data_16300_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16300
_Entry.PDB_ID 1XQ8
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_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.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 3 3 VAL H H 3 8.236 8.492 -0.256 1
1 2 . 1 1 1 A 3 3 VAL C C 3 176.026 177.769 -1.743 1
1 3 . 1 1 1 A 3 3 VAL CA C 3 62.157 65.674 -3.517 1
1 4 . 1 1 1 A 3 3 VAL CB C 3 31.469 31.449 0.020 1
1 5 . 1 1 1 A 3 3 VAL N N 3 120.839 125.198 -4.359 1
1 6 . 1 1 1 A 4 4 PHE H H 4 8.342 7.797 0.545 1
1 7 . 1 1 1 A 4 4 PHE C C 4 175.906 178.378 -2.472 1
1 8 . 1 1 1 A 4 4 PHE CA C 4 57.641 60.756 -3.115 1
1 9 . 1 1 1 A 4 4 PHE CB C 4 38.549 38.800 -0.251 1
1 10 . 1 1 1 A 4 4 PHE N N 4 123.864 119.696 4.168 1
1 11 . 1 1 1 A 5 5 MET H H 5 8.230 8.104 0.126 1
1 12 . 1 1 1 A 5 5 MET C C 5 176.026 178.865 -2.839 1
1 13 . 1 1 1 A 5 5 MET CA C 5 55.023 59.258 -4.235 1
1 14 . 1 1 1 A 5 5 MET CB C 5 31.469 32.684 -1.215 1
1 15 . 1 1 1 A 5 5 MET N N 5 122.745 117.836 4.909 1
1 16 . 1 1 1 A 6 6 LYS H H 6 8.282 7.671 0.611 1
1 17 . 1 1 1 A 6 6 LYS C C 6 177.223 179.264 -2.041 1
1 18 . 1 1 1 A 6 6 LYS CA C 6 56.519 59.313 -2.794 1
1 19 . 1 1 1 A 6 6 LYS CB C 6 31.682 32.320 -0.638 1
1 20 . 1 1 1 A 6 6 LYS N N 6 123.066 119.038 4.028 1
1 21 . 1 1 1 A 7 7 GLY H H 7 8.409 7.876 0.533 1
1 22 . 1 1 1 A 7 7 GLY C C 7 174.130 175.649 -1.519 1
1 23 . 1 1 1 A 7 7 GLY CA C 7 44.843 46.953 -2.110 1
1 24 . 1 1 1 A 7 7 GLY N N 7 110.321 107.359 2.962 1
1 25 . 1 1 1 A 8 8 LEU H H 8 8.074 8.061 0.013 1
1 26 . 1 1 1 A 8 8 LEU C C 8 177.676 178.405 -0.729 1
1 27 . 1 1 1 A 8 8 LEU CA C 8 54.756 57.493 -2.737 1
1 28 . 1 1 1 A 8 8 LEU CB C 8 41.210 41.716 -0.506 1
1 29 . 1 1 1 A 8 8 LEU N N 8 122.165 123.898 -1.733 1
1 30 . 1 1 1 A 9 9 SER H H 9 8.337 8.496 -0.159 1
1 31 . 1 1 1 A 9 9 SER C C 9 174.562 176.907 -2.345 1
1 32 . 1 1 1 A 9 9 SER CA C 9 58.069 60.954 -2.885 1
1 33 . 1 1 1 A 9 9 SER CB C 9 63.353 63.056 0.297 1
1 34 . 1 1 1 A 9 9 SER N N 9 117.300 114.558 2.742 1
1 35 . 1 1 1 A 10 10 LYS H H 10 8.461 7.807 0.654 1
1 36 . 1 1 1 A 10 10 LYS C C 10 176.558 178.413 -1.855 1
1 37 . 1 1 1 A 10 10 LYS CA C 10 56.092 58.887 -2.795 1
1 38 . 1 1 1 A 10 10 LYS CB C 10 31.469 32.296 -0.827 1
1 39 . 1 1 1 A 10 10 LYS N N 10 124.343 121.540 2.803 1
1 40 . 1 1 1 A 11 11 ALA H H 11 8.322 7.687 0.635 1
1 41 . 1 1 1 A 11 11 ALA C C 11 177.942 179.095 -1.153 1
1 42 . 1 1 1 A 11 11 ALA CA C 11 52.218 55.476 -3.258 1
1 43 . 1 1 1 A 11 11 ALA CB C 11 18.109 18.413 -0.304 1
1 44 . 1 1 1 A 11 11 ALA N N 11 125.811 121.809 4.002 1
1 45 . 1 1 1 A 12 12 LYS H H 12 8.361 7.724 0.637 1
1 46 . 1 1 1 A 12 12 LYS C C 12 176.748 178.438 -1.690 1
1 47 . 1 1 1 A 12 12 LYS CA C 12 56.012 59.650 -3.638 1
1 48 . 1 1 1 A 12 12 LYS CB C 12 31.842 32.226 -0.384 1
1 49 . 1 1 1 A 12 12 LYS N N 12 121.458 118.425 3.033 1
1 50 . 1 1 1 A 13 13 GLU H H 13 8.453 7.724 0.729 1
1 51 . 1 1 1 A 13 13 GLU C C 13 177.117 179.026 -1.909 1
1 52 . 1 1 1 A 13 13 GLU CA C 13 56.306 59.487 -3.181 1
1 53 . 1 1 1 A 13 13 GLU N N 13 122.699 119.358 3.341 1
1 54 . 1 1 1 A 14 14 GLY H H 14 8.461 8.149 0.312 1
1 55 . 1 1 1 A 14 14 GLY C C 14 173.950 175.572 -1.622 1
1 56 . 1 1 1 A 14 14 GLY CA C 14 44.816 47.129 -2.313 1
1 57 . 1 1 1 A 14 14 GLY N N 14 110.547 107.691 2.856 1
1 58 . 1 1 1 A 15 15 VAL H H 15 8.001 8.306 -0.305 1
1 59 . 1 1 1 A 15 15 VAL C C 15 176.545 178.384 -1.839 1
1 60 . 1 1 1 A 15 15 VAL CA C 15 62.184 65.894 -3.710 1
1 61 . 1 1 1 A 15 15 VAL CB C 15 31.576 31.858 -0.282 1
1 62 . 1 1 1 A 15 15 VAL N N 15 120.839 122.540 -1.701 1
1 63 . 1 1 1 A 16 16 VAL H H 16 8.307 8.056 0.251 1
1 64 . 1 1 1 A 16 16 VAL C C 16 176.026 177.694 -1.668 1
1 65 . 1 1 1 A 16 16 VAL CA C 16 61.997 66.397 -4.400 1
1 66 . 1 1 1 A 16 16 VAL CB C 16 31.629 31.374 0.255 1
1 67 . 1 1 1 A 16 16 VAL N N 16 125.803 120.984 4.819 1
1 68 . 1 1 1 A 17 17 ALA H H 17 8.465 8.313 0.152 1
1 69 . 1 1 1 A 17 17 ALA C C 17 177.742 179.756 -2.014 1
1 70 . 1 1 1 A 17 17 ALA CA C 17 52.111 55.657 -3.546 1
1 71 . 1 1 1 A 17 17 ALA CB C 17 18.162 17.825 0.337 1
1 72 . 1 1 1 A 17 17 ALA N N 17 128.876 121.998 6.878 1
1 73 . 1 1 1 A 18 18 ALA H H 18 8.331 8.225 0.106 1
1 74 . 1 1 1 A 18 18 ALA C C 18 177.919 179.495 -1.576 1
1 75 . 1 1 1 A 18 18 ALA CA C 18 52.244 54.820 -2.576 1
1 76 . 1 1 1 A 18 18 ALA CB C 18 18.109 18.381 -0.272 1
1 77 . 1 1 1 A 18 18 ALA N N 18 124.154 119.967 4.187 1
1 78 . 1 1 1 A 19 19 ALA H H 19 8.292 7.921 0.371 1
1 79 . 1 1 1 A 19 19 ALA C C 19 178.235 180.202 -1.967 1
1 80 . 1 1 1 A 19 19 ALA CA C 19 52.298 55.430 -3.132 1
1 81 . 1 1 1 A 19 19 ALA CB C 19 18.109 18.132 -0.023 1
1 82 . 1 1 1 A 19 19 ALA N N 19 123.615 120.614 3.001 1
1 83 . 1 1 1 A 20 20 GLU H H 20 8.347 7.966 0.381 1
1 84 . 1 1 1 A 20 20 GLU C C 20 176.993 178.938 -1.945 1
1 85 . 1 1 1 A 20 20 GLU CA C 20 56.332 59.575 -3.243 1
1 86 . 1 1 1 A 20 20 GLU CB C 20 29.180 29.245 -0.065 1
1 87 . 1 1 1 A 20 20 GLU N N 20 120.715 118.103 2.612 1
1 88 . 1 1 1 A 21 21 LYS H H 21 8.359 7.447 0.912 1
1 89 . 1 1 1 A 21 21 LYS C C 21 177.197 179.114 -1.917 1
1 90 . 1 1 1 A 21 21 LYS CA C 21 56.306 59.050 -2.744 1
1 91 . 1 1 1 A 21 21 LYS CB C 21 31.788 32.285 -0.497 1
1 92 . 1 1 1 A 21 21 LYS N N 21 122.869 121.143 1.726 1
1 93 . 1 1 1 A 22 22 THR H H 22 8.157 8.777 -0.620 1
1 94 . 1 1 1 A 22 22 THR C C 22 174.695 176.274 -1.579 1
1 95 . 1 1 1 A 22 22 THR CA C 22 61.917 66.790 -4.873 1
1 96 . 1 1 1 A 22 22 THR CB C 22 69.208 68.315 0.893 1
1 97 . 1 1 1 A 22 22 THR N N 22 115.909 115.600 0.309 1
1 98 . 1 1 1 A 23 23 LYS H H 23 8.370 8.528 -0.158 1
1 99 . 1 1 1 A 23 23 LYS C C 23 176.759 177.912 -1.153 1
1 100 . 1 1 1 A 23 23 LYS CA C 23 56.252 58.966 -2.714 1
1 101 . 1 1 1 A 23 23 LYS CB C 23 31.842 31.725 0.117 1
1 102 . 1 1 1 A 23 23 LYS N N 23 124.319 120.284 4.035 1
1 103 . 1 1 1 A 24 24 GLN H H 24 8.449 7.852 0.597 1
1 104 . 1 1 1 A 24 24 GLN C C 24 176.616 178.448 -1.832 1
1 105 . 1 1 1 A 24 24 GLN CA C 24 55.771 59.069 -3.298 1
1 106 . 1 1 1 A 24 24 GLN CB C 24 28.488 28.304 0.184 1
1 107 . 1 1 1 A 24 24 GLN N N 24 122.258 119.346 2.912 1
1 108 . 1 1 1 A 25 25 GLY H H 25 8.499 8.346 0.153 1
1 109 . 1 1 1 A 25 25 GLY C C 25 174.230 176.083 -1.853 1
1 110 . 1 1 1 A 25 25 GLY CA C 25 44.843 47.216 -2.373 1
1 111 . 1 1 1 A 25 25 GLY N N 25 111.100 107.043 4.057 1
1 112 . 1 1 1 A 26 26 VAL H H 26 8.040 7.930 0.110 1
1 113 . 1 1 1 A 26 26 VAL C C 26 176.461 177.771 -1.310 1
1 114 . 1 1 1 A 26 26 VAL CA C 26 62.157 65.350 -3.193 1
1 115 . 1 1 1 A 26 26 VAL CB C 26 31.599 31.536 0.063 1
1 116 . 1 1 1 A 26 26 VAL N N 26 120.466 120.480 -0.014 1
1 117 . 1 1 1 A 27 27 ALA H H 27 8.440 8.263 0.177 1
1 118 . 1 1 1 A 27 27 ALA C C 27 178.208 180.192 -1.984 1
1 119 . 1 1 1 A 27 27 ALA CA C 27 52.378 55.939 -3.561 1
1 120 . 1 1 1 A 27 27 ALA CB C 27 18.162 18.057 0.105 1
1 121 . 1 1 1 A 27 27 ALA N N 27 127.811 124.182 3.629 1
1 122 . 1 1 1 A 28 28 GLU H H 28 8.420 7.747 0.673 1
1 123 . 1 1 1 A 28 28 GLU C C 28 176.695 178.998 -2.303 1
1 124 . 1 1 1 A 28 28 GLU CA C 28 56.386 59.027 -2.641 1
1 125 . 1 1 1 A 28 28 GLU CB C 28 29.180 29.319 -0.139 1
1 126 . 1 1 1 A 28 28 GLU N N 28 121.129 118.012 3.117 1
1 127 . 1 1 1 A 29 29 ALA H H 29 8.325 8.081 0.244 1
1 128 . 1 1 1 A 29 29 ALA C C 29 177.792 179.530 -1.738 1
1 129 . 1 1 1 A 29 29 ALA CA C 29 52.244 54.977 -2.733 1
1 130 . 1 1 1 A 29 29 ALA CB C 29 18.162 17.941 0.221 1
1 131 . 1 1 1 A 29 29 ALA N N 29 125.438 123.322 2.116 1
1 132 . 1 1 1 A 30 30 ALA H H 30 8.256 8.420 -0.164 1
1 133 . 1 1 1 A 30 30 ALA C C 30 178.527 180.360 -1.833 1
1 134 . 1 1 1 A 30 30 ALA CA C 30 52.378 55.124 -2.746 1
1 135 . 1 1 1 A 30 30 ALA CB C 30 18.109 18.349 -0.240 1
1 136 . 1 1 1 A 30 30 ALA N N 30 123.542 120.155 3.387 1
1 137 . 1 1 1 A 31 31 GLY H H 31 8.325 7.909 0.416 1
1 138 . 1 1 1 A 31 31 GLY C C 31 174.230 175.479 -1.249 1
1 139 . 1 1 1 A 31 31 GLY CA C 31 44.870 47.020 -2.150 1
1 140 . 1 1 1 A 31 31 GLY N N 31 108.328 107.199 1.129 1
1 141 . 1 1 1 A 32 32 LYS H H 32 8.124 7.905 0.219 1
1 142 . 1 1 1 A 32 32 LYS C C 32 177.024 179.283 -2.259 1
1 143 . 1 1 1 A 32 32 LYS CA C 32 55.825 58.111 -2.286 1
1 144 . 1 1 1 A 32 32 LYS CB C 32 31.895 32.482 -0.587 1
1 145 . 1 1 1 A 32 32 LYS N N 32 121.336 121.497 -0.161 1
1 146 . 1 1 1 A 33 33 THR H H 33 8.252 8.635 -0.383 1
1 147 . 1 1 1 A 33 33 THR C C 33 174.656 176.323 -1.667 1
1 148 . 1 1 1 A 33 33 THR CA C 33 61.542 66.396 -4.854 1
1 149 . 1 1 1 A 33 33 THR CB C 33 69.208 68.278 0.930 1
1 150 . 1 1 1 A 33 33 THR N N 33 116.282 117.006 -0.724 1
1 151 . 1 1 1 A 34 34 LYS H H 34 8.487 7.856 0.631 1
1 152 . 1 1 1 A 34 34 LYS C C 34 176.438 178.279 -1.841 1
1 153 . 1 1 1 A 34 34 LYS CA C 34 56.012 59.567 -3.555 1
1 154 . 1 1 1 A 34 34 LYS CB C 34 31.948 31.995 -0.047 1
1 155 . 1 1 1 A 34 34 LYS N N 34 124.393 121.219 3.174 1
