data_15268_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15268
_Entry.PDB_ID 2JQ3
_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 10
_Entity_delta_chem_shifts.Best_conformer 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 3 . 1 1 1 A 2 2 GLU H H 2 8.776 8.838 -0.062 1
1 4 . 1 1 1 A 2 2 GLU HA H 2 4.415 4.972 -0.557 1
1 5 . 1 1 1 A 2 2 GLU C C 2 171.203 174.771 -3.568 1
1 6 . 1 1 1 A 2 2 GLU CA C 2 56.971 54.961 2.010 1
1 7 . 1 1 1 A 2 2 GLU CB C 2 29.269 33.423 -4.154 1
1 8 . 1 1 1 A 2 2 GLU N N 2 121.323 121.561 -0.238 1
1 9 . 1 1 1 A 3 3 ALA H H 3 8.283 8.548 -0.265 1
1 10 . 1 1 1 A 3 3 ALA HA H 3 4.317 4.309 0.008 1
1 11 . 1 1 1 A 3 3 ALA C C 3 176.007 178.896 -2.889 1
1 12 . 1 1 1 A 3 3 ALA CA C 3 53.244 52.677 0.567 1
1 13 . 1 1 1 A 3 3 ALA CB C 3 19.153 18.875 0.278 1
1 14 . 1 1 1 A 3 3 ALA N N 3 123.378 124.323 -0.945 1
1 15 . 1 1 1 A 4 4 GLU H H 4 8.109 8.985 -0.876 1
1 16 . 1 1 1 A 4 4 GLU HA H 4 4.366 4.018 0.348 1
1 17 . 1 1 1 A 4 4 GLU C C 4 177.975 177.617 0.358 1
1 18 . 1 1 1 A 4 4 GLU CA C 4 56.850 58.919 -2.069 1
1 19 . 1 1 1 A 4 4 GLU CB C 4 29.078 29.896 -0.818 1
1 20 . 1 1 1 A 4 4 GLU N N 4 118.121 125.299 -7.178 1
1 21 . 1 1 1 A 5 5 ASP H H 5 8.201 7.961 0.240 1
1 22 . 1 1 1 A 5 5 ASP HA H 5 4.659 4.413 0.246 1
1 23 . 1 1 1 A 5 5 ASP C C 5 176.393 177.739 -1.346 1
1 24 . 1 1 1 A 5 5 ASP CA C 5 54.166 57.117 -2.951 1
1 25 . 1 1 1 A 5 5 ASP CB C 5 39.422 40.466 -1.044 1
1 26 . 1 1 1 A 5 5 ASP N N 5 119.089 118.731 0.358 1
1 27 . 1 1 1 A 6 6 ALA H H 6 8.045 7.255 0.790 1
1 28 . 1 1 1 A 6 6 ALA HA H 6 4.376 4.222 0.154 1
1 29 . 1 1 1 A 6 6 ALA C C 6 175.403 177.564 -2.161 1
1 30 . 1 1 1 A 6 6 ALA CA C 6 53.166 53.123 0.043 1
1 31 . 1 1 1 A 6 6 ALA CB C 6 19.232 19.160 0.072 1
1 32 . 1 1 1 A 6 6 ALA N N 6 123.242 122.683 0.559 1
1 33 . 1 1 1 A 7 7 SER H H 7 8.168 8.906 -0.738 1
1 34 . 1 1 1 A 7 7 SER HA H 7 4.543 4.548 -0.005 1
1 35 . 1 1 1 A 7 7 SER C C 7 177.957 176.063 1.894 1
1 36 . 1 1 1 A 7 7 SER CA C 7 59.090 58.563 0.527 1
1 37 . 1 1 1 A 7 7 SER CB C 7 64.084 64.303 -0.219 1
1 38 . 1 1 1 A 7 7 SER N N 7 115.046 117.531 -2.485 1
1 39 . 1 1 1 A 8 8 LEU H H 8 8.410 8.826 -0.416 1
1 40 . 1 1 1 A 8 8 LEU HA H 8 4.297 4.260 0.037 1
1 41 . 1 1 1 A 8 8 LEU C C 8 175.818 177.791 -1.973 1
1 42 . 1 1 1 A 8 8 LEU CA C 8 58.225 57.005 1.220 1
1 43 . 1 1 1 A 8 8 LEU CB C 8 42.057 41.907 0.150 1
1 44 . 1 1 1 A 8 8 LEU N N 8 124.101 124.136 -0.035 1
1 45 . 1 1 1 A 9 9 LEU H H 9 8.007 7.757 0.250 1
1 46 . 1 1 1 A 9 9 LEU HA H 9 4.245 4.239 0.006 1
1 47 . 1 1 1 A 9 9 LEU C C 9 178.573 178.664 -0.091 1
1 48 . 1 1 1 A 9 9 LEU CA C 9 57.976 55.853 2.123 1
1 49 . 1 1 1 A 9 9 LEU CB C 9 41.475 41.880 -0.405 1
1 50 . 1 1 1 A 9 9 LEU N N 9 117.546 119.791 -2.245 1
1 51 . 1 1 1 A 10 10 SER H H 10 7.979 8.452 -0.473 1
1 52 . 1 1 1 A 10 10 SER HA H 10 4.320 4.116 0.204 1
1 53 . 1 1 1 A 10 10 SER C C 10 178.812 177.056 1.756 1
1 54 . 1 1 1 A 10 10 SER CA C 10 61.538 61.670 -0.132 1
1 55 . 1 1 1 A 10 10 SER CB C 10 62.776 63.012 -0.236 1
1 56 . 1 1 1 A 10 10 SER N N 10 114.105 115.329 -1.224 1
1 57 . 1 1 1 A 11 11 PHE H H 11 8.046 8.576 -0.530 1
1 58 . 1 1 1 A 11 11 PHE HA H 11 4.439 4.359 0.080 1
1 59 . 1 1 1 A 11 11 PHE C C 11 177.370 178.236 -0.866 1
1 60 . 1 1 1 A 11 11 PHE CA C 11 60.823 60.632 0.191 1
1 61 . 1 1 1 A 11 11 PHE CB C 11 39.190 38.977 0.213 1
1 62 . 1 1 1 A 11 11 PHE N N 11 122.342 119.653 2.689 1
1 63 . 1 1 1 A 12 12 MET H H 12 8.260 8.280 -0.020 1
1 64 . 1 1 1 A 12 12 MET HA H 12 4.303 4.178 0.125 1
1 65 . 1 1 1 A 12 12 MET C C 12 177.760 178.882 -1.122 1
1 66 . 1 1 1 A 12 12 MET CA C 12 58.034 58.765 -0.731 1
1 67 . 1 1 1 A 12 12 MET CB C 12 32.703 32.671 0.032 1
1 68 . 1 1 1 A 12 12 MET N N 12 118.124 117.622 0.502 1
1 69 . 1 1 1 A 13 13 GLN H H 13 8.371 8.428 -0.057 1
1 70 . 1 1 1 A 13 13 GLN HA H 13 4.082 3.968 0.114 1
1 71 . 1 1 1 A 13 13 GLN C C 13 177.866 179.404 -1.538 1
1 72 . 1 1 1 A 13 13 GLN CA C 13 59.149 58.908 0.241 1
1 73 . 1 1 1 A 13 13 GLN CB C 13 28.792 28.343 0.449 1
1 74 . 1 1 1 A 13 13 GLN N N 13 118.154 118.716 -0.562 1
1 75 . 1 1 1 A 14 14 GLY H H 14 8.029 8.167 -0.138 1
1 76 . 1 1 1 A 14 14 GLY HA2 H 14 3.916 3.690 0.226 1
1 77 . 1 1 1 A 14 14 GLY C C 14 178.079 175.290 2.789 1
1 78 . 1 1 1 A 14 14 GLY CA C 14 46.795 47.174 -0.379 1
1 79 . 1 1 1 A 14 14 GLY N N 14 106.304 108.816 -2.512 1
1 80 . 1 1 1 A 15 15 TYR H H 15 7.950 8.312 -0.362 1
1 81 . 1 1 1 A 15 15 TYR HA H 15 4.307 4.124 0.183 1
1 82 . 1 1 1 A 15 15 TYR C C 15 175.811 177.427 -1.616 1
1 83 . 1 1 1 A 15 15 TYR CA C 15 61.112 61.656 -0.544 1
1 84 . 1 1 1 A 15 15 TYR CB C 15 39.251 38.888 0.363 1
