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
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