1 156 . 1 1 1 A 35 35 GLU H H 35 8.471 7.697 0.774 1
1 157 . 1 1 1 A 35 35 GLU C C 35 176.984 179.041 -2.057 1
1 158 . 1 1 1 A 35 35 GLU CA C 35 56.332 59.395 -3.063 1
1 159 . 1 1 1 A 35 35 GLU N N 35 122.722 119.417 3.305 1
1 160 . 1 1 1 A 36 36 GLY H H 36 8.477 8.030 0.447 1
1 161 . 1 1 1 A 36 36 GLY C C 36 174.030 175.854 -1.824 1
1 162 . 1 1 1 A 36 36 GLY CA C 36 44.816 47.374 -2.558 1
1 163 . 1 1 1 A 36 36 GLY N N 36 110.641 107.303 3.338 1
1 164 . 1 1 1 A 37 37 VAL H H 37 7.934 7.532 0.402 1
1 165 . 1 1 1 A 37 37 VAL C C 37 175.950 176.217 -0.267 1
1 166 . 1 1 1 A 37 37 VAL CA C 37 61.863 65.494 -3.631 1
1 167 . 1 1 1 A 37 37 VAL CB C 37 31.682 31.503 0.179 1
1 168 . 1 1 1 A 37 37 VAL N N 37 120.259 120.695 -0.436 1
1 169 . 1 1 1 A 38 38 LEU H H 38 8.303 7.294 1.009 1
1 170 . 1 1 1 A 38 38 LEU C C 38 176.678 176.061 0.617 1
1 171 . 1 1 1 A 38 38 LEU CA C 38 54.542 54.000 0.542 1
1 172 . 1 1 1 A 38 38 LEU CB C 38 41.263 42.709 -1.446 1
1 173 . 1 1 1 A 38 38 LEU N N 38 126.391 123.630 2.761 1
1 174 . 1 1 1 A 39 39 TYR H H 39 8.303 8.960 -0.657 1
1 175 . 1 1 1 A 39 39 TYR C C 39 175.560 176.122 -0.562 1
1 176 . 1 1 1 A 39 39 TYR CA C 39 57.481 58.809 -1.328 1
1 177 . 1 1 1 A 39 39 TYR CB C 39 38.070 39.409 -1.339 1
1 178 . 1 1 1 A 39 39 TYR N N 39 123.076 126.910 -3.834 1
1 179 . 1 1 1 A 40 40 VAL H H 40 8.107 8.734 -0.627 1
1 180 . 1 1 1 A 40 40 VAL C C 40 176.172 176.734 -0.562 1
1 181 . 1 1 1 A 40 40 VAL CA C 40 61.729 61.429 0.300 1
1 182 . 1 1 1 A 40 40 VAL CB C 40 31.842 33.375 -1.533 1
1 183 . 1 1 1 A 40 40 VAL N N 40 124.029 121.843 2.186 1
1 184 . 1 1 1 A 41 41 GLY H H 41 8.040 8.797 -0.757 1
1 185 . 1 1 1 A 41 41 GLY C C 41 173.937 175.406 -1.469 1
1 186 . 1 1 1 A 41 41 GLY CA C 41 44.683 46.897 -2.214 1
1 187 . 1 1 1 A 41 41 GLY N N 41 112.595 114.112 -1.517 1
1 188 . 1 1 1 A 44 44 THR H H 44 8.208 8.000 0.208 1
1 189 . 1 1 1 A 44 44 THR C C 44 174.616 176.065 -1.449 1
1 190 . 1 1 1 A 44 44 THR CA C 44 61.489 61.421 0.068 1
1 191 . 1 1 1 A 44 44 THR CB C 44 69.208 70.288 -1.080 1
1 192 . 1 1 1 A 44 44 THR N N 44 116.158 119.799 -3.641 1
1 193 . 1 1 1 A 45 45 LYS H H 45 8.398 8.976 -0.578 1
1 194 . 1 1 1 A 45 45 LYS C C 45 176.718 178.972 -2.254 1
1 195 . 1 1 1 A 45 45 LYS CA C 45 56.279 60.433 -4.154 1
1 196 . 1 1 1 A 45 45 LYS CB C 45 31.948 32.295 -0.347 1
1 197 . 1 1 1 A 45 45 LYS N N 45 124.246 125.041 -0.795 1
1 198 . 1 1 1 A 46 46 GLU H H 46 8.454 8.177 0.277 1
1 199 . 1 1 1 A 46 46 GLU C C 46 177.117 179.191 -2.074 1
1 200 . 1 1 1 A 46 46 GLU CA C 46 56.306 59.839 -3.533 1
1 201 . 1 1 1 A 46 46 GLU N N 46 122.774 119.109 3.665 1
1 202 . 1 1 1 A 47 47 GLY H H 47 8.454 8.131 0.323 1
1 203 . 1 1 1 A 47 47 GLY C C 47 173.897 176.025 -2.128 1
1 204 . 1 1 1 A 47 47 GLY CA C 47 44.790 47.538 -2.748 1
1 205 . 1 1 1 A 47 47 GLY N N 47 110.595 107.437 3.158 1
1 206 . 1 1 1 A 48 48 VAL H H 48 7.934 8.032 -0.098 1
1 207 . 1 1 1 A 48 48 VAL C C 48 176.013 177.902 -1.889 1
1 208 . 1 1 1 A 48 48 VAL CA C 48 61.810 66.037 -4.227 1
1 209 . 1 1 1 A 48 48 VAL CB C 48 31.682 31.817 -0.135 1
1 210 . 1 1 1 A 48 48 VAL N N 48 120.674 122.250 -1.576 1
1 211 . 1 1 1 A 49 49 VAL H H 49 8.325 7.882 0.443 1
1 212 . 1 1 1 A 49 49 VAL C C 49 175.906 178.093 -2.187 1
1 213 . 1 1 1 A 49 49 VAL CA C 49 61.703 66.392 -4.689 1
1 214 . 1 1 1 A 49 49 VAL CB C 49 31.629 31.517 0.112 1
1 215 . 1 1 1 A 49 49 VAL N N 49 125.728 119.996 5.732 1
1 216 . 1 1 1 A 50 50 HIS H H 50 8.487 7.974 0.513 1
1 217 . 1 1 1 A 50 50 HIS C C 50 175.897 177.803 -1.906 1
1 218 . 1 1 1 A 50 50 HIS CA C 50 56.038 59.020 -2.982 1
1 219 . 1 1 1 A 50 50 HIS CB C 50 30.351 29.829 0.522 1
1 220 . 1 1 1 A 50 50 HIS N N 50 125.438 118.812 6.626 1
1 221 . 1 1 1 A 51 51 GLY H H 51 8.407 8.199 0.208 1
1 222 . 1 1 1 A 51 51 GLY C C 51 173.777 175.872 -2.095 1
1 223 . 1 1 1 A 51 51 GLY CA C 51 44.736 47.224 -2.488 1
1 224 . 1 1 1 A 51 51 GLY N N 51 111.127 106.253 4.874 1
1 225 . 1 1 1 A 52 52 VAL H H 52 8.046 7.991 0.055 1
1 226 . 1 1 1 A 52 52 VAL C C 52 175.961 178.024 -2.063 1
1 227 . 1 1 1 A 52 52 VAL CA C 52 61.569 65.346 -3.777 1
1 228 . 1 1 1 A 52 52 VAL CB C 52 31.842 31.480 0.362 1
1 229 . 1 1 1 A 52 52 VAL N N 52 120.259 121.102 -0.843 1
1 230 . 1 1 1 A 53 53 ALA H H 53 8.504 7.854 0.650 1
1 231 . 1 1 1 A 53 53 ALA C C 53 177.862 180.135 -2.273 1
1 232 . 1 1 1 A 53 53 ALA CA C 53 52.004 55.281 -3.277 1
1 233 . 1 1 1 A 53 53 ALA CB C 53 18.109 18.349 -0.240 1
1 234 . 1 1 1 A 53 53 ALA N N 53 128.628 124.244 4.384 1
1 235 . 1 1 1 A 54 54 THR H H 54 8.247 7.560 0.687 1
1 236 . 1 1 1 A 54 54 THR C C 54 174.562 176.477 -1.915 1
1 237 . 1 1 1 A 54 54 THR CA C 54 61.462 66.212 -4.750 1
1 238 . 1 1 1 A 54 54 THR CB C 54 69.262 68.258 1.004 1
1 239 . 1 1 1 A 54 54 THR N N 54 115.495 114.806 0.689 1
1 240 . 1 1 1 A 55 55 VAL H H 55 8.264 8.216 0.048 1
1 241 . 1 1 1 A 55 55 VAL C C 55 175.893 178.387 -2.494 1
1 242 . 1 1 1 A 55 55 VAL CA C 55 61.810 65.978 -4.168 1
1 243 . 1 1 1 A 55 55 VAL CB C 55 31.788 31.273 0.515 1
1 244 . 1 1 1 A 55 55 VAL N N 55 123.698 121.106 2.592 1
1 245 . 1 1 1 A 56 56 ALA H H 56 8.437 7.712 0.725 1
1 246 . 1 1 1 A 56 56 ALA C C 56 177.742 179.441 -1.699 1
1 247 . 1 1 1 A 56 56 ALA CA C 56 52.057 55.029 -2.972 1
1 248 . 1 1 1 A 56 56 ALA CB C 56 18.162 18.235 -0.073 1
1 249 . 1 1 1 A 56 56 ALA N N 56 128.545 122.419 6.126 1
1 250 . 1 1 1 A 57 57 GLU H H 57 8.398 7.715 0.683 1
1 251 . 1 1 1 A 57 57 GLU C C 57 176.748 179.388 -2.640 1
1 252 . 1 1 1 A 57 57 GLU CA C 57 56.145 59.169 -3.024 1
1 253 . 1 1 1 A 57 57 GLU CB C 57 29.234 29.790 -0.556 1
1 254 . 1 1 1 A 57 57 GLU N N 57 121.461 118.920 2.541 1
1 255 . 1 1 1 A 58 58 LYS H H 58 8.459 7.453 1.006 1
1 256 . 1 1 1 A 58 58 LYS C C 58 176.997 179.316 -2.319 1
1 257 . 1 1 1 A 58 58 LYS CA C 58 56.038 59.144 -3.106 1
1 258 . 1 1 1 A 58 58 LYS CB C 58 31.895 32.504 -0.609 1
1 259 . 1 1 1 A 58 58 LYS N N 58 123.449 119.492 3.957 1
1 260 . 1 1 1 A 59 59 THR H H 59 8.241 7.915 0.326 1
1 261 . 1 1 1 A 59 59 THR C C 59 174.682 176.602 -1.920 1
1 262 . 1 1 1 A 59 59 THR CA C 59 61.756 66.448 -4.692 1
1 263 . 1 1 1 A 59 59 THR CB C 59 69.208 68.778 0.430 1
1 264 . 1 1 1 A 59 59 THR N N 59 116.614 117.537 -0.923 1
1 265 . 1 1 1 A 60 60 LYS H H 60 8.409 7.943 0.466 1
1 266 . 1 1 1 A 60 60 LYS C C 60 176.718 179.343 -2.625 1
1 267 . 1 1 1 A 60 60 LYS CA C 60 56.199 59.440 -3.241 1
1 268 . 1 1 1 A 60 60 LYS CB C 60 31.842 32.245 -0.403 1
1 269 . 1 1 1 A 60 60 LYS N N 60 124.236 119.555 4.681 1
1 270 . 1 1 1 A 61 61 GLU H H 61 8.471 8.223 0.248 1
1 271 . 1 1 1 A 61 61 GLU C C 61 176.997 178.765 -1.768 1
1 272 . 1 1 1 A 61 61 GLU CA C 61 56.306 59.102 -2.796 1
1 273 . 1 1 1 A 61 61 GLU CB C 61 29.180 28.932 0.248 1
1 274 . 1 1 1 A 61 61 GLU N N 61 122.568 120.042 2.526 1
1 275 . 1 1 1 A 62 62 GLN H H 62 8.454 7.624 0.830 1
1 276 . 1 1 1 A 62 62 GLN C C 62 175.999 178.068 -2.069 1
1 277 . 1 1 1 A 62 62 GLN CA C 62 55.317 58.520 -3.203 1
1 278 . 1 1 1 A 62 62 GLN CB C 62 28.648 28.805 -0.157 1
1 279 . 1 1 1 A 62 62 GLN N N 62 122.372 120.100 2.272 1
1 280 . 1 1 1 A 63 63 VAL H H 63 8.308 7.841 0.467 1
1 281 . 1 1 1 A 63 63 VAL C C 63 176.399 177.937 -1.538 1
1 282 . 1 1 1 A 63 63 VAL CA C 63 61.917 65.709 -3.792 1
1 283 . 1 1 1 A 63 63 VAL CB C 63 31.469 31.400 0.069 1
1 284 . 1 1 1 A 63 63 VAL N N 63 122.579 118.887 3.692 1
1 285 . 1 1 1 A 64 64 THR H H 64 8.329 7.832 0.497 1
1 286 . 1 1 1 A 64 64 THR C C 64 174.057 177.441 -3.384 1
1 287 . 1 1 1 A 64 64 THR CA C 64 61.409 65.902 -4.493 1
1 288 . 1 1 1 A 64 64 THR CB C 64 69.155 68.376 0.779 1
1 289 . 1 1 1 A 64 64 THR N N 64 118.727 114.187 4.540 1
1 290 . 1 1 1 A 66 66 VAL H H 66 8.275 8.305 -0.030 1
1 291 . 1 1 1 A 66 66 VAL C C 66 176.904 178.274 -1.370 1
1 292 . 1 1 1 A 66 66 VAL CA C 66 62.237 66.461 -4.224 1
1 293 . 1 1 1 A 66 66 VAL CB C 66 31.469 31.393 0.076 1
1 294 . 1 1 1 A 66 66 VAL N N 66 121.419 120.484 0.935 1
1 295 . 1 1 1 A 67 67 GLY H H 67 8.565 8.866 -0.301 1
1 296 . 1 1 1 A 67 67 GLY C C 67 174.682 176.354 -1.672 1
1 297 . 1 1 1 A 67 67 GLY CA C 67 44.870 47.257 -2.387 1
1 298 . 1 1 1 A 67 67 GLY N N 67 113.134 108.486 4.648 1
1 299 . 1 1 1 A 68 68 GLY H H 68 8.247 8.549 -0.302 1
1 300 . 1 1 1 A 68 68 GLY C C 68 173.737 175.918 -2.181 1
1 301 . 1 1 1 A 68 68 GLY CA C 68 44.629 46.146 -1.517 1
1 302 . 1 1 1 A 68 68 GLY N N 68 109.446 109.857 -0.411 1
1 303 . 1 1 1 A 69 69 ALA H H 69 8.185 8.495 -0.310 1
1 304 . 1 1 1 A 69 69 ALA C C 69 177.675 179.628 -1.953 1
1 305 . 1 1 1 A 69 69 ALA CA C 69 51.870 54.628 -2.758 1
1 306 . 1 1 1 A 69 69 ALA CB C 69 18.268 18.728 -0.460 1
1 307 . 1 1 1 A 69 69 ALA N N 69 124.361 123.619 0.742 1
1 308 . 1 1 1 A 70 70 VAL H H 70 8.241 8.080 0.161 1
1 309 . 1 1 1 A 70 70 VAL C C 70 176.372 178.187 -1.815 1
1 310 . 1 1 1 A 70 70 VAL CA C 70 61.917 65.560 -3.643 1
1 311 . 1 1 1 A 70 70 VAL CB C 70 31.629 31.502 0.127 1