1 85 . 1 1 1 A 15 15 TYR N N 15 121.528 123.657 -2.129 1
1 86 . 1 1 1 A 16 16 MET H H 16 8.199 8.164 0.035 1
1 87 . 1 1 1 A 16 16 MET HA H 16 4.307 4.076 0.231 1
1 88 . 1 1 1 A 16 16 MET C C 16 177.685 178.401 -0.716 1
1 89 . 1 1 1 A 16 16 MET CA C 16 57.476 58.844 -1.368 1
1 90 . 1 1 1 A 16 16 MET CB C 16 32.342 32.140 0.202 1
1 91 . 1 1 1 A 16 16 MET N N 16 117.173 117.455 -0.282 1
1 92 . 1 1 1 A 17 17 LYS H H 17 7.924 7.602 0.322 1
1 93 . 1 1 1 A 17 17 LYS HA H 17 4.190 4.064 0.126 1
1 94 . 1 1 1 A 17 17 LYS C C 17 177.849 178.727 -0.878 1
1 95 . 1 1 1 A 17 17 LYS CA C 17 58.393 59.112 -0.719 1
1 96 . 1 1 1 A 17 17 LYS CB C 17 32.311 32.364 -0.053 1
1 97 . 1 1 1 A 17 17 LYS N N 17 118.640 121.023 -2.383 1
1 98 . 1 1 1 A 18 18 HIS H H 18 7.889 8.878 -0.989 1
1 99 . 1 1 1 A 18 18 HIS HA H 18 4.542 4.139 0.403 1
1 100 . 1 1 1 A 18 18 HIS C C 18 177.796 177.281 0.515 1
1 101 . 1 1 1 A 18 18 HIS CA C 18 56.698 59.403 -2.705 1
1 102 . 1 1 1 A 18 18 HIS CB C 18 28.505 29.996 -1.491 1
1 103 . 1 1 1 A 18 18 HIS N N 18 116.031 120.045 -4.014 1
1 104 . 1 1 1 A 19 19 ALA H H 19 8.144 9.088 -0.944 1
1 105 . 1 1 1 A 19 19 ALA HA H 19 4.282 3.859 0.423 1
1 106 . 1 1 1 A 19 19 ALA C C 19 178.213 179.352 -1.139 1
1 107 . 1 1 1 A 19 19 ALA CA C 19 54.166 54.535 -0.369 1
1 108 . 1 1 1 A 19 19 ALA CB C 19 19.133 18.163 0.970 1
1 109 . 1 1 1 A 19 19 ALA N N 19 123.402 120.777 2.625 1
1 110 . 1 1 1 A 20 20 THR H H 20 8.186 7.330 0.856 1
1 111 . 1 1 1 A 20 20 THR HA H 20 4.128 3.947 0.181 1
1 112 . 1 1 1 A 20 20 THR C C 20 178.380 176.482 1.898 1
1 113 . 1 1 1 A 20 20 THR CA C 20 64.460 65.528 -1.068 1
1 114 . 1 1 1 A 20 20 THR CB C 20 69.213 68.496 0.717 1
1 115 . 1 1 1 A 20 20 THR N N 20 111.155 114.039 -2.884 1
1 116 . 1 1 1 A 21 21 LYS H H 21 7.715 8.308 -0.593 1
1 117 . 1 1 1 A 21 21 LYS HA H 21 4.349 3.959 0.390 1
1 118 . 1 1 1 A 21 21 LYS C C 21 175.517 179.633 -4.116 1
1 119 . 1 1 1 A 21 21 LYS CA C 21 58.000 59.395 -1.395 1
1 120 . 1 1 1 A 21 21 LYS CB C 21 32.848 32.211 0.637 1
1 121 . 1 1 1 A 21 21 LYS N N 21 121.662 120.561 1.101 1
1 122 . 1 1 1 A 22 22 THR H H 22 8.000 7.660 0.340 1
1 123 . 1 1 1 A 22 22 THR HA H 22 4.297 3.949 0.348 1
1 124 . 1 1 1 A 22 22 THR C C 22 177.240 176.273 0.967 1
1 125 . 1 1 1 A 22 22 THR CA C 22 64.040 65.453 -1.413 1
1 126 . 1 1 1 A 22 22 THR CB C 22 69.733 68.236 1.497 1
1 127 . 1 1 1 A 22 22 THR N N 22 113.812 117.459 -3.647 1
1 128 . 1 1 1 A 23 23 ALA H H 23 8.412 7.712 0.700 1
1 129 . 1 1 1 A 23 23 ALA HA H 23 4.122 4.012 0.110 1
1 130 . 1 1 1 A 23 23 ALA C C 23 175.964 179.170 -3.206 1
1 131 . 1 1 1 A 23 23 ALA CA C 23 55.316 55.512 -0.196 1
1 132 . 1 1 1 A 23 23 ALA CB C 23 18.618 18.365 0.253 1
1 133 . 1 1 1 A 23 23 ALA N N 23 123.778 123.717 0.061 1
1 134 . 1 1 1 A 24 24 LYS H H 24 8.205 7.815 0.390 1
1 135 . 1 1 1 A 24 24 LYS HA H 24 3.975 3.929 0.046 1
1 136 . 1 1 1 A 24 24 LYS C C 24 178.579 178.258 0.321 1
1 137 . 1 1 1 A 24 24 LYS CA C 24 59.821 59.672 0.149 1
1 138 . 1 1 1 A 24 24 LYS CB C 24 32.287 32.268 0.019 1
1 139 . 1 1 1 A 24 24 LYS N N 24 116.572 118.414 -1.842 1
1 140 . 1 1 1 A 25 25 ASP H H 25 8.162 8.380 -0.218 1
1 141 . 1 1 1 A 25 25 ASP HA H 25 4.633 4.312 0.321 1
1 142 . 1 1 1 A 25 25 ASP C C 25 178.849 178.870 -0.021 1
1 143 . 1 1 1 A 25 25 ASP CA C 25 56.667 57.438 -0.771 1
1 144 . 1 1 1 A 25 25 ASP CB C 25 39.431 40.251 -0.820 1
1 145 . 1 1 1 A 25 25 ASP N N 25 119.217 118.491 0.726 1
1 146 . 1 1 1 A 26 26 ALA H H 26 8.144 8.266 -0.122 1
1 147 . 1 1 1 A 26 26 ALA HA H 26 4.297 4.127 0.170 1
1 148 . 1 1 1 A 26 26 ALA C C 26 175.378 180.214 -4.836 1
1 149 . 1 1 1 A 26 26 ALA CA C 26 54.877 54.942 -0.065 1
1 150 . 1 1 1 A 26 26 ALA CB C 26 18.648 18.102 0.546 1
1 151 . 1 1 1 A 26 26 ALA N N 26 123.402 122.683 0.719 1
1 152 . 1 1 1 A 27 27 LEU H H 27 8.203 9.619 -1.416 1
1 153 . 1 1 1 A 27 27 LEU HA H 27 4.149 4.081 0.068 1
1 154 . 1 1 1 A 27 27 LEU C C 27 179.408 178.528 0.880 1
1 155 . 1 1 1 A 27 27 LEU CA C 27 57.457 57.252 0.205 1
1 156 . 1 1 1 A 27 27 LEU CB C 27 41.794 41.487 0.307 1
1 157 . 1 1 1 A 27 27 LEU N N 27 117.567 120.450 -2.883 1
1 158 . 1 1 1 A 28 28 SER H H 28 8.010 8.424 -0.414 1
1 159 . 1 1 1 A 28 28 SER HA H 28 4.348 4.207 0.141 1
1 160 . 1 1 1 A 28 28 SER C C 28 178.515 176.004 2.511 1
1 161 . 1 1 1 A 28 28 SER CA C 28 61.275 61.948 -0.673 1
1 162 . 1 1 1 A 28 28 SER CB C 28 63.339 62.997 0.342 1
1 163 . 1 1 1 A 28 28 SER N N 28 113.313 117.006 -3.693 1
1 164 . 1 1 1 A 29 29 SER H H 29 7.899 7.537 0.362 1
1 165 . 1 1 1 A 29 29 SER HA H 29 4.483 4.386 0.097 1
1 166 . 1 1 1 A 29 29 SER C C 29 176.227 175.638 0.589 1
