data_16302_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16302 _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 8.373 8.492 -0.119 1 1 2 . 1 1 1 A 3 3 VAL C C 3 176.748 177.769 -1.021 1 1 3 . 1 1 1 A 3 3 VAL CA C 3 64.175 65.674 -1.499 1 1 4 . 1 1 1 A 3 3 VAL CB C 3 31.350 31.449 -0.099 1 1 5 . 1 1 1 A 3 3 VAL N N 3 119.319 125.198 -5.879 1 1 6 . 1 1 1 A 4 4 PHE H H 4 8.150 7.797 0.353 1 1 7 . 1 1 1 A 4 4 PHE C C 4 176.748 178.378 -1.630 1 1 8 . 1 1 1 A 4 4 PHE CA C 4 59.580 60.756 -1.176 1 1 9 . 1 1 1 A 4 4 PHE CB C 4 38.004 38.800 -0.796 1 1 10 . 1 1 1 A 4 4 PHE N N 4 121.120 119.696 1.424 1 1 11 . 1 1 1 A 5 5 MET H H 5 8.269 8.104 0.165 1 1 12 . 1 1 1 A 5 5 MET C C 5 178.752 178.865 -0.113 1 1 13 . 1 1 1 A 5 5 MET CA C 5 56.667 59.258 -2.591 1 1 14 . 1 1 1 A 5 5 MET CB C 5 30.445 32.684 -2.239 1 1 15 . 1 1 1 A 5 5 MET N N 5 118.681 117.836 0.845 1 1 16 . 1 1 1 A 6 6 LYS H H 6 8.312 7.671 0.641 1 1 17 . 1 1 1 A 6 6 LYS C C 6 179.114 179.264 -0.150 1 1 18 . 1 1 1 A 6 6 LYS CA C 6 58.351 59.313 -0.962 1 1 19 . 1 1 1 A 6 6 LYS CB C 6 30.924 32.320 -1.396 1 1 20 . 1 1 1 A 6 6 LYS N N 6 121.040 119.038 2.002 1 1 21 . 1 1 1 A 7 7 GLY H H 7 8.290 7.876 0.414 1 1 22 . 1 1 1 A 7 7 GLY C C 7 175.016 175.649 -0.633 1 1 23 . 1 1 1 A 7 7 GLY CA C 7 46.461 46.953 -0.492 1 1 24 . 1 1 1 A 7 7 GLY N N 7 108.714 107.359 1.355 1 1 25 . 1 1 1 A 8 8 LEU H H 8 8.308 8.061 0.247 1 1 26 . 1 1 1 A 8 8 LEU C C 8 178.440 178.405 0.035 1 1 27 . 1 1 1 A 8 8 LEU CA C 8 57.229 57.493 -0.264 1 1 28 . 1 1 1 A 8 8 LEU CB C 8 40.452 41.716 -1.264 1 1 29 . 1 1 1 A 8 8 LEU N N 8 122.169 123.898 -1.729 1 1 30 . 1 1 1 A 9 9 SER H H 9 8.144 8.496 -0.352 1 1 31 . 1 1 1 A 9 9 SER C C 9 176.785 176.907 -0.122 1 1 32 . 1 1 1 A 9 9 SER CA C 9 61.504 60.954 0.550 1 1 33 . 1 1 1 A 9 9 SER N N 9 114.437 114.558 -0.121 1 1 34 . 1 1 1 A 10 10 LYS H H 10 7.865 7.807 0.058 1 1 35 . 1 1 1 A 10 10 LYS C C 10 178.954 178.413 0.541 1 1 36 . 1 1 1 A 10 10 LYS CA C 10 57.816 58.887 -1.071 1 1 37 . 1 1 1 A 10 10 LYS CB C 10 30.871 32.296 -1.425 1 1 38 . 1 1 1 A 10 10 LYS N N 10 122.041 121.540 0.501 1 1 39 . 1 1 1 A 11 11 ALA H H 11 8.226 7.687 0.539 1 1 40 . 1 1 1 A 11 11 ALA C C 11 178.661 179.095 -0.434 1 1 41 . 1 1 1 A 11 11 ALA CA C 11 54.396 55.476 -1.080 1 1 42 . 1 1 1 A 11 11 ALA CB C 11 17.138 18.413 -1.275 1 1 43 . 1 1 1 A 11 11 ALA N N 11 122.974 121.809 1.165 1 1 44 . 1 1 1 A 12 12 LYS H H 12 8.290 7.724 0.566 1 1 45 . 1 1 1 A 12 12 LYS C C 12 177.817 178.438 -0.621 1 1 46 . 1 1 1 A 12 12 LYS CA C 12 59.794 59.650 0.144 1 1 47 . 1 1 1 A 12 12 LYS CB C 12 30.978 32.226 -1.248 1 1 48 . 1 1 1 A 12 12 LYS N N 12 118.159 118.425 -0.266 1 1 49 . 1 1 1 A 13 13 GLU H H 13 8.010 7.724 0.286 1 1 50 . 1 1 1 A 13 13 GLU C C 13 179.753 179.026 0.727 1 1 51 . 1 1 1 A 13 13 GLU CA C 13 58.805 59.487 -0.682 1 1 52 . 1 1 1 A 13 13 GLU CB C 13 28.423 29.117 -0.694 1 1 53 . 1 1 1 A 13 13 GLU N N 13 117.638 119.358 -1.720 1 1 54 . 1 1 1 A 14 14 GLY H H 14 8.234 8.149 0.085 1 1 55 . 1 1 1 A 14 14 GLY C C 14 175.693 175.572 0.121 1 1 56 . 1 1 1 A 14 14 GLY CA C 14 46.541 47.129 -0.588 1 1 57 . 1 1 1 A 14 14 GLY N N 14 107.994 107.691 0.303 1 1 58 . 1 1 1 A 15 15 VAL H H 15 8.273 8.306 -0.033 1 1 59 . 1 1 1 A 15 15 VAL C C 15 177.215 178.384 -1.169 1 1 60 . 1 1 1 A 15 15 VAL CA C 15 66.233 65.894 0.339 1 1 61 . 1 1 1 A 15 15 VAL CB C 15 30.871 31.858 -0.987 1 1 62 . 1 1 1 A 15 15 VAL N N 15 122.881 122.540 0.341 1 1 63 . 1 1 1 A 16 16 VAL H H 16 8.150 8.056 0.094 1 1 64 . 1 1 1 A 16 16 VAL C C 16 178.284 177.694 0.590 1 1 65 . 1 1 1 A 16 16 VAL CA C 16 66.393 66.397 -0.004 1 1 66 . 1 1 1 A 16 16 VAL CB C 16 30.871 31.374 -0.503 1 1 67 . 1 1 1 A 16 16 VAL N N 16 120.400 120.984 -0.584 1 1 68 . 1 1 1 A 17 17 ALA H H 17 7.960 8.313 -0.353 1 1 69 . 1 1 1 A 17 17 ALA C C 17 180.441 179.756 0.685 1 1 70 . 1 1 1 A 17 17 ALA CA C 17 54.263 55.657 -1.394 1 1 71 . 1 1 1 A 17 17 ALA CB C 17 17.191 17.825 -0.634 1 1 72 . 1 1 1 A 17 17 ALA N N 17 121.760 121.998 -0.238 1 1 73 . 1 1 1 A 18 18 ALA H H 18 8.060 8.225 -0.165 1 1 74 . 1 1 1 A 18 18 ALA C C 18 179.919 179.495 0.424 1 1 75 . 1 1 1 A 18 18 ALA CA C 18 54.102 54.820 -0.718 1 1 76 . 1 1 1 A 18 18 ALA CB C 18 17.298 18.381 -1.083 1 1 77 . 1 1 1 A 18 18 ALA N N 18 121.440 119.967 1.473 1 1 78 . 1 1 1 A 19 19 ALA H H 19 8.508 7.921 0.587 1 1 79 . 1 1 1 A 19 19 ALA C C 19 179.326 180.202 -0.876 1 1 80 . 1 1 1 A 19 19 ALA CA C 19 54.583 55.430 -0.847 1 1 81 . 1 1 1 A 19 19 ALA CB C 19 17.298 18.132 -0.834 1 1 82 . 1 1 1 A 19 19 ALA N N 19 122.961 120.614 2.347 1 1 83 . 1 1 1 A 20 20 GLU H H 20 8.239 7.966 0.273 1 1 84 . 1 1 1 A 20 20 GLU C C 20 178.874 178.938 -0.064 1 1 85 . 1 1 1 A 20 20 GLU CA C 20 58.728 59.575 -0.847 1 1 86 . 1 1 1 A 20 20 GLU CB C 20 28.423 29.245 -0.822 1 1 87 . 1 1 1 A 20 20 GLU N N 20 119.039 118.103 0.936 1 1 88 . 1 1 1 A 21 21 LYS H H 21 7.960 7.447 0.513 1 1 89 . 1 1 1 A 21 21 LYS C C 21 178.994 179.114 -0.120 1 1 90 . 1 1 1 A 21 21 LYS CA C 21 58.244 59.050 -0.806 1 1 91 . 1 1 1 A 21 21 LYS CB C 21 31.350 32.285 -0.935 1 1 92 . 1 1 1 A 21 21 LYS N N 21 119.359 121.143 -1.784 1 1 93 . 1 1 1 A 22 22 THR H H 22 7.988 8.777 -0.789 1 1 94 . 1 1 1 A 22 22 THR C C 22 175.787 176.274 -0.487 1 1 95 . 1 1 1 A 22 22 THR CA C 22 65.030 66.790 -1.760 1 1 96 . 1 1 1 A 22 22 THR CB C 22 68.078 68.315 -0.237 1 1 97 . 1 1 1 A 22 22 THR N N 22 115.517 115.600 -0.083 1 1 98 . 1 1 1 A 23 23 LYS H H 23 8.128 8.528 -0.400 1 1 99 . 1 1 1 A 23 23 LYS C C 23 177.996 177.912 0.084 1 1 100 . 1 1 1 A 23 23 LYS CA C 23 58.671 58.966 -0.295 1 1 101 . 1 1 1 A 23 23 LYS CB C 23 31.244 31.725 -0.481 1 1 102 . 1 1 1 A 23 23 LYS N N 23 122.081 120.284 1.797 1 1 103 . 1 1 1 A 24 24 GLN H H 24 8.038 7.852 0.186 1 1 104 . 1 1 1 A 24 24 GLN C C 24 177.717 178.448 -0.731 1 1 105 . 1 1 1 A 24 24 GLN CA C 24 57.122 59.069 -1.947 1 1 106 . 1 1 1 A 24 24 GLN CB C 24 27.731 28.304 -0.573 1 1 107 . 1 1 1 A 24 24 GLN N N 24 118.719 119.346 -0.627 1 1 108 . 1 1 1 A 25 25 GLY H H 25 8.195 8.346 -0.151 1 1 109 . 1 1 1 A 25 25 GLY C C 25 175.561 176.083 -0.522 1 1 110 . 1 1 1 A 25 25 GLY CA C 25 45.900 47.216 -1.316 1 1 111 . 1 1 1 A 25 25 GLY N N 25 108.794 107.043 1.751 1 1 112 . 1 1 1 A 26 26 VAL H H 26 8.166 7.930 0.236 1 1 113 . 1 1 1 A 26 26 VAL C C 26 176.798 177.771 -0.973 1 1 114 . 1 1 1 A 26 26 VAL CA C 26 64.256 65.350 -1.094 1 1 115 . 1 1 1 A 26 26 VAL CB C 26 31.350 31.536 -0.186 1 1 116 . 1 1 1 A 26 26 VAL N N 26 121.127 120.480 0.647 1 1 117 . 1 1 1 A 27 27 ALA H H 27 8.161 8.263 -0.102 1 1 118 . 1 1 1 A 27 27 ALA C C 27 179.606 180.192 -0.586 1 1 119 . 1 1 1 A 27 27 ALA CA C 27 53.889 55.939 -2.050 1 1 120 . 1 1 1 A 27 27 ALA CB C 27 17.191 18.057 -0.866 1 1 121 . 1 1 1 A 27 27 ALA N N 27 124.362 124.182 0.180 1 1 122 . 1 1 1 A 28 28 GLU H H 28 8.211 7.747 0.464 1 1 123 . 1 1 1 A 28 28 GLU C C 28 177.730 178.998 -1.268 1 1 124 . 1 1 1 A 28 28 GLU CA C 28 57.362 59.027 -1.665 1 1 125 . 1 1 1 A 28 28 GLU CB C 28 28.742 29.319 -0.577 1 1 126 . 1 1 1 A 28 28 GLU N N 28 118.959 118.012 0.947 1 1 127 . 1 1 1 A 29 29 ALA H H 29 8.010 8.081 -0.071 1 1 128 . 1 1 1 A 29 29 ALA C C 29 178.502 179.530 -1.028 1 1 129 . 1 1 1 A 29 29 ALA CA C 29 53.167 54.977 -1.810 1 1 130 . 1 1 1 A 29 29 ALA CB C 29 17.777 17.941 -0.164 1 1 131 . 1 1 1 A 29 29 ALA N N 29 123.481 123.322 0.159 1 1 132 . 1 1 1 A 30 30 ALA H H 30 8.301 8.420 -0.119 1 1 133 . 1 1 1 A 30 30 ALA C C 30 178.781 180.360 -1.579 1 1 134 . 1 1 1 A 30 30 ALA CA C 30 53.194 55.124 -1.930 1 1 135 . 1 1 1 A 30 30 ALA CB C 30 17.724 18.349 -0.625 1 1 136 . 1 1 1 A 30 30 ALA N N 30 122.175 120.155 2.020 1 1 137 . 1 1 1 A 31 31 GLY H H 31 8.234 7.909 0.325 1 1 138 . 1 1 1 A 31 31 GLY C C 31 174.962 175.479 -0.517 1 1 139 . 1 1 1 A 31 31 GLY CA C 31 45.606 47.020 -1.414 1 1 140 . 1 1 1 A 31 31 GLY N N 31 107.313 107.199 0.114 1 1 141 . 1 1 1 A 32 32 LYS H H 32 8.030 7.905 0.125 1 1 142 . 1 1 1 A 32 32 LYS C C 32 177.557 179.283 -1.726 1 1 143 . 1 1 1 A 32 32 LYS CA C 32 56.561 58.111 -1.550 1 1 144 . 1 1 1 A 32 32 LYS CB C 32 31.616 32.482 -0.866 1 1 145 . 1 1 1 A 32 32 LYS N N 32 121.084 121.497 -0.413 1 1 146 . 1 1 1 A 33 33 THR H H 33 8.116 8.635 -0.519 1 1 147 . 1 1 1 A 33 33 THR C C 33 175.215 176.323 -1.108 1 1 148 . 1 1 1 A 33 33 THR CA C 33 63.214 66.396 -3.182 1 1 149 . 1 1 1 A 33 33 THR CB C 33 68.451 68.278 0.173 1 1 150 . 1 1 1 A 33 33 THR N N 33 115.597 117.006 -1.409 1 1 151 . 1 1 1 A 34 34 LYS H H 34 8.313 7.856 0.457 1 1 152 . 1 1 1 A 34 34 LYS C C 34 176.998 178.279 -1.281 1 1 153 . 1 1 1 A 34 34 LYS CA C 34 57.496 59.567 -2.071 1 1 154 . 1 1 1 A 34 34 LYS CB C 34 31.297 31.995 -0.698 1 1 155 . 1 1 1 A 34 34 LYS N N 34 123.096 121.219 1.877 1 1 156 . 1 1 1 A 35 35 GLU H H 35 8.278 7.697 0.581 1 1 157 . 1 1 1 A 35 35 GLU C C 35 177.836 179.041 -1.205 1 1 158 . 1 1 1 A 35 35 GLU CA C 35 57.255 59.395 -2.140 1 1 159 . 1 1 1 A 35 35 GLU CB C 35 28.848 29.050 -0.202 1 1 160 . 1 1 1 A 35 35 GLU N N 35 120.040 119.417 0.623 1 1 161 . 1 1 1 A 36 36 GLY H H 36 8.318 8.030 0.288 1 1 162 . 