1 312 . 1 1 1 A 70 70 VAL N N 70 121.129 116.322 4.807 1
1 313 . 1 1 1 A 71 71 VAL H H 71 8.415 7.671 0.744 1
1 314 . 1 1 1 A 71 71 VAL C C 71 176.332 178.233 -1.901 1
1 315 . 1 1 1 A 71 71 VAL CA C 71 61.676 66.749 -5.073 1
1 316 . 1 1 1 A 71 71 VAL CB C 71 31.735 31.693 0.042 1
1 317 . 1 1 1 A 71 71 VAL N N 71 126.018 121.402 4.616 1
1 318 . 1 1 1 A 72 72 THR H H 72 8.336 7.621 0.715 1
1 319 . 1 1 1 A 72 72 THR C C 72 174.918 177.133 -2.215 1
1 320 . 1 1 1 A 72 72 THR CA C 72 61.489 65.439 -3.950 1
1 321 . 1 1 1 A 72 72 THR CB C 72 69.262 67.931 1.331 1
1 322 . 1 1 1 A 72 72 THR N N 72 119.265 112.041 7.224 1
1 323 . 1 1 1 A 73 73 GLY H H 73 8.448 8.500 -0.052 1
1 324 . 1 1 1 A 73 73 GLY C C 73 174.013 175.569 -1.556 1
1 325 . 1 1 1 A 73 73 GLY CA C 73 44.736 47.239 -2.503 1
1 326 . 1 1 1 A 73 73 GLY N N 73 111.891 111.733 0.158 1
1 327 . 1 1 1 A 74 74 VAL H H 74 8.107 8.398 -0.291 1
1 328 . 1 1 1 A 74 74 VAL C C 74 176.568 177.921 -1.353 1
1 329 . 1 1 1 A 74 74 VAL CA C 74 61.890 65.703 -3.813 1
1 330 . 1 1 1 A 74 74 VAL CB C 74 31.895 31.742 0.153 1
1 331 . 1 1 1 A 74 74 VAL N N 74 120.218 122.701 -2.483 1
1 332 . 1 1 1 A 75 75 THR H H 75 8.325 8.001 0.324 1
1 333 . 1 1 1 A 75 75 THR C C 75 174.119 176.472 -2.353 1
1 334 . 1 1 1 A 75 75 THR CA C 75 61.569 66.704 -5.135 1
1 335 . 1 1 1 A 75 75 THR CB C 75 69.208 68.479 0.729 1
1 336 . 1 1 1 A 75 75 THR N N 75 119.596 116.965 2.631 1
1 337 . 1 1 1 A 76 76 ALA H H 76 8.392 7.715 0.677 1
1 338 . 1 1 1 A 76 76 ALA C C 76 177.569 180.413 -2.844 1
1 339 . 1 1 1 A 76 76 ALA CA C 76 51.977 55.110 -3.133 1
1 340 . 1 1 1 A 76 76 ALA CB C 76 18.162 18.041 0.121 1
1 341 . 1 1 1 A 76 76 ALA N N 76 127.924 123.676 4.248 1
1 342 . 1 1 1 A 77 77 VAL H H 77 8.174 7.885 0.289 1
1 343 . 1 1 1 A 77 77 VAL C C 77 176.026 177.940 -1.914 1
1 344 . 1 1 1 A 77 77 VAL CA C 77 61.756 66.328 -4.572 1
1 345 . 1 1 1 A 77 77 VAL CB C 77 31.842 31.466 0.376 1
1 346 . 1 1 1 A 77 77 VAL N N 77 120.756 118.856 1.900 1
1 347 . 1 1 1 A 78 78 ALA H H 78 8.431 8.486 -0.055 1
1 348 . 1 1 1 A 78 78 ALA C C 78 177.716 179.992 -2.276 1
1 349 . 1 1 1 A 78 78 ALA CA C 78 52.030 55.907 -3.877 1
1 350 . 1 1 1 A 78 78 ALA CB C 78 18.162 18.315 -0.153 1
1 351 . 1 1 1 A 78 78 ALA N N 78 128.628 121.759 6.869 1
1 352 . 1 1 1 A 79 79 GLN H H 79 8.418 7.931 0.487 1
1 353 . 1 1 1 A 79 79 GLN C C 79 175.939 177.938 -1.999 1
1 354 . 1 1 1 A 79 79 GLN CA C 79 55.237 57.804 -2.567 1
1 355 . 1 1 1 A 79 79 GLN CB C 79 28.435 28.556 -0.121 1
1 356 . 1 1 1 A 79 79 GLN N N 79 120.923 116.787 4.136 1
1 357 . 1 1 1 A 80 80 LYS H H 80 8.459 7.518 0.941 1
1 358 . 1 1 1 A 80 80 LYS C C 80 176.705 179.415 -2.710 1
1 359 . 1 1 1 A 80 80 LYS CA C 80 55.905 58.884 -2.979 1
1 360 . 1 1 1 A 80 80 LYS CB C 80 31.895 31.900 -0.005 1
1 361 . 1 1 1 A 80 80 LYS N N 80 123.905 120.840 3.065 1
1 362 . 1 1 1 A 81 81 THR H H 81 8.320 7.592 0.728 1
1 363 . 1 1 1 A 81 81 THR C C 81 174.443 175.872 -1.429 1
1 364 . 1 1 1 A 81 81 THR CA C 81 61.489 66.749 -5.260 1
1 365 . 1 1 1 A 81 81 THR CB C 81 69.208 68.984 0.224 1
1 366 . 1 1 1 A 81 81 THR N N 81 117.608 116.304 1.304 1
1 367 . 1 1 1 A 82 82 VAL H H 82 8.331 7.657 0.674 1
1 368 . 1 1 1 A 82 82 VAL C C 82 176.159 178.230 -2.071 1
1 369 . 1 1 1 A 82 82 VAL CA C 82 61.783 65.741 -3.958 1
1 370 . 1 1 1 A 82 82 VAL CB C 82 31.788 31.429 0.359 1
1 371 . 1 1 1 A 82 82 VAL N N 82 123.656 117.097 6.559 1
1 372 . 1 1 1 A 83 83 GLU H H 83 8.593 8.437 0.156 1
1 373 . 1 1 1 A 83 83 GLU C C 83 177.077 180.011 -2.934 1
1 374 . 1 1 1 A 83 83 GLU CA C 83 56.359 59.389 -3.030 1
1 375 . 1 1 1 A 83 83 GLU CB C 83 29.234 29.060 0.174 1
1 376 . 1 1 1 A 83 83 GLU N N 83 125.852 122.000 3.852 1
1 377 . 1 1 1 A 84 84 GLY H H 84 8.538 8.076 0.462 1
1 378 . 1 1 1 A 84 84 GLY C C 84 174.137 176.087 -1.950 1
1 379 . 1 1 1 A 84 84 GLY CA C 84 44.816 46.815 -1.999 1
1 380 . 1 1 1 A 84 84 GLY N N 84 111.269 109.138 2.131 1
1 381 . 1 1 1 A 85 85 ALA H H 85 8.280 7.778 0.502 1
1 382 . 1 1 1 A 85 85 ALA C C 85 178.526 179.877 -1.351 1
1 383 . 1 1 1 A 85 85 ALA CA C 85 52.405 55.116 -2.711 1
1 384 . 1 1 1 A 85 85 ALA CB C 85 18.162 18.445 -0.283 1
1 385 . 1 1 1 A 85 85 ALA N N 85 124.526 124.685 -0.159 1
1 386 . 1 1 1 A 86 86 GLY H H 86 8.504 8.336 0.168 1
1 387 . 1 1 1 A 86 86 GLY C C 86 174.296 175.612 -1.316 1
1 388 . 1 1 1 A 86 86 GLY CA C 86 44.790 47.096 -2.306 1
1 389 . 1 1 1 A 86 86 GLY N N 86 108.742 106.379 2.363 1
1 390 . 1 1 1 A 87 87 SER H H 87 8.174 7.943 0.231 1
1 391 . 1 1 1 A 87 87 SER C C 87 174.695 177.298 -2.603 1
1 392 . 1 1 1 A 87 87 SER CA C 87 58.016 61.244 -3.228 1
1 393 . 1 1 1 A 87 87 SER CB C 87 63.460 62.791 0.669 1
1 394 . 1 1 1 A 87 87 SER N N 87 116.365 116.486 -0.121 1
1 395 . 1 1 1 A 88 88 ILE H H 88 8.218 7.401 0.817 1
1 396 . 1 1 1 A 88 88 ILE C C 88 176.333 177.702 -1.369 1
1 397 . 1 1 1 A 88 88 ILE CA C 88 60.874 65.555 -4.681 1
1 398 . 1 1 1 A 88 88 ILE CB C 88 37.644 37.827 -0.183 1
1 399 . 1 1 1 A 88 88 ILE N N 88 123.445 121.903 1.542 1
1 400 . 1 1 1 A 89 89 ALA H H 89 8.370 8.294 0.076 1
1 401 . 1 1 1 A 89 89 ALA C C 89 177.583 179.470 -1.887 1
1 402 . 1 1 1 A 89 89 ALA CA C 89 52.137 55.521 -3.384 1
1 403 . 1 1 1 A 89 89 ALA CB C 89 18.162 17.840 0.322 1
1 404 . 1 1 1 A 89 89 ALA N N 89 128.545 122.756 5.789 1
1 405 . 1 1 1 A 90 90 ALA H H 90 8.236 7.722 0.514 1
1 406 . 1 1 1 A 90 90 ALA C C 90 177.738 179.463 -1.725 1
1 407 . 1 1 1 A 90 90 ALA CA C 90 52.004 54.033 -2.029 1
1 408 . 1 1 1 A 90 90 ALA CB C 90 18.162 18.728 -0.566 1
1 409 . 1 1 1 A 90 90 ALA N N 90 123.864 119.926 3.938 1
1 410 . 1 1 1 A 91 91 ALA H H 91 8.314 7.864 0.450 1
1 411 . 1 1 1 A 91 91 ALA C C 91 178.164 179.531 -1.367 1
1 412 . 1 1 1 A 91 91 ALA CA C 91 52.164 55.069 -2.905 1
1 413 . 1 1 1 A 91 91 ALA CB C 91 18.162 18.364 -0.202 1
1 414 . 1 1 1 A 91 91 ALA N N 91 123.946 119.938 4.008 1
1 415 . 1 1 1 A 92 92 THR H H 92 8.124 7.577 0.547 1
1 416 . 1 1 1 A 92 92 THR C C 92 175.201 175.535 -0.334 1
1 417 . 1 1 1 A 92 92 THR CA C 92 61.569 66.146 -4.577 1
1 418 . 1 1 1 A 92 92 THR CB C 92 69.208 68.541 0.667 1
1 419 . 1 1 1 A 92 92 THR N N 92 113.299 112.937 0.362 1
1 420 . 1 1 1 A 93 93 GLY H H 93 8.320 8.461 -0.141 1
1 421 . 1 1 1 A 93 93 GLY C C 93 173.618 173.562 0.056 1
1 422 . 1 1 1 A 93 93 GLY CA C 93 44.709 46.247 -1.538 1
1 423 . 1 1 1 A 93 93 GLY N N 93 111.228 108.475 2.753 1
1 424 . 1 1 1 A 94 94 PHE H H 94 8.123 8.171 -0.048 1
1 425 . 1 1 1 A 94 94 PHE C C 94 175.534 175.232 0.302 1
1 426 . 1 1 1 A 94 94 PHE CA C 94 57.454 58.517 -1.063 1
1 427 . 1 1 1 A 94 94 PHE CB C 94 38.815 39.587 -0.772 1
1 428 . 1 1 1 A 94 94 PHE N N 94 120.999 125.162 -4.163 1
1 429 . 1 1 1 A 95 95 VAL H H 95 8.079 8.466 -0.387 1
1 430 . 1 1 1 A 95 95 VAL C C 95 175.441 175.473 -0.032 1
1 431 . 1 1 1 A 95 95 VAL CA C 95 61.489 62.346 -0.857 1
1 432 . 1 1 1 A 95 95 VAL CB C 95 31.895 31.649 0.246 1
1 433 . 1 1 1 A 95 95 VAL N N 95 124.444 120.713 3.731 1
1 434 . 1 1 1 A 96 96 LYS H H 96 8.415 8.606 -0.191 1
1 435 . 1 1 1 A 96 96 LYS C C 96 176.465 175.741 0.724 1
1 436 . 1 1 1 A 96 96 LYS CA C 96 55.931 57.023 -1.092 1
1 437 . 1 1 1 A 96 96 LYS CB C 96 31.895 33.254 -1.359 1
1 438 . 1 1 1 A 96 96 LYS N N 96 126.971 127.611 -0.640 1
1 439 . 1 1 1 A 97 97 LYS H H 97 8.499 8.938 -0.439 1
1 440 . 1 1 1 A 97 97 LYS CA C 97 56.012 54.955 1.057 1
1 441 . 1 1 1 A 97 97 LYS CB C 97 31.948 34.834 -2.886 1
1 442 . 1 1 1 A 97 97 LYS N N 97 124.408 122.046 2.362 1
1 443 . 1 1 1 A 98 98 ASP H H 98 8.426 9.012 -0.586 1
1 444 . 1 1 1 A 98 98 ASP C C 98 176.226 175.978 0.248 1
1 445 . 1 1 1 A 98 98 ASP CA C 98 54.061 53.164 0.897 1
1 446 . 1 1 1 A 98 98 ASP CB C 98 40.358 41.494 -1.136 1
1 447 . 1 1 1 A 98 98 ASP N N 98 121.792 126.300 -4.508 1
1 448 . 1 1 1 A 99 99 GLN H H 99 8.375 8.624 -0.249 1
1 449 . 1 1 1 A 99 99 GLN C C 99 176.014 175.609 0.405 1
1 450 . 1 1 1 A 99 99 GLN CA C 99 55.370 56.137 -0.767 1
1 451 . 1 1 1 A 99 99 GLN CB C 99 28.382 31.093 -2.711 1
1 452 . 1 1 1 A 99 99 GLN N N 99 120.798 122.628 -1.830 1
1 453 . 1 1 1 A 100 100 LEU H H 100 8.330 7.865 0.465 1
1 454 . 1 1 1 A 100 100 LEU C C 100 178.008 176.702 1.306 1
1 455 . 1 1 1 A 100 100 LEU CA C 100 54.970 53.206 1.764 1
1 456 . 1 1 1 A 100 100 LEU CB C 100 40.944 44.935 -3.991 1
1 457 . 1 1 1 A 100 100 LEU N N 100 123.452 119.854 3.598 1
1 458 . 1 1 1 A 101 101 GLY H H 101 8.493 8.553 -0.060 1
1 459 . 1 1 1 A 101 101 GLY C C 101 174.030 174.475 -0.445 1
1 460 . 1 1 1 A 101 101 GLY CA C 101 44.816 45.298 -0.482 1
1 461 . 1 1 1 A 101 101 GLY N N 101 110.358 112.269 -1.911 1
1 462 . 1 1 1 A 102 102 LYS H H 102 8.230 8.199 0.031 1
1 463 . 1 1 1 A 102 102 LYS C C 102 176.452 175.643 0.809 1
1 464 . 1 1 1 A 102 102 LYS CA C 102 55.771 57.069 -1.298 1
1 465 . 1 1 1 A 102 102 LYS N N 102 121.419 119.414 2.005 1
1 466 . 1 1 1 A 103 103 ASN H H 103 8.644 8.553 0.091 1