1 167 . 1 1 1 A 29 29 SER CA C 29 60.684 59.788 0.896 1
1 168 . 1 1 1 A 29 29 SER CB C 29 63.720 62.702 1.018 1
1 169 . 1 1 1 A 29 29 SER N N 29 116.193 116.394 -0.201 1
1 170 . 1 1 1 A 30 30 VAL H H 30 7.832 8.121 -0.289 1
1 171 . 1 1 1 A 30 30 VAL HA H 30 4.131 3.857 0.274 1
1 172 . 1 1 1 A 30 30 VAL C C 30 175.982 176.724 -0.742 1
1 173 . 1 1 1 A 30 30 VAL CA C 30 64.518 64.401 0.117 1
1 174 . 1 1 1 A 30 30 VAL CB C 30 32.102 31.520 0.582 1
1 175 . 1 1 1 A 30 30 VAL N N 30 120.035 119.413 0.622 1
1 176 . 1 1 1 A 31 31 GLN H H 31 8.252 8.180 0.072 1
1 177 . 1 1 1 A 31 31 GLN HA H 31 4.222 4.039 0.183 1
1 178 . 1 1 1 A 31 31 GLN C C 31 177.403 177.648 -0.245 1
1 179 . 1 1 1 A 31 31 GLN CA C 31 57.904 58.297 -0.393 1
1 180 . 1 1 1 A 31 31 GLN CB C 31 29.119 28.807 0.312 1
1 181 . 1 1 1 A 31 31 GLN N N 31 120.710 121.697 -0.987 1
1 182 . 1 1 1 A 32 32 GLU H H 32 8.049 8.057 -0.008 1
1 183 . 1 1 1 A 32 32 GLU HA H 32 4.320 4.303 0.017 1
1 184 . 1 1 1 A 32 32 GLU C C 32 176.734 178.356 -1.622 1
1 185 . 1 1 1 A 32 32 GLU CA C 32 57.116 58.550 -1.434 1
1 186 . 1 1 1 A 32 32 GLU CB C 32 28.505 29.192 -0.687 1
1 187 . 1 1 1 A 32 32 GLU N N 32 117.872 118.624 -0.752 1
1 188 . 1 1 1 A 33 33 SER H H 33 7.973 9.383 -1.410 1
1 189 . 1 1 1 A 33 33 SER HA H 33 4.454 4.217 0.237 1
1 190 . 1 1 1 A 33 33 SER C C 33 176.505 176.408 0.097 1
1 191 . 1 1 1 A 33 33 SER CA C 33 59.379 61.461 -2.082 1
1 192 . 1 1 1 A 33 33 SER CB C 33 64.359 63.062 1.297 1
1 193 . 1 1 1 A 33 33 SER N N 33 115.021 116.321 -1.300 1
1 194 . 1 1 1 A 34 34 GLN H H 34 8.379 7.863 0.516 1
1 195 . 1 1 1 A 34 34 GLN HA H 34 4.249 4.052 0.197 1
1 196 . 1 1 1 A 34 34 GLN C C 34 175.446 178.776 -3.330 1
1 197 . 1 1 1 A 34 34 GLN CA C 34 58.287 58.302 -0.015 1
1 198 . 1 1 1 A 34 34 GLN CB C 34 28.507 28.169 0.338 1
1 199 . 1 1 1 A 34 34 GLN N N 34 121.821 120.342 1.479 1
1 200 . 1 1 1 A 35 35 VAL H H 35 7.885 7.860 0.025 1
1 201 . 1 1 1 A 35 35 VAL HA H 35 3.890 3.791 0.099 1
1 202 . 1 1 1 A 35 35 VAL C C 35 178.220 177.027 1.193 1
1 203 . 1 1 1 A 35 35 VAL CA C 35 65.572 64.587 0.985 1
1 204 . 1 1 1 A 35 35 VAL CB C 35 31.809 31.546 0.263 1
1 205 . 1 1 1 A 35 35 VAL N N 35 118.193 119.584 -1.391 1
1 206 . 1 1 1 A 36 36 ALA H H 36 7.941 7.872 0.069 1
1 207 . 1 1 1 A 36 36 ALA HA H 36 4.017 4.022 -0.005 1
1 208 . 1 1 1 A 36 36 ALA C C 36 175.366 180.409 -5.043 1
1 209 . 1 1 1 A 36 36 ALA CA C 36 55.299 55.510 -0.211 1
1 210 . 1 1 1 A 36 36 ALA CB C 36 18.710 18.591 0.119 1
1 211 . 1 1 1 A 36 36 ALA N N 36 121.942 124.065 -2.123 1
1 212 . 1 1 1 A 37 37 GLN H H 37 7.771 7.728 0.043 1
1 213 . 1 1 1 A 37 37 GLN HA H 37 4.072 3.975 0.097 1
1 214 . 1 1 1 A 37 37 GLN C C 37 179.036 178.414 0.622 1
1 215 . 1 1 1 A 37 37 GLN CA C 37 58.656 59.096 -0.440 1
1 216 . 1 1 1 A 37 37 GLN CB C 37 28.583 28.226 0.357 1
1 217 . 1 1 1 A 37 37 GLN N N 37 115.154 117.451 -2.297 1
1 218 . 1 1 1 A 38 38 GLN H H 38 8.057 7.877 0.180 1
1 219 . 1 1 1 A 38 38 GLN HA H 38 4.161 3.939 0.222 1
1 220 . 1 1 1 A 38 38 GLN C C 38 178.965 177.625 1.340 1
1 221 . 1 1 1 A 38 38 GLN CA C 38 57.879 58.788 -0.909 1
1 222 . 1 1 1 A 38 38 GLN CB C 38 28.936 29.079 -0.143 1
1 223 . 1 1 1 A 38 38 GLN N N 38 119.273 119.668 -0.395 1
1 224 . 1 1 1 A 39 39 ALA H H 39 8.226 8.271 -0.045 1
1 225 . 1 1 1 A 39 39 ALA HA H 39 3.878 4.290 -0.412 1
1 226 . 1 1 1 A 39 39 ALA C C 39 178.002 179.556 -1.554 1
1 227 . 1 1 1 A 39 39 ALA CA C 39 54.780 55.090 -0.310 1
1 228 . 1 1 1 A 39 39 ALA CB C 39 18.626 18.597 0.029 1
1 229 . 1 1 1 A 39 39 ALA N N 39 121.849 121.458 0.391 1
1 230 . 1 1 1 A 40 40 ARG H H 40 8.078 8.722 -0.644 1
1 231 . 1 1 1 A 40 40 ARG HA H 40 4.519 3.997 0.522 1
1 232 . 1 1 1 A 40 40 ARG C C 40 178.581 178.743 -0.162 1
1 233 . 1 1 1 A 40 40 ARG CA C 40 59.438 59.381 0.057 1
1 234 . 1 1 1 A 40 40 ARG CB C 40 30.064 30.360 -0.296 1
1 235 . 1 1 1 A 40 40 ARG N N 40 116.166 118.987 -2.821 1
1 236 . 1 1 1 A 41 41 GLY H H 41 7.962 8.864 -0.902 1
1 237 . 1 1 1 A 41 41 GLY HA2 H 41 3.965 3.484 0.481 1
1 238 . 1 1 1 A 41 41 GLY C C 41 178.678 175.905 2.773 1
1 239 . 1 1 1 A 41 41 GLY CA C 41 46.734 47.172 -0.438 1
1 240 . 1 1 1 A 41 41 GLY N N 41 106.758 106.553 0.205 1
1 241 . 1 1 1 A 42 42 TRP H H 42 7.941 7.564 0.377 1
1 242 . 1 1 1 A 42 42 TRP HA H 42 4.027 4.602 -0.575 1
1 243 . 1 1 1 A 42 42 TRP C C 42 176.967 178.598 -1.631 1
1 244 . 1 1 1 A 42 42 TRP CA C 42 59.749 59.856 -0.107 1
1 245 . 1 1 1 A 42 42 TRP CB C 42 29.555 29.232 0.323 1
1 246 . 1 1 1 A 42 42 TRP N N 42 121.942 122.428 -0.486 1
1 247 . 1 1 1 A 43 43 VAL H H 43 8.025 7.969 0.056 1
1 248 . 1 1 1 A 43 43 VAL HA H 43 3.848 3.742 0.106 1