1 1 1 A 36 36 GLY C C 36 174.350 175.854 -1.504 1 1 163 . 1 1 1 A 36 36 GLY CA C 36 45.686 47.374 -1.688 1 1 164 . 1 1 1 A 36 36 GLY N N 36 109.554 107.303 2.251 1 1 165 . 1 1 1 A 37 37 VAL H H 37 8.049 7.532 0.517 1 1 166 . 1 1 1 A 37 37 VAL C C 37 176.346 176.217 0.129 1 1 167 . 1 1 1 A 37 37 VAL CA C 37 63.454 65.494 -2.040 1 1 168 . 1 1 1 A 37 37 VAL CB C 37 31.669 31.503 0.166 1 1 169 . 1 1 1 A 37 37 VAL N N 37 120.160 120.695 -0.535 1 1 170 . 1 1 1 A 38 38 LEU H H 38 8.205 7.294 0.911 1 1 171 . 1 1 1 A 38 38 LEU C C 38 177.211 176.061 1.150 1 1 172 . 1 1 1 A 38 38 LEU CA C 38 55.652 54.000 1.652 1 1 173 . 1 1 1 A 38 38 LEU CB C 38 41.038 42.709 -1.671 1 1 174 . 1 1 1 A 38 38 LEU N N 38 122.929 123.630 -0.701 1 1 175 . 1 1 1 A 39 39 TYR H H 39 8.133 8.960 -0.827 1 1 176 . 1 1 1 A 39 39 TYR C C 39 176.146 176.122 0.024 1 1 177 . 1 1 1 A 39 39 TYR CA C 39 58.752 58.809 -0.057 1 1 178 . 1 1 1 A 39 39 TYR CB C 39 38.004 39.409 -1.405 1 1 179 . 1 1 1 A 39 39 TYR N N 39 121.246 126.910 -5.664 1 1 180 . 1 1 1 A 40 40 VAL H H 40 8.100 8.734 -0.634 1 1 181 . 1 1 1 A 40 40 VAL C C 40 176.932 176.734 0.198 1 1 182 . 1 1 1 A 40 40 VAL CA C 40 63.000 61.429 1.571 1 1 183 . 1 1 1 A 40 40 VAL CB C 40 31.723 33.375 -1.652 1 1 184 . 1 1 1 A 40 40 VAL N N 40 120.600 121.843 -1.243 1 1 185 . 1 1 1 A 41 41 GLY H H 41 8.322 8.797 -0.475 1 1 186 . 1 1 1 A 41 41 GLY C C 41 174.457 175.406 -0.949 1 1 187 . 1 1 1 A 41 41 GLY CA C 41 45.633 46.897 -1.264 1 1 188 . 1 1 1 A 41 41 GLY N N 41 111.092 114.112 -3.020 1 1 189 . 1 1 1 A 42 42 SER H H 42 8.312 8.157 0.155 1 1 190 . 1 1 1 A 42 42 SER C C 42 175.774 175.087 0.687 1 1 191 . 1 1 1 A 42 42 SER CA C 42 59.874 61.058 -1.184 1 1 192 . 1 1 1 A 42 42 SER CB C 42 62.649 63.281 -0.632 1 1 193 . 1 1 1 A 42 42 SER N N 42 116.718 116.929 -0.211 1 1 194 . 1 1 1 A 43 43 LYS H H 43 8.361 7.536 0.825 1 1 195 . 1 1 1 A 43 43 LYS C C 43 178.070 174.615 3.455 1 1 196 . 1 1 1 A 43 43 LYS CA C 43 56.774 55.567 1.207 1 1 197 . 1 1 1 A 43 43 LYS CB C 43 31.190 31.700 -0.510 1 1 198 . 1 1 1 A 43 43 LYS N N 43 122.797 120.356 2.441 1 1 199 . 1 1 1 A 44 44 THR H H 44 8.116 8.000 0.116 1 1 200 . 1 1 1 A 44 44 THR C C 44 175.428 176.065 -0.637 1 1 201 . 1 1 1 A 44 44 THR CA C 44 63.561 61.421 2.140 1 1 202 . 1 1 1 A 44 44 THR CB C 44 68.664 70.288 -1.624 1 1 203 . 1 1 1 A 44 44 THR N N 44 115.197 119.799 -4.602 1 1 204 . 1 1 1 A 45 45 LYS H H 45 8.362 8.976 -0.614 1 1 205 . 1 1 1 A 45 45 LYS C C 45 177.464 178.972 -1.508 1 1 206 . 1 1 1 A 45 45 LYS CA C 45 59.339 60.433 -1.094 1 1 207 . 1 1 1 A 45 45 LYS CB C 45 30.978 32.295 -1.317 1 1 208 . 1 1 1 A 45 45 LYS N N 45 122.281 125.041 -2.760 1 1 209 . 1 1 1 A 46 46 GLU H H 46 8.334 8.177 0.157 1 1 210 . 1 1 1 A 46 46 GLU C C 46 178.595 179.191 -0.596 1 1 211 . 1 1 1 A 46 46 GLU CA C 46 58.458 59.839 -1.381 1 1 212 . 1 1 1 A 46 46 GLU CB C 46 28.529 29.314 -0.785 1 1 213 . 1 1 1 A 46 46 GLU N N 46 118.319 119.109 -0.790 1 1 214 . 1 1 1 A 47 47 GLY H H 47 8.189 8.131 0.058 1 1 215 . 1 1 1 A 47 47 GLY C C 47 176.240 176.025 0.215 1 1 216 . 1 1 1 A 47 47 GLY CA C 47 46.194 47.538 -1.344 1 1 217 . 1 1 1 A 47 47 GLY N N 47 108.474 107.437 1.037 1 1 218 . 1 1 1 A 48 48 VAL H H 48 8.224 8.032 0.192 1 1 219 . 1 1 1 A 48 48 VAL C C 48 177.059 177.902 -0.843 1 1 220 . 1 1 1 A 48 48 VAL CA C 48 65.592 66.037 -0.445 1 1 221 . 1 1 1 A 48 48 VAL CB C 48 31.403 31.817 -0.414 1 1 222 . 1 1 1 A 48 48 VAL N N 48 122.476 122.250 0.226 1 1 223 . 1 1 1 A 49 49 VAL H H 49 8.239 7.882 0.357 1 1 224 . 1 1 1 A 49 49 VAL C C 49 177.690 178.093 -0.403 1 1 225 . 1 1 1 A 49 49 VAL CA C 49 66.019 66.392 -0.373 1 1 226 . 1 1 1 A 49 49 VAL CB C 49 30.978 31.517 -0.539 1 1 227 . 1 1 1 A 49 49 VAL N N 49 120.200 119.996 0.204 1 1 228 . 1 1 1 A 50 50 HIS H H 50 8.267 7.974 0.293 1 1 229 . 1 1 1 A 50 50 HIS C C 50 177.650 177.803 -0.153 1 1 230 . 1 1 1 A 50 50 HIS CA C 50 57.977 59.020 -1.043 1 1 231 . 1 1 1 A 50 50 HIS CB C 50 28.423 29.829 -1.406 1 1 232 . 1 1 1 A 50 50 HIS N N 50 118.759 118.812 -0.053 1 1 233 . 1 1 1 A 51 51 GLY H H 51 8.413 8.199 0.214 1 1 234 . 1 1 1 A 51 51 GLY C C 51 175.215 175.872 -0.657 1 1 235 . 1 1 1 A 51 51 GLY CA C 51 46.648 47.224 -0.576 1 1 236 . 1 1 1 A 51 51 GLY N N 51 109.634 106.253 3.381 1 1 237 . 1 1 1 A 52 52 VAL H H 52 8.474 7.991 0.483 1 1 238 . 1 1 1 A 52 52 VAL C C 52 176.945 178.024 -1.079 1 1 239 . 1 1 1 A 52 52 VAL CA C 52 65.565 65.346 0.219 1 1 240 . 1 1 1 A 52 52 VAL CB C 52 30.871 31.480 -0.609 1 1 241 . 1 1 1 A 52 52 VAL N N 52 121.400 121.102 0.298 1 1 242 . 1 1 1 A 53 53 ALA H H 53 8.155 7.854 0.301 1 1 243 . 1 1 1 A 53 53 ALA C C 53 179.992 180.135 -0.143 1 1 244 . 1 1 1 A 53 53 ALA CA C 53 54.583 55.281 -0.698 1 1 245 . 1 1 1 A 53 53 ALA CB C 53 17.244 18.349 -1.105 1 1 246 . 1 1 1 A 53 53 ALA N N 53 122.441 124.244 -1.803 1 1 247 . 1 1 1 A 54 54 THR H H 54 7.965 7.560 0.405 1 1 248 . 1 1 1 A 54 54 THR C C 54 176.319 176.477 -0.158 1 1 249 . 1 1 1 A 54 54 THR CA C 54 64.950 66.212 -1.262 1 1 250 . 1 1 1 A 54 54 THR CB C 54 68.291 68.258 0.033 1 1 251 . 1 1 1 A 54 54 THR N N 54 113.917 114.806 -0.889 1 1 252 . 1 1 1 A 55 55 VAL H H 55 7.898 8.216 -0.318 1 1 253 . 1 1 1 A 55 55 VAL C C 55 177.983 178.387 -0.404 1 1 254 . 1 1 1 A 55 55 VAL CA C 55 65.057 65.978 -0.921 1 1 255 . 1 1 1 A 55 55 VAL CB C 55 31.031 31.273 -0.242 1 1 256 . 1 1 1 A 55 55 VAL N N 55 121.800 121.106 0.694 1 1 257 . 1 1 1 A 56 56 ALA H H 56 8.659 7.712 0.947 1 1 258 . 1 1 1 A 56 56 ALA C C 56 178.781 179.441 -0.660 1 1 259 . 1 1 1 A 56 56 ALA CA C 56 54.530 55.029 -0.499 1 1 260 . 1 1 1 A 56 56 ALA CB C 56 17.404 18.235 -0.831 1 1 261 . 1 1 1 A 56 56 ALA N N 56 125.282 122.419 2.863 1 1 262 . 1 1 1 A 57 57 GLU H H 57 8.100 7.715 0.385 1 1 263 . 1 1 1 A 57 57 GLU CA C 57 58.778 59.169 -0.391 1 1 264 . 1 1 1 A 57 57 GLU CB C 57 28.635 29.790 -1.155 1 1 265 . 1 1 1 A 57 57 GLU N N 57 118.719 118.920 -0.201 1 1 266 . 1 1 1 A 58 58 LYS H H 58 8.094 7.453 0.641 1 1 267 . 1 1 1 A 58 58 LYS C C 58 178.688 179.316 -0.628 1 1 268 . 1 1 1 A 58 58 LYS CA C 58 57.709 59.144 -1.435 1 1 269 . 1 1 1 A 58 58 LYS CB C 58 31.350 32.504 -1.154 1 1 270 . 1 1 1 A 58 58 LYS N N 58 118.959 119.492 -0.533 1 1 271 . 1 1 1 A 59 59 THR H H 59 8.044 7.915 0.129 1 1 272 . 1 1 1 A 59 59 THR C C 59 175.920 176.602 -0.682 1 1 273 . 1 1 1 A 59 59 THR CA C 59 65.030 66.448 -1.418 1 1 274 . 1 1 1 A 59 59 THR CB C 59 68.131 68.778 -0.647 1 1 275 . 1 1 1 A 59 59 THR N N 59 114.837 117.537 -2.700 1 1 276 . 1 1 1 A 60 60 LYS H H 60 8.060 7.943 0.117 1 1 277 . 1 1 1 A 60 60 LYS C C 60 178.329 179.343 -1.014 1 1 278 . 1 1 1 A 60 60 LYS CA C 60 59.286 59.440 -0.154 1 1 279 . 1 1 1 A 60 60 LYS CB C 60 31.084 32.245 -1.161 1 1 280 . 1 1 1 A 60 60 LYS N N 60 121.800 119.555 2.245 1 1 281 . 1 1 1 A 61 61 GLU H H 61 8.021 8.223 -0.202 1 1 282 . 1 1 1 A 61 61 GLU C C 61 177.876 178.765 -0.889 1 1 283 . 1 1 1 A 61 61 GLU CA C 61 58.244 59.102 -0.858 1 1 284 . 1 1 1 A 61 61 GLU CB C 61 28.689 28.932 -0.243 1 1 285 . 1 1 1 A 61 61 GLU N N 61 119.079 120.042 -0.963 1 1 286 . 1 1 1 A 62 62 GLN H H 62 7.926 7.624 0.302 1 1 287 . 1 1 1 A 62 62 GLN C C 62 177.823 178.068 -0.245 1 1 288 . 1 1 1 A 62 62 GLN CA C 62 57.202 58.520 -1.318 1 1 289 . 1 1 1 A 62 62 GLN CB C 62 28.210 28.805 -0.595 1 1 290 . 1 1 1 A 62 62 GLN N N 62 118.159 120.100 -1.941 1 1 291 . 1 1 1 A 63 63 VAL H H 63 8.189 7.841 0.348 1 1 292 . 1 1 1 A 63 63 VAL C C 63 177.011 177.937 -0.926 1 1 293 . 1 1 1 A 63 63 VAL CA C 63 64.550 65.709 -1.159 1 1 294 . 1 1 1 A 63 63 VAL CB C 63 31.031 31.400 -0.369 1 1 295 . 1 1 1 A 63 63 VAL N N 63 118.679 118.887 -0.208 1 1 296 . 1 1 1 A 64 64 THR H H 64 8.077 7.832 0.245 1 1 297 . 1 1 1 A 64 64 THR C C 64 175.654 177.441 -1.787 1 1 298 . 1 1 1 A 64 64 THR CA C 64 64.229 65.902 -1.673 1 1 299 . 1 1 1 A 64 64 THR CB C 64 68.451 68.376 0.075 1 1 300 . 1 1 1 A 64 64 THR N N 64 115.157 114.187 0.970 1 1 301 . 1 1 1 A 65 65 ASN H H 65 8.178 7.771 0.407 1 1 302 . 1 1 1 A 65 65 ASN C C 65 176.601 177.973 -1.372 1 1 303 . 1 1 1 A 65 65 ASN CA C 65 54.263 56.148 -1.885 1 1 304 . 1 1 1 A 65 65 ASN CB C 65 37.897 38.797 -0.900 1 1 305 . 1 1 1 A 65 65 ASN N N 65 120.680 121.504 -0.824 1 1 306 . 1 1 1 A 66 66 VAL H H 66 8.144 8.305 -0.161 1 1 307 . 1 1 1 A 66 66 VAL C C 66 177.007 178.274 -1.267 1 1 308 . 1 1 1 A 66 66 VAL CA C 66 63.695 66.461 -2.766 1 1 309 . 1 1 1 A 66 66 VAL CB C 66 31.403 31.393 0.010 1 1 310 . 1 1 1 A 66 66 VAL N N 66 119.399 120.484 -1.085 1 1 311 . 1 1 1 A 67 67 GLY H H 67 8.446 8.866 -0.420 1 1 312 . 1 1 1 A 67 67 GLY C C 67 175.109 176.354 -1.245 1 1 313 . 1 1 1 A 67 67 GLY CA C 67 46.381 47.257 -0.876 1 1 314 . 1 1 1 A 67 67 GLY N N 67 109.674 108.486 1.188 1 1 315 . 1 1 1 A 68 68 GLY H H 68 8.312 8.549 -0.237 1 1 316 . 1 1 1 A 68 68 GLY C C 68 175.468 175.918 -0.450 1 1 317 . 1 1 1 A 68 68 GLY CA C 68 46.274 46.146 0.128 1 1 318 . 1 1 1 A 68 68 GLY N N 68 108.634 109.857 -1.223 1 1 319 . 1 1 1 A 69 69 ALA H H 69 8.105 8.495 -0.390 1 1 320 . 1 1 1 A 69 69 ALA C C 69 179.939 179.628 0.311 1 1 321 . 