1 467 . 1 1 1 A 103 103 ASN C C 103 175.294 174.389 0.905 1
1 468 . 1 1 1 A 103 103 ASN CA C 103 52.992 52.073 0.919 1
1 469 . 1 1 1 A 103 103 ASN CB C 103 38.070 39.371 -1.301 1
1 470 . 1 1 1 A 103 103 ASN N N 103 120.549 121.162 -0.613 1
1 471 . 1 1 1 A 104 104 GLU H H 104 8.504 8.424 0.080 1
1 472 . 1 1 1 A 104 104 GLU C C 104 176.572 176.369 0.203 1
1 473 . 1 1 1 A 104 104 GLU CA C 104 56.225 58.746 -2.521 1
1 474 . 1 1 1 A 104 104 GLU CB C 104 29.180 29.506 -0.326 1
1 475 . 1 1 1 A 104 104 GLU N N 104 121.958 121.435 0.523 1
1 476 . 1 1 1 A 105 105 GLU H H 105 8.493 7.693 0.800 1
1 477 . 1 1 1 A 105 105 GLU C C 105 177.024 175.812 1.212 1
1 478 . 1 1 1 A 105 105 GLU CA C 105 56.412 56.237 0.175 1
1 479 . 1 1 1 A 105 105 GLU CB C 105 29.180 32.902 -3.722 1
1 480 . 1 1 1 A 105 105 GLU N N 105 122.414 118.332 4.082 1
1 481 . 1 1 1 A 106 106 GLY H H 106 8.454 9.016 -0.562 1
1 482 . 1 1 1 A 106 106 GLY CA C 106 44.549 46.031 -1.482 1
1 483 . 1 1 1 A 106 106 GLY N N 106 110.814 112.981 -2.167 1
1 484 . 1 1 1 A 107 107 ALA H H 107 8.141 7.947 0.194 1
1 485 . 1 1 1 A 107 107 ALA C C 107 175.600 177.235 -1.635 1
1 486 . 1 1 1 A 107 107 ALA CA C 107 50.053 52.772 -2.719 1
1 487 . 1 1 1 A 107 107 ALA CB C 107 17.257 17.380 -0.123 1
1 488 . 1 1 1 A 107 107 ALA N N 107 125.521 118.724 6.797 1
1 489 . 1 1 1 A 109 109 GLN H H 109 8.610 8.257 0.353 1
1 490 . 1 1 1 A 109 109 GLN C C 109 175.999 176.710 -0.711 1
1 491 . 1 1 1 A 109 109 GLN CA C 109 55.237 57.760 -2.523 1
1 492 . 1 1 1 A 109 109 GLN CB C 109 28.808 29.164 -0.356 1
1 493 . 1 1 1 A 109 109 GLN N N 109 121.751 123.168 -1.417 1
1 494 . 1 1 1 A 110 110 GLU H H 110 8.549 7.952 0.597 1
1 495 . 1 1 1 A 110 110 GLU C C 110 176.891 175.526 1.365 1
1 496 . 1 1 1 A 110 110 GLU CA C 110 56.172 56.727 -0.555 1
1 497 . 1 1 1 A 110 110 GLU CB C 110 29.234 32.979 -3.745 1
1 498 . 1 1 1 A 110 110 GLU N N 110 123.159 120.444 2.715 1
1 499 . 1 1 1 A 111 111 GLY H H 111 8.504 7.615 0.889 1
1 500 . 1 1 1 A 111 111 GLY C C 111 173.751 174.278 -0.527 1
1 501 . 1 1 1 A 111 111 GLY CA C 111 44.763 45.614 -0.851 1
1 502 . 1 1 1 A 111 111 GLY N N 111 110.855 106.811 4.044 1
1 503 . 1 1 1 A 112 112 ILE H H 112 8.029 8.584 -0.555 1
1 504 . 1 1 1 A 112 112 ILE C C 112 176.279 176.803 -0.524 1
1 505 . 1 1 1 A 112 112 ILE CA C 112 60.474 63.938 -3.464 1
1 506 . 1 1 1 A 112 112 ILE CB C 112 37.537 38.093 -0.556 1
1 507 . 1 1 1 A 112 112 ILE N N 112 120.922 117.866 3.056 1
1 508 . 1 1 1 A 113 113 LEU H H 113 8.437 7.603 0.834 1
1 509 . 1 1 1 A 113 113 LEU C C 113 177.117 178.059 -0.942 1
1 510 . 1 1 1 A 113 113 LEU CA C 113 54.542 54.547 -0.005 1
1 511 . 1 1 1 A 113 113 LEU CB C 113 41.210 42.301 -1.091 1
1 512 . 1 1 1 A 113 113 LEU N N 113 127.675 124.565 3.110 1
1 513 . 1 1 1 A 114 114 GLU H H 114 8.448 9.004 -0.556 1
1 514 . 1 1 1 A 114 114 GLU C C 114 175.893 175.797 0.096 1
1 515 . 1 1 1 A 114 114 GLU CA C 114 55.931 57.163 -1.232 1
1 516 . 1 1 1 A 114 114 GLU CB C 114 29.393 29.744 -0.351 1
1 517 . 1 1 1 A 114 114 GLU N N 114 122.911 122.067 0.844 1
1 518 . 1 1 1 A 115 115 ASP H H 115 8.392 8.200 0.192 1
1 519 . 1 1 1 A 115 115 ASP C C 115 175.786 176.234 -0.448 1
1 520 . 1 1 1 A 115 115 ASP CA C 115 53.874 55.334 -1.460 1
1 521 . 1 1 1 A 115 115 ASP CB C 115 40.305 39.999 0.306 1
1 522 . 1 1 1 A 115 115 ASP N N 115 122.082 118.983 3.099 1
1 523 . 1 1 1 A 116 116 MET H H 116 8.303 7.905 0.398 1
1 524 . 1 1 1 A 116 116 MET C C 116 174.123 174.750 -0.627 1
1 525 . 1 1 1 A 116 116 MET CA C 116 52.779 53.438 -0.659 1
1 526 . 1 1 1 A 116 116 MET CB C 116 31.469 33.303 -1.834 1
1 527 . 1 1 1 A 116 116 MET N N 116 122.662 117.811 4.851 1
1 528 . 1 1 1 A 118 118 VAL H H 118 8.325 7.577 0.748 1
1 529 . 1 1 1 A 118 118 VAL C C 118 175.790 175.444 0.346 1
1 530 . 1 1 1 A 118 118 VAL CA C 118 61.409 62.682 -1.273 1
1 531 . 1 1 1 A 118 118 VAL CB C 118 31.842 32.902 -1.060 1
1 532 . 1 1 1 A 118 118 VAL N N 118 121.461 118.817 2.644 1
1 533 . 1 1 1 A 119 119 ASP H H 119 8.549 8.858 -0.309 1
1 534 . 1 1 1 A 119 119 ASP C C 119 174.722 175.646 -0.924 1
1 535 . 1 1 1 A 119 119 ASP CA C 119 51.817 50.892 0.925 1
1 536 . 1 1 1 A 119 119 ASP CB C 119 40.358 41.196 -0.838 1
1 537 . 1 1 1 A 119 119 ASP N N 119 126.598 127.867 -1.269 1
1 538 . 1 1 1 A 121 121 ASP H H 121 8.403 8.589 -0.186 1
1 539 . 1 1 1 A 121 121 ASP C C 121 176.174 176.365 -0.191 1
1 540 . 1 1 1 A 121 121 ASP CA C 121 54.168 56.407 -2.239 1
1 541 . 1 1 1 A 121 121 ASP CB C 121 40.199 39.950 0.249 1
1 542 . 1 1 1 A 121 121 ASP N N 121 119.928 118.072 1.856 1
1 543 . 1 1 1 A 122 122 ASN H H 122 8.157 7.732 0.425 1
1 544 . 1 1 1 A 122 122 ASN C C 122 175.343 175.303 0.040 1
1 545 . 1 1 1 A 122 122 ASN CA C 122 53.099 51.991 1.108 1
1 546 . 1 1 1 A 122 122 ASN CB C 122 38.549 39.118 -0.569 1
1 547 . 1 1 1 A 122 122 ASN N N 122 119.721 116.158 3.563 1
1 548 . 1 1 1 A 123 123 GLU H H 123 8.398 8.157 0.241 1
1 549 . 1 1 1 A 123 123 GLU C C 123 176.013 175.078 0.935 1
1 550 . 1 1 1 A 123 123 GLU CA C 123 56.359 58.272 -1.913 1
1 551 . 1 1 1 A 123 123 GLU CB C 123 29.180 29.812 -0.632 1
1 552 . 1 1 1 A 123 123 GLU N N 123 122.331 118.422 3.909 1
1 553 . 1 1 1 A 124 124 ALA H H 124 8.247 8.823 -0.576 1
1 554 . 1 1 1 A 124 124 ALA C C 124 177.174 177.012 0.162 1
1 555 . 1 1 1 A 124 124 ALA CA C 124 51.817 51.089 0.728 1
1 556 . 1 1 1 A 124 124 ALA CB C 124 18.162 19.919 -1.757 1
1 557 . 1 1 1 A 124 124 ALA N N 124 125.106 117.070 8.036 1
1 558 . 1 1 1 A 125 125 TYR H H 125 8.074 8.689 -0.615 1
1 559 . 1 1 1 A 125 125 TYR C C 125 175.334 175.998 -0.664 1
1 560 . 1 1 1 A 125 125 TYR CA C 125 57.321 60.746 -3.425 1
1 561 . 1 1 1 A 125 125 TYR CB C 125 38.123 38.598 -0.475 1
1 562 . 1 1 1 A 125 125 TYR N N 125 120.756 117.544 3.212 1
1 563 . 1 1 1 A 126 126 GLU H H 126 8.169 8.140 0.029 1
1 564 . 1 1 1 A 126 126 GLU C C 126 175.386 175.905 -0.519 1
1 565 . 1 1 1 A 126 126 GLU CA C 126 55.157 55.386 -0.229 1
1 566 . 1 1 1 A 126 126 GLU CB C 126 29.659 31.059 -1.400 1
1 567 . 1 1 1 A 126 126 GLU N N 126 124.568 117.089 7.479 1
1 568 . 1 1 1 A 127 127 MET H H 127 8.459 8.769 -0.310 1
1 569 . 1 1 1 A 127 127 MET C C 127 174.283 175.162 -0.879 1
1 570 . 1 1 1 A 127 127 MET CA C 127 52.885 57.593 -4.708 1
1 571 . 1 1 1 A 127 127 MET CB C 127 31.309 31.265 0.044 1
1 572 . 1 1 1 A 127 127 MET N N 127 124.609 122.073 2.536 1
1 573 . 1 1 1 A 129 129 SER H H 129 8.521 8.780 -0.259 1
1 574 . 1 1 1 A 129 129 SER C C 129 174.789 174.117 0.672 1
1 575 . 1 1 1 A 129 129 SER CA C 129 57.909 61.489 -3.580 1
1 576 . 1 1 1 A 129 129 SER CB C 129 63.566 62.688 0.878 1
1 577 . 1 1 1 A 129 129 SER N N 129 117.442 117.431 0.011 1
1 578 . 1 1 1 A 130 130 GLU H H 130 8.605 8.079 0.526 1
1 579 . 1 1 1 A 130 130 GLU C C 130 176.558 175.651 0.907 1
1 580 . 1 1 1 A 130 130 GLU CA C 130 56.012 57.653 -1.641 1
1 581 . 1 1 1 A 130 130 GLU CB C 130 29.234 29.641 -0.407 1
1 582 . 1 1 1 A 130 130 GLU N N 130 123.864 119.650 4.214 1
1 583 . 1 1 1 A 131 131 GLU H H 131 8.504 8.815 -0.311 1
1 584 . 1 1 1 A 131 131 GLU C C 131 176.997 176.622 0.375 1
1 585 . 1 1 1 A 131 131 GLU CA C 131 56.386 55.489 0.897 1
1 586 . 1 1 1 A 131 131 GLU CB C 131 29.287 30.497 -1.210 1
1 587 . 1 1 1 A 131 131 GLU N N 131 122.704 121.615 1.089 1
1 588 . 1 1 1 A 132 132 GLY H H 132 8.431 8.206 0.225 1
1 589 . 1 1 1 A 132 132 GLY C C 132 173.791 174.319 -0.528 1
1 590 . 1 1 1 A 132 132 GLY CA C 132 44.656 45.628 -0.972 1
1 591 . 1 1 1 A 132 132 GLY N N 132 110.565 108.729 1.836 1
1 592 . 1 1 1 A 133 133 TYR H H 133 8.107 9.295 -1.188 1
1 593 . 1 1 1 A 133 133 TYR C C 133 175.693 174.454 1.239 1
1 594 . 1 1 1 A 133 133 TYR CA C 133 57.722 60.454 -2.732 1
1 595 . 1 1 1 A 133 133 TYR CB C 133 38.123 38.317 -0.194 1
1 596 . 1 1 1 A 133 133 TYR N N 133 121.005 120.974 0.031 1
1 597 . 1 1 1 A 134 134 GLN H H 134 8.230 8.157 0.073 1
1 598 . 1 1 1 A 134 134 GLN C C 134 174.775 174.188 0.587 1
1 599 . 1 1 1 A 134 134 GLN CA C 134 54.889 54.492 0.397 1
1 600 . 1 1 1 A 134 134 GLN CB C 134 28.808 31.797 -2.989 1
1 601 . 1 1 1 A 134 134 GLN N N 134 123.449 113.551 9.898 1
1 602 . 1 1 1 A 135 135 ASP H H 135 8.258 8.035 0.223 1
1 603 . 1 1 1 A 135 135 ASP C C 135 175.507 174.903 0.604 1
1 604 . 1 1 1 A 135 135 ASP CA C 135 53.821 54.542 -0.721 1
1 605 . 1 1 1 A 135 135 ASP CB C 135 40.358 44.152 -3.794 1
1 606 . 1 1 1 A 135 135 ASP N N 135 122.331 122.785 -0.454 1
1 607 . 1 1 1 A 136 136 TYR H H 136 8.079 6.886 1.193 1
1 608 . 1 1 1 A 136 136 TYR C C 136 175.108 175.501 -0.393 1
1 609 . 1 1 1 A 136 136 TYR CA C 136 57.161 55.687 1.474 1
1 610 . 1 1 1 A 136 136 TYR CB C 136 38.282 41.648 -3.366 1
1 611 . 1 1 1 A 136 136 TYR N N 136 121.129 115.750 5.379 1
1 612 . 1 1 1 A 137 137 GLU H H 137 8.292 8.929 -0.637 1
1 613 . 1 1 1 A 137 137 GLU C C 137 173.777 177.160 -3.383 1
1 614 . 1 1 1 A 137 137 GLU CA C 137 53.153 61.441 -8.288 1