1 249 . 1 1 1 A 43 43 VAL C C 43 178.333 177.774 0.559 1
1 250 . 1 1 1 A 43 43 VAL CA C 43 65.233 65.323 -0.090 1
1 251 . 1 1 1 A 43 43 VAL CB C 43 32.013 31.353 0.660 1
1 252 . 1 1 1 A 43 43 VAL N N 43 116.325 119.738 -3.413 1
1 253 . 1 1 1 A 44 44 THR H H 44 7.969 8.287 -0.318 1
1 254 . 1 1 1 A 44 44 THR HA H 44 4.239 4.092 0.147 1
1 255 . 1 1 1 A 44 44 THR C C 44 177.224 176.205 1.019 1
1 256 . 1 1 1 A 44 44 THR CA C 44 65.189 66.121 -0.932 1
1 257 . 1 1 1 A 44 44 THR CB C 44 69.255 68.283 0.972 1
1 258 . 1 1 1 A 44 44 THR N N 44 113.656 114.374 -0.718 1
1 259 . 1 1 1 A 45 45 ASP H H 45 8.195 7.985 0.210 1
1 260 . 1 1 1 A 45 45 ASP HA H 45 4.759 4.715 0.044 1
1 261 . 1 1 1 A 45 45 ASP C C 45 176.240 176.157 0.083 1
1 262 . 1 1 1 A 45 45 ASP CA C 45 55.102 54.243 0.859 1
1 263 . 1 1 1 A 45 45 ASP CB C 45 39.325 41.300 -1.975 1
1 264 . 1 1 1 A 45 45 ASP N N 45 120.741 119.498 1.243 1
1 265 . 1 1 1 A 46 46 GLY H H 46 8.193 8.060 0.133 1
1 266 . 1 1 1 A 46 46 GLY HA2 H 46 3.809 4.011 -0.202 1
1 267 . 1 1 1 A 46 46 GLY C C 46 177.272 175.539 1.733 1
1 268 . 1 1 1 A 46 46 GLY CA C 46 46.513 47.054 -0.541 1
1 269 . 1 1 1 A 46 46 GLY N N 46 108.690 107.973 0.717 1
1 270 . 1 1 1 A 47 47 PHE H H 47 8.371 8.355 0.016 1
1 271 . 1 1 1 A 47 47 PHE HA H 47 4.448 4.253 0.195 1
1 272 . 1 1 1 A 47 47 PHE C C 47 174.681 177.550 -2.869 1
1 273 . 1 1 1 A 47 47 PHE CA C 47 60.145 60.270 -0.125 1
1 274 . 1 1 1 A 47 47 PHE CB C 47 38.825 37.895 0.930 1
1 275 . 1 1 1 A 47 47 PHE N N 47 119.504 120.406 -0.902 1
1 276 . 1 1 1 A 48 48 SER H H 48 8.160 7.875 0.285 1
1 277 . 1 1 1 A 48 48 SER HA H 48 4.195 3.431 0.764 1
1 278 . 1 1 1 A 48 48 SER C C 48 177.055 176.928 0.127 1
1 279 . 1 1 1 A 48 48 SER CA C 48 61.834 61.604 0.230 1
1 280 . 1 1 1 A 48 48 SER CB C 48 63.181 62.932 0.249 1
1 281 . 1 1 1 A 48 48 SER N N 48 113.986 117.309 -3.323 1
1 282 . 1 1 1 A 49 49 SER H H 49 8.050 8.498 -0.448 1
1 283 . 1 1 1 A 49 49 SER HA H 49 4.454 4.296 0.158 1
1 284 . 1 1 1 A 49 49 SER C C 49 176.526 176.040 0.486 1
1 285 . 1 1 1 A 49 49 SER CA C 49 61.217 60.691 0.526 1
1 286 . 1 1 1 A 49 49 SER CB C 49 63.302 62.874 0.428 1
1 287 . 1 1 1 A 49 49 SER N N 49 116.779 115.672 1.107 1
1 288 . 1 1 1 A 50 50 LEU H H 50 8.003 7.882 0.121 1
1 289 . 1 1 1 A 50 50 LEU HA H 50 4.293 4.151 0.142 1
1 290 . 1 1 1 A 50 50 LEU C C 50 175.754 178.991 -3.237 1
1 291 . 1 1 1 A 50 50 LEU CA C 50 58.134 56.645 1.489 1
1 292 . 1 1 1 A 50 50 LEU CB C 50 41.976 41.813 0.163 1
1 293 . 1 1 1 A 50 50 LEU N N 50 122.176 120.988 1.188 1
1 294 . 1 1 1 A 51 51 LYS H H 51 8.091 8.716 -0.625 1
1 295 . 1 1 1 A 51 51 LYS HA H 51 4.072 4.165 -0.093 1
1 296 . 1 1 1 A 51 51 LYS C C 51 178.459 178.106 0.353 1
1 297 . 1 1 1 A 51 51 LYS CA C 51 60.375 59.731 0.644 1
1 298 . 1 1 1 A 51 51 LYS CB C 51 32.156 32.339 -0.183 1
1 299 . 1 1 1 A 51 51 LYS N N 51 117.526 120.795 -3.269 1
1 300 . 1 1 1 A 52 52 ASP H H 52 7.915 8.450 -0.535 1
1 301 . 1 1 1 A 52 52 ASP HA H 52 4.594 4.416 0.178 1
1 302 . 1 1 1 A 52 52 ASP C C 52 178.854 178.301 0.553 1
1 303 . 1 1 1 A 52 52 ASP CA C 52 56.696 56.844 -0.148 1
1 304 . 1 1 1 A 52 52 ASP CB C 52 39.194 40.135 -0.941 1
1 305 . 1 1 1 A 52 52 ASP N N 52 119.070 117.913 1.157 1
1 306 . 1 1 1 A 53 53 TYR H H 53 8.144 8.099 0.045 1
1 307 . 1 1 1 A 53 53 TYR HA H 53 4.630 4.418 0.212 1
1 308 . 1 1 1 A 53 53 TYR C C 53 178.269 177.402 0.867 1
1 309 . 1 1 1 A 53 53 TYR CA C 53 60.692 61.486 -0.794 1
1 310 . 1 1 1 A 53 53 TYR CB C 53 38.569 38.333 0.236 1
1 311 . 1 1 1 A 53 53 TYR N N 53 120.243 120.959 -0.716 1
1 312 . 1 1 1 A 54 54 TRP H H 54 8.591 9.442 -0.851 1
1 313 . 1 1 1 A 54 54 TRP HA H 54 4.494 4.133 0.361 1
1 314 . 1 1 1 A 54 54 TRP C C 54 178.007 178.245 -0.238 1
1 315 . 1 1 1 A 54 54 TRP CA C 54 59.747 61.081 -1.334 1
1 316 . 1 1 1 A 54 54 TRP CB C 54 30.447 29.714 0.733 1
1 317 . 1 1 1 A 54 54 TRP N N 54 120.624 121.720 -1.096 1
1 318 . 1 1 1 A 55 55 SER H H 55 8.223 10.054 -1.831 1
1 319 . 1 1 1 A 55 55 SER HA H 55 3.906 3.555 0.351 1
1 320 . 1 1 1 A 55 55 SER C C 55 176.913 176.064 0.849 1
1 321 . 1 1 1 A 55 55 SER CA C 55 62.150 60.950 1.200 1
1 322 . 1 1 1 A 55 55 SER CB C 55 63.019 63.048 -0.029 1
1 323 . 1 1 1 A 55 55 SER N N 55 112.199 113.609 -1.410 1
1 324 . 1 1 1 A 56 56 THR H H 56 7.689 7.761 -0.072 1
1 325 . 1 1 1 A 56 56 THR HA H 56 4.104 3.933 0.171 1
1 326 . 1 1 1 A 56 56 THR C C 56 176.440 176.233 0.207 1
1 327 . 1 1 1 A 56 56 THR CA C 56 66.346 65.014 1.332 1
1 328 . 1 1 1 A 56 56 THR CB C 56 68.858 68.438 0.420 1
1 329 . 1 1 1 A 56 56 THR N N 56 117.331 115.243 2.088 1
1 330 . 1 1 1 A 57 57 VAL H H 57 7.960 7.499 0.461 1
1 331 . 1 1 1 A 57 57 VAL HA H 57 3.623 3.430 0.193 1
