU C C 51 177.113 177.113 176.877 0.236 25123 193 1 . 1 1 51 51 GLU CA C 51 55.885 55.885 55.904 -0.019 25123 194 1 . 1 1 51 51 GLU CB C 51 29.933 29.933 30.520 -0.587 25123 195 1 . 1 1 52 52 ASP N N 52 118.613 118.613 119.034 -0.421 25123 196 1 . 1 1 52 52 ASP C C 52 175.901 175.901 176.102 -0.201 25123 197 1 . 1 1 52 52 ASP CA C 52 57.657 57.657 55.198 2.458 25123 198 1 . 1 1 52 52 ASP CB C 52 39.653 39.653 39.936 -0.283 25123 199 1 . 1 1 53 53 GLY N N 53 100.907 100.907 104.985 -4.078 25123 200 1 . 1 1 53 53 GLY C C 53 174.864 174.864 173.730 1.134 25123 201 1 . 1 1 53 53 GLY CA C 53 45.569 45.569 44.496 1.073 25123 202 1 . 1 1 54 54 ARG N N 54 120.839 120.839 119.545 1.294 25123 203 1 . 1 1 54 54 ARG C C 54 175.028 175.028 176.044 -1.016 25123 204 1 . 1 1 54 54 ARG CA C 54 53.399 53.399 55.400 -2.001 25123 205 1 . 1 1 54 54 ARG CB C 54 32.641 32.641 31.469 1.172 25123 206 1 . 1 1 55 55 THR N N 55 107.625 107.625 116.791 -9.166 25123 207 1 . 1 1 55 55 THR C C 55 176.443 176.443 175.130 1.313 25123 208 1 . 1 1 55 55 THR CA C 55 59.622 59.622 63.825 -4.203 25123 209 1 . 1 1 55 55 THR CB C 55 73.519 73.519 69.490 4.029 25123 210 1 . 1 1 56 56 LEU N N 56 117.418 117.418 127.549 -10.131 25123 211 1 . 1 1 56 56 LEU C C 56 180.338 180.338 178.402 1.936 25123 212 1 . 1 1 56 56 LEU CA C 56 58.330 58.330 57.102 1.228 25123 213 1 . 1 1 56 56 LEU CB C 56 39.711 39.711 41.898 -2.187 25123 214 1 . 1 1 57 57 SER N N 57 112.187 112.187 114.688 -2.501 25123 215 1 . 1 1 57 57 SER C C 57 178.403 178.403 176.494 1.909 25123 216 1 . 1 1 57 57 SER CA C 57 60.751 60.751 61.430 -0.679 25123 217 1 . 1 1 57 57 SER CB C 57 62.656 62.656 62.783 -0.127 25123 218 1 . 1 1 58 58 ASP N N 58 125.051 125.051 120.365 4.686 25123 219 1 . 1 1 58 58 ASP C C 58 176.085 176.085 177.023 -0.938 25123 220 1 . 1 1 58 58 ASP CA C 58 57.592 57.592 56.123 1.469 25123 221 1 . 1 1 58 58 ASP CB C 58 38.834 38.834 40.697 -1.863 25123 222 1 . 1 1 59 59 TYR N N 59 113.039 113.039 116.700 -3.661 25123 223 1 . 1 1 59 59 TYR C C 59 175.980 175.980 174.882 1.098 25123 224 1 . 1 1 59 59 TYR CA C 59 57.117 57.117 58.705 -1.588 25123 225 1 . 1 1 59 59 TYR CB C 59 40.451 40.451 38.391 2.060 25123 226 1 . 1 1 60 60 ASN N N 60 117.395 117.395 115.401 1.994 25123 227 1 . 1 1 60 60 ASN C C 60 174.090 174.090 174.748 -0.658 25123 228 1 . 1 1 60 60 ASN CA C 60 53.685 53.685 53.941 -0.256 25123 229 1 . 1 1 60 60 ASN CB C 60 37.668 37.668 37.151 0.517 25123 230 1 . 1 1 61 61 ILE N N 61 118.676 118.676 118.551 0.125 25123 231 1 . 1 1 61 61 ILE C C 61 174.143 174.143 176.109 -1.966 25123 232 1 . 