1 1 1 A 69 69 ALA CA C 69 53.866 54.628 -0.762 1 1 322 . 1 1 1 A 69 69 ALA CB C 69 17.617 18.728 -1.111 1 1 323 . 1 1 1 A 69 69 ALA N N 69 124.842 123.619 1.223 1 1 324 . 1 1 1 A 70 70 VAL H H 70 8.144 8.080 0.064 1 1 325 . 1 1 1 A 70 70 VAL CA C 70 65.378 65.560 -0.182 1 1 326 . 1 1 1 A 70 70 VAL CB C 70 31.137 31.502 -0.365 1 1 327 . 1 1 1 A 70 70 VAL N N 70 119.159 116.322 2.837 1 1 328 . 1 1 1 A 71 71 VAL H H 71 8.094 7.671 0.423 1 1 329 . 1 1 1 A 71 71 VAL C C 71 178.568 178.233 0.335 1 1 330 . 1 1 1 A 71 71 VAL CA C 71 66.046 66.749 -0.703 1 1 331 . 1 1 1 A 71 71 VAL CB C 71 31.137 31.693 -0.556 1 1 332 . 1 1 1 A 71 71 VAL N N 71 120.080 121.402 -1.322 1 1 333 . 1 1 1 A 72 72 THR H H 72 8.301 7.621 0.680 1 1 334 . 1 1 1 A 72 72 THR C C 72 176.665 177.133 -0.468 1 1 335 . 1 1 1 A 72 72 THR CA C 72 65.298 65.439 -0.141 1 1 336 . 1 1 1 A 72 72 THR CB C 72 68.078 67.931 0.147 1 1 337 . 1 1 1 A 72 72 THR N N 72 117.438 112.041 5.397 1 1 338 . 1 1 1 A 73 73 GLY H H 73 8.278 8.500 -0.222 1 1 339 . 1 1 1 A 73 73 GLY C C 73 175.242 175.569 -0.327 1 1 340 . 1 1 1 A 73 73 GLY CA C 73 46.728 47.239 -0.511 1 1 341 . 1 1 1 A 73 73 GLY N N 73 110.835 111.733 -0.898 1 1 342 . 1 1 1 A 74 74 VAL H H 74 8.575 8.398 0.177 1 1 343 . 1 1 1 A 74 74 VAL C C 74 177.437 177.921 -0.484 1 1 344 . 1 1 1 A 74 74 VAL CA C 74 65.752 65.703 0.049 1 1 345 . 1 1 1 A 74 74 VAL CB C 74 30.871 31.742 -0.871 1 1 346 . 1 1 1 A 74 74 VAL N N 74 120.920 122.701 -1.781 1 1 347 . 1 1 1 A 75 75 THR H H 75 8.145 8.001 0.144 1 1 348 . 1 1 1 A 75 75 THR C C 75 175.880 176.472 -0.592 1 1 349 . 1 1 1 A 75 75 THR CA C 75 66.260 66.704 -0.444 1 1 350 . 1 1 1 A 75 75 THR CB C 75 67.865 68.479 -0.614 1 1 351 . 1 1 1 A 75 75 THR N N 75 115.589 116.965 -1.376 1 1 352 . 1 1 1 A 76 76 ALA H H 76 7.837 7.715 0.122 1 1 353 . 1 1 1 A 76 76 ALA C C 76 180.537 180.413 0.124 1 1 354 . 1 1 1 A 76 76 ALA CA C 76 54.530 55.110 -0.580 1 1 355 . 1 1 1 A 76 76 ALA CB C 76 17.298 18.041 -0.743 1 1 356 . 1 1 1 A 76 76 ALA N N 76 123.761 123.676 0.085 1 1 357 . 1 1 1 A 77 77 VAL H H 77 7.820 7.885 -0.065 1 1 358 . 1 1 1 A 77 77 VAL C C 77 178.395 177.940 0.455 1 1 359 . 1 1 1 A 77 77 VAL CA C 77 65.084 66.328 -1.244 1 1 360 . 1 1 1 A 77 77 VAL CB C 77 31.190 31.466 -0.276 1 1 361 . 1 1 1 A 77 77 VAL N N 77 117.959 118.856 -0.897 1 1 362 . 1 1 1 A 78 78 ALA H H 78 8.519 8.486 0.033 1 1 363 . 1 1 1 A 78 78 ALA C C 78 178.728 179.992 -1.264 1 1 364 . 1 1 1 A 78 78 ALA CA C 78 54.770 55.907 -1.137 1 1 365 . 1 1 1 A 78 78 ALA CB C 78 17.404 18.315 -0.911 1 1 366 . 1 1 1 A 78 78 ALA N N 78 124.922 121.759 3.163 1 1 367 . 1 1 1 A 79 79 GLN H H 79 8.245 7.931 0.314 1 1 368 . 1 1 1 A 79 79 GLN C C 79 177.889 177.938 -0.049 1 1 369 . 1 1 1 A 79 79 GLN CA C 79 58.110 57.804 0.306 1 1 370 . 1 1 1 A 79 79 GLN CB C 79 27.358 28.556 -1.198 1 1 371 . 1 1 1 A 79 79 GLN N N 79 116.958 116.787 0.171 1 1 372 . 1 1 1 A 80 80 LYS H H 80 7.926 7.518 0.408 1 1 373 . 1 1 1 A 80 80 LYS C C 80 178.608 179.415 -0.807 1 1 374 . 1 1 1 A 80 80 LYS CA C 80 57.763 58.884 -1.121 1 1 375 . 1 1 1 A 80 80 LYS CB C 80 31.297 31.900 -0.603 1 1 376 . 1 1 1 A 80 80 LYS N N 80 119.119 120.840 -1.721 1 1 377 . 1 1 1 A 81 81 THR H H 81 8.066 7.592 0.474 1 1 378 . 1 1 1 A 81 81 THR C C 81 175.774 175.872 -0.098 1 1 379 . 1 1 1 A 81 81 THR CA C 81 65.164 66.749 -1.585 1 1 380 . 1 1 1 A 81 81 THR CB C 81 68.078 68.984 -0.906 1 1 381 . 1 1 1 A 81 81 THR N N 81 116.238 116.304 -0.066 1 1 382 . 1 1 1 A 82 82 VAL H H 82 8.007 7.657 0.350 1 1 383 . 1 1 1 A 82 82 VAL C C 82 177.656 178.230 -0.574 1 1 384 . 1 1 1 A 82 82 VAL CA C 82 64.710 65.741 -1.031 1 1 385 . 1 1 1 A 82 82 VAL CB C 82 31.297 31.429 -0.132 1 1 386 . 1 1 1 A 82 82 VAL N N 82 121.070 117.097 3.973 1 1 387 . 1 1 1 A 83 83 GLU H H 83 8.178 8.437 -0.259 1 1 388 . 1 1 1 A 83 83 GLU C C 83 178.448 180.011 -1.563 1 1 389 . 1 1 1 A 83 83 GLU CA C 83 57.897 59.389 -1.492 1 1 390 . 1 1 1 A 83 83 GLU CB C 83 28.742 29.060 -0.318 1 1 391 . 1 1 1 A 83 83 GLU N N 83 121.560 122.000 -0.440 1 1 392 . 1 1 1 A 84 84 GLY H H 84 8.211 8.076 0.135 1 1 393 . 1 1 1 A 84 84 GLY C C 84 174.803 176.087 -1.284 1 1 394 . 1 1 1 A 84 84 GLY CA C 84 45.713 46.815 -1.102 1 1 395 . 1 1 1 A 84 84 GLY N N 84 108.634 109.138 -0.504 1 1 396 . 1 1 1 A 85 85 ALA H H 85 8.239 7.778 0.461 1 1 397 . 1 1 1 A 85 85 ALA C C 85 178.648 179.877 -1.229 1 1 398 . 1 1 1 A 85 85 ALA CA C 85 53.434 55.116 -1.682 1 1 399 . 1 1 1 A 85 85 ALA CB C 85 17.883 18.445 -0.562 1 1 400 . 1 1 1 A 85 85 ALA N N 85 124.002 124.685 -0.683 1 1 401 . 1 1 1 A 86 86 GLY H H 86 8.413 8.336 0.077 1 1 402 . 1 1 1 A 86 86 GLY C C 86 175.268 175.612 -0.344 1 1 403 . 1 1 1 A 86 86 GLY CA C 86 45.873 47.096 -1.223 1 1 404 . 1 1 1 A 86 86 GLY N N 86 106.953 106.379 0.574 1 1 405 . 1 1 1 A 87 87 SER H H 87 8.066 7.943 0.123 1 1 406 . 1 1 1 A 87 87 SER C C 87 176.000 177.298 -1.298 1 1 407 . 1 1 1 A 87 87 SER CA C 87 59.500 61.244 -1.744 1 1 408 . 1 1 1 A 87 87 SER CB C 87 62.862 62.791 0.071 1 1 409 . 1 1 1 A 87 87 SER N N 87 116.718 116.486 0.232 1 1 410 . 1 1 1 A 88 88 ILE H H 88 8.312 7.401 0.911 1 1 411 . 1 1 1 A 88 88 ILE C C 88 177.756 177.702 0.054 1 1 412 . 1 1 1 A 88 88 ILE CA C 88 63.187 65.555 -2.368 1 1 413 . 1 1 1 A 88 88 ILE CB C 88 36.620 37.827 -1.207 1 1 414 . 1 1 1 A 88 88 ILE N N 88 123.201 121.903 1.298 1 1 415 . 1 1 1 A 89 89 ALA H H 89 8.435 8.294 0.141 1 1 416 . 1 1 1 A 89 89 ALA C C 89 179.353 179.470 -0.117 1 1 417 . 1 1 1 A 89 89 ALA CA C 89 54.263 55.521 -1.258 1 1 418 . 1 1 1 A 89 89 ALA CB C 89 17.244 17.840 -0.596 1 1 419 . 1 1 1 A 89 89 ALA N N 89 124.522 122.756 1.766 1 1 420 . 1 1 1 A 90 90 ALA H H 90 8.044 7.722 0.322 1 1 421 . 1 1 1 A 90 90 ALA C C 90 179.473 179.463 0.010 1 1 422 . 1 1 1 A 90 90 ALA CA C 90 53.568 54.033 -0.465 1 1 423 . 1 1 1 A 90 90 ALA CB C 90 17.457 18.728 -1.271 1 1 424 . 1 1 1 A 90 90 ALA N N 90 120.560 119.926 0.634 1 1 425 . 1 1 1 A 91 91 ALA H H 91 7.977 7.864 0.113 1 1 426 . 1 1 1 A 91 91 ALA C C 91 178.502 179.531 -1.029 1 1 427 . 1 1 1 A 91 91 ALA CA C 91 53.488 55.069 -1.581 1 1 428 . 1 1 1 A 91 91 ALA CB C 91 18.043 18.364 -0.321 1 1 429 . 1 1 1 A 91 91 ALA N N 91 121.040 119.938 1.102 1 1 430 . 1 1 1 A 92 92 THR H H 92 7.814 7.577 0.237 1 1 431 . 1 1 1 A 92 92 THR C C 92 175.441 175.535 -0.094 1 1 432 . 1 1 1 A 92 92 THR CA C 92 62.706 66.146 -3.440 1 1 433 . 1 1 1 A 92 92 THR CB C 92 69.302 68.541 0.761 1 1 434 . 1 1 1 A 92 92 THR N N 92 108.354 112.937 -4.583 1 1 435 . 1 1 1 A 93 93 GLY H H 93 7.910 8.461 -0.551 1 1 436 . 1 1 1 A 93 93 GLY C C 93 174.497 173.562 0.935 1 1 437 . 1 1 1 A 93 93 GLY CA C 93 45.445 46.247 -0.802 1 1 438 . 1 1 1 A 93 93 GLY N N 93 108.994 108.475 0.519 1 1 439 . 1 1 1 A 94 94 PHE H H 94 7.932 8.171 -0.239 1 1 440 . 1 1 1 A 94 94 PHE C C 94 175.455 175.232 0.223 1 1 441 . 1 1 1 A 94 94 PHE CA C 94 58.511 58.517 -0.006 1 1 442 . 1 1 1 A 94 94 PHE CB C 94 38.483 39.587 -1.104 1 1 443 . 1 1 1 A 94 94 PHE N N 94 120.120 125.162 -5.042 1 1 444 . 1 1 1 A 95 95 VAL H H 95 7.636 8.466 -0.830 1 1 445 . 1 1 1 A 95 95 VAL C C 95 175.335 175.473 -0.138 1 1 446 . 1 1 1 A 95 95 VAL CA C 95 61.477 62.346 -0.869 1 1 447 . 1 1 1 A 95 95 VAL CB C 95 32.468 31.649 0.819 1 1 448 . 1 1 1 A 95 95 VAL N N 95 119.359 120.713 -1.354 1 1 449 . 1 1 1 A 96 96 LYS H H 96 8.267 8.606 -0.339 1 1 450 . 1 1 1 A 96 96 LYS C C 96 176.652 175.741 0.911 1 1 451 . 1 1 1 A 96 96 LYS CA C 96 55.839 57.023 -1.184 1 1 452 . 1 1 1 A 96 96 LYS CB C 96 31.723 33.254 -1.531 1 1 453 . 1 1 1 A 96 96 LYS N N 96 124.842 127.611 -2.769 1 1 454 . 1 1 1 A 97 97 LYS H H 97 8.429 8.938 -0.509 1 1 455 . 1 1 1 A 97 97 LYS C C 97 176.625 174.177 2.448 1 1 456 . 1 1 1 A 97 97 LYS CA C 97 56.267 54.955 1.312 1 1 457 . 1 1 1 A 97 97 LYS CB C 97 31.723 34.834 -3.111 1 1 458 . 1 1 1 A 97 97 LYS N N 97 123.481 122.046 1.435 1 1 459 . 1 1 1 A 98 98 ASP H H 98 8.396 9.012 -0.616 1 1 460 . 1 1 1 A 98 98 ASP C C 98 176.359 175.978 0.381 1 1 461 . 1 1 1 A 98 98 ASP CA C 98 54.183 53.164 1.019 1 1 462 . 1 1 1 A 98 98 ASP CB C 98 40.239 41.494 -1.255 1 1 463 . 1 1 1 A 98 98 ASP N N 98 121.360 126.300 -4.940 1 1 464 . 1 1 1 A 99 99 GLN H H 99 8.318 8.624 -0.306 1 1 465 . 1 1 1 A 99 99 GLN C C 99 176.280 175.609 0.671 1 1 466 . 1 1 1 A 99 99 GLN CA C 99 55.412 56.137 -0.725 1 1 467 . 1 1 1 A 99 99 GLN CB C 99 28.263 31.093 -2.830 1 1 468 . 1 1 1 A 99 99 GLN N N 99 120.800 122.628 -1.828 1 1 469 . 1 1 1 A 100 100 LEU H H 100 8.211 7.865 0.346 1 1 470 . 1 1 1 A 100 100 LEU C C 100 178.089 176.702 1.387 1 1 471 . 1 1 1 A 100 100 LEU CA C 100 55.118 53.206 1.912 1 1 472 . 1 1 1 A 100 100 LEU CB C 100 41.091 44.935 -3.844 1 1 473 . 1 1 1 A 100 100 LEU N N 100 123.041 119.854 3.187 1 1 474 . 1 1 1 A 101 101 GLY H H 101 8.413 8.553 -0.140 1 1 475 . 1 1 1 A 101 101 GLY C C 101 174.151 174.475 -0.324 1 1 476 . 1 1 1 A 101 101 GLY CA C 101 44.938 45.298 -0.360 1 1 477 . 1 1 1 A 101 101 GLY N N 101 110.075 112.269 -2.194 1 1 478 . 1 1 1 A 102 102 LYS H H 102 8.111 8.199 -0.088 1 1 479 . 1 1 1 A 102 102 LYS C C 102 176.439 175.643 0.796 1 1 480 . 