1 332 . 1 1 1 A 57 57 VAL C C 57 176.128 177.846 -1.718 1
1 333 . 1 1 1 A 57 57 VAL CA C 57 66.489 66.637 -0.148 1
1 334 . 1 1 1 A 57 57 VAL CB C 57 31.829 31.290 0.539 1
1 335 . 1 1 1 A 57 57 VAL N N 57 121.777 121.819 -0.042 1
1 336 . 1 1 1 A 58 58 LYS H H 58 8.100 7.809 0.291 1
1 337 . 1 1 1 A 58 58 LYS HA H 58 3.554 3.832 -0.278 1
1 338 . 1 1 1 A 58 58 LYS C C 58 177.265 178.181 -0.916 1
1 339 . 1 1 1 A 58 58 LYS CA C 58 60.174 59.719 0.455 1
1 340 . 1 1 1 A 58 58 LYS CB C 58 31.373 31.961 -0.588 1
1 341 . 1 1 1 A 58 58 LYS N N 58 119.262 119.804 -0.542 1
1 342 . 1 1 1 A 59 59 ASP H H 59 7.826 7.545 0.281 1
1 343 . 1 1 1 A 59 59 ASP HA H 59 4.473 4.216 0.257 1
1 344 . 1 1 1 A 59 59 ASP C C 59 178.762 178.978 -0.216 1
1 345 . 1 1 1 A 59 59 ASP CA C 59 56.562 57.499 -0.937 1
1 346 . 1 1 1 A 59 59 ASP CB C 59 39.446 41.872 -2.426 1
1 347 . 1 1 1 A 59 59 ASP N N 59 117.771 119.209 -1.438 1
1 348 . 1 1 1 A 60 60 LYS H H 60 8.052 9.542 -1.490 1
1 349 . 1 1 1 A 60 60 LYS HA H 60 4.141 4.179 -0.038 1
1 350 . 1 1 1 A 60 60 LYS C C 60 178.220 179.141 -0.921 1
1 351 . 1 1 1 A 60 60 LYS CA C 60 58.383 58.297 0.086 1
1 352 . 1 1 1 A 60 60 LYS CB C 60 32.095 31.866 0.229 1
1 353 . 1 1 1 A 60 60 LYS N N 60 119.850 118.711 1.139 1
1 354 . 1 1 1 A 61 61 PHE H H 61 8.301 8.287 0.014 1
1 355 . 1 1 1 A 61 61 PHE HA H 61 4.337 4.207 0.130 1
1 356 . 1 1 1 A 61 61 PHE C C 61 178.462 177.866 0.596 1
1 357 . 1 1 1 A 61 61 PHE CA C 61 60.780 61.196 -0.416 1
1 358 . 1 1 1 A 61 61 PHE CB C 61 39.194 39.430 -0.236 1
1 359 . 1 1 1 A 61 61 PHE N N 61 118.056 121.827 -3.771 1
1 360 . 1 1 1 A 62 62 SER H H 62 8.160 8.157 0.003 1
1 361 . 1 1 1 A 62 62 SER HA H 62 4.229 4.169 0.060 1
1 362 . 1 1 1 A 62 62 SER C C 62 177.060 177.267 -0.207 1
1 363 . 1 1 1 A 62 62 SER CA C 62 61.546 61.748 -0.202 1
1 364 . 1 1 1 A 62 62 SER CB C 62 63.368 63.042 0.326 1
1 365 . 1 1 1 A 62 62 SER N N 62 113.635 114.061 -0.426 1
1 366 . 1 1 1 A 63 63 GLU H H 63 7.847 8.106 -0.259 1
1 367 . 1 1 1 A 63 63 GLU HA H 63 4.200 4.216 -0.016 1
1 368 . 1 1 1 A 63 63 GLU C C 63 175.917 179.148 -3.231 1
1 369 . 1 1 1 A 63 63 GLU CA C 63 57.833 58.619 -0.786 1
1 370 . 1 1 1 A 63 63 GLU CB C 63 28.314 29.424 -1.110 1
1 371 . 1 1 1 A 63 63 GLU N N 63 119.485 120.807 -1.322 1
1 372 . 1 1 1 A 64 64 PHE H H 64 7.792 8.634 -0.842 1
1 373 . 1 1 1 A 64 64 PHE HA H 64 4.448 4.122 0.326 1
1 374 . 1 1 1 A 64 64 PHE C C 64 177.370 177.704 -0.334 1
1 375 . 1 1 1 A 64 64 PHE CA C 64 59.714 60.393 -0.679 1
1 376 . 1 1 1 A 64 64 PHE CB C 64 39.825 39.334 0.491 1
1 377 . 1 1 1 A 64 64 PHE N N 64 118.506 121.517 -3.011 1
1 378 . 1 1 1 A 65 65 TRP H H 65 7.776 7.814 -0.038 1
1 379 . 1 1 1 A 65 65 TRP HA H 65 4.524 4.008 0.516 1
1 380 . 1 1 1 A 65 65 TRP C C 65 175.868 176.266 -0.398 1
1 381 . 1 1 1 A 65 65 TRP CA C 65 57.472 60.265 -2.793 1
1 382 . 1 1 1 A 65 65 TRP CB C 65 30.031 29.869 0.162 1
1 383 . 1 1 1 A 65 65 TRP N N 65 118.247 120.930 -2.683 1
1 384 . 1 1 1 A 66 66 ASP H H 66 7.832 7.635 0.197 1
1 385 . 1 1 1 A 66 66 ASP HA H 66 4.708 4.615 0.093 1
1 386 . 1 1 1 A 66 66 ASP C C 66 175.345 175.603 -0.258 1
1 387 . 1 1 1 A 66 66 ASP CA C 66 53.378 53.337 0.041 1
1 388 . 1 1 1 A 66 66 ASP CB C 66 38.672 42.236 -3.564 1
1 389 . 1 1 1 A 66 66 ASP N N 66 119.198 119.105 0.093 1
1 390 . 1 1 1 A 67 67 LEU H H 67 7.877 8.475 -0.598 1
1 391 . 1 1 1 A 67 67 LEU HA H 67 4.346 4.551 -0.205 1
1 392 . 1 1 1 A 67 67 LEU C C 67 175.060 176.416 -1.356 1
1 393 . 1 1 1 A 67 67 LEU CA C 67 55.458 53.873 1.585 1
1 394 . 1 1 1 A 67 67 LEU CB C 67 42.444 42.540 -0.096 1
1 395 . 1 1 1 A 67 67 LEU N N 67 121.856 126.314 -4.458 1
1 396 . 1 1 1 A 68 68 ASP H H 68 7.939 8.289 -0.350 1
1 397 . 1 1 1 A 68 68 ASP HA H 68 4.571 4.708 -0.137 1
1 398 . 1 1 1 A 68 68 ASP C C 68 176.528 176.153 0.375 1
1 399 . 1 1 1 A 68 68 ASP CA C 68 54.086 52.750 1.336 1
1 400 . 1 1 1 A 68 68 ASP CB C 68 40.423 40.310 0.113 1
1 401 . 1 1 1 A 68 68 ASP N N 68 122.966 120.407 2.559 1
1 402 . 1 1 1 A 69 69 PRO CA C 69 62.556 64.278 -1.722 1
1 403 . 1 1 1 A 69 69 PRO CB C 69 32.514 31.977 0.537 1
1 404 . 1 1 1 A 70 70 GLU H H 70 8.627 7.889 0.738 1
1 405 . 1 1 1 A 70 70 GLU HA H 70 4.532 4.792 -0.260 1
1 406 . 1 1 1 A 70 70 GLU C C 70 172.210 174.567 -2.357 1
1 407 . 1 1 1 A 70 70 GLU CA C 70 56.488 54.380 2.108 1
1 408 . 1 1 1 A 70 70 GLU CB C 70 29.544 31.754 -2.210 1
1 409 . 1 1 1 A 70 70 GLU N N 70 120.105 113.633 6.472 1
1 410 . 1 1 1 A 71 71 VAL H H 71 7.826 8.890 -1.064 1
1 411 . 1 1 1 A 71 71 VAL HA H 71 4.210 4.315 -0.105 1
1 412 . 1 1 1 A 71 71 VAL C C 71 175.329 175.595 -0.266 1
1 413 . 1 1 1 A 71 71 VAL CA C 71 61.895 61.830 0.065 1