1 615 . 1 1 1 A 137 137 GLU CB C 137 29.234 28.297 0.937 1
1 616 . 1 1 1 A 137 137 GLU N N 137 126.059 123.230 2.829 1
1 617 . 1 1 1 A 139 139 GLU H H 139 8.538 8.983 -0.445 1
1 618 . 1 1 1 A 139 139 GLU C C 139 175.454 176.464 -1.010 1
1 619 . 1 1 1 A 139 139 GLU CA C 139 56.145 59.307 -3.162 1
1 620 . 1 1 1 A 139 139 GLU CB C 139 29.234 29.704 -0.470 1
1 621 . 1 1 1 A 139 139 GLU N N 139 122.165 120.633 1.532 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 127 1.675 1
2 1 1 1 "RMS(OBS, PRED)" CA 129 3.048 1
3 1 1 1 "RMS(OBS, PRED)" CB 107 1.140 1
4 1 1 1 "RMS(OBS, PRED)" H 129 0.500 1
5 1 1 1 "RMS(OBS, PRED)" HA 0 0.000 1
6 1 1 1 "RMS(OBS, PRED)" N 129 3.575 1
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.Conformer_type "average"
_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.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_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.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 3 3 VAL H H 3 8.236 8.492 -0.256 2
1 2 . 1 1 A 3 3 VAL C C 3 176.026 177.769 -1.743 2
1 3 . 1 1 A 3 3 VAL CA C 3 62.157 65.674 -3.517 2
1 4 . 1 1 A 3 3 VAL CB C 3 31.469 31.449 0.020 2
1 5 . 1 1 A 3 3 VAL N N 3 120.839 125.198 -4.359 2
1 6 . 1 1 A 4 4 PHE H H 4 8.342 7.797 0.545 2
1 7 . 1 1 A 4 4 PHE C C 4 175.906 178.378 -2.472 2
1 8 . 1 1 A 4 4 PHE CA C 4 57.641 60.756 -3.115 2
1 9 . 1 1 A 4 4 PHE CB C 4 38.549 38.800 -0.251 2
1 10 . 1 1 A 4 4 PHE N N 4 123.864 119.696 4.168 2
1 11 . 1 1 A 5 5 MET H H 5 8.230 8.104 0.126 2
1 12 . 1 1 A 5 5 MET C C 5 176.026 178.865 -2.839 2
1 13 . 1 1 A 5 5 MET CA C 5 55.023 59.258 -4.235 2
1 14 . 1 1 A 5 5 MET CB C 5 31.469 32.684 -1.215 2
1 15 . 1 1 A 5 5 MET N N 5 122.745 117.836 4.909 2
1 16 . 1 1 A 6 6 LYS H H 6 8.282 7.671 0.611 2
1 17 . 1 1 A 6 6 LYS C C 6 177.223 179.264 -2.041 2
1 18 . 1 1 A 6 6 LYS CA C 6 56.519 59.313 -2.794 2
1 19 . 1 1 A 6 6 LYS CB C 6 31.682 32.320 -0.638 2
1 20 . 1 1 A 6 6 LYS N N 6 123.066 119.038 4.028 2
1 21 . 1 1 A 7 7 GLY H H 7 8.409 7.876 0.533 2
1 22 . 1 1 A 7 7 GLY C C 7 174.130 175.649 -1.519 2
1 23 . 1 1 A 7 7 GLY CA C 7 44.843 46.953 -2.110 2
1 24 . 1 1 A 7 7 GLY N N 7 110.321 107.359 2.962 2
1 25 . 1 1 A 8 8 LEU H H 8 8.074 8.061 0.013 2
1 26 . 1 1 A 8 8 LEU C C 8 177.676 178.405 -0.729 2
1 27 . 1 1 A 8 8 LEU CA C 8 54.756 57.493 -2.737 2
1 28 . 1 1 A 8 8 LEU CB C 8 41.210 41.716 -0.506 2
1 29 . 1 1 A 8 8 LEU N N 8 122.165 123.898 -1.733 2
1 30 . 1 1 A 9 9 SER H H 9 8.337 8.496 -0.159 2
1 31 . 1 1 A 9 9 SER C C 9 174.562 176.907 -2.345 2
1 32 . 1 1 A 9 9 SER CA C 9 58.069 60.954 -2.885 2
1 33 . 1 1 A 9 9 SER CB C 9 63.353 63.056 0.297 2
1 34 . 1 1 A 9 9 SER N N 9 117.300 114.558 2.742 2
1 35 . 1 1 A 10 10 LYS H H 10 8.461 7.807 0.654 2
1 36 . 1 1 A 10 10 LYS C C 10 176.558 178.413 -1.855 2
1 37 . 1 1 A 10 10 LYS CA C 10 56.092 58.887 -2.795 2
1 38 . 1 1 A 10 10 LYS CB C 10 31.469 32.296 -0.827 2
1 39 . 1 1 A 10 10 LYS N N 10 124.343 121.540 2.803 2
1 40 . 1 1 A 11 11 ALA H H 11 8.322 7.687 0.635 2
1 41 . 1 1 A 11 11 ALA C C 11 177.942 179.095 -1.153 2
1 42 . 1 1 A 11 11 ALA CA C 11 52.218 55.476 -3.258 2
1 43 . 1 1 A 11 11 ALA CB C 11 18.109 18.413 -0.304 2
1 44 . 1 1 A 11 11 ALA N N 11 125.811 121.809 4.002 2
1 45 . 1 1 A 12 12 LYS H H 12 8.361 7.724 0.637 2
1 46 . 1 1 A 12 12 LYS C C 12 176.748 178.438 -1.690 2
1 47 . 1 1 A 12 12 LYS CA C 12 56.012 59.650 -3.638 2
1 48 . 1 1 A 12 12 LYS CB C 12 31.842 32.226 -0.384 2
1 49 . 1 1 A 12 12 LYS N N 12 121.458 118.425 3.033 2
1 50 . 1 1 A 13 13 GLU H H 13 8.453 7.724 0.729 2
1 51 . 1 1 A 13 13 GLU C C 13 177.117 179.026 -1.909 2
1 52 . 1 1 A 13 13 GLU CA C 13 56.306 59.487 -3.181 2
1 53 . 1 1 A 13 13 GLU N N 13 122.699 119.358 3.341 2
1 54 . 1 1 A 14 14 GLY H H 14 8.461 8.149 0.312 2
1 55 . 1 1 A 14 14 GLY C C 14 173.950 175.572 -1.622 2
1 56 . 1 1 A 14 14 GLY CA C 14 44.816 47.129 -2.313 2
1 57 . 1 1 A 14 14 GLY N N 14 110.547 107.691 2.856 2
1 58 . 1 1 A 15 15 VAL H H 15 8.001 8.306 -0.305 2
1 59 . 1 1 A 15 15 VAL C C 15 176.545 178.384 -1.839 2
1 60 . 1 1 A 15 15 VAL CA C 15 62.184 65.894 -3.710 2
1 61 . 1 1 A 15 15 VAL CB C 15 31.576 31.858 -0.282 2
1 62 . 1 1 A 15 15 VAL N N 15 120.839 122.540 -1.701 2
1 63 . 1 1 A 16 16 VAL H H 16 8.307 8.056 0.251 2
1 64 . 1 1 A 16 16 VAL C C 16 176.026 177.694 -1.668 2
1 65 . 1 1 A 16 16 VAL CA C 16 61.997 66.397 -4.400 2
1 66 . 1 1 A 16 16 VAL CB C 16 31.629 31.374 0.255 2
1 67 . 1 1 A 16 16 VAL N N 16 125.803 120.984 4.819 2
1 68 . 1 1 A 17 17 ALA H H 17 8.465 8.313 0.152 2
1 69 . 1 1 A 17 17 ALA C C 17 177.742 179.756 -2.014 2
1 70 . 1 1 A 17 17 ALA CA C 17 52.111 55.657 -3.546 2
1 71 . 1 1 A 17 17 ALA CB C 17 18.162 17.825 0.337 2
1 72 . 1 1 A 17 17 ALA N N 17 128.876 121.998 6.878 2
1 73 . 1 1 A 18 18 ALA H H 18 8.331 8.225 0.106 2
1 74 . 1 1 A 18 18 ALA C C 18 177.919 179.495 -1.576 2
1 75 . 1 1 A 18 18 ALA CA C 18 52.244 54.820 -2.576 2
1 76 . 1 1 A 18 18 ALA CB C 18 18.109 18.381 -0.272 2
1 77 . 1 1 A 18 18 ALA N N 18 124.154 119.967 4.187 2
1 78 . 1 1 A 19 19 ALA H H 19 8.292 7.921 0.371 2
1 79 . 1 1 A 19 19 ALA C C 19 178.235 180.202 -1.967 2
1 80 . 1 1 A 19 19 ALA CA C 19 52.298 55.430 -3.132 2
1 81 . 1 1 A 19 19 ALA CB C 19 18.109 18.132 -0.023 2
1 82 . 1 1 A 19 19 ALA N N 19 123.615 120.614 3.001 2
1 83 . 1 1 A 20 20 GLU H H 20 8.347 7.966 0.381 2
1 84 . 1 1 A 20 20 GLU C C 20 176.993 178.938 -1.945 2
1 85 . 1 1 A 20 20 GLU CA C 20 56.332 59.575 -3.243 2
1 86 . 1 1 A 20 20 GLU CB C 20 29.180 29.245 -0.065 2
1 87 . 1 1 A 20 20 GLU N N 20 120.715 118.103 2.612 2
1 88 . 1 1 A 21 21 LYS H H 21 8.359 7.447 0.912 2
1 89 . 1 1 A 21 21 LYS C C 21 177.197 179.114 -1.917 2
1 90 . 1 1 A 21 21 LYS CA C 21 56.306 59.050 -2.744 2
1 91 . 1 1 A 21 21 LYS CB C 21 31.788 32.285 -0.497 2
1 92 . 1 1 A 21 21 LYS N N 21 122.869 121.143 1.726 2
1 93 . 1 1 A 22 22 THR H H 22 8.157 8.777 -0.620 2
1 94 . 1 1 A 22 22 THR C C 22 174.695 176.274 -1.579 2
1 95 . 1 1 A 22 22 THR CA C 22 61.917 66.790 -4.873 2
1 96 . 1 1 A 22 22 THR CB C 22 69.208 68.315 0.893 2
1 97 . 1 1 A 22 22 THR N N 22 115.909 115.600 0.309 2
1 98 . 1 1 A 23 23 LYS H H 23 8.370 8.528 -0.158 2
1 99 . 1 1 A 23 23 LYS C C 23 176.759 177.912 -1.153 2
1 100 . 1 1 A 23 23 LYS CA C 23 56.252 58.966 -2.714 2
1 101 . 1 1 A 23 23 LYS CB C 23 31.842 31.725 0.117 2
1 102 . 1 1 A 23 23 LYS N N 23 124.319 120.284 4.035 2
1 103 . 1 1 A 24 24 GLN H H 24 8.449 7.852 0.597 2
1 104 . 1 1 A 24 24 GLN C C 24 176.616 178.448 -1.832 2
1 105 . 1 1 A 24 24 GLN CA C 24 55.771 59.069 -3.298 2
1 106 . 1 1 A 24 24 GLN CB C 24 28.488 28.304 0.184 2
1 107 . 1 1 A 24 24 GLN N N 24 122.258 119.346 2.912 2
1 108 . 1 1 A 25 25 GLY H H 25 8.499 8.346 0.153 2
1 109 . 1 1 A 25 25 GLY C C 25 174.230 176.083 -1.853 2
1 110 . 1 1 A 25 25 GLY CA C 25 44.843 47.216 -2.373 2
1 111 . 1 1 A 25 25 GLY N N 25 111.100 107.043 4.057 2
1 112 . 1 1 A 26 26 VAL H H 26 8.040 7.930 0.110 2
1 113 . 1 1 A 26 26 VAL C C 26 176.461 177.771 -1.310 2
1 114 . 1 1 A 26 26 VAL CA C 26 62.157 65.350 -3.193 2
1 115 . 1 1 A 26 26 VAL CB C 26 31.599 31.536 0.063 2
1 116 . 1 1 A 26 26 VAL N N 26 120.466 120.480 -0.014 2
1 117 . 1 1 A 27 27 ALA H H 27 8.440 8.263 0.177 2
1 118 . 1 1 A 27 27 ALA C C 27 178.208 180.192 -1.984 2
1 119 . 1 1 A 27 27 ALA CA C 27 52.378 55.939 -3.561 2
1 120 . 1 1 A 27 27 ALA CB C 27 18.162 18.057 0.105 2
1 121 . 1 1 A 27 27 ALA N N 27 127.811 124.182 3.629 2
1 122 . 1 1 A 28 28 GLU H H 28 8.420 7.747 0.673 2
1 123 . 1 1 A 28 28 GLU C C 28 176.695 178.998 -2.303 2
1 124 . 1 1 A 28 28 GLU CA C 28 56.386 59.027 -2.641 2
1 125 . 1 1 A 28 28 GLU CB C 28 29.180 29.319 -0.139 2
1 126 . 1 1 A 28 28 GLU N N 28 121.129 118.012 3.117 2
1 127 . 1 1 A 29 29 ALA H H 29 8.325 8.081 0.244 2
1 128 . 1 1 A 29 29 ALA C C 29 177.792 179.530 -1.738 2
1 129 . 1 1 A 29 29 ALA CA C 29 52.244 54.977 -2.733 2
1 130 . 1 1 A 29 29 ALA CB C 29 18.162 17.941 0.221 2
1 131 . 1 1 A 29 29 ALA N N 29 125.438 123.322 2.116 2
1 132 . 1 1 A 30 30 ALA H H 30 8.256 8.420 -0.164 2
1 133 . 1 1 A 30 30 ALA C C 30 178.527 180.360 -1.833 2
1 134 . 1 1 A 30 30 ALA CA C 30 52.378 55.124 -2.746 2
1 135 . 1 1 A 30 30 ALA CB C 30 18.109 18.349 -0.240 2
1 136 . 1 1 A 30 30 ALA N N 30 123.542 120.155 3.387 2
1 137 . 1 1 A 31 31 GLY H H 31 8.325 7.909 0.416 2
1 138 . 1 1 A 31 31 GLY C C 31 174.230 175.479 -1.249 2
1 139 . 1 1 A 31 31 GLY CA C 31 44.870 47.020 -2.150 2
1 140 . 1 1 A 31 31 GLY N N 31 108.328 107.199 1.129 2
1 141 . 1 1 A 32 32 LYS H H 32 8.124 7.905 0.219 2
1 142 . 1 1 A 32 32 LYS C C 32 177.024 179.283 -2.259 2
1 143 . 1 1 A 32 32 LYS CA C 32 55.825 58.111 -2.286 2
1 144 . 1 1 A 32 32 LYS CB C 32 31.895 32.482 -0.587 2
1 145 . 1 1 A 32 32 LYS N N 32 121.336 121.497 -0.161 2
1 146 . 1 1 A 33 33 THR H H 33 8.252 8.635 -0.383 2
1 147 . 1 1 A 33 33 THR C C 33 174.656 176.323 -1.667 2