1 1 1 A 102 102 LYS CA C 102 55.786 57.069 -1.283 1 1 481 . 1 1 1 A 102 102 LYS CB C 102 31.776 30.985 0.791 1 1 482 . 1 1 1 A 102 102 LYS N N 102 121.240 119.414 1.826 1 1 483 . 1 1 1 A 103 103 ASN H H 103 8.530 8.553 -0.023 1 1 484 . 1 1 1 A 103 103 ASN C C 103 175.162 174.389 0.773 1 1 485 . 1 1 1 A 103 103 ASN CA C 103 52.980 52.073 0.907 1 1 486 . 1 1 1 A 103 103 ASN CB C 103 38.217 39.371 -1.154 1 1 487 . 1 1 1 A 103 103 ASN N N 103 120.520 121.162 -0.642 1 1 488 . 1 1 1 A 104 104 GLU H H 104 8.429 8.424 0.005 1 1 489 . 1 1 1 A 104 104 GLU C C 104 176.532 176.369 0.163 1 1 490 . 1 1 1 A 104 104 GLU CA C 104 56.106 58.746 -2.640 1 1 491 . 1 1 1 A 104 104 GLU CB C 104 29.115 29.506 -0.391 1 1 492 . 1 1 1 A 104 104 GLU N N 104 122.201 121.435 0.766 1 1 493 . 1 1 1 A 105 105 GLU H H 105 8.441 7.693 0.748 1 1 494 . 1 1 1 A 105 105 GLU C C 105 177.011 175.812 1.199 1 1 495 . 1 1 1 A 105 105 GLU CA C 105 56.347 56.237 0.110 1 1 496 . 1 1 1 A 105 105 GLU CB C 105 29.221 32.902 -3.681 1 1 497 . 1 1 1 A 105 105 GLU N N 105 122.761 118.332 4.429 1 1 498 . 1 1 1 A 106 106 GLY H H 106 8.379 9.016 -0.637 1 1 499 . 1 1 1 A 106 106 GLY C C 106 173.445 173.505 -0.060 1 1 500 . 1 1 1 A 106 106 GLY CA C 106 44.537 46.031 -1.494 1 1 501 . 1 1 1 A 106 106 GLY N N 106 110.635 112.981 -2.346 1 1 502 . 1 1 1 A 107 107 ALA H H 107 8.128 7.947 0.181 1 1 503 . 1 1 1 A 107 107 ALA C C 107 175.654 177.235 -1.581 1 1 504 . 1 1 1 A 107 107 ALA CA C 107 50.068 52.772 -2.704 1 1 505 . 1 1 1 A 107 107 ALA CB C 107 17.032 17.380 -0.348 1 1 506 . 1 1 1 A 107 107 ALA N N 107 125.562 118.724 6.838 1 1 507 . 1 1 1 A 109 109 GLN H H 109 8.530 8.257 0.273 1 1 508 . 1 1 1 A 109 109 GLN C C 109 176.000 176.710 -0.710 1 1 509 . 1 1 1 A 109 109 GLN CA C 109 55.225 57.760 -2.535 1 1 510 . 1 1 1 A 109 109 GLN CB C 109 28.529 29.164 -0.635 1 1 511 . 1 1 1 A 109 109 GLN N N 109 121.640 123.168 -1.528 1 1 512 . 1 1 1 A 110 110 GLU H H 110 8.474 7.952 0.522 1 1 513 . 1 1 1 A 110 110 GLU C C 110 176.852 175.526 1.326 1 1 514 . 1 1 1 A 110 110 GLU CA C 110 56.187 56.727 -0.540 1 1 515 . 1 1 1 A 110 110 GLU CB C 110 29.274 32.979 -3.705 1 1 516 . 1 1 1 A 110 110 GLU N N 110 123.121 120.444 2.677 1 1 517 . 1 1 1 A 111 111 GLY H H 111 8.429 7.615 0.814 1 1 518 . 1 1 1 A 111 111 GLY C C 111 173.738 174.278 -0.540 1 1 519 . 1 1 1 A 111 111 GLY CA C 111 44.804 45.614 -0.810 1 1 520 . 1 1 1 A 111 111 GLY N N 111 110.715 106.811 3.904 1 1 521 . 1 1 1 A 112 112 ILE H H 112 7.965 8.584 -0.619 1 1 522 . 1 1 1 A 112 112 ILE C C 112 176.213 176.803 -0.590 1 1 523 . 1 1 1 A 112 112 ILE CA C 112 60.462 63.938 -3.476 1 1 524 . 1 1 1 A 112 112 ILE CB C 112 37.631 38.093 -0.462 1 1 525 . 1 1 1 A 112 112 ILE N N 112 120.840 117.866 2.974 1 1 526 . 1 1 1 A 113 113 LEU H H 113 8.357 7.603 0.754 1 1 527 . 1 1 1 A 113 113 LEU C C 113 177.065 178.059 -0.994 1 1 528 . 1 1 1 A 113 113 LEU CA C 113 54.530 54.547 -0.017 1 1 529 . 1 1 1 A 113 113 LEU CB C 113 41.197 42.301 -1.104 1 1 530 . 1 1 1 A 113 113 LEU N N 113 127.523 124.565 2.958 1 1 531 . 1 1 1 A 114 114 GLU H H 114 8.373 9.004 -0.631 1 1 532 . 1 1 1 A 114 114 GLU C C 114 175.854 175.797 0.057 1 1 533 . 1 1 1 A 114 114 GLU CA C 114 55.973 57.163 -1.190 1 1 534 . 1 1 1 A 114 114 GLU CB C 114 29.540 29.744 -0.204 1 1 535 . 1 1 1 A 114 114 GLU N N 114 122.921 122.067 0.854 1 1 536 . 1 1 1 A 115 115 ASP H H 115 8.318 8.200 0.118 1 1 537 . 1 1 1 A 115 115 ASP C C 115 175.774 176.234 -0.460 1 1 538 . 1 1 1 A 115 115 ASP CA C 115 53.889 55.334 -1.445 1 1 539 . 1 1 1 A 115 115 ASP CB C 115 40.452 39.999 0.453 1 1 540 . 1 1 1 A 115 115 ASP N N 115 122.081 118.983 3.098 1 1 541 . 1 1 1 A 116 116 MET H H 116 8.234 7.905 0.329 1 1 542 . 1 1 1 A 116 116 MET C C 116 174.084 174.750 -0.666 1 1 543 . 1 1 1 A 116 116 MET CA C 116 52.820 53.438 -0.618 1 1 544 . 1 1 1 A 116 116 MET CB C 116 31.457 33.303 -1.846 1 1 545 . 1 1 1 A 116 116 MET N N 116 122.601 117.811 4.790 1 1 546 . 1 1 1 A 118 118 VAL H H 118 8.234 7.577 0.657 1 1 547 . 1 1 1 A 118 118 VAL C C 118 175.774 175.444 0.330 1 1 548 . 1 1 1 A 118 118 VAL CA C 118 61.477 62.682 -1.205 1 1 549 . 1 1 1 A 118 118 VAL CB C 118 32.361 32.902 -0.541 1 1 550 . 1 1 1 A 118 118 VAL N N 118 121.200 118.817 2.383 1 1 551 . 1 1 1 A 119 119 ASP H H 119 8.457 8.858 -0.401 1 1 552 . 1 1 1 A 119 119 ASP C C 119 174.670 175.646 -0.976 1 1 553 . 1 1 1 A 119 119 ASP CA C 119 51.805 50.892 0.913 1 1 554 . 1 1 1 A 119 119 ASP CB C 119 40.239 41.196 -0.957 1 1 555 . 1 1 1 A 119 119 ASP N N 119 126.403 127.867 -1.464 1 1 556 . 1 1 1 A 121 121 ASP H H 121 8.340 8.589 -0.249 1 1 557 . 1 1 1 A 121 121 ASP C C 121 176.186 176.365 -0.179 1 1 558 . 1 1 1 A 121 121 ASP CA C 121 54.183 56.407 -2.224 1 1 559 . 1 1 1 A 121 121 ASP CB C 121 40.186 39.950 0.236 1 1 560 . 1 1 1 A 121 121 ASP N N 121 119.960 118.072 1.888 1 1 561 . 1 1 1 A 122 122 ASN H H 122 8.111 7.732 0.379 1 1 562 . 1 1 1 A 122 122 ASN C C 122 175.335 175.303 0.032 1 1 563 . 1 1 1 A 122 122 ASN CA C 122 53.141 51.991 1.150 1 1 564 . 1 1 1 A 122 122 ASN CB C 122 38.483 39.118 -0.635 1 1 565 . 1 1 1 A 122 122 ASN N N 122 119.599 116.158 3.441 1 1 566 . 1 1 1 A 123 123 GLU H H 123 8.329 8.157 0.172 1 1 567 . 1 1 1 A 123 123 GLU C C 123 176.013 175.078 0.935 1 1 568 . 1 1 1 A 123 123 GLU CA C 123 56.374 58.272 -1.898 1 1 569 . 1 1 1 A 123 123 GLU CB C 123 29.115 29.812 -0.697 1 1 570 . 1 1 1 A 123 123 GLU N N 123 122.201 118.422 3.779 1 1 571 . 1 1 1 A 124 124 ALA H H 124 8.167 8.823 -0.656 1 1 572 . 1 1 1 A 124 124 ALA C C 124 177.144 177.012 0.132 1 1 573 . 1 1 1 A 124 124 ALA CA C 124 51.831 51.089 0.742 1 1 574 . 1 1 1 A 124 124 ALA CB C 124 18.043 19.919 -1.876 1 1 575 . 1 1 1 A 124 124 ALA N N 124 125.002 117.070 7.932 1 1 576 . 1 1 1 A 125 125 TYR H H 125 7.993 8.689 -0.696 1 1 577 . 1 1 1 A 125 125 TYR C C 125 175.322 175.998 -0.676 1 1 578 . 1 1 1 A 125 125 TYR CA C 125 57.255 60.746 -3.491 1 1 579 . 1 1 1 A 125 125 TYR CB C 125 38.004 38.598 -0.594 1 1 580 . 1 1 1 A 125 125 TYR N N 125 120.560 117.544 3.016 1 1 581 . 1 1 1 A 126 126 GLU H H 126 8.116 8.140 -0.024 1 1 582 . 1 1 1 A 126 126 GLU C C 126 175.441 175.905 -0.464 1 1 583 . 1 1 1 A 126 126 GLU CA C 126 55.251 55.386 -0.135 1 1 584 . 1 1 1 A 126 126 GLU CB C 126 29.594 31.059 -1.465 1 1 585 . 1 1 1 A 126 126 GLU N N 126 124.242 117.089 7.153 1 1 586 . 1 1 1 A 127 127 MET H H 127 8.373 8.769 -0.396 1 1 587 . 1 1 1 A 127 127 MET C C 127 174.230 175.162 -0.932 1 1 588 . 1 1 1 A 127 127 MET CA C 127 52.873 57.593 -4.720 1 1 589 . 1 1 1 A 127 127 MET CB C 127 31.350 31.265 0.085 1 1 590 . 1 1 1 A 127 127 MET N N 127 124.362 122.073 2.289 1 1 591 . 1 1 1 A 129 129 SER H H 129 8.429 8.780 -0.351 1 1 592 . 1 1 1 A 129 129 SER C C 129 174.776 174.117 0.659 1 1 593 . 1 1 1 A 129 129 SER CA C 129 57.790 61.489 -3.699 1 1 594 . 1 1 1 A 129 129 SER CB C 129 63.075 62.688 0.387 1 1 595 . 1 1 1 A 129 129 SER N N 129 117.198 117.431 -0.233 1 1 596 . 1 1 1 A 130 130 GLU H H 130 8.519 8.079 0.440 1 1 597 . 1 1 1 A 130 130 GLU C C 130 176.492 175.651 0.841 1 1 598 . 1 1 1 A 130 130 GLU CA C 130 56.080 57.653 -1.573 1 1 599 . 1 1 1 A 130 130 GLU CB C 130 29.115 29.641 -0.526 1 1 600 . 1 1 1 A 130 130 GLU N N 130 123.721 119.650 4.071 1 1 601 . 1 1 1 A 131 131 GLU H H 131 8.429 8.815 -0.386 1 1 602 . 1 1 1 A 131 131 GLU C C 131 176.971 176.622 0.349 1 1 603 . 1 1 1 A 131 131 GLU CA C 131 56.347 55.489 0.858 1 1 604 . 1 1 1 A 131 131 GLU CB C 131 29.115 30.497 -1.382 1 1 605 . 1 1 1 A 131 131 GLU N N 131 122.561 121.615 0.946 1 1 606 . 1 1 1 A 132 132 GLY H H 132 8.351 8.206 0.145 1 1 607 . 1 1 1 A 132 132 GLY C C 132 173.791 174.319 -0.528 1 1 608 . 1 1 1 A 132 132 GLY CA C 132 44.724 45.628 -0.904 1 1 609 . 1 1 1 A 132 132 GLY N N 132 110.395 108.729 1.666 1 1 610 . 1 1 1 A 133 133 TYR H H 133 8.027 9.295 -1.268 1 1 611 . 1 1 1 A 133 133 TYR C C 133 175.654 174.454 1.200 1 1 612 . 1 1 1 A 133 133 TYR CA C 133 57.656 60.454 -2.798 1 1 613 . 1 1 1 A 133 133 TYR CB C 133 37.791 38.317 -0.526 1 1 614 . 1 1 1 A 133 133 TYR N N 133 120.880 120.974 -0.094 1 1 615 . 1 1 1 A 134 134 GLN H H 134 8.172 8.157 0.015 1 1 616 . 1 1 1 A 134 134 GLN C C 134 174.843 174.188 0.655 1 1 617 . 1 1 1 A 134 134 GLN CA C 134 54.957 54.492 0.465 1 1 618 . 1 1 1 A 134 134 GLN CB C 134 28.795 31.797 -3.002 1 1 619 . 1 1 1 A 134 134 GLN N N 134 123.241 113.551 9.690 1 1 620 . 1 1 1 A 135 135 ASP H H 135 8.189 8.035 0.154 1 1 621 . 1 1 1 A 135 135 ASP C C 135 175.455 174.903 0.552 1 1 622 . 1 1 1 A 135 135 ASP CA C 135 53.889 54.542 -0.653 1 1 623 . 1 1 1 A 135 135 ASP CB C 135 40.399 44.152 -3.753 1 1 624 . 1 1 1 A 135 135 ASP N N 135 122.201 122.785 -0.584 1 1 625 . 1 1 1 A 136 136 TYR H H 136 7.993 6.886 1.107 1 1 626 . 1 1 1 A 136 136 TYR C C 136 175.016 175.501 -0.485 1 1 627 . 1 1 1 A 136 136 TYR CA C 136 57.095 55.687 1.408 1 1 628 . 1 1 1 A 136 136 TYR CB C 136 38.163 41.648 -3.485 1 1 629 . 1 1 1 A 136 136 TYR N N 136 120.960 115.750 5.210 1 1 630 . 1 1 1 A 137 137 GLU H H 137 8.217 8.929 -0.712 1 1 631 . 