1 414 . 1 1 1 A 71 71 VAL CB C 71 33.096 30.954 2.142 1
1 415 . 1 1 1 A 71 71 VAL N N 71 119.356 126.297 -6.941 1
1 416 . 1 1 1 A 72 72 ARG H H 72 8.103 8.206 -0.103 1
1 417 . 1 1 1 A 72 72 ARG HA H 72 4.757 4.774 -0.017 1
1 418 . 1 1 1 A 72 72 ARG C C 72 174.732 175.653 -0.921 1
1 419 . 1 1 1 A 72 72 ARG CA C 72 53.719 52.814 0.905 1
1 420 . 1 1 1 A 72 72 ARG CB C 72 30.795 31.413 -0.618 1
1 421 . 1 1 1 A 72 72 ARG N N 72 122.861 127.695 -4.834 1
1 422 . 1 1 1 A 73 73 PRO CA C 73 64.693 64.323 0.370 1
1 423 . 1 1 1 A 73 73 PRO CB C 73 31.605 31.854 -0.249 1
1 424 . 1 1 1 A 74 74 THR H H 74 7.959 7.556 0.403 1
1 425 . 1 1 1 A 74 74 THR HA H 74 4.131 4.000 0.131 1
1 426 . 1 1 1 A 74 74 THR C C 74 176.913 175.752 1.161 1
1 427 . 1 1 1 A 74 74 THR CA C 74 64.309 65.328 -1.019 1
1 428 . 1 1 1 A 74 74 THR CB C 74 69.160 68.896 0.264 1
1 429 . 1 1 1 A 74 74 THR N N 74 110.152 112.351 -2.199 1
1 430 . 1 1 1 A 75 75 SER H H 75 7.997 8.235 -0.238 1
1 431 . 1 1 1 A 75 75 SER HA H 75 4.483 4.020 0.463 1
1 432 . 1 1 1 A 75 75 SER C C 75 176.093 177.057 -0.964 1
1 433 . 1 1 1 A 75 75 SER CA C 75 60.300 61.550 -1.250 1
1 434 . 1 1 1 A 75 75 SER CB C 75 63.327 62.955 0.372 1
1 435 . 1 1 1 A 75 75 SER N N 75 117.147 115.119 2.028 1
1 436 . 1 1 1 A 76 76 ALA H H 76 8.109 7.509 0.600 1
1 437 . 1 1 1 A 76 76 ALA HA H 76 4.219 4.088 0.131 1
1 438 . 1 1 1 A 76 76 ALA C C 76 175.737 180.112 -4.375 1
1 439 . 1 1 1 A 76 76 ALA CA C 76 54.932 55.332 -0.400 1
1 440 . 1 1 1 A 76 76 ALA CB C 76 18.773 18.654 0.119 1
1 441 . 1 1 1 A 76 76 ALA N N 76 124.803 123.526 1.277 1
1 442 . 1 1 1 A 77 77 VAL H H 77 7.798 8.119 -0.321 1
1 443 . 1 1 1 A 77 77 VAL HA H 77 3.682 3.484 0.198 1
1 444 . 1 1 1 A 77 77 VAL C C 77 178.536 178.200 0.336 1
1 445 . 1 1 1 A 77 77 VAL CA C 77 66.335 66.495 -0.160 1
1 446 . 1 1 1 A 77 77 VAL CB C 77 31.744 31.630 0.114 1
1 447 . 1 1 1 A 77 77 VAL N N 77 115.730 117.874 -2.144 1
1 448 . 1 1 1 A 78 78 ALA H H 78 7.832 8.152 -0.320 1
1 449 . 1 1 1 A 78 78 ALA HA H 78 4.115 4.197 -0.082 1
1 450 . 1 1 1 A 78 78 ALA C C 78 177.362 177.562 -0.200 1
1 451 . 1 1 1 A 78 78 ALA CA C 78 54.902 53.662 1.240 1
1 452 . 1 1 1 A 78 78 ALA CB C 78 18.311 18.644 -0.333 1
1 453 . 1 1 1 A 78 78 ALA N N 78 121.924 120.968 0.956 1
1 3 . 2 1 1 A 2 2 GLU H H 2 8.776 8.329 0.447 1
1 4 . 2 1 1 A 2 2 GLU HA H 2 4.415 4.832 -0.417 1
1 5 . 2 1 1 A 2 2 GLU C C 2 171.203 174.462 -3.259 1
1 6 . 2 1 1 A 2 2 GLU CA C 2 56.971 55.000 1.971 1
1 7 . 2 1 1 A 2 2 GLU CB C 2 29.269 32.640 -3.371 1
1 8 . 2 1 1 A 2 2 GLU N N 2 121.323 123.191 -1.868 1
1 9 . 2 1 1 A 3 3 ALA H H 3 8.283 8.591 -0.308 1
1 10 . 2 1 1 A 3 3 ALA HA H 3 4.317 4.336 -0.019 1
1 11 . 2 1 1 A 3 3 ALA C C 3 176.007 178.128 -2.121 1
1 12 . 2 1 1 A 3 3 ALA CA C 3 53.244 52.402 0.842 1
1 13 . 2 1 1 A 3 3 ALA CB C 3 19.153 18.775 0.378 1
1 14 . 2 1 1 A 3 3 ALA N N 3 123.378 123.977 -0.599 1
1 15 . 2 1 1 A 4 4 GLU H H 4 8.109 8.913 -0.804 1
1 16 . 2 1 1 A 4 4 GLU HA H 4 4.366 4.193 0.173 1
1 17 . 2 1 1 A 4 4 GLU C C 4 177.975 178.329 -0.354 1
1 18 . 2 1 1 A 4 4 GLU CA C 4 56.850 58.817 -1.967 1
1 19 . 2 1 1 A 4 4 GLU CB C 4 29.078 29.303 -0.225 1
1 20 . 2 1 1 A 4 4 GLU N N 4 118.121 125.057 -6.936 1
1 21 . 2 1 1 A 5 5 ASP H H 5 8.201 7.979 0.222 1
1 22 . 2 1 1 A 5 5 ASP HA H 5 4.659 4.389 0.270 1
1 23 . 2 1 1 A 5 5 ASP C C 5 176.393 177.849 -1.456 1
1 24 . 2 1 1 A 5 5 ASP CA C 5 54.166 57.162 -2.996 1
1 25 . 2 1 1 A 5 5 ASP CB C 5 39.422 40.213 -0.791 1
1 26 . 2 1 1 A 5 5 ASP N N 5 119.089 118.541 0.548 1
1 27 . 2 1 1 A 6 6 ALA H H 6 8.045 7.258 0.787 1
1 28 . 2 1 1 A 6 6 ALA HA H 6 4.376 4.194 0.182 1
1 29 . 2 1 1 A 6 6 ALA C C 6 175.403 177.271 -1.868 1
1 30 . 2 1 1 A 6 6 ALA CA C 6 53.166 52.732 0.434 1
1 31 . 2 1 1 A 6 6 ALA CB C 6 19.232 18.828 0.404 1
1 32 . 2 1 1 A 6 6 ALA N N 6 123.242 122.921 0.321 1
1 33 . 2 1 1 A 7 7 SER H H 7 8.168 8.625 -0.457 1
1 34 . 2 1 1 A 7 7 SER HA H 7 4.543 4.885 -0.342 1
1 35 . 2 1 1 A 7 7 SER C C 7 177.957 176.141 1.816 1
1 36 . 2 1 1 A 7 7 SER CA C 7 59.090 57.581 1.509 1
1 37 . 2 1 1 A 7 7 SER CB C 7 64.084 65.421 -1.337 1
1 38 . 2 1 1 A 7 7 SER N N 7 115.046 118.920 -3.874 1
1 39 . 2 1 1 A 8 8 LEU H H 8 8.410 8.907 -0.497 1
1 40 . 2 1 1 A 8 8 LEU HA H 8 4.297 4.238 0.059 1
1 41 . 2 1 1 A 8 8 LEU C C 8 175.818 177.935 -2.117 1
1 42 . 2 1 1 A 8 8 LEU CA C 8 58.225 56.747 1.478 1
1 43 . 2 1 1 A 8 8 LEU CB C 8 42.057 41.554 0.503 1
1 44 . 2 1 1 A 8 8 LEU N N 8 124.101 121.764 2.337 1
1 45 . 2 1 1 A 9 9 LEU H H 9 8.007 7.735 0.272 1
1 46 . 2 1 1 A 9 9 LEU HA H 9 4.245 4.269 -0.024 1
1 47 . 2 1 1 A 9 9 LEU C C 9 178.573 179.024 -0.451 1