1 148 . 1 1 A 33 33 THR CA C 33 61.542 66.396 -4.854 2
1 149 . 1 1 A 33 33 THR CB C 33 69.208 68.278 0.930 2
1 150 . 1 1 A 33 33 THR N N 33 116.282 117.006 -0.724 2
1 151 . 1 1 A 34 34 LYS H H 34 8.487 7.856 0.631 2
1 152 . 1 1 A 34 34 LYS C C 34 176.438 178.279 -1.841 2
1 153 . 1 1 A 34 34 LYS CA C 34 56.012 59.567 -3.555 2
1 154 . 1 1 A 34 34 LYS CB C 34 31.948 31.995 -0.047 2
1 155 . 1 1 A 34 34 LYS N N 34 124.393 121.219 3.174 2
1 156 . 1 1 A 35 35 GLU H H 35 8.471 7.697 0.774 2
1 157 . 1 1 A 35 35 GLU C C 35 176.984 179.041 -2.057 2
1 158 . 1 1 A 35 35 GLU CA C 35 56.332 59.395 -3.063 2
1 159 . 1 1 A 35 35 GLU N N 35 122.722 119.417 3.305 2
1 160 . 1 1 A 36 36 GLY H H 36 8.477 8.030 0.447 2
1 161 . 1 1 A 36 36 GLY C C 36 174.030 175.854 -1.824 2
1 162 . 1 1 A 36 36 GLY CA C 36 44.816 47.374 -2.558 2
1 163 . 1 1 A 36 36 GLY N N 36 110.641 107.303 3.338 2
1 164 . 1 1 A 37 37 VAL H H 37 7.934 7.532 0.402 2
1 165 . 1 1 A 37 37 VAL C C 37 175.950 176.217 -0.267 2
1 166 . 1 1 A 37 37 VAL CA C 37 61.863 65.494 -3.631 2
1 167 . 1 1 A 37 37 VAL CB C 37 31.682 31.503 0.179 2
1 168 . 1 1 A 37 37 VAL N N 37 120.259 120.695 -0.436 2
1 169 . 1 1 A 38 38 LEU H H 38 8.303 7.294 1.009 2
1 170 . 1 1 A 38 38 LEU C C 38 176.678 176.061 0.617 2
1 171 . 1 1 A 38 38 LEU CA C 38 54.542 54.000 0.542 2
1 172 . 1 1 A 38 38 LEU CB C 38 41.263 42.709 -1.446 2
1 173 . 1 1 A 38 38 LEU N N 38 126.391 123.630 2.761 2
1 174 . 1 1 A 39 39 TYR H H 39 8.303 8.960 -0.657 2
1 175 . 1 1 A 39 39 TYR C C 39 175.560 176.122 -0.562 2
1 176 . 1 1 A 39 39 TYR CA C 39 57.481 58.809 -1.328 2
1 177 . 1 1 A 39 39 TYR CB C 39 38.070 39.409 -1.339 2
1 178 . 1 1 A 39 39 TYR N N 39 123.076 126.910 -3.834 2
1 179 . 1 1 A 40 40 VAL H H 40 8.107 8.734 -0.627 2
1 180 . 1 1 A 40 40 VAL C C 40 176.172 176.734 -0.562 2
1 181 . 1 1 A 40 40 VAL CA C 40 61.729 61.429 0.300 2
1 182 . 1 1 A 40 40 VAL CB C 40 31.842 33.375 -1.533 2
1 183 . 1 1 A 40 40 VAL N N 40 124.029 121.843 2.186 2
1 184 . 1 1 A 41 41 GLY H H 41 8.040 8.797 -0.757 2
1 185 . 1 1 A 41 41 GLY C C 41 173.937 175.406 -1.469 2
1 186 . 1 1 A 41 41 GLY CA C 41 44.683 46.897 -2.214 2
1 187 . 1 1 A 41 41 GLY N N 41 112.595 114.112 -1.517 2
1 188 . 1 1 A 44 44 THR H H 44 8.208 8.000 0.208 2
1 189 . 1 1 A 44 44 THR C C 44 174.616 176.065 -1.449 2
1 190 . 1 1 A 44 44 THR CA C 44 61.489 61.421 0.068 2
1 191 . 1 1 A 44 44 THR CB C 44 69.208 70.288 -1.080 2
1 192 . 1 1 A 44 44 THR N N 44 116.158 119.799 -3.641 2
1 193 . 1 1 A 45 45 LYS H H 45 8.398 8.976 -0.578 2
1 194 . 1 1 A 45 45 LYS C C 45 176.718 178.972 -2.254 2
1 195 . 1 1 A 45 45 LYS CA C 45 56.279 60.433 -4.154 2
1 196 . 1 1 A 45 45 LYS CB C 45 31.948 32.295 -0.347 2
1 197 . 1 1 A 45 45 LYS N N 45 124.246 125.041 -0.795 2
1 198 . 1 1 A 46 46 GLU H H 46 8.454 8.177 0.277 2
1 199 . 1 1 A 46 46 GLU C C 46 177.117 179.191 -2.074 2
1 200 . 1 1 A 46 46 GLU CA C 46 56.306 59.839 -3.533 2
1 201 . 1 1 A 46 46 GLU N N 46 122.774 119.109 3.665 2
1 202 . 1 1 A 47 47 GLY H H 47 8.454 8.131 0.323 2
1 203 . 1 1 A 47 47 GLY C C 47 173.897 176.025 -2.128 2
1 204 . 1 1 A 47 47 GLY CA C 47 44.790 47.538 -2.748 2
1 205 . 1 1 A 47 47 GLY N N 47 110.595 107.437 3.158 2
1 206 . 1 1 A 48 48 VAL H H 48 7.934 8.032 -0.098 2
1 207 . 1 1 A 48 48 VAL C C 48 176.013 177.902 -1.889 2
1 208 . 1 1 A 48 48 VAL CA C 48 61.810 66.037 -4.227 2
1 209 . 1 1 A 48 48 VAL CB C 48 31.682 31.817 -0.135 2
1 210 . 1 1 A 48 48 VAL N N 48 120.674 122.250 -1.576 2
1 211 . 1 1 A 49 49 VAL H H 49 8.325 7.882 0.443 2
1 212 . 1 1 A 49 49 VAL C C 49 175.906 178.093 -2.187 2
1 213 . 1 1 A 49 49 VAL CA C 49 61.703 66.392 -4.689 2
1 214 . 1 1 A 49 49 VAL CB C 49 31.629 31.517 0.112 2
1 215 . 1 1 A 49 49 VAL N N 49 125.728 119.996 5.732 2
1 216 . 1 1 A 50 50 HIS H H 50 8.487 7.974 0.513 2
1 217 . 1 1 A 50 50 HIS C C 50 175.897 177.803 -1.906 2
1 218 . 1 1 A 50 50 HIS CA C 50 56.038 59.020 -2.982 2
1 219 . 1 1 A 50 50 HIS CB C 50 30.351 29.829 0.522 2
1 220 . 1 1 A 50 50 HIS N N 50 125.438 118.812 6.626 2
1 221 . 1 1 A 51 51 GLY H H 51 8.407 8.199 0.208 2
1 222 . 1 1 A 51 51 GLY C C 51 173.777 175.872 -2.095 2
1 223 . 1 1 A 51 51 GLY CA C 51 44.736 47.224 -2.488 2
1 224 . 1 1 A 51 51 GLY N N 51 111.127 106.253 4.874 2
1 225 . 1 1 A 52 52 VAL H H 52 8.046 7.991 0.055 2
1 226 . 1 1 A 52 52 VAL C C 52 175.961 178.024 -2.063 2
1 227 . 1 1 A 52 52 VAL CA C 52 61.569 65.346 -3.777 2
1 228 . 1 1 A 52 52 VAL CB C 52 31.842 31.480 0.362 2
1 229 . 1 1 A 52 52 VAL N N 52 120.259 121.102 -0.843 2
1 230 . 1 1 A 53 53 ALA H H 53 8.504 7.854 0.650 2
1 231 . 1 1 A 53 53 ALA C C 53 177.862 180.135 -2.273 2
1 232 . 1 1 A 53 53 ALA CA C 53 52.004 55.281 -3.277 2
1 233 . 1 1 A 53 53 ALA CB C 53 18.109 18.349 -0.240 2
1 234 . 1 1 A 53 53 ALA N N 53 128.628 124.244 4.384 2
1 235 . 1 1 A 54 54 THR H H 54 8.247 7.560 0.687 2
1 236 . 1 1 A 54 54 THR C C 54 174.562 176.477 -1.915 2
1 237 . 1 1 A 54 54 THR CA C 54 61.462 66.212 -4.750 2
1 238 . 1 1 A 54 54 THR CB C 54 69.262 68.258 1.004 2
1 239 . 1 1 A 54 54 THR N N 54 115.495 114.806 0.689 2
1 240 . 1 1 A 55 55 VAL H H 55 8.264 8.216 0.048 2
1 241 . 1 1 A 55 55 VAL C C 55 175.893 178.387 -2.494 2
1 242 . 1 1 A 55 55 VAL CA C 55 61.810 65.978 -4.168 2
1 243 . 1 1 A 55 55 VAL CB C 55 31.788 31.273 0.515 2
1 244 . 1 1 A 55 55 VAL N N 55 123.698 121.106 2.592 2
1 245 . 1 1 A 56 56 ALA H H 56 8.437 7.712 0.725 2
1 246 . 1 1 A 56 56 ALA C C 56 177.742 179.441 -1.699 2
1 247 . 1 1 A 56 56 ALA CA C 56 52.057 55.029 -2.972 2
1 248 . 1 1 A 56 56 ALA CB C 56 18.162 18.235 -0.073 2
1 249 . 1 1 A 56 56 ALA N N 56 128.545 122.419 6.126 2
1 250 . 1 1 A 57 57 GLU H H 57 8.398 7.715 0.683 2
1 251 . 1 1 A 57 57 GLU C C 57 176.748 179.388 -2.640 2
1 252 . 1 1 A 57 57 GLU CA C 57 56.145 59.169 -3.024 2
1 253 . 1 1 A 57 57 GLU CB C 57 29.234 29.790 -0.556 2
1 254 . 1 1 A 57 57 GLU N N 57 121.461 118.920 2.541 2
1 255 . 1 1 A 58 58 LYS H H 58 8.459 7.453 1.006 2
1 256 . 1 1 A 58 58 LYS C C 58 176.997 179.316 -2.319 2
1 257 . 1 1 A 58 58 LYS CA C 58 56.038 59.144 -3.106 2
1 258 . 1 1 A 58 58 LYS CB C 58 31.895 32.504 -0.609 2
1 259 . 1 1 A 58 58 LYS N N 58 123.449 119.492 3.957 2
1 260 . 1 1 A 59 59 THR H H 59 8.241 7.915 0.326 2
1 261 . 1 1 A 59 59 THR C C 59 174.682 176.602 -1.920 2
1 262 . 1 1 A 59 59 THR CA C 59 61.756 66.448 -4.692 2
1 263 . 1 1 A 59 59 THR CB C 59 69.208 68.778 0.430 2
1 264 . 1 1 A 59 59 THR N N 59 116.614 117.537 -0.923 2
1 265 . 1 1 A 60 60 LYS H H 60 8.409 7.943 0.466 2
1 266 . 1 1 A 60 60 LYS C C 60 176.718 179.343 -2.625 2
1 267 . 1 1 A 60 60 LYS CA C 60 56.199 59.440 -3.241 2
1 268 . 1 1 A 60 60 LYS CB C 60 31.842 32.245 -0.403 2
1 269 . 1 1 A 60 60 LYS N N 60 124.236 119.555 4.681 2
1 270 . 1 1 A 61 61 GLU H H 61 8.471 8.223 0.248 2
1 271 . 1 1 A 61 61 GLU C C 61 176.997 178.765 -1.768 2
1 272 . 1 1 A 61 61 GLU CA C 61 56.306 59.102 -2.796 2
1 273 . 1 1 A 61 61 GLU CB C 61 29.180 28.932 0.248 2
1 274 . 1 1 A 61 61 GLU N N 61 122.568 120.042 2.526 2
1 275 . 1 1 A 62 62 GLN H H 62 8.454 7.624 0.830 2
1 276 . 1 1 A 62 62 GLN C C 62 175.999 178.068 -2.069 2
1 277 . 1 1 A 62 62 GLN CA C 62 55.317 58.520 -3.203 2
1 278 . 1 1 A 62 62 GLN CB C 62 28.648 28.805 -0.157 2
1 279 . 1 1 A 62 62 GLN N N 62 122.372 120.100 2.272 2
1 280 . 1 1 A 63 63 VAL H H 63 8.308 7.841 0.467 2
1 281 . 1 1 A 63 63 VAL C C 63 176.399 177.937 -1.538 2
1 282 . 1 1 A 63 63 VAL CA C 63 61.917 65.709 -3.792 2
1 283 . 1 1 A 63 63 VAL CB C 63 31.469 31.400 0.069 2
1 284 . 1 1 A 63 63 VAL N N 63 122.579 118.887 3.692 2
1 285 . 1 1 A 64 64 THR H H 64 8.329 7.832 0.497 2
1 286 . 1 1 A 64 64 THR C C 64 174.057 177.441 -3.384 2
1 287 . 1 1 A 64 64 THR CA C 64 61.409 65.902 -4.493 2
1 288 . 1 1 A 64 64 THR CB C 64 69.155 68.376 0.779 2
1 289 . 1 1 A 64 64 THR N N 64 118.727 114.187 4.540 2
1 290 . 1 1 A 66 66 VAL H H 66 8.275 8.305 -0.030 2
1 291 . 1 1 A 66 66 VAL C C 66 176.904 178.274 -1.370 2
1 292 . 1 1 A 66 66 VAL CA C 66 62.237 66.461 -4.224 2
1 293 . 1 1 A 66 66 VAL CB C 66 31.469 31.393 0.076 2
1 294 . 1 1 A 66 66 VAL N N 66 121.419 120.484 0.935 2
1 295 . 1 1 A 67 67 GLY H H 67 8.565 8.866 -0.301 2
1 296 . 1 1 A 67 67 GLY C C 67 174.682 176.354 -1.672 2
1 297 . 1 1 A 67 67 GLY CA C 67 44.870 47.257 -2.387 2
1 298 . 1 1 A 67 67 GLY N N 67 113.134 108.486 4.648 2
1 299 . 1 1 A 68 68 GLY H H 68 8.247 8.549 -0.302 2
1 300 . 1 1 A 68 68 GLY C C 68 173.737 175.918 -2.181 2
1 301 . 1 1 A 68 68 GLY CA C 68 44.629 46.146 -1.517 2
1 302 . 1 1 A 68 68 GLY N N 68 109.446 109.857 -0.411 2
1 303 . 1 1 A 69 69 ALA H H 69 8.185 8.495 -0.310 2
1 304 . 1 1 A 69 69 ALA C C 69 177.675 179.628 -1.953 2
1 305 . 1 1 A 69 69 ALA CA C 69 51.870 54.628 -2.758 2
1 306 . 1 1 A 69 69 ALA CB C 69 18.268 18.728 -0.460 2
1 307 . 1 1 A 69 69 ALA N N 69 124.361 123.619 0.742 2
1 308 . 1 1 A 70 70 VAL H H 70 8.241 8.080 0.161 2