1 1 1 A 137 137 GLU C C 137 173.778 177.160 -3.382 1 1 632 . 1 1 1 A 137 137 GLU CA C 137 53.247 61.441 -8.194 1 1 633 . 1 1 1 A 137 137 GLU CB C 137 29.115 28.297 0.818 1 1 634 . 1 1 1 A 137 137 GLU N N 137 125.882 123.230 2.652 1 1 635 . 1 1 1 A 139 139 GLU H H 139 8.457 8.983 -0.526 1 1 636 . 1 1 1 A 139 139 GLU C C 139 175.361 176.464 -1.103 1 1 637 . 1 1 1 A 139 139 GLU CA C 139 56.187 59.307 -3.120 1 1 638 . 1 1 1 A 139 139 GLU CB C 139 29.168 29.704 -0.536 1 1 639 . 1 1 1 A 139 139 GLU N N 139 122.001 120.633 1.368 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 130 0.930 1 2 1 1 1 "RMS(OBS, PRED)" CA 132 1.675 1 3 1 1 1 "RMS(OBS, PRED)" CB 113 1.264 1 4 1 1 1 "RMS(OBS, PRED)" H 132 0.443 1 5 1 1 1 "RMS(OBS, PRED)" HA 0 0.000 1 6 1 1 1 "RMS(OBS, PRED)" N 132 2.572 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 8.373 8.492 -0.119 2 1 2 . 1 1 A 3 3 VAL C C 3 176.748 177.769 -1.021 2 1 3 . 1 1 A 3 3 VAL CA C 3 64.175 65.674 -1.499 2 1 4 . 1 1 A 3 3 VAL CB C 3 31.350 31.449 -0.099 2 1 5 . 1 1 A 3 3 VAL N N 3 119.319 125.198 -5.879 2 1 6 . 1 1 A 4 4 PHE H H 4 8.150 7.797 0.353 2 1 7 . 1 1 A 4 4 PHE C C 4 176.748 178.378 -1.630 2 1 8 . 1 1 A 4 4 PHE CA C 4 59.580 60.756 -1.176 2 1 9 . 1 1 A 4 4 PHE CB C 4 38.004 38.800 -0.796 2 1 10 . 1 1 A 4 4 PHE N N 4 121.120 119.696 1.424 2 1 11 . 1 1 A 5 5 MET H H 5 8.269 8.104 0.165 2 1 12 . 1 1 A 5 5 MET C C 5 178.752 178.865 -0.113 2 1 13 . 1 1 A 5 5 MET CA C 5 56.667 59.258 -2.591 2 1 14 . 1 1 A 5 5 MET CB C 5 30.445 32.684 -2.239 2 1 15 . 1 1 A 5 5 MET N N 5 118.681 117.836 0.845 2 1 16 . 1 1 A 6 6 LYS H H 6 8.312 7.671 0.641 2 1 17 . 1 1 A 6 6 LYS C C 6 179.114 179.264 -0.150 2 1 18 . 1 1 A 6 6 LYS CA C 6 58.351 59.313 -0.962 2 1 19 . 1 1 A 6 6 LYS CB C 6 30.924 32.320 -1.396 2 1 20 . 1 1 A 6 6 LYS N N 6 121.040 119.038 2.002 2 1 21 . 1 1 A 7 7 GLY H H 7 8.290 7.876 0.414 2 1 22 . 1 1 A 7 7 GLY C C 7 175.016 175.649 -0.633 2 1 23 . 1 1 A 7 7 GLY CA C 7 46.461 46.953 -0.492 2 1 24 . 1 1 A 7 7 GLY N N 7 108.714 107.359 1.355 2 1 25 . 1 1 A 8 8 LEU H H 8 8.308 8.061 0.247 2 1 26 . 1 1 A 8 8 LEU C C 8 178.440 178.405 0.035 2 1 27 . 1 1 A 8 8 LEU CA C 8 57.229 57.493 -0.264 2 1 28 . 1 1 A 8 8 LEU CB C 8 40.452 41.716 -1.264 2 1 29 . 1 1 A 8 8 LEU N N 8 122.169 123.898 -1.729 2 1 30 . 1 1 A 9 9 SER H H 9 8.144 8.496 -0.352 2 1 31 . 1 1 A 9 9 SER C C 9 176.785 176.907 -0.122 2 1 32 . 1 1 A 9 9 SER CA C 9 61.504 60.954 0.550 2 1 33 . 1 1 A 9 9 SER N N 9 114.437 114.558 -0.121 2 1 34 . 1 1 A 10 10 LYS H H 10 7.865 7.807 0.058 2 1 35 . 1 1 A 10 10 LYS C C 10 178.954 178.413 0.541 2 1 36 . 1 1 A 10 10 LYS CA C 10 57.816 58.887 -1.071 2 1 37 . 1 1 A 10 10 LYS CB C 10 30.871 32.296 -1.425 2 1 38 . 1 1 A 10 10 LYS N N 10 122.041 121.540 0.501 2 1 39 . 1 1 A 11 11 ALA H H 11 8.226 7.687 0.539 2 1 40 . 1 1 A 11 11 ALA C C 11 178.661 179.095 -0.434 2 1 41 . 1 1 A 11 11 ALA CA C 11 54.396 55.476 -1.080 2 1 42 . 1 1 A 11 11 ALA CB C 11 17.138 18.413 -1.275 2 1 43 . 1 1 A 11 11 ALA N N 11 122.974 121.809 1.165 2 1 44 . 1 1 A 12 12 LYS H H 12 8.290 7.724 0.566 2 1 45 . 1 1 A 12 12 LYS C C 12 177.817 178.438 -0.621 2 1 46 . 1 1 A 12 12 LYS CA C 12 59.794 59.650 0.144 2 1 47 . 1 1 A 12 12 LYS CB C 12 30.978 32.226 -1.248 2 1 48 . 1 1 A 12 12 LYS N N 12 118.159 118.425 -0.266 2 1 49 . 1 1 A 13 13 GLU H H 13 8.010 7.724 0.286 2 1 50 . 1 1 A 13 13 GLU C C 13 179.753 179.026 0.727 2 1 51 . 1 1 A 13 13 GLU CA C 13 58.805 59.487 -0.682 2 1 52 . 1 1 A 13 13 GLU CB C 13 28.423 29.117 -0.694 2 1 53 . 1 1 A 13 13 GLU N N 13 117.638 119.358 -1.720 2 1 54 . 1 1 A 14 14 GLY H H 14 8.234 8.149 0.085 2 1 55 . 1 1 A 14 14 GLY C C 14 175.693 175.572 0.121 2 1 56 . 1 1 A 14 14 GLY CA C 14 46.541 47.129 -0.588 2 1 57 . 1 1 A 14 14 GLY N N 14 107.994 107.691 0.303 2 1 58 . 1 1 A 15 15 VAL H H 15 8.273 8.306 -0.033 2 1 59 . 1 1 A 15 15 VAL C C 15 177.215 178.384 -1.169 2 1 60 . 1 1 A 15 15 VAL CA C 15 66.233 65.894 0.339 2 1 61 . 1 1 A 15 15 VAL CB C 15 30.871 31.858 -0.987 2 1 62 . 1 1 A 15 15 VAL N N 15 122.881 122.540 0.341 2 1 63 . 1 1 A 16 16 VAL H H 16 8.150 8.056 0.094 2 1 64 . 1 1 A 16 16 VAL C C 16 178.284 177.694 0.590 2 1 65 . 1 1 A 16 16 VAL CA C 16 66.393 66.397 -0.004 2 1 66 . 1 1 A 16 16 VAL CB C 16 30.871 31.374 -0.503 2 1 67 . 1 1 A 16 16 VAL N N 16 120.400 120.984 -0.584 2 1 68 . 1 1 A 17 17 ALA H H 17 7.960 8.313 -0.353 2 1 69 . 1 1 A 17 17 ALA C C 17 180.441 179.756 0.685 2 1 70 . 1 1 A 17 17 ALA CA C 17 54.263 55.657 -1.394 2 1 71 . 1 1 A 17 17 ALA CB C 17 17.191 17.825 -0.634 2 1 72 . 1 1 A 17 17 ALA N N 17 121.760 121.998 -0.238 2 1 73 . 1 1 A 18 18 ALA H H 18 8.060 8.225 -0.165 2 1 74 . 1 1 A 18 18 ALA C C 18 179.919 179.495 0.424 2 1 75 . 1 1 A 18 18 ALA CA C 18 54.102 54.820 -0.718 2 1 76 . 1 1 A 18 18 ALA CB C 18 17.298 18.381 -1.083 2 1 77 . 1 1 A 18 18 ALA N N 18 121.440 119.967 1.473 2 1 78 . 1 1 A 19 19 ALA H H 19 8.508 7.921 0.587 2 1 79 . 1 1 A 19 19 ALA C C 19 179.326 180.202 -0.876 2 1 80 . 1 1 A 19 19 ALA CA C 19 54.583 55.430 -0.847 2 1 81 . 1 1 A 19 19 ALA CB C 19 17.298 18.132 -0.834 2 1 82 . 1 1 A 19 19 ALA N N 19 122.961 120.614 2.347 2 1 83 . 1 1 A 20 20 GLU H H 20 8.239 7.966 0.273 2 1 84 . 1 1 A 20 20 GLU C C 20 178.874 178.938 -0.064 2 1 85 . 1 1 A 20 20 GLU CA C 20 58.728 59.575 -0.847 2 1 86 . 1 1 A 20 20 GLU CB C 20 28.423 29.245 -0.822 2 1 87 . 1 1 A 20 20 GLU N N 20 119.039 118.103 0.936 2 1 88 . 1 1 A 21 21 LYS H H 21 7.960 7.447 0.513 2 1 89 . 1 1 A 21 21 LYS C C 21 178.994 179.114 -0.120 2 1 90 . 1 1 A 21 21 LYS CA C 21 58.244 59.050 -0.806 2 1 91 . 1 1 A 21 21 LYS CB C 21 31.350 32.285 -0.935 2 1 92 . 1 1 A 21 21 LYS N N 21 119.359 121.143 -1.784 2 1 93 . 1 1 A 22 22 THR H H 22 7.988 8.777 -0.789 2 1 94 . 1 1 A 22 22 THR C C 22 175.787 176.274 -0.487 2 1 95 . 1 1 A 22 22 THR CA C 22 65.030 66.790 -1.760 2 1 96 . 1 1 A 22 22 THR CB C 22 68.078 68.315 -0.237 2 1 97 . 1 1 A 22 22 THR N N 22 115.517 115.600 -0.083 2 1 98 . 1 1 A 23 23 LYS H H 23 8.128 8.528 -0.400 2 1 99 . 1 1 A 23 23 LYS C C 23 177.996 177.912 0.084 2 1 100 . 1 1 A 23 23 LYS CA C 23 58.671 58.966 -0.295 2 1 101 . 1 1 A 23 23 LYS CB C 23 31.244 31.725 -0.481 2 1 102 . 1 1 A 23 23 LYS N N 23 122.081 120.284 1.797 2 1 103 . 1 1 A 24 24 GLN H H 24 8.038 7.852 0.186 2 1 104 . 1 1 A 24 24 GLN C C 24 177.717 178.448 -0.731 2 1 105 . 1 1 A 24 24 GLN CA C 24 57.122 59.069 -1.947 2 1 106 . 1 1 A 24 24 GLN CB C 24 27.731 28.304 -0.573 2 1 107 . 1 1 A 24 24 GLN N N 24 118.719 119.346 -0.627 2 1 108 . 1 1 A 25 25 GLY H H 25 8.195 8.346 -0.151 2 1 109 . 1 1 A 25 25 GLY C C 25 175.561 176.083 -0.522 2 1 110 . 1 1 A 25 25 GLY CA C 25 45.900 47.216 -1.316 2 1 111 . 1 1 A 25 25 GLY N N 25 108.794 107.043 1.751 2 1 112 . 1 1 A 26 26 VAL H H 26 8.166 7.930 0.236 2 1 113 . 1 1 A 26 26 VAL C C 26 176.798 177.771 -0.973 2 1 114 . 1 1 A 26 26 VAL CA C 26 64.256 65.350 -1.094 2 1 115 . 1 1 A 26 26 VAL CB C 26 31.350 31.536 -0.186 2 1 116 . 1 1 A 26 26 VAL N N 26 121.127 120.480 0.647 2 1 117 . 1 1 A 27 27 ALA H H 27 8.161 8.263 -0.102 2 1 118 . 1 1 A 27 27 ALA C C 27 179.606 180.192 -0.586 2 1 119 . 1 1 A 27 27 ALA CA C 27 53.889 55.939 -2.050 2 1 120 . 1 1 A 27 27 ALA CB C 27 17.191 18.057 -0.866 2 1 121 . 1 1 A 27 27 ALA N N 27 124.362 124.182 0.180 2 1 122 . 1 1 A 28 28 GLU H H 28 8.211 7.747 0.464 2 1 123 . 1 1 A 28 28 GLU C C 28 177.730 178.998 -1.268 2 1 124 . 1 1 A 28 28 GLU CA C 28 57.362 59.027 -1.665 2 1 125 . 1 1 A 28 28 GLU CB C 28 28.742 29.319 -0.577 2 1 126 . 1 1 A 28 28 GLU N N 28 118.959 118.012 0.947 2 1 127 . 1 1 A 29 29 ALA H H 29 8.010 8.081 -0.071 2 1 128 . 1 1 A 29 29 ALA C C 29 178.502 179.530 -1.028 2 1 129 . 1 1 A 29 29 ALA CA C 29 53.167 54.977 -1.810 2 1 130 . 1 1 A 29 29 ALA CB C 29 17.777 17.941 -0.164 2 1 131 . 1 1 A 29 29 ALA N N 29 123.481 123.322 0.159 2 1 132 . 1 1 A 30 30 ALA H H 30 8.301 8.420 -0.119 2 1 133 . 1 1 A 30 30 ALA C C 30 178.781 180.360 -1.579 2 1 134 . 1 1 A 30 30 ALA CA C 30 53.194 55.124 -1.930 2 1 135 . 1 1 A 30 30 ALA CB C 30 17.724 18.349 -0.625 2 1 136 . 1 1 A 30 30 ALA N N 30 122.175 120.155 2.020 2 1 137 . 1 1 A 31 31 GLY H H 31 8.234 7.909 0.325 2 1 138 . 1 1 A 31 31 GLY C C 31 174.962 175.479 -0.517 2 1 139 . 1 1 A 31 31 GLY CA C 31 45.606 47.020 -1.414 2 1 140 . 1 1 A 31 31 GLY N N 31 107.313 107.199 0.114 2 1 141 . 1 1 A 32 32 LYS H H 32 8.030 7.905 0.125 2 1 142 . 1 1 A 32 32 LYS C C 32 177.557 179.283 -1.726 2 1 143 . 1 1 A 32 32 LYS CA C 32 56.561 58.111 -1.550 2 1 144 . 1 1 A 32 32 LYS CB C 32 31.616 32.482 -0.866 2 1 145 . 1 1 A 32 32 LYS N N 32 121.084 121.497 -0.413 2 1 146 . 1 1 A 33 33 THR H H 33 8.116 8.635 -0.519 2 1 147 . 1 1 A 33 33 THR C C 33 175.215 176.323 -1.108 2 1 148 . 1 1 A 33 33 THR CA C 33 63.214 66.396 -3.182 2 1 149 . 1 1 A 33 33 THR CB C 33 68.451 68.278 0.173 2 1 150 . 1 1 A 33 33 THR N N 33 115.597 117.006 -1.409 2 1 151 . 1 1 A 34 34 LYS H H 34 8.313 7.856 0.457 2 1 152 . 1 1 A 34 34 LYS C C 34 176.998 178.279 -1.281 2 1 153 . 1 1 A 34 34 LYS CA C 34 57.496 59.567 -2.071 2 1 154 . 