1 48 . 2 1 1 A 9 9 LEU CA C 9 57.976 55.815 2.161 1
1 49 . 2 1 1 A 9 9 LEU CB C 9 41.475 41.736 -0.261 1
1 50 . 2 1 1 A 9 9 LEU N N 9 117.546 118.780 -1.234 1
1 51 . 2 1 1 A 10 10 SER H H 10 7.979 8.432 -0.453 1
1 52 . 2 1 1 A 10 10 SER HA H 10 4.320 4.142 0.178 1
1 53 . 2 1 1 A 10 10 SER C C 10 178.812 176.930 1.882 1
1 54 . 2 1 1 A 10 10 SER CA C 10 61.538 61.117 0.421 1
1 55 . 2 1 1 A 10 10 SER CB C 10 62.776 62.366 0.410 1
1 56 . 2 1 1 A 10 10 SER N N 10 114.105 114.616 -0.511 1
1 57 . 2 1 1 A 11 11 PHE H H 11 8.046 8.236 -0.190 1
1 58 . 2 1 1 A 11 11 PHE HA H 11 4.439 4.393 0.046 1
1 59 . 2 1 1 A 11 11 PHE C C 11 177.370 178.117 -0.747 1
1 60 . 2 1 1 A 11 11 PHE CA C 11 60.823 60.617 0.206 1
1 61 . 2 1 1 A 11 11 PHE CB C 11 39.190 38.947 0.243 1
1 62 . 2 1 1 A 11 11 PHE N N 11 122.342 119.097 3.245 1
1 63 . 2 1 1 A 12 12 MET H H 12 8.260 8.321 -0.061 1
1 64 . 2 1 1 A 12 12 MET HA H 12 4.303 4.211 0.092 1
1 65 . 2 1 1 A 12 12 MET C C 12 177.760 178.962 -1.202 1
1 66 . 2 1 1 A 12 12 MET CA C 12 58.034 58.639 -0.605 1
1 67 . 2 1 1 A 12 12 MET CB C 12 32.703 32.848 -0.145 1
1 68 . 2 1 1 A 12 12 MET N N 12 118.124 117.629 0.495 1
1 69 . 2 1 1 A 13 13 GLN H H 13 8.371 8.317 0.054 1
1 70 . 2 1 1 A 13 13 GLN HA H 13 4.082 3.966 0.116 1
1 71 . 2 1 1 A 13 13 GLN C C 13 177.866 179.457 -1.591 1
1 72 . 2 1 1 A 13 13 GLN CA C 13 59.149 58.875 0.274 1
1 73 . 2 1 1 A 13 13 GLN CB C 13 28.792 28.381 0.411 1
1 74 . 2 1 1 A 13 13 GLN N N 13 118.154 119.649 -1.495 1
1 75 . 2 1 1 A 14 14 GLY H H 14 8.029 8.281 -0.252 1
1 76 . 2 1 1 A 14 14 GLY HA2 H 14 3.916 3.701 0.215 1
1 77 . 2 1 1 A 14 14 GLY C C 14 178.079 175.303 2.776 1
1 78 . 2 1 1 A 14 14 GLY CA C 14 46.795 47.209 -0.414 1
1 79 . 2 1 1 A 14 14 GLY N N 14 106.304 108.865 -2.561 1
1 80 . 2 1 1 A 15 15 TYR H H 15 7.950 8.629 -0.679 1
1 81 . 2 1 1 A 15 15 TYR HA H 15 4.307 4.165 0.142 1
1 82 . 2 1 1 A 15 15 TYR C C 15 175.811 177.483 -1.672 1
1 83 . 2 1 1 A 15 15 TYR CA C 15 61.112 61.622 -0.510 1
1 84 . 2 1 1 A 15 15 TYR CB C 15 39.251 38.737 0.514 1
1 85 . 2 1 1 A 15 15 TYR N N 15 121.528 123.581 -2.053 1
1 86 . 2 1 1 A 16 16 MET H H 16 8.199 8.317 -0.118 1
1 87 . 2 1 1 A 16 16 MET HA H 16 4.307 4.106 0.201 1
1 88 . 2 1 1 A 16 16 MET C C 16 177.685 178.478 -0.793 1
1 89 . 2 1 1 A 16 16 MET CA C 16 57.476 58.343 -0.867 1
1 90 . 2 1 1 A 16 16 MET CB C 16 32.342 31.560 0.782 1
1 91 . 2 1 1 A 16 16 MET N N 16 117.173 116.476 0.697 1
1 92 . 2 1 1 A 17 17 LYS H H 17 7.924 8.065 -0.141 1
1 93 . 2 1 1 A 17 17 LYS HA H 17 4.190 4.079 0.111 1
1 94 . 2 1 1 A 17 17 LYS C C 17 177.849 178.600 -0.751 1
1 95 . 2 1 1 A 17 17 LYS CA C 17 58.393 59.114 -0.721 1
1 96 . 2 1 1 A 17 17 LYS CB C 17 32.311 32.248 0.063 1
1 97 . 2 1 1 A 17 17 LYS N N 17 118.640 119.477 -0.837 1
1 98 . 2 1 1 A 18 18 HIS H H 18 7.889 8.471 -0.582 1
1 99 . 2 1 1 A 18 18 HIS HA H 18 4.542 4.175 0.367 1
1 100 . 2 1 1 A 18 18 HIS C C 18 177.796 177.085 0.711 1
1 101 . 2 1 1 A 18 18 HIS CA C 18 56.698 59.312 -2.614 1
1 102 . 2 1 1 A 18 18 HIS CB C 18 28.505 30.009 -1.504 1
1 103 . 2 1 1 A 18 18 HIS N N 18 116.031 120.225 -4.194 1
1 104 . 2 1 1 A 19 19 ALA H H 19 8.144 8.794 -0.650 1
1 105 . 2 1 1 A 19 19 ALA HA H 19 4.282 3.705 0.577 1
1 106 . 2 1 1 A 19 19 ALA C C 19 178.213 179.234 -1.021 1
1 107 . 2 1 1 A 19 19 ALA CA C 19 54.166 54.553 -0.387 1
1 108 . 2 1 1 A 19 19 ALA CB C 19 19.133 17.922 1.211 1
1 109 . 2 1 1 A 19 19 ALA N N 19 123.402 120.510 2.892 1
1 110 . 2 1 1 A 20 20 THR H H 20 8.186 7.289 0.897 1
1 111 . 2 1 1 A 20 20 THR HA H 20 4.128 3.939 0.189 1
1 112 . 2 1 1 A 20 20 THR C C 20 178.380 176.113 2.267 1
1 113 . 2 1 1 A 20 20 THR CA C 20 64.460 65.552 -1.092 1
1 114 . 2 1 1 A 20 20 THR CB C 20 69.213 68.546 0.667 1
1 115 . 2 1 1 A 20 20 THR N N 20 111.155 113.735 -2.580 1
1 116 . 2 1 1 A 21 21 LYS H H 21 7.715 8.569 -0.854 1
1 117 . 2 1 1 A 21 21 LYS HA H 21 4.349 3.958 0.391 1
1 118 . 2 1 1 A 21 21 LYS C C 21 175.517 179.314 -3.797 1
1 119 . 2 1 1 A 21 21 LYS CA C 21 58.000 58.864 -0.864 1
1 120 . 2 1 1 A 21 21 LYS CB C 21 32.848 31.703 1.145 1
1 121 . 2 1 1 A 21 21 LYS N N 21 121.662 121.452 0.210 1
1 122 . 2 1 1 A 22 22 THR H H 22 8.000 7.905 0.095 1
1 123 . 2 1 1 A 22 22 THR HA H 22 4.297 4.145 0.152 1
1 124 . 2 1 1 A 22 22 THR C C 22 177.240 176.655 0.585 1
1 125 . 2 1 1 A 22 22 THR CA C 22 64.040 64.514 -0.474 1
1 126 . 2 1 1 A 22 22 THR CB C 22 69.733 68.505 1.228 1
1 127 . 2 1 1 A 22 22 THR N N 22 113.812 113.908 -0.096 1
1 128 . 2 1 1 A 23 23 ALA H H 23 8.412 7.660 0.752 1
1 129 . 2 1 1 A 23 23 ALA HA H 23 4.122 4.008 0.114 1
1 130 . 2 1 1 A 23 23 ALA C C 23 175.964 179.175 -3.211 1