1 309 . 1 1 A 70 70 VAL C C 70 176.372 178.187 -1.815 2
1 310 . 1 1 A 70 70 VAL CA C 70 61.917 65.560 -3.643 2
1 311 . 1 1 A 70 70 VAL CB C 70 31.629 31.502 0.127 2
1 312 . 1 1 A 70 70 VAL N N 70 121.129 116.322 4.807 2
1 313 . 1 1 A 71 71 VAL H H 71 8.415 7.671 0.744 2
1 314 . 1 1 A 71 71 VAL C C 71 176.332 178.233 -1.901 2
1 315 . 1 1 A 71 71 VAL CA C 71 61.676 66.749 -5.073 2
1 316 . 1 1 A 71 71 VAL CB C 71 31.735 31.693 0.042 2
1 317 . 1 1 A 71 71 VAL N N 71 126.018 121.402 4.616 2
1 318 . 1 1 A 72 72 THR H H 72 8.336 7.621 0.715 2
1 319 . 1 1 A 72 72 THR C C 72 174.918 177.133 -2.215 2
1 320 . 1 1 A 72 72 THR CA C 72 61.489 65.439 -3.950 2
1 321 . 1 1 A 72 72 THR CB C 72 69.262 67.931 1.331 2
1 322 . 1 1 A 72 72 THR N N 72 119.265 112.041 7.224 2
1 323 . 1 1 A 73 73 GLY H H 73 8.448 8.500 -0.052 2
1 324 . 1 1 A 73 73 GLY C C 73 174.013 175.569 -1.556 2
1 325 . 1 1 A 73 73 GLY CA C 73 44.736 47.239 -2.503 2
1 326 . 1 1 A 73 73 GLY N N 73 111.891 111.733 0.158 2
1 327 . 1 1 A 74 74 VAL H H 74 8.107 8.398 -0.291 2
1 328 . 1 1 A 74 74 VAL C C 74 176.568 177.921 -1.353 2
1 329 . 1 1 A 74 74 VAL CA C 74 61.890 65.703 -3.813 2
1 330 . 1 1 A 74 74 VAL CB C 74 31.895 31.742 0.153 2
1 331 . 1 1 A 74 74 VAL N N 74 120.218 122.701 -2.483 2
1 332 . 1 1 A 75 75 THR H H 75 8.325 8.001 0.324 2
1 333 . 1 1 A 75 75 THR C C 75 174.119 176.472 -2.353 2
1 334 . 1 1 A 75 75 THR CA C 75 61.569 66.704 -5.135 2
1 335 . 1 1 A 75 75 THR CB C 75 69.208 68.479 0.729 2
1 336 . 1 1 A 75 75 THR N N 75 119.596 116.965 2.631 2
1 337 . 1 1 A 76 76 ALA H H 76 8.392 7.715 0.677 2
1 338 . 1 1 A 76 76 ALA C C 76 177.569 180.413 -2.844 2
1 339 . 1 1 A 76 76 ALA CA C 76 51.977 55.110 -3.133 2
1 340 . 1 1 A 76 76 ALA CB C 76 18.162 18.041 0.121 2
1 341 . 1 1 A 76 76 ALA N N 76 127.924 123.676 4.248 2
1 342 . 1 1 A 77 77 VAL H H 77 8.174 7.885 0.289 2
1 343 . 1 1 A 77 77 VAL C C 77 176.026 177.940 -1.914 2
1 344 . 1 1 A 77 77 VAL CA C 77 61.756 66.328 -4.572 2
1 345 . 1 1 A 77 77 VAL CB C 77 31.842 31.466 0.376 2
1 346 . 1 1 A 77 77 VAL N N 77 120.756 118.856 1.900 2
1 347 . 1 1 A 78 78 ALA H H 78 8.431 8.486 -0.055 2
1 348 . 1 1 A 78 78 ALA C C 78 177.716 179.992 -2.276 2
1 349 . 1 1 A 78 78 ALA CA C 78 52.030 55.907 -3.877 2
1 350 . 1 1 A 78 78 ALA CB C 78 18.162 18.315 -0.153 2
1 351 . 1 1 A 78 78 ALA N N 78 128.628 121.759 6.869 2
1 352 . 1 1 A 79 79 GLN H H 79 8.418 7.931 0.487 2
1 353 . 1 1 A 79 79 GLN C C 79 175.939 177.938 -1.999 2
1 354 . 1 1 A 79 79 GLN CA C 79 55.237 57.804 -2.567 2
1 355 . 1 1 A 79 79 GLN CB C 79 28.435 28.556 -0.121 2
1 356 . 1 1 A 79 79 GLN N N 79 120.923 116.787 4.136 2
1 357 . 1 1 A 80 80 LYS H H 80 8.459 7.518 0.941 2
1 358 . 1 1 A 80 80 LYS C C 80 176.705 179.415 -2.710 2
1 359 . 1 1 A 80 80 LYS CA C 80 55.905 58.884 -2.979 2
1 360 . 1 1 A 80 80 LYS CB C 80 31.895 31.900 -0.005 2
1 361 . 1 1 A 80 80 LYS N N 80 123.905 120.840 3.065 2
1 362 . 1 1 A 81 81 THR H H 81 8.320 7.592 0.728 2
1 363 . 1 1 A 81 81 THR C C 81 174.443 175.872 -1.429 2
1 364 . 1 1 A 81 81 THR CA C 81 61.489 66.749 -5.260 2
1 365 . 1 1 A 81 81 THR CB C 81 69.208 68.984 0.224 2
1 366 . 1 1 A 81 81 THR N N 81 117.608 116.304 1.304 2
1 367 . 1 1 A 82 82 VAL H H 82 8.331 7.657 0.674 2
1 368 . 1 1 A 82 82 VAL C C 82 176.159 178.230 -2.071 2
1 369 . 1 1 A 82 82 VAL CA C 82 61.783 65.741 -3.958 2
1 370 . 1 1 A 82 82 VAL CB C 82 31.788 31.429 0.359 2
1 371 . 1 1 A 82 82 VAL N N 82 123.656 117.097 6.559 2
1 372 . 1 1 A 83 83 GLU H H 83 8.593 8.437 0.156 2
1 373 . 1 1 A 83 83 GLU C C 83 177.077 180.011 -2.934 2
1 374 . 1 1 A 83 83 GLU CA C 83 56.359 59.389 -3.030 2
1 375 . 1 1 A 83 83 GLU CB C 83 29.234 29.060 0.174 2
1 376 . 1 1 A 83 83 GLU N N 83 125.852 122.000 3.852 2
1 377 . 1 1 A 84 84 GLY H H 84 8.538 8.076 0.462 2
1 378 . 1 1 A 84 84 GLY C C 84 174.137 176.087 -1.950 2
1 379 . 1 1 A 84 84 GLY CA C 84 44.816 46.815 -1.999 2
1 380 . 1 1 A 84 84 GLY N N 84 111.269 109.138 2.131 2
1 381 . 1 1 A 85 85 ALA H H 85 8.280 7.778 0.502 2
1 382 . 1 1 A 85 85 ALA C C 85 178.526 179.877 -1.351 2
1 383 . 1 1 A 85 85 ALA CA C 85 52.405 55.116 -2.711 2
1 384 . 1 1 A 85 85 ALA CB C 85 18.162 18.445 -0.283 2
1 385 . 1 1 A 85 85 ALA N N 85 124.526 124.685 -0.159 2
1 386 . 1 1 A 86 86 GLY H H 86 8.504 8.336 0.168 2
1 387 . 1 1 A 86 86 GLY C C 86 174.296 175.612 -1.316 2
1 388 . 1 1 A 86 86 GLY CA C 86 44.790 47.096 -2.306 2
1 389 . 1 1 A 86 86 GLY N N 86 108.742 106.379 2.363 2
1 390 . 1 1 A 87 87 SER H H 87 8.174 7.943 0.231 2
1 391 . 1 1 A 87 87 SER C C 87 174.695 177.298 -2.603 2
1 392 . 1 1 A 87 87 SER CA C 87 58.016 61.244 -3.228 2
1 393 . 1 1 A 87 87 SER CB C 87 63.460 62.791 0.669 2
1 394 . 1 1 A 87 87 SER N N 87 116.365 116.486 -0.121 2
1 395 . 1 1 A 88 88 ILE H H 88 8.218 7.401 0.817 2
1 396 . 1 1 A 88 88 ILE C C 88 176.333 177.702 -1.369 2
1 397 . 1 1 A 88 88 ILE CA C 88 60.874 65.555 -4.681 2
1 398 . 1 1 A 88 88 ILE CB C 88 37.644 37.827 -0.183 2
1 399 . 1 1 A 88 88 ILE N N 88 123.445 121.903 1.542 2
1 400 . 1 1 A 89 89 ALA H H 89 8.370 8.294 0.076 2
1 401 . 1 1 A 89 89 ALA C C 89 177.583 179.470 -1.887 2
1 402 . 1 1 A 89 89 ALA CA C 89 52.137 55.521 -3.384 2
1 403 . 1 1 A 89 89 ALA CB C 89 18.162 17.840 0.322 2
1 404 . 1 1 A 89 89 ALA N N 89 128.545 122.756 5.789 2
1 405 . 1 1 A 90 90 ALA H H 90 8.236 7.722 0.514 2
1 406 . 1 1 A 90 90 ALA C C 90 177.738 179.463 -1.725 2
1 407 . 1 1 A 90 90 ALA CA C 90 52.004 54.033 -2.029 2
1 408 . 1 1 A 90 90 ALA CB C 90 18.162 18.728 -0.566 2
1 409 . 1 1 A 90 90 ALA N N 90 123.864 119.926 3.938 2
1 410 . 1 1 A 91 91 ALA H H 91 8.314 7.864 0.450 2
1 411 . 1 1 A 91 91 ALA C C 91 178.164 179.531 -1.367 2
1 412 . 1 1 A 91 91 ALA CA C 91 52.164 55.069 -2.905 2
1 413 . 1 1 A 91 91 ALA CB C 91 18.162 18.364 -0.202 2
1 414 . 1 1 A 91 91 ALA N N 91 123.946 119.938 4.008 2
1 415 . 1 1 A 92 92 THR H H 92 8.124 7.577 0.547 2
1 416 . 1 1 A 92 92 THR C C 92 175.201 175.535 -0.334 2
1 417 . 1 1 A 92 92 THR CA C 92 61.569 66.146 -4.577 2
1 418 . 1 1 A 92 92 THR CB C 92 69.208 68.541 0.667 2
1 419 . 1 1 A 92 92 THR N N 92 113.299 112.937 0.362 2
1 420 . 1 1 A 93 93 GLY H H 93 8.320 8.461 -0.141 2
1 421 . 1 1 A 93 93 GLY C C 93 173.618 173.562 0.056 2
1 422 . 1 1 A 93 93 GLY CA C 93 44.709 46.247 -1.538 2
1 423 . 1 1 A 93 93 GLY N N 93 111.228 108.475 2.753 2
1 424 . 1 1 A 94 94 PHE H H 94 8.123 8.171 -0.048 2
1 425 . 1 1 A 94 94 PHE C C 94 175.534 175.232 0.302 2
1 426 . 1 1 A 94 94 PHE CA C 94 57.454 58.517 -1.063 2
1 427 . 1 1 A 94 94 PHE CB C 94 38.815 39.587 -0.772 2
1 428 . 1 1 A 94 94 PHE N N 94 120.999 125.162 -4.163 2
1 429 . 1 1 A 95 95 VAL H H 95 8.079 8.466 -0.387 2
1 430 . 1 1 A 95 95 VAL C C 95 175.441 175.473 -0.032 2
1 431 . 1 1 A 95 95 VAL CA C 95 61.489 62.346 -0.857 2
1 432 . 1 1 A 95 95 VAL CB C 95 31.895 31.649 0.246 2
1 433 . 1 1 A 95 95 VAL N N 95 124.444 120.713 3.731 2
1 434 . 1 1 A 96 96 LYS H H 96 8.415 8.606 -0.191 2
1 435 . 1 1 A 96 96 LYS C C 96 176.465 175.741 0.724 2
1 436 . 1 1 A 96 96 LYS CA C 96 55.931 57.023 -1.092 2
1 437 . 1 1 A 96 96 LYS CB C 96 31.895 33.254 -1.359 2
1 438 . 1 1 A 96 96 LYS N N 96 126.971 127.611 -0.640 2
1 439 . 1 1 A 97 97 LYS H H 97 8.499 8.938 -0.439 2
1 440 . 1 1 A 97 97 LYS CA C 97 56.012 54.955 1.057 2
1 441 . 1 1 A 97 97 LYS CB C 97 31.948 34.834 -2.886 2
1 442 . 1 1 A 97 97 LYS N N 97 124.408 122.046 2.362 2
1 443 . 1 1 A 98 98 ASP H H 98 8.426 9.012 -0.586 2
1 444 . 1 1 A 98 98 ASP C C 98 176.226 175.978 0.248 2
1 445 . 1 1 A 98 98 ASP CA C 98 54.061 53.164 0.897 2
1 446 . 1 1 A 98 98 ASP CB C 98 40.358 41.494 -1.136 2
1 447 . 1 1 A 98 98 ASP N N 98 121.792 126.300 -4.508 2
1 448 . 1 1 A 99 99 GLN H H 99 8.375 8.624 -0.249 2
1 449 . 1 1 A 99 99 GLN C C 99 176.014 175.609 0.405 2
1 450 . 1 1 A 99 99 GLN CA C 99 55.370 56.137 -0.767 2
1 451 . 1 1 A 99 99 GLN CB C 99 28.382 31.093 -2.711 2
1 452 . 1 1 A 99 99 GLN N N 99 120.798 122.628 -1.830 2
1 453 . 1 1 A 100 100 LEU H H 100 8.330 7.865 0.465 2
1 454 . 1 1 A 100 100 LEU C C 100 178.008 176.702 1.306 2
1 455 . 1 1 A 100 100 LEU CA C 100 54.970 53.206 1.764 2
1 456 . 1 1 A 100 100 LEU CB C 100 40.944 44.935 -3.991 2
1 457 . 1 1 A 100 100 LEU N N 100 123.452 119.854 3.598 2
1 458 . 1 1 A 101 101 GLY H H 101 8.493 8.553 -0.060 2
1 459 . 1 1 A 101 101 GLY C C 101 174.030 174.475 -0.445 2
1 460 . 1 1 A 101 101 GLY CA C 101 44.816 45.298 -0.482 2
1 461 . 1 1 A 101 101 GLY N N 101 110.358 112.269 -1.911 2
1 462 . 1 1 A 102 102 LYS H H 102 8.230 8.199 0.031 2
1 463 . 1 1 A 102 102 LYS C C 102 176.452 175.643 0.809 2
1 464 . 1 1 A 102 102 LYS CA C 102 55.771 57.069 -1.298 2
1 465 . 1 1 A 102 102 LYS N N 102 121.419 119.414 2.005 2
1 466 . 1 1 A 103 103 ASN H H 103 8.644 8.553 0.091 2
1 467 . 1 1 A 103 103 ASN C C 103 175.294 174.389 0.905 2
1 468 . 1 1 A 103 103 ASN CA C 103 52.992 52.073 0.919 2
1 469 . 1 1 A 103 103 ASN CB C 103 38.070 39.371 -1.301 2