1 1 A 34 34 LYS CB C 34 31.297 31.995 -0.698 2 1 155 . 1 1 A 34 34 LYS N N 34 123.096 121.219 1.877 2 1 156 . 1 1 A 35 35 GLU H H 35 8.278 7.697 0.581 2 1 157 . 1 1 A 35 35 GLU C C 35 177.836 179.041 -1.205 2 1 158 . 1 1 A 35 35 GLU CA C 35 57.255 59.395 -2.140 2 1 159 . 1 1 A 35 35 GLU CB C 35 28.848 29.050 -0.202 2 1 160 . 1 1 A 35 35 GLU N N 35 120.040 119.417 0.623 2 1 161 . 1 1 A 36 36 GLY H H 36 8.318 8.030 0.288 2 1 162 . 1 1 A 36 36 GLY C C 36 174.350 175.854 -1.504 2 1 163 . 1 1 A 36 36 GLY CA C 36 45.686 47.374 -1.688 2 1 164 . 1 1 A 36 36 GLY N N 36 109.554 107.303 2.251 2 1 165 . 1 1 A 37 37 VAL H H 37 8.049 7.532 0.517 2 1 166 . 1 1 A 37 37 VAL C C 37 176.346 176.217 0.129 2 1 167 . 1 1 A 37 37 VAL CA C 37 63.454 65.494 -2.040 2 1 168 . 1 1 A 37 37 VAL CB C 37 31.669 31.503 0.166 2 1 169 . 1 1 A 37 37 VAL N N 37 120.160 120.695 -0.535 2 1 170 . 1 1 A 38 38 LEU H H 38 8.205 7.294 0.911 2 1 171 . 1 1 A 38 38 LEU C C 38 177.211 176.061 1.150 2 1 172 . 1 1 A 38 38 LEU CA C 38 55.652 54.000 1.652 2 1 173 . 1 1 A 38 38 LEU CB C 38 41.038 42.709 -1.671 2 1 174 . 1 1 A 38 38 LEU N N 38 122.929 123.630 -0.701 2 1 175 . 1 1 A 39 39 TYR H H 39 8.133 8.960 -0.827 2 1 176 . 1 1 A 39 39 TYR C C 39 176.146 176.122 0.024 2 1 177 . 1 1 A 39 39 TYR CA C 39 58.752 58.809 -0.057 2 1 178 . 1 1 A 39 39 TYR CB C 39 38.004 39.409 -1.405 2 1 179 . 1 1 A 39 39 TYR N N 39 121.246 126.910 -5.664 2 1 180 . 1 1 A 40 40 VAL H H 40 8.100 8.734 -0.634 2 1 181 . 1 1 A 40 40 VAL C C 40 176.932 176.734 0.198 2 1 182 . 1 1 A 40 40 VAL CA C 40 63.000 61.429 1.571 2 1 183 . 1 1 A 40 40 VAL CB C 40 31.723 33.375 -1.652 2 1 184 . 1 1 A 40 40 VAL N N 40 120.600 121.843 -1.243 2 1 185 . 1 1 A 41 41 GLY H H 41 8.322 8.797 -0.475 2 1 186 . 1 1 A 41 41 GLY C C 41 174.457 175.406 -0.949 2 1 187 . 1 1 A 41 41 GLY CA C 41 45.633 46.897 -1.264 2 1 188 . 1 1 A 41 41 GLY N N 41 111.092 114.112 -3.020 2 1 189 . 1 1 A 42 42 SER H H 42 8.312 8.157 0.155 2 1 190 . 1 1 A 42 42 SER C C 42 175.774 175.087 0.687 2 1 191 . 1 1 A 42 42 SER CA C 42 59.874 61.058 -1.184 2 1 192 . 1 1 A 42 42 SER CB C 42 62.649 63.281 -0.632 2 1 193 . 1 1 A 42 42 SER N N 42 116.718 116.929 -0.211 2 1 194 . 1 1 A 43 43 LYS H H 43 8.361 7.536 0.825 2 1 195 . 1 1 A 43 43 LYS C C 43 178.070 174.615 3.455 2 1 196 . 1 1 A 43 43 LYS CA C 43 56.774 55.567 1.207 2 1 197 . 1 1 A 43 43 LYS CB C 43 31.190 31.700 -0.510 2 1 198 . 1 1 A 43 43 LYS N N 43 122.797 120.356 2.441 2 1 199 . 1 1 A 44 44 THR H H 44 8.116 8.000 0.116 2 1 200 . 1 1 A 44 44 THR C C 44 175.428 176.065 -0.637 2 1 201 . 1 1 A 44 44 THR CA C 44 63.561 61.421 2.140 2 1 202 . 1 1 A 44 44 THR CB C 44 68.664 70.288 -1.624 2 1 203 . 1 1 A 44 44 THR N N 44 115.197 119.799 -4.602 2 1 204 . 1 1 A 45 45 LYS H H 45 8.362 8.976 -0.614 2 1 205 . 1 1 A 45 45 LYS C C 45 177.464 178.972 -1.508 2 1 206 . 1 1 A 45 45 LYS CA C 45 59.339 60.433 -1.094 2 1 207 . 1 1 A 45 45 LYS CB C 45 30.978 32.295 -1.317 2 1 208 . 1 1 A 45 45 LYS N N 45 122.281 125.041 -2.760 2 1 209 . 1 1 A 46 46 GLU H H 46 8.334 8.177 0.157 2 1 210 . 1 1 A 46 46 GLU C C 46 178.595 179.191 -0.596 2 1 211 . 1 1 A 46 46 GLU CA C 46 58.458 59.839 -1.381 2 1 212 . 1 1 A 46 46 GLU CB C 46 28.529 29.314 -0.785 2 1 213 . 1 1 A 46 46 GLU N N 46 118.319 119.109 -0.790 2 1 214 . 1 1 A 47 47 GLY H H 47 8.189 8.131 0.058 2 1 215 . 1 1 A 47 47 GLY C C 47 176.240 176.025 0.215 2 1 216 . 1 1 A 47 47 GLY CA C 47 46.194 47.538 -1.344 2 1 217 . 1 1 A 47 47 GLY N N 47 108.474 107.437 1.037 2 1 218 . 1 1 A 48 48 VAL H H 48 8.224 8.032 0.192 2 1 219 . 1 1 A 48 48 VAL C C 48 177.059 177.902 -0.843 2 1 220 . 1 1 A 48 48 VAL CA C 48 65.592 66.037 -0.445 2 1 221 . 1 1 A 48 48 VAL CB C 48 31.403 31.817 -0.414 2 1 222 . 1 1 A 48 48 VAL N N 48 122.476 122.250 0.226 2 1 223 . 1 1 A 49 49 VAL H H 49 8.239 7.882 0.357 2 1 224 . 1 1 A 49 49 VAL C C 49 177.690 178.093 -0.403 2 1 225 . 1 1 A 49 49 VAL CA C 49 66.019 66.392 -0.373 2 1 226 . 1 1 A 49 49 VAL CB C 49 30.978 31.517 -0.539 2 1 227 . 1 1 A 49 49 VAL N N 49 120.200 119.996 0.204 2 1 228 . 1 1 A 50 50 HIS H H 50 8.267 7.974 0.293 2 1 229 . 1 1 A 50 50 HIS C C 50 177.650 177.803 -0.153 2 1 230 . 1 1 A 50 50 HIS CA C 50 57.977 59.020 -1.043 2 1 231 . 1 1 A 50 50 HIS CB C 50 28.423 29.829 -1.406 2 1 232 . 1 1 A 50 50 HIS N N 50 118.759 118.812 -0.053 2 1 233 . 1 1 A 51 51 GLY H H 51 8.413 8.199 0.214 2 1 234 . 1 1 A 51 51 GLY C C 51 175.215 175.872 -0.657 2 1 235 . 1 1 A 51 51 GLY CA C 51 46.648 47.224 -0.576 2 1 236 . 1 1 A 51 51 GLY N N 51 109.634 106.253 3.381 2 1 237 . 1 1 A 52 52 VAL H H 52 8.474 7.991 0.483 2 1 238 . 1 1 A 52 52 VAL C C 52 176.945 178.024 -1.079 2 1 239 . 1 1 A 52 52 VAL CA C 52 65.565 65.346 0.219 2 1 240 . 1 1 A 52 52 VAL CB C 52 30.871 31.480 -0.609 2 1 241 . 1 1 A 52 52 VAL N N 52 121.400 121.102 0.298 2 1 242 . 1 1 A 53 53 ALA H H 53 8.155 7.854 0.301 2 1 243 . 1 1 A 53 53 ALA C C 53 179.992 180.135 -0.143 2 1 244 . 1 1 A 53 53 ALA CA C 53 54.583 55.281 -0.698 2 1 245 . 1 1 A 53 53 ALA CB C 53 17.244 18.349 -1.105 2 1 246 . 1 1 A 53 53 ALA N N 53 122.441 124.244 -1.803 2 1 247 . 1 1 A 54 54 THR H H 54 7.965 7.560 0.405 2 1 248 . 1 1 A 54 54 THR C C 54 176.319 176.477 -0.158 2 1 249 . 1 1 A 54 54 THR CA C 54 64.950 66.212 -1.262 2 1 250 . 1 1 A 54 54 THR CB C 54 68.291 68.258 0.033 2 1 251 . 1 1 A 54 54 THR N N 54 113.917 114.806 -0.889 2 1 252 . 1 1 A 55 55 VAL H H 55 7.898 8.216 -0.318 2 1 253 . 1 1 A 55 55 VAL C C 55 177.983 178.387 -0.404 2 1 254 . 1 1 A 55 55 VAL CA C 55 65.057 65.978 -0.921 2 1 255 . 1 1 A 55 55 VAL CB C 55 31.031 31.273 -0.242 2 1 256 . 1 1 A 55 55 VAL N N 55 121.800 121.106 0.694 2 1 257 . 1 1 A 56 56 ALA H H 56 8.659 7.712 0.947 2 1 258 . 1 1 A 56 56 ALA C C 56 178.781 179.441 -0.660 2 1 259 . 1 1 A 56 56 ALA CA C 56 54.530 55.029 -0.499 2 1 260 . 1 1 A 56 56 ALA CB C 56 17.404 18.235 -0.831 2 1 261 . 1 1 A 56 56 ALA N N 56 125.282 122.419 2.863 2 1 262 . 1 1 A 57 57 GLU H H 57 8.100 7.715 0.385 2 1 263 . 1 1 A 57 57 GLU CA C 57 58.778 59.169 -0.391 2 1 264 . 1 1 A 57 57 GLU CB C 57 28.635 29.790 -1.155 2 1 265 . 1 1 A 57 57 GLU N N 57 118.719 118.920 -0.201 2 1 266 . 1 1 A 58 58 LYS H H 58 8.094 7.453 0.641 2 1 267 . 1 1 A 58 58 LYS C C 58 178.688 179.316 -0.628 2 1 268 . 1 1 A 58 58 LYS CA C 58 57.709 59.144 -1.435 2 1 269 . 1 1 A 58 58 LYS CB C 58 31.350 32.504 -1.154 2 1 270 . 1 1 A 58 58 LYS N N 58 118.959 119.492 -0.533 2 1 271 . 1 1 A 59 59 THR H H 59 8.044 7.915 0.129 2 1 272 . 1 1 A 59 59 THR C C 59 175.920 176.602 -0.682 2 1 273 . 1 1 A 59 59 THR CA C 59 65.030 66.448 -1.418 2 1 274 . 1 1 A 59 59 THR CB C 59 68.131 68.778 -0.647 2 1 275 . 1 1 A 59 59 THR N N 59 114.837 117.537 -2.700 2 1 276 . 1 1 A 60 60 LYS H H 60 8.060 7.943 0.117 2 1 277 . 1 1 A 60 60 LYS C C 60 178.329 179.343 -1.014 2 1 278 . 1 1 A 60 60 LYS CA C 60 59.286 59.440 -0.154 2 1 279 . 1 1 A 60 60 LYS CB C 60 31.084 32.245 -1.161 2 1 280 . 1 1 A 60 60 LYS N N 60 121.800 119.555 2.245 2 1 281 . 1 1 A 61 61 GLU H H 61 8.021 8.223 -0.202 2 1 282 . 1 1 A 61 61 GLU C C 61 177.876 178.765 -0.889 2 1 283 . 1 1 A 61 61 GLU CA C 61 58.244 59.102 -0.858 2 1 284 . 1 1 A 61 61 GLU CB C 61 28.689 28.932 -0.243 2 1 285 . 1 1 A 61 61 GLU N N 61 119.079 120.042 -0.963 2 1 286 . 1 1 A 62 62 GLN H H 62 7.926 7.624 0.302 2 1 287 . 1 1 A 62 62 GLN C C 62 177.823 178.068 -0.245 2 1 288 . 1 1 A 62 62 GLN CA C 62 57.202 58.520 -1.318 2 1 289 . 1 1 A 62 62 GLN CB C 62 28.210 28.805 -0.595 2 1 290 . 1 1 A 62 62 GLN N N 62 118.159 120.100 -1.941 2 1 291 . 1 1 A 63 63 VAL H H 63 8.189 7.841 0.348 2 1 292 . 1 1 A 63 63 VAL C C 63 177.011 177.937 -0.926 2 1 293 . 1 1 A 63 63 VAL CA C 63 64.550 65.709 -1.159 2 1 294 . 1 1 A 63 63 VAL CB C 63 31.031 31.400 -0.369 2 1 295 . 1 1 A 63 63 VAL N N 63 118.679 118.887 -0.208 2 1 296 . 1 1 A 64 64 THR H H 64 8.077 7.832 0.245 2 1 297 . 1 1 A 64 64 THR C C 64 175.654 177.441 -1.787 2 1 298 . 1 1 A 64 64 THR CA C 64 64.229 65.902 -1.673 2 1 299 . 1 1 A 64 64 THR CB C 64 68.451 68.376 0.075 2 1 300 . 1 1 A 64 64 THR N N 64 115.157 114.187 0.970 2 1 301 . 1 1 A 65 65 ASN H H 65 8.178 7.771 0.407 2 1 302 . 1 1 A 65 65 ASN C C 65 176.601 177.973 -1.372 2 1 303 . 1 1 A 65 65 ASN CA C 65 54.263 56.148 -1.885 2 1 304 . 1 1 A 65 65 ASN CB C 65 37.897 38.797 -0.900 2 1 305 . 1 1 A 65 65 ASN N N 65 120.680 121.504 -0.824 2 1 306 . 1 1 A 66 66 VAL H H 66 8.144 8.305 -0.161 2 1 307 . 1 1 A 66 66 VAL C C 66 177.007 178.274 -1.267 2 1 308 . 1 1 A 66 66 VAL CA C 66 63.695 66.461 -2.766 2 1 309 . 1 1 A 66 66 VAL CB C 66 31.403 31.393 0.010 2 1 310 . 1 1 A 66 66 VAL N N 66 119.399 120.484 -1.085 2 1 311 . 1 1 A 67 67 GLY H H 67 8.446 8.866 -0.420 2 1 312 . 1 1 A 67 67 GLY C C 67 175.109 176.354 -1.245 2 1 313 . 1 1 A 67 67 GLY CA C 67 46.381 47.257 -0.876 2 1 314 . 1 1 A 67 67 GLY N N 67 109.674 108.486 1.188 2 1 315 . 1 1 A 68 68 GLY H H 68 8.312 8.549 -0.237 2 1 316 . 1 1 A 68 68 GLY C C 68 175.468 175.918 -0.450 2 1 317 . 1 1 A 68 68 GLY CA C 68 46.274 46.146 0.128 2 1 318 . 1 1 A 68 68 GLY N N 68 108.634 109.857 -1.223 2 1 319 . 