1 1 61 61 ILE CA C 61 62.910 62.910 61.128 1.782 25123 233 1 . 1 1 61 61 ILE CB C 61 36.447 36.447 37.055 -0.608 25123 234 1 . 1 1 62 62 GLN N N 62 125.804 125.804 126.264 -0.460 25123 235 1 . 1 1 62 62 GLN C C 62 175.238 175.238 176.623 -1.385 25123 236 1 . 1 1 62 62 GLN CA C 62 53.591 53.591 54.525 -0.934 25123 237 1 . 1 1 62 62 GLN CB C 62 32.176 32.176 30.283 1.893 25123 238 1 . 1 1 63 63 LYS N N 63 119.391 119.391 121.413 -2.022 25123 239 1 . 1 1 63 63 LYS C C 63 176.583 176.583 175.611 0.972 25123 240 1 . 1 1 63 63 LYS CA C 63 58.439 58.439 57.778 0.661 25123 241 1 . 1 1 63 63 LYS CB C 63 32.841 32.841 30.517 2.324 25123 242 1 . 1 1 64 64 GLU N N 64 114.930 114.930 114.372 0.558 25123 243 1 . 1 1 64 64 GLU C C 64 174.910 174.910 175.154 -0.244 25123 244 1 . 1 1 64 64 GLU CA C 64 58.210 58.210 56.601 1.609 25123 245 1 . 1 1 64 64 GLU CB C 64 26.087 26.087 27.081 -0.994 25123 246 1 . 1 1 65 65 SER N N 65 115.678 115.678 114.702 0.976 25123 247 1 . 1 1 65 65 SER C C 65 171.997 171.997 174.660 -2.663 25123 248 1 . 1 1 65 65 SER CA C 65 61.259 61.259 59.194 2.065 25123 249 1 . 1 1 65 65 SER CB C 65 65.081 65.081 64.311 0.770 25123 250 1 . 1 1 66 66 THR N N 66 118.225 118.225 116.943 1.282 25123 251 1 . 1 1 66 66 THR C C 66 172.934 172.934 174.391 -1.457 25123 252 1 . 1 1 66 66 THR CA C 66 62.542 62.542 62.046 0.496 25123 253 1 . 1 1 66 66 THR CB C 66 69.996 69.996 69.407 0.589 25123 254 1 . 1 1 67 67 LEU N N 67 128.926 128.926 128.829 0.097 25123 255 1 . 1 1 67 67 LEU C C 67 175.489 175.489 176.161 -0.672 25123 256 1 . 1 1 67 67 LEU CA C 67 53.446 53.446 53.700 -0.254 25123 257 1 . 1 1 67 67 LEU CB C 67 44.469 44.469 43.377 1.092 25123 258 1 . 1 1 68 68 HIS N N 68 117.795 117.795 121.857 -4.062 25123 259 1 . 1 1 68 68 HIS C C 68 175.598 175.598 174.267 1.331 25123 260 1 . 1 1 68 68 HIS CA C 68 54.470 54.470 55.485 -1.015 25123 261 1 . 1 1 68 68 HIS CB C 68 30.406 30.406 31.361 -0.955 25123 262 1 . 1 1 69 69 LEU N N 69 125.977 125.977 124.646 1.331 25123 263 1 . 1 1 69 69 LEU C C 69 176.381 176.381 175.649 0.732 25123 264 1 . 1 1 69 69 LEU CA C 69 55.244 55.244 53.815 1.429 25123 265 1 . 1 1 69 69 LEU CB C 69 41.876 41.876 43.793 -1.917 25123 266 1 . 1 1 70 70 VAL N N 70 112.216 112.216 120.503 -8.287 25123 267 1 . 1 1 70 70 VAL C C 70 176.198 176.198 175.210 0.988 25123 268 1 . 1 1 70 70 VAL CA C 70 58.852 58.852 61.081 -2.229 25123 269 1 . 1 1 70 70 VAL CB C 70 36.273 36.273 34.053 2.220 25123 270 1 . 1 1 71 71 LEU N N 71 119.738 119.738 122.298 -2.560 25123 stop_ save_