1 470 . 1 1 A 103 103 ASN N N 103 120.549 121.162 -0.613 2
1 471 . 1 1 A 104 104 GLU H H 104 8.504 8.424 0.080 2
1 472 . 1 1 A 104 104 GLU C C 104 176.572 176.369 0.203 2
1 473 . 1 1 A 104 104 GLU CA C 104 56.225 58.746 -2.521 2
1 474 . 1 1 A 104 104 GLU CB C 104 29.180 29.506 -0.326 2
1 475 . 1 1 A 104 104 GLU N N 104 121.958 121.435 0.523 2
1 476 . 1 1 A 105 105 GLU H H 105 8.493 7.693 0.800 2
1 477 . 1 1 A 105 105 GLU C C 105 177.024 175.812 1.212 2
1 478 . 1 1 A 105 105 GLU CA C 105 56.412 56.237 0.175 2
1 479 . 1 1 A 105 105 GLU CB C 105 29.180 32.902 -3.722 2
1 480 . 1 1 A 105 105 GLU N N 105 122.414 118.332 4.082 2
1 481 . 1 1 A 106 106 GLY H H 106 8.454 9.016 -0.562 2
1 482 . 1 1 A 106 106 GLY CA C 106 44.549 46.031 -1.482 2
1 483 . 1 1 A 106 106 GLY N N 106 110.814 112.981 -2.167 2
1 484 . 1 1 A 107 107 ALA H H 107 8.141 7.947 0.194 2
1 485 . 1 1 A 107 107 ALA C C 107 175.600 177.235 -1.635 2
1 486 . 1 1 A 107 107 ALA CA C 107 50.053 52.772 -2.719 2
1 487 . 1 1 A 107 107 ALA CB C 107 17.257 17.380 -0.123 2
1 488 . 1 1 A 107 107 ALA N N 107 125.521 118.724 6.797 2
1 489 . 1 1 A 109 109 GLN H H 109 8.610 8.257 0.353 2
1 490 . 1 1 A 109 109 GLN C C 109 175.999 176.710 -0.711 2
1 491 . 1 1 A 109 109 GLN CA C 109 55.237 57.760 -2.523 2
1 492 . 1 1 A 109 109 GLN CB C 109 28.808 29.164 -0.356 2
1 493 . 1 1 A 109 109 GLN N N 109 121.751 123.168 -1.417 2
1 494 . 1 1 A 110 110 GLU H H 110 8.549 7.952 0.597 2
1 495 . 1 1 A 110 110 GLU C C 110 176.891 175.526 1.365 2
1 496 . 1 1 A 110 110 GLU CA C 110 56.172 56.727 -0.555 2
1 497 . 1 1 A 110 110 GLU CB C 110 29.234 32.979 -3.745 2
1 498 . 1 1 A 110 110 GLU N N 110 123.159 120.444 2.715 2
1 499 . 1 1 A 111 111 GLY H H 111 8.504 7.615 0.889 2
1 500 . 1 1 A 111 111 GLY C C 111 173.751 174.278 -0.527 2
1 501 . 1 1 A 111 111 GLY CA C 111 44.763 45.614 -0.851 2
1 502 . 1 1 A 111 111 GLY N N 111 110.855 106.811 4.044 2
1 503 . 1 1 A 112 112 ILE H H 112 8.029 8.584 -0.555 2
1 504 . 1 1 A 112 112 ILE C C 112 176.279 176.803 -0.524 2
1 505 . 1 1 A 112 112 ILE CA C 112 60.474 63.938 -3.464 2
1 506 . 1 1 A 112 112 ILE CB C 112 37.537 38.093 -0.556 2
1 507 . 1 1 A 112 112 ILE N N 112 120.922 117.866 3.056 2
1 508 . 1 1 A 113 113 LEU H H 113 8.437 7.603 0.834 2
1 509 . 1 1 A 113 113 LEU C C 113 177.117 178.059 -0.942 2
1 510 . 1 1 A 113 113 LEU CA C 113 54.542 54.547 -0.005 2
1 511 . 1 1 A 113 113 LEU CB C 113 41.210 42.301 -1.091 2
1 512 . 1 1 A 113 113 LEU N N 113 127.675 124.565 3.110 2
1 513 . 1 1 A 114 114 GLU H H 114 8.448 9.004 -0.556 2
1 514 . 1 1 A 114 114 GLU C C 114 175.893 175.797 0.096 2
1 515 . 1 1 A 114 114 GLU CA C 114 55.931 57.163 -1.232 2
1 516 . 1 1 A 114 114 GLU CB C 114 29.393 29.744 -0.351 2
1 517 . 1 1 A 114 114 GLU N N 114 122.911 122.067 0.844 2
1 518 . 1 1 A 115 115 ASP H H 115 8.392 8.200 0.192 2
1 519 . 1 1 A 115 115 ASP C C 115 175.786 176.234 -0.448 2
1 520 . 1 1 A 115 115 ASP CA C 115 53.874 55.334 -1.460 2
1 521 . 1 1 A 115 115 ASP CB C 115 40.305 39.999 0.306 2
1 522 . 1 1 A 115 115 ASP N N 115 122.082 118.983 3.099 2
1 523 . 1 1 A 116 116 MET H H 116 8.303 7.905 0.398 2
1 524 . 1 1 A 116 116 MET C C 116 174.123 174.750 -0.627 2
1 525 . 1 1 A 116 116 MET CA C 116 52.779 53.438 -0.659 2
1 526 . 1 1 A 116 116 MET CB C 116 31.469 33.303 -1.834 2
1 527 . 1 1 A 116 116 MET N N 116 122.662 117.811 4.851 2
1 528 . 1 1 A 118 118 VAL H H 118 8.325 7.577 0.748 2
1 529 . 1 1 A 118 118 VAL C C 118 175.790 175.444 0.346 2
1 530 . 1 1 A 118 118 VAL CA C 118 61.409 62.682 -1.273 2
1 531 . 1 1 A 118 118 VAL CB C 118 31.842 32.902 -1.060 2
1 532 . 1 1 A 118 118 VAL N N 118 121.461 118.817 2.644 2
1 533 . 1 1 A 119 119 ASP H H 119 8.549 8.858 -0.309 2
1 534 . 1 1 A 119 119 ASP C C 119 174.722 175.646 -0.924 2
1 535 . 1 1 A 119 119 ASP CA C 119 51.817 50.892 0.925 2
1 536 . 1 1 A 119 119 ASP CB C 119 40.358 41.196 -0.838 2
1 537 . 1 1 A 119 119 ASP N N 119 126.598 127.867 -1.269 2
1 538 . 1 1 A 121 121 ASP H H 121 8.403 8.589 -0.186 2
1 539 . 1 1 A 121 121 ASP C C 121 176.174 176.365 -0.191 2
1 540 . 1 1 A 121 121 ASP CA C 121 54.168 56.407 -2.239 2
1 541 . 1 1 A 121 121 ASP CB C 121 40.199 39.950 0.249 2
1 542 . 1 1 A 121 121 ASP N N 121 119.928 118.072 1.856 2
1 543 . 1 1 A 122 122 ASN H H 122 8.157 7.732 0.425 2
1 544 . 1 1 A 122 122 ASN C C 122 175.343 175.303 0.040 2
1 545 . 1 1 A 122 122 ASN CA C 122 53.099 51.991 1.108 2
1 546 . 1 1 A 122 122 ASN CB C 122 38.549 39.118 -0.569 2
1 547 . 1 1 A 122 122 ASN N N 122 119.721 116.158 3.563 2
1 548 . 1 1 A 123 123 GLU H H 123 8.398 8.157 0.241 2
1 549 . 1 1 A 123 123 GLU C C 123 176.013 175.078 0.935 2
1 550 . 1 1 A 123 123 GLU CA C 123 56.359 58.272 -1.913 2
1 551 . 1 1 A 123 123 GLU CB C 123 29.180 29.812 -0.632 2
1 552 . 1 1 A 123 123 GLU N N 123 122.331 118.422 3.909 2
1 553 . 1 1 A 124 124 ALA H H 124 8.247 8.823 -0.576 2
1 554 . 1 1 A 124 124 ALA C C 124 177.174 177.012 0.162 2
1 555 . 1 1 A 124 124 ALA CA C 124 51.817 51.089 0.728 2
1 556 . 1 1 A 124 124 ALA CB C 124 18.162 19.919 -1.757 2
1 557 . 1 1 A 124 124 ALA N N 124 125.106 117.070 8.036 2
1 558 . 1 1 A 125 125 TYR H H 125 8.074 8.689 -0.615 2
1 559 . 1 1 A 125 125 TYR C C 125 175.334 175.998 -0.664 2
1 560 . 1 1 A 125 125 TYR CA C 125 57.321 60.746 -3.425 2
1 561 . 1 1 A 125 125 TYR CB C 125 38.123 38.598 -0.475 2
1 562 . 1 1 A 125 125 TYR N N 125 120.756 117.544 3.212 2
1 563 . 1 1 A 126 126 GLU H H 126 8.169 8.140 0.029 2
1 564 . 1 1 A 126 126 GLU C C 126 175.386 175.905 -0.519 2
1 565 . 1 1 A 126 126 GLU CA C 126 55.157 55.386 -0.229 2
1 566 . 1 1 A 126 126 GLU CB C 126 29.659 31.059 -1.400 2
1 567 . 1 1 A 126 126 GLU N N 126 124.568 117.089 7.479 2
1 568 . 1 1 A 127 127 MET H H 127 8.459 8.769 -0.310 2
1 569 . 1 1 A 127 127 MET C C 127 174.283 175.162 -0.879 2
1 570 . 1 1 A 127 127 MET CA C 127 52.885 57.593 -4.708 2
1 571 . 1 1 A 127 127 MET CB C 127 31.309 31.265 0.044 2
1 572 . 1 1 A 127 127 MET N N 127 124.609 122.073 2.536 2
1 573 . 1 1 A 129 129 SER H H 129 8.521 8.780 -0.259 2
1 574 . 1 1 A 129 129 SER C C 129 174.789 174.117 0.672 2
1 575 . 1 1 A 129 129 SER CA C 129 57.909 61.489 -3.580 2
1 576 . 1 1 A 129 129 SER CB C 129 63.566 62.688 0.878 2
1 577 . 1 1 A 129 129 SER N N 129 117.442 117.431 0.011 2
1 578 . 1 1 A 130 130 GLU H H 130 8.605 8.079 0.526 2
1 579 . 1 1 A 130 130 GLU C C 130 176.558 175.651 0.907 2
1 580 . 1 1 A 130 130 GLU CA C 130 56.012 57.653 -1.641 2
1 581 . 1 1 A 130 130 GLU CB C 130 29.234 29.641 -0.407 2
1 582 . 1 1 A 130 130 GLU N N 130 123.864 119.650 4.214 2
1 583 . 1 1 A 131 131 GLU H H 131 8.504 8.815 -0.311 2
1 584 . 1 1 A 131 131 GLU C C 131 176.997 176.622 0.375 2
1 585 . 1 1 A 131 131 GLU CA C 131 56.386 55.489 0.897 2
1 586 . 1 1 A 131 131 GLU CB C 131 29.287 30.497 -1.210 2
1 587 . 1 1 A 131 131 GLU N N 131 122.704 121.615 1.089 2
1 588 . 1 1 A 132 132 GLY H H 132 8.431 8.206 0.225 2
1 589 . 1 1 A 132 132 GLY C C 132 173.791 174.319 -0.528 2
1 590 . 1 1 A 132 132 GLY CA C 132 44.656 45.628 -0.972 2
1 591 . 1 1 A 132 132 GLY N N 132 110.565 108.729 1.836 2
1 592 . 1 1 A 133 133 TYR H H 133 8.107 9.295 -1.188 2
1 593 . 1 1 A 133 133 TYR C C 133 175.693 174.454 1.239 2
1 594 . 1 1 A 133 133 TYR CA C 133 57.722 60.454 -2.732 2
1 595 . 1 1 A 133 133 TYR CB C 133 38.123 38.317 -0.194 2
1 596 . 1 1 A 133 133 TYR N N 133 121.005 120.974 0.031 2
1 597 . 1 1 A 134 134 GLN H H 134 8.230 8.157 0.073 2
1 598 . 1 1 A 134 134 GLN C C 134 174.775 174.188 0.587 2
1 599 . 1 1 A 134 134 GLN CA C 134 54.889 54.492 0.397 2
1 600 . 1 1 A 134 134 GLN CB C 134 28.808 31.797 -2.989 2
1 601 . 1 1 A 134 134 GLN N N 134 123.449 113.551 9.898 2
1 602 . 1 1 A 135 135 ASP H H 135 8.258 8.035 0.223 2
1 603 . 1 1 A 135 135 ASP C C 135 175.507 174.903 0.604 2
1 604 . 1 1 A 135 135 ASP CA C 135 53.821 54.542 -0.721 2
1 605 . 1 1 A 135 135 ASP CB C 135 40.358 44.152 -3.794 2
1 606 . 1 1 A 135 135 ASP N N 135 122.331 122.785 -0.454 2
1 607 . 1 1 A 136 136 TYR H H 136 8.079 6.886 1.193 2
1 608 . 1 1 A 136 136 TYR C C 136 175.108 175.501 -0.393 2
1 609 . 1 1 A 136 136 TYR CA C 136 57.161 55.687 1.474 2
1 610 . 1 1 A 136 136 TYR CB C 136 38.282 41.648 -3.366 2
1 611 . 1 1 A 136 136 TYR N N 136 121.129 115.750 5.379 2
1 612 . 1 1 A 137 137 GLU H H 137 8.292 8.929 -0.637 2
1 613 . 1 1 A 137 137 GLU C C 137 173.777 177.160 -3.383 2
1 614 . 1 1 A 137 137 GLU CA C 137 53.153 61.441 -8.288 2
1 615 . 1 1 A 137 137 GLU CB C 137 29.234 28.297 0.937 2
1 616 . 1 1 A 137 137 GLU N N 137 126.059 123.230 2.829 2
1 617 . 1 1 A 139 139 GLU H H 139 8.538 8.983 -0.445 2
1 618 . 1 1 A 139 139 GLU C C 139 175.454 176.464 -1.010 2
1 619 . 1 1 A 139 139 GLU CA C 139 56.145 59.307 -3.162 2
1 620 . 1 1 A 139 139 GLU CB C 139 29.234 29.704 -0.470 2
1 621 . 1 1 A 139 139 GLU N N 139 122.165 120.633 1.532 2
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