1 1 A 69 69 ALA H H 69 8.105 8.495 -0.390 2 1 320 . 1 1 A 69 69 ALA C C 69 179.939 179.628 0.311 2 1 321 . 1 1 A 69 69 ALA CA C 69 53.866 54.628 -0.762 2 1 322 . 1 1 A 69 69 ALA CB C 69 17.617 18.728 -1.111 2 1 323 . 1 1 A 69 69 ALA N N 69 124.842 123.619 1.223 2 1 324 . 1 1 A 70 70 VAL H H 70 8.144 8.080 0.064 2 1 325 . 1 1 A 70 70 VAL CA C 70 65.378 65.560 -0.182 2 1 326 . 1 1 A 70 70 VAL CB C 70 31.137 31.502 -0.365 2 1 327 . 1 1 A 70 70 VAL N N 70 119.159 116.322 2.837 2 1 328 . 1 1 A 71 71 VAL H H 71 8.094 7.671 0.423 2 1 329 . 1 1 A 71 71 VAL C C 71 178.568 178.233 0.335 2 1 330 . 1 1 A 71 71 VAL CA C 71 66.046 66.749 -0.703 2 1 331 . 1 1 A 71 71 VAL CB C 71 31.137 31.693 -0.556 2 1 332 . 1 1 A 71 71 VAL N N 71 120.080 121.402 -1.322 2 1 333 . 1 1 A 72 72 THR H H 72 8.301 7.621 0.680 2 1 334 . 1 1 A 72 72 THR C C 72 176.665 177.133 -0.468 2 1 335 . 1 1 A 72 72 THR CA C 72 65.298 65.439 -0.141 2 1 336 . 1 1 A 72 72 THR CB C 72 68.078 67.931 0.147 2 1 337 . 1 1 A 72 72 THR N N 72 117.438 112.041 5.397 2 1 338 . 1 1 A 73 73 GLY H H 73 8.278 8.500 -0.222 2 1 339 . 1 1 A 73 73 GLY C C 73 175.242 175.569 -0.327 2 1 340 . 1 1 A 73 73 GLY CA C 73 46.728 47.239 -0.511 2 1 341 . 1 1 A 73 73 GLY N N 73 110.835 111.733 -0.898 2 1 342 . 1 1 A 74 74 VAL H H 74 8.575 8.398 0.177 2 1 343 . 1 1 A 74 74 VAL C C 74 177.437 177.921 -0.484 2 1 344 . 1 1 A 74 74 VAL CA C 74 65.752 65.703 0.049 2 1 345 . 1 1 A 74 74 VAL CB C 74 30.871 31.742 -0.871 2 1 346 . 1 1 A 74 74 VAL N N 74 120.920 122.701 -1.781 2 1 347 . 1 1 A 75 75 THR H H 75 8.145 8.001 0.144 2 1 348 . 1 1 A 75 75 THR C C 75 175.880 176.472 -0.592 2 1 349 . 1 1 A 75 75 THR CA C 75 66.260 66.704 -0.444 2 1 350 . 1 1 A 75 75 THR CB C 75 67.865 68.479 -0.614 2 1 351 . 1 1 A 75 75 THR N N 75 115.589 116.965 -1.376 2 1 352 . 1 1 A 76 76 ALA H H 76 7.837 7.715 0.122 2 1 353 . 1 1 A 76 76 ALA C C 76 180.537 180.413 0.124 2 1 354 . 1 1 A 76 76 ALA CA C 76 54.530 55.110 -0.580 2 1 355 . 1 1 A 76 76 ALA CB C 76 17.298 18.041 -0.743 2 1 356 . 1 1 A 76 76 ALA N N 76 123.761 123.676 0.085 2 1 357 . 1 1 A 77 77 VAL H H 77 7.820 7.885 -0.065 2 1 358 . 1 1 A 77 77 VAL C C 77 178.395 177.940 0.455 2 1 359 . 1 1 A 77 77 VAL CA C 77 65.084 66.328 -1.244 2 1 360 . 1 1 A 77 77 VAL CB C 77 31.190 31.466 -0.276 2 1 361 . 1 1 A 77 77 VAL N N 77 117.959 118.856 -0.897 2 1 362 . 1 1 A 78 78 ALA H H 78 8.519 8.486 0.033 2 1 363 . 1 1 A 78 78 ALA C C 78 178.728 179.992 -1.264 2 1 364 . 1 1 A 78 78 ALA CA C 78 54.770 55.907 -1.137 2 1 365 . 1 1 A 78 78 ALA CB C 78 17.404 18.315 -0.911 2 1 366 . 1 1 A 78 78 ALA N N 78 124.922 121.759 3.163 2 1 367 . 1 1 A 79 79 GLN H H 79 8.245 7.931 0.314 2 1 368 . 1 1 A 79 79 GLN C C 79 177.889 177.938 -0.049 2 1 369 . 1 1 A 79 79 GLN CA C 79 58.110 57.804 0.306 2 1 370 . 1 1 A 79 79 GLN CB C 79 27.358 28.556 -1.198 2 1 371 . 1 1 A 79 79 GLN N N 79 116.958 116.787 0.171 2 1 372 . 1 1 A 80 80 LYS H H 80 7.926 7.518 0.408 2 1 373 . 1 1 A 80 80 LYS C C 80 178.608 179.415 -0.807 2 1 374 . 1 1 A 80 80 LYS CA C 80 57.763 58.884 -1.121 2 1 375 . 1 1 A 80 80 LYS CB C 80 31.297 31.900 -0.603 2 1 376 . 1 1 A 80 80 LYS N N 80 119.119 120.840 -1.721 2 1 377 . 1 1 A 81 81 THR H H 81 8.066 7.592 0.474 2 1 378 . 1 1 A 81 81 THR C C 81 175.774 175.872 -0.098 2 1 379 . 1 1 A 81 81 THR CA C 81 65.164 66.749 -1.585 2 1 380 . 1 1 A 81 81 THR CB C 81 68.078 68.984 -0.906 2 1 381 . 1 1 A 81 81 THR N N 81 116.238 116.304 -0.066 2 1 382 . 1 1 A 82 82 VAL H H 82 8.007 7.657 0.350 2 1 383 . 1 1 A 82 82 VAL C C 82 177.656 178.230 -0.574 2 1 384 . 1 1 A 82 82 VAL CA C 82 64.710 65.741 -1.031 2 1 385 . 1 1 A 82 82 VAL CB C 82 31.297 31.429 -0.132 2 1 386 . 1 1 A 82 82 VAL N N 82 121.070 117.097 3.973 2 1 387 . 1 1 A 83 83 GLU H H 83 8.178 8.437 -0.259 2 1 388 . 1 1 A 83 83 GLU C C 83 178.448 180.011 -1.563 2 1 389 . 1 1 A 83 83 GLU CA C 83 57.897 59.389 -1.492 2 1 390 . 1 1 A 83 83 GLU CB C 83 28.742 29.060 -0.318 2 1 391 . 1 1 A 83 83 GLU N N 83 121.560 122.000 -0.440 2 1 392 . 1 1 A 84 84 GLY H H 84 8.211 8.076 0.135 2 1 393 . 1 1 A 84 84 GLY C C 84 174.803 176.087 -1.284 2 1 394 . 1 1 A 84 84 GLY CA C 84 45.713 46.815 -1.102 2 1 395 . 1 1 A 84 84 GLY N N 84 108.634 109.138 -0.504 2 1 396 . 1 1 A 85 85 ALA H H 85 8.239 7.778 0.461 2 1 397 . 1 1 A 85 85 ALA C C 85 178.648 179.877 -1.229 2 1 398 . 1 1 A 85 85 ALA CA C 85 53.434 55.116 -1.682 2 1 399 . 1 1 A 85 85 ALA CB C 85 17.883 18.445 -0.562 2 1 400 . 1 1 A 85 85 ALA N N 85 124.002 124.685 -0.683 2 1 401 . 1 1 A 86 86 GLY H H 86 8.413 8.336 0.077 2 1 402 . 1 1 A 86 86 GLY C C 86 175.268 175.612 -0.344 2 1 403 . 1 1 A 86 86 GLY CA C 86 45.873 47.096 -1.223 2 1 404 . 1 1 A 86 86 GLY N N 86 106.953 106.379 0.574 2 1 405 . 1 1 A 87 87 SER H H 87 8.066 7.943 0.123 2 1 406 . 1 1 A 87 87 SER C C 87 176.000 177.298 -1.298 2 1 407 . 1 1 A 87 87 SER CA C 87 59.500 61.244 -1.744 2 1 408 . 1 1 A 87 87 SER CB C 87 62.862 62.791 0.071 2 1 409 . 1 1 A 87 87 SER N N 87 116.718 116.486 0.232 2 1 410 . 1 1 A 88 88 ILE H H 88 8.312 7.401 0.911 2 1 411 . 1 1 A 88 88 ILE C C 88 177.756 177.702 0.054 2 1 412 . 1 1 A 88 88 ILE CA C 88 63.187 65.555 -2.368 2 1 413 . 1 1 A 88 88 ILE CB C 88 36.620 37.827 -1.207 2 1 414 . 1 1 A 88 88 ILE N N 88 123.201 121.903 1.298 2 1 415 . 1 1 A 89 89 ALA H H 89 8.435 8.294 0.141 2 1 416 . 1 1 A 89 89 ALA C C 89 179.353 179.470 -0.117 2 1 417 . 1 1 A 89 89 ALA CA C 89 54.263 55.521 -1.258 2 1 418 . 1 1 A 89 89 ALA CB C 89 17.244 17.840 -0.596 2 1 419 . 1 1 A 89 89 ALA N N 89 124.522 122.756 1.766 2 1 420 . 1 1 A 90 90 ALA H H 90 8.044 7.722 0.322 2 1 421 . 1 1 A 90 90 ALA C C 90 179.473 179.463 0.010 2 1 422 . 1 1 A 90 90 ALA CA C 90 53.568 54.033 -0.465 2 1 423 . 1 1 A 90 90 ALA CB C 90 17.457 18.728 -1.271 2 1 424 . 1 1 A 90 90 ALA N N 90 120.560 119.926 0.634 2 1 425 . 1 1 A 91 91 ALA H H 91 7.977 7.864 0.113 2 1 426 . 1 1 A 91 91 ALA C C 91 178.502 179.531 -1.029 2 1 427 . 1 1 A 91 91 ALA CA C 91 53.488 55.069 -1.581 2 1 428 . 1 1 A 91 91 ALA CB C 91 18.043 18.364 -0.321 2 1 429 . 1 1 A 91 91 ALA N N 91 121.040 119.938 1.102 2 1 430 . 1 1 A 92 92 THR H H 92 7.814 7.577 0.237 2 1 431 . 1 1 A 92 92 THR C C 92 175.441 175.535 -0.094 2 1 432 . 1 1 A 92 92 THR CA C 92 62.706 66.146 -3.440 2 1 433 . 1 1 A 92 92 THR CB C 92 69.302 68.541 0.761 2 1 434 . 1 1 A 92 92 THR N N 92 108.354 112.937 -4.583 2 1 435 . 1 1 A 93 93 GLY H H 93 7.910 8.461 -0.551 2 1 436 . 1 1 A 93 93 GLY C C 93 174.497 173.562 0.935 2 1 437 . 1 1 A 93 93 GLY CA C 93 45.445 46.247 -0.802 2 1 438 . 1 1 A 93 93 GLY N N 93 108.994 108.475 0.519 2 1 439 . 1 1 A 94 94 PHE H H 94 7.932 8.171 -0.239 2 1 440 . 1 1 A 94 94 PHE C C 94 175.455 175.232 0.223 2 1 441 . 1 1 A 94 94 PHE CA C 94 58.511 58.517 -0.006 2 1 442 . 1 1 A 94 94 PHE CB C 94 38.483 39.587 -1.104 2 1 443 . 1 1 A 94 94 PHE N N 94 120.120 125.162 -5.042 2 1 444 . 1 1 A 95 95 VAL H H 95 7.636 8.466 -0.830 2 1 445 . 1 1 A 95 95 VAL C C 95 175.335 175.473 -0.138 2 1 446 . 1 1 A 95 95 VAL CA C 95 61.477 62.346 -0.869 2 1 447 . 1 1 A 95 95 VAL CB C 95 32.468 31.649 0.819 2 1 448 . 1 1 A 95 95 VAL N N 95 119.359 120.713 -1.354 2 1 449 . 1 1 A 96 96 LYS H H 96 8.267 8.606 -0.339 2 1 450 . 1 1 A 96 96 LYS C C 96 176.652 175.741 0.911 2 1 451 . 1 1 A 96 96 LYS CA C 96 55.839 57.023 -1.184 2 1 452 . 1 1 A 96 96 LYS CB C 96 31.723 33.254 -1.531 2 1 453 . 1 1 A 96 96 LYS N N 96 124.842 127.611 -2.769 2 1 454 . 1 1 A 97 97 LYS H H 97 8.429 8.938 -0.509 2 1 455 . 1 1 A 97 97 LYS C C 97 176.625 174.177 2.448 2 1 456 . 1 1 A 97 97 LYS CA C 97 56.267 54.955 1.312 2 1 457 . 1 1 A 97 97 LYS CB C 97 31.723 34.834 -3.111 2 1 458 . 1 1 A 97 97 LYS N N 97 123.481 122.046 1.435 2 1 459 . 1 1 A 98 98 ASP H H 98 8.396 9.012 -0.616 2 1 460 . 1 1 A 98 98 ASP C C 98 176.359 175.978 0.381 2 1 461 . 1 1 A 98 98 ASP CA C 98 54.183 53.164 1.019 2 1 462 . 1 1 A 98 98 ASP CB C 98 40.239 41.494 -1.255 2 1 463 . 1 1 A 98 98 ASP N N 98 121.360 126.300 -4.940 2 1 464 . 1 1 A 99 99 GLN H H 99 8.318 8.624 -0.306 2 1 465 . 1 1 A 99 99 GLN C C 99 176.280 175.609 0.671 2 1 466 . 1 1 A 99 99 GLN CA C 99 55.412 56.137 -0.725 2 1 467 . 1 1 A 99 99 GLN CB C 99 28.263 31.093 -2.830 2 1 468 . 1 1 A 99 99 GLN N N 99 120.800 122.628 -1.828 2 1 469 . 1 1 A 100 100 LEU H H 100 8.211 7.865 0.346 2 1 470 . 1 1 A 100 100 LEU C C 100 178.089 176.702 1.387 2 1 471 . 1 1 A 100 100 LEU CA C 100 55.118 53.206 1.912 2 1 472 . 1 1 A 100 100 LEU CB C 100 41.091 44.935 -3.844 2 1 473 . 1 1 A 100 100 LEU N N 100 123.041 119.854 3.187 2 1 474 . 1 1 A 101 101 GLY H H 101 8.413 8.553 -0.140 2 1 475 . 1 1 A 101 101 GLY C C 101 174.151 174.475 -0.324 2 1 476 . 1 1 A 101 101 GLY CA C 101 44.938 45.298 -0.360 2 1 477 . 1 1 A 101 101 GLY N N 101 110.075 112.269 -2.194 2 1 478 . 1 1 A 102 102 LYS H H 102 8.111 8.199 -0.088 2 1 479 . 1 1 A 102 102 LYS C C 102 176.439 175.643 0.796 2 1 480 . 1 1 A 102 102 LYS CA C 102 55.786 57.069 -1.283 2 1 481 . 1 1 A 102 102 LYS CB C 102 31.776 30.985 0.791 2 1 482 . 1 1 A 102 102 LYS N N 102 121.240 119.414 1.826 2 1 483 . 1 1 A 103 103 ASN H H 103 8.530 8.553 -0.023 2 1 484 . 1 1 A 103 103 ASN C C 103 175.162 174.389 0.773 2 1 485 . 1 1 A 103 103 ASN CA C 103 52.980 52.073 0.907 2 1 486 . 1 1 A 103 103 ASN CB C 103 38.217 39.371 -1.154 2 1 487 . 1 1 A 103 103 ASN N N 103 120.520 121.162 -0.642 2 1 488 . 1 1 A 104 104 GLU H H 104 8.429 8.424 0.005 2 1 489 . 1 1 A 104 104 GLU C C 104 176.532 176.369 0.163 2 1 490 . 1 1 A 104 104 GLU CA C 104 56.106 58.746 -2.640 2 1 491 . 1 1 A 104 104 GLU CB C 104 29.115 29.506 -0.391 2 1 492 . 1 1 A 104 104 GLU N N 104 122.201 121.435 0.766 2 1 493 . 1 1 A 105 105 GLU H H 105 8.441 7.693 0.748 2 1 494 . 1 1 A 105 105 GLU C C 105 177.011 175.812 1.199 2 1 495 . 1 1 A 105 105 GLU CA C 105 56.347 56.237 0.110 2 1 496 . 1 1 A 105 105 GLU CB C 105 29.221 32.902 -3.681 2 1 497 . 1 1 A 105 105 GLU N N 105 122.761 118.332 4.429 2 1 498 . 1 1 A 106 106 GLY H H 106 8.379 9.016 -0.637 2 1 499 . 1 1 A 106 106 GLY C C 106 173.445 173.505 -0.060 2 1 500 . 1 1 A 106 106 GLY CA C 106 44.537 46.031 -1.494 2 1 501 . 1 1 A 106 106 GLY N N 106 110.635 112.981 -2.346 2 1 502 . 1 1 A 107 107 ALA H H 107 8.128 7.947 0.181 2 1 503 . 1 1 A 107 107 ALA C C 107 175.654 177.235 -1.581 2 1 504 . 1 1 A 107 107 ALA CA C 107 50.068 52.772 -2.704 2 1 505 . 1 1 A 107 107 ALA CB C 107 17.032 17.380 -0.348 2 1 506 . 1 1 A 107 107 ALA N N 107 125.562 118.724 6.838 2 1 507 . 1 1 A 109 109 GLN H H 109 8.530 8.257 0.273 2 1 508 . 1 1 A 109 109 GLN C C 109 176.000 176.710 -0.710 2 1 509 . 1 1 A 109 109 GLN CA C 109 55.225 57.760 -2.535 2 1 510 . 1 1 A 109 109 GLN CB C 109 28.529 29.164 -0.635 2 1 511 . 1 1 A 109 109 GLN N N 109 121.640 123.168 -1.528 2 1 512 . 1 1 A 110 110 GLU H H 110 8.474 7.952 0.522 2 1 513 . 1 1 A 110 110 GLU C C 110 176.852 175.526 1.326 2 1 514 . 1 1 A 110 110 GLU CA C 110 56.187 56.727 -0.540 2 1 515 . 1 1 A 110 110 GLU CB C 110 29.274 32.979 -3.705 2 1 516 . 1 1 A 110 110 GLU N N 110 123.121 120.444 2.677 2 1 517 . 1 1 A 111 111 GLY H H 111 8.429 7.615 0.814 2 1 518 . 1 1 A 111 111 GLY C C 111 173.738 174.278 -0.540 2 1 519 . 1 1 A 111 111 GLY CA C 111 44.804 45.614 -0.810 2 1 520 . 1 1 A 111 111 GLY N N 111 110.715 106.811 3.904 2 1 521 . 1 1 A 112 112 ILE H H 112 7.965 8.584 -0.619 2 1 522 . 1 1 A 112 112 ILE C C 112 176.213 176.803 -0.590 2 1 523 . 1 1 A 112 112 ILE CA C 112 60.462 63.938 -3.476 2 1 524 . 1 1 A 112 112 ILE CB C 112 37.631 38.093 -0.462 2 1 525 . 1 1 A 112 112 ILE N N 112 120.840 117.866 2.974 2 1 526 . 1 1 A 113 113 LEU H H 113 8.357 7.603 0.754 2 1 527 . 1 1 A 113 113 LEU C C 113 177.065 178.059 -0.994 2 1 528 . 1 1 A 113 113 LEU CA C 113 54.530 54.547 -0.017 2 1 529 . 1 1 A 113 113 LEU CB C 113 41.197 42.301 -1.104 2 1 530 . 1 1 A 113 113 LEU N N 113 127.523 124.565 2.958 2 1 531 . 1 1 A 114 114 GLU H H 114 8.373 9.004 -0.631 2 1 532 . 1 1 A 114 114 GLU C C 114 175.854 175.797 0.057 2 1 533 . 1 1 A 114 114 GLU CA C 114 55.973 57.163 -1.190 2 1 534 . 1 1 A 114 114 GLU CB C 114 29.540 29.744 -0.204 2 1 535 . 1 1 A 114 114 GLU N N 114 122.921 122.067 0.854 2 1 536 . 1 1 A 115 115 ASP H H 115 8.318 8.200 0.118 2 1 537 . 1 1 A 115 115 ASP C C 115 175.774 176.234 -0.460 2 1 538 . 1 1 A 115 115 ASP CA C 115 53.889 55.334 -1.445 2 1 539 . 1 1 A 115 115 ASP CB C 115 40.452 39.999 0.453 2 1 540 . 1 1 A 115 115 ASP N N 115 122.081 118.983 3.098 2 1 541 . 1 1 A 116 116 MET H H 116 8.234 7.905 0.329 2 1 542 . 1 1 A 116 116 MET C C 116 174.084 174.750 -0.666 2 1 543 . 1 1 A 116 116 MET CA C 116 52.820 53.438 -0.618 2 1 544 . 1 1 A 116 116 MET CB C 116 31.457 33.303 -1.846 2 1 545 . 1 1 A 116 116 MET N N 116 122.601 117.811 4.790 2 1 546 . 1 1 A 118 118 VAL H H 118 8.234 7.577 0.657 2 1 547 . 1 1 A 118 118 VAL C C 118 175.774 175.444 0.330 2 1 548 . 1 1 A 118 118 VAL CA C 118 61.477 62.682 -1.205 2 1 549 . 1 1 A 118 118 VAL CB C 118 32.361 32.902 -0.541 2 1 550 . 1 1 A 118 118 VAL N N 118 121.200 118.817 2.383 2 1 551 . 1 1 A 119 119 ASP H H 119 8.457 8.858 -0.401 2 1 552 . 1 1 A 119 119 ASP C C 119 174.670 175.646 -0.976 2 1 553 . 1 1 A 119 119 ASP CA C 119 51.805 50.892 0.913 2 1 554 . 1 1 A 119 119 ASP CB C 119 40.239 41.196 -0.957 2 1 555 . 1 1 A 119 119 ASP N N 119 126.403 127.867 -1.464 2 1 556 . 1 1 A 121 121 ASP H H 121 8.340 8.589 -0.249 2 1 557 . 1 1 A 121 121 ASP C C 121 176.186 176.365 -0.179 2 1 558 . 1 1 A 121 121 ASP CA C 121 54.183 56.407 -2.224 2 1 559 . 1 1 A 121 121 ASP CB C 121 40.186 39.950 0.236 2 1 560 . 1 1 A 121 121 ASP N N 121 119.960 118.072 1.888 2 1 561 . 1 1 A 122 122 ASN H H 122 8.111 7.732 0.379 2 1 562 . 1 1 A 122 122 ASN C C 122 175.335 175.303 0.032 2 1 563 . 1 1 A 122 122 ASN CA C 122 53.141 51.991 1.150 2 1 564 . 1 1 A 122 122 ASN CB C 122 38.483 39.118 -0.635 2 1 565 . 1 1 A 122 122 ASN N N 122 119.599 116.158 3.441 2 1 566 . 1 1 A 123 123 GLU H H 123 8.329 8.157 0.172 2 1 567 . 1 1 A 123 123 GLU C C 123 176.013 175.078 0.935 2 1 568 . 1 1 A 123 123 GLU CA C 123 56.374 58.272 -1.898 2 1 569 . 1 1 A 123 123 GLU CB C 123 29.115 29.812 -0.697 2 1 570 . 1 1 A 123 123 GLU N N 123 122.201 118.422 3.779 2 1 571 . 1 1 A 124 124 ALA H H 124 8.167 8.823 -0.656 2 1 572 . 1 1 A 124 124 ALA C C 124 177.144 177.012 0.132 2 1 573 . 1 1 A 124 124 ALA CA C 124 51.831 51.089 0.742 2 1 574 . 1 1 A 124 124 ALA CB C 124 18.043 19.919 -1.876 2 1 575 . 1 1 A 124 124 ALA N N 124 125.002 117.070 7.932 2 1 576 . 1 1 A 125 125 TYR H H 125 7.993 8.689 -0.696 2 1 577 . 1 1 A 125 125 TYR C C 125 175.322 175.998 -0.676 2 1 578 . 1 1 A 125 125 TYR CA C 125 57.255 60.746 -3.491 2 1 579 . 1 1 A 125 125 TYR CB C 125 38.004 38.598 -0.594 2 1 580 . 1 1 A 125 125 TYR N N 125 120.560 117.544 3.016 2 1 581 . 1 1 A 126 126 GLU H H 126 8.116 8.140 -0.024 2 1 582 . 1 1 A 126 126 GLU C C 126 175.441 175.905 -0.464 2 1 583 . 1 1 A 126 126 GLU CA C 126 55.251 55.386 -0.135 2 1 584 . 1 1 A 126 126 GLU CB C 126 29.594 31.059 -1.465 2 1 585 . 1 1 A 126 126 GLU N N 126 124.242 117.089 7.153 2 1 586 . 1 1 A 127 127 MET H H 127 8.373 8.769 -0.396 2 1 587 . 1 1 A 127 127 MET C C 127 174.230 175.162 -0.932 2 1 588 . 1 1 A 127 127 MET CA C 127 52.873 57.593 -4.720 2 1 589 . 1 1 A 127 127 MET CB C 127 31.350 31.265 0.085 2 1 590 . 1 1 A 127 127 MET N N 127 124.362 122.073 2.289 2 1 591 . 1 1 A 129 129 SER H H 129 8.429 8.780 -0.351 2 1 592 . 1 1 A 129 129 SER C C 129 174.776 174.117 0.659 2 1 593 . 1 1 A 129 129 SER CA C 129 57.790 61.489 -3.699 2 1 594 . 1 1 A 129 129 SER CB C 129 63.075 62.688 0.387 2 1 595 . 1 1 A 129 129 SER N N 129 117.198 117.431 -0.233 2 1 596 . 1 1 A 130 130 GLU H H 130 8.519 8.079 0.440 2 1 597 . 1 1 A 130 130 GLU C C 130 176.492 175.651 0.841 2 1 598 . 1 1 A 130 130 GLU CA C 130 56.080 57.653 -1.573 2 1 599 . 1 1 A 130 130 GLU CB C 130 29.115 29.641 -0.526 2 1 600 . 1 1 A 130 130 GLU N N 130 123.721 119.650 4.071 2 1 601 . 1 1 A 131 131 GLU H H 131 8.429 8.815 -0.386 2 1 602 . 1 1 A 131 131 GLU C C 131 176.971 176.622 0.349 2 1 603 . 1 1 A 131 131 GLU CA C 131 56.347 55.489 0.858 2 1 604 . 1 1 A 131 131 GLU CB C 131 29.115 30.497 -1.382 2 1 605 . 1 1 A 131 131 GLU N N 131 122.561 121.615 0.946 2 1 606 . 1 1 A 132 132 GLY H H 132 8.351 8.206 0.145 2 1 607 . 1 1 A 132 132 GLY C C 132 173.791 174.319 -0.528 2 1 608 . 1 1 A 132 132 GLY CA C 132 44.724 45.628 -0.904 2 1 609 . 1 1 A 132 132 GLY N N 132 110.395 108.729 1.666 2 1 610 . 1 1 A 133 133 TYR H H 133 8.027 9.295 -1.268 2 1 611 . 1 1 A 133 133 TYR C C 133 175.654 174.454 1.200 2 1 612 . 1 1 A 133 133 TYR CA C 133 57.656 60.454 -2.798 2 1 613 . 1 1 A 133 133 TYR CB C 133 37.791 38.317 -0.526 2 1 614 . 1 1 A 133 133 TYR N N 133 120.880 120.974 -0.094 2 1 615 . 1 1 A 134 134 GLN H H 134 8.172 8.157 0.015 2 1 616 . 1 1 A 134 134 GLN C C 134 174.843 174.188 0.655 2 1 617 . 1 1 A 134 134 GLN CA C 134 54.957 54.492 0.465 2 1 618 . 1 1 A 134 134 GLN CB C 134 28.795 31.797 -3.002 2 1 619 . 1 1 A 134 134 GLN N N 134 123.241 113.551 9.690 2 1 620 . 1 1 A 135 135 ASP H H 135 8.189 8.035 0.154 2 1 621 . 1 1 A 135 135 ASP C C 135 175.455 174.903 0.552 2 1 622 . 1 1 A 135 135 ASP CA C 135 53.889 54.542 -0.653 2 1 623 . 1 1 A 135 135 ASP CB C 135 40.399 44.152 -3.753 2 1 624 . 1 1 A 135 135 ASP N N 135 122.201 122.785 -0.584 2 1 625 . 1 1 A 136 136 TYR H H 136 7.993 6.886 1.107 2 1 626 . 1 1 A 136 136 TYR C C 136 175.016 175.501 -0.485 2 1 627 . 1 1 A 136 136 TYR CA C 136 57.095 55.687 1.408 2 1 628 . 1 1 A 136 136 TYR CB C 136 38.163 41.648 -3.485 2 1 629 . 1 1 A 136 136 TYR N N 136 120.960 115.750 5.210 2 1 630 . 1 1 A 137 137 GLU H H 137 8.217 8.929 -0.712 2 1 631 . 1 1 A 137 137 GLU C C 137 173.778 177.160 -3.382 2 1 632 . 1 1 A 137 137 GLU CA C 137 53.247 61.441 -8.194 2 1 633 . 1 1 A 137 137 GLU CB C 137 29.115 28.297 0.818 2 1 634 . 1 1 A 137 137 GLU N N 137 125.882 123.230 2.652 2 1 635 . 1 1 A 139 139 GLU H H 139 8.457 8.983 -0.526 2 1 636 . 1 1 A 139 139 GLU C C 139 175.361 176.464 -1.103 2 1 637 . 1 1 A 139 139 GLU CA C 139 56.187 59.307 -3.120 2 1 638 . 1 1 A 139 139 GLU CB C 139 29.168 29.704 -0.536 2 1 639 . 1 1 A 139 139 GLU N N 139 122.001 120.633 1.368 2 stop_ save_