1 131 . 2 1 1 A 23 23 ALA CA C 23 55.316 55.458 -0.142 1
1 132 . 2 1 1 A 23 23 ALA CB C 23 18.618 18.296 0.322 1
1 133 . 2 1 1 A 23 23 ALA N N 23 123.778 125.974 -2.196 1
1 134 . 2 1 1 A 24 24 LYS H H 24 8.205 7.828 0.377 1
1 135 . 2 1 1 A 24 24 LYS HA H 24 3.975 3.927 0.048 1
1 136 . 2 1 1 A 24 24 LYS C C 24 178.579 178.238 0.341 1
1 137 . 2 1 1 A 24 24 LYS CA C 24 59.821 59.726 0.095 1
1 138 . 2 1 1 A 24 24 LYS CB C 24 32.287 32.357 -0.070 1
1 139 . 2 1 1 A 24 24 LYS N N 24 116.572 118.385 -1.813 1
1 140 . 2 1 1 A 25 25 ASP H H 25 8.162 8.392 -0.230 1
1 141 . 2 1 1 A 25 25 ASP HA H 25 4.633 4.307 0.326 1
1 142 . 2 1 1 A 25 25 ASP C C 25 178.849 178.886 -0.037 1
1 143 . 2 1 1 A 25 25 ASP CA C 25 56.667 57.406 -0.739 1
1 144 . 2 1 1 A 25 25 ASP CB C 25 39.431 40.189 -0.758 1
1 145 . 2 1 1 A 25 25 ASP N N 25 119.217 118.467 0.750 1
1 146 . 2 1 1 A 26 26 ALA H H 26 8.144 8.277 -0.133 1
1 147 . 2 1 1 A 26 26 ALA HA H 26 4.297 4.126 0.171 1
1 148 . 2 1 1 A 26 26 ALA C C 26 175.378 180.211 -4.833 1
1 149 . 2 1 1 A 26 26 ALA CA C 26 54.877 54.916 -0.039 1
1 150 . 2 1 1 A 26 26 ALA CB C 26 18.648 18.061 0.587 1
1 151 . 2 1 1 A 26 26 ALA N N 26 123.402 122.713 0.689 1
1 152 . 2 1 1 A 27 27 LEU H H 27 8.203 9.421 -1.218 1
1 153 . 2 1 1 A 27 27 LEU HA H 27 4.149 4.076 0.073 1
1 154 . 2 1 1 A 27 27 LEU C C 27 179.408 178.424 0.984 1
1 155 . 2 1 1 A 27 27 LEU CA C 27 57.457 57.303 0.154 1
1 156 . 2 1 1 A 27 27 LEU CB C 27 41.794 41.432 0.362 1
1 157 . 2 1 1 A 27 27 LEU N N 27 117.567 120.519 -2.952 1
1 158 . 2 1 1 A 28 28 SER H H 28 8.010 8.575 -0.565 1
1 159 . 2 1 1 A 28 28 SER HA H 28 4.348 4.293 0.055 1
1 160 . 2 1 1 A 28 28 SER C C 28 178.515 175.571 2.944 1
1 161 . 2 1 1 A 28 28 SER CA C 28 61.275 61.661 -0.386 1
1 162 . 2 1 1 A 28 28 SER CB C 28 63.339 62.878 0.461 1
1 163 . 2 1 1 A 28 28 SER N N 28 113.313 114.562 -1.249 1
1 164 . 2 1 1 A 29 29 SER H H 29 7.899 8.357 -0.458 1
1 165 . 2 1 1 A 29 29 SER HA H 29 4.483 4.451 0.032 1
1 166 . 2 1 1 A 29 29 SER C C 29 176.227 175.959 0.268 1
1 167 . 2 1 1 A 29 29 SER CA C 29 60.684 60.157 0.527 1
1 168 . 2 1 1 A 29 29 SER CB C 29 63.720 63.299 0.421 1
1 169 . 2 1 1 A 29 29 SER N N 29 116.193 116.312 -0.119 1
1 170 . 2 1 1 A 30 30 VAL H H 30 7.832 8.019 -0.187 1
1 171 . 2 1 1 A 30 30 VAL HA H 30 4.131 3.965 0.166 1
1 172 . 2 1 1 A 30 30 VAL C C 30 175.982 176.887 -0.905 1
1 173 . 2 1 1 A 30 30 VAL CA C 30 64.518 64.298 0.220 1
1 174 . 2 1 1 A 30 30 VAL CB C 30 32.102 31.595 0.507 1
1 175 . 2 1 1 A 30 30 VAL N N 30 120.035 120.961 -0.926 1
1 176 . 2 1 1 A 31 31 GLN H H 31 8.252 8.182 0.070 1
1 177 . 2 1 1 A 31 31 GLN HA H 31 4.222 4.019 0.203 1
1 178 . 2 1 1 A 31 31 GLN C C 31 177.403 177.727 -0.324 1
1 179 . 2 1 1 A 31 31 GLN CA C 31 57.904 58.268 -0.364 1
1 180 . 2 1 1 A 31 31 GLN CB C 31 29.119 28.740 0.379 1
1 181 . 2 1 1 A 31 31 GLN N N 31 120.710 122.133 -1.423 1
1 182 . 2 1 1 A 32 32 GLU H H 32 8.049 8.099 -0.050 1
1 183 . 2 1 1 A 32 32 GLU HA H 32 4.320 4.281 0.039 1
1 184 . 2 1 1 A 32 32 GLU C C 32 176.734 178.771 -2.037 1
1 185 . 2 1 1 A 32 32 GLU CA C 32 57.116 58.431 -1.315 1
1 186 . 2 1 1 A 32 32 GLU CB C 32 28.505 29.116 -0.611 1
1 187 . 2 1 1 A 32 32 GLU N N 32 117.872 118.454 -0.582 1
1 188 . 2 1 1 A 33 33 SER H H 33 7.973 9.510 -1.537 1
1 189 . 2 1 1 A 33 33 SER HA H 33 4.454 4.300 0.154 1
1 190 . 2 1 1 A 33 33 SER C C 33 176.505 176.607 -0.102 1
1 191 . 2 1 1 A 33 33 SER CA C 33 59.379 61.006 -1.627 1
1 192 . 2 1 1 A 33 33 SER CB C 33 64.359 63.005 1.354 1
1 193 . 2 1 1 A 33 33 SER N N 33 115.021 115.182 -0.161 1
1 194 . 2 1 1 A 34 34 GLN H H 34 8.379 7.991 0.388 1
1 195 . 2 1 1 A 34 34 GLN HA H 34 4.249 4.062 0.187 1
1 196 . 2 1 1 A 34 34 GLN C C 34 175.446 178.832 -3.386 1
1 197 . 2 1 1 A 34 34 GLN CA C 34 58.287 58.447 -0.160 1
1 198 . 2 1 1 A 34 34 GLN CB C 34 28.507 28.023 0.484 1
1 199 . 2 1 1 A 34 34 GLN N N 34 121.821 121.638 0.183 1
1 200 . 2 1 1 A 35 35 VAL H H 35 7.885 7.757 0.128 1
1 201 . 2 1 1 A 35 35 VAL HA H 35 3.890 3.799 0.091 1
1 202 . 2 1 1 A 35 35 VAL C C 35 178.220 177.115 1.105 1
1 203 . 2 1 1 A 35 35 VAL CA C 35 65.572 64.766 0.806 1
1 204 . 2 1 1 A 35 35 VAL CB C 35 31.809 31.610 0.199 1
1 205 . 2 1 1 A 35 35 VAL N N 35 118.193 119.792 -1.599 1
1 206 . 2 1 1 A 36 36 ALA H H 36 7.941 8.083 -0.142 1
1 207 . 2 1 1 A 36 36 ALA HA H 36 4.017 4.013 0.004 1
1 208 . 2 1 1 A 36 36 ALA C C 36 175.366 179.369 -4.003 1
1 209 . 2 1 1 A 36 36 ALA CA C 36 55.299 55.528 -0.229 1
1 210 . 2 1 1 A 36 36 ALA CB C 36 18.710 18.627 0.083 1
1 211 . 2 1 1 A 36 36 ALA N N 36 121.942 124.239 -2.297 1
1 212 . 2 1 1 A 37 37 GLN H H 37 7.771 8.028 -0.257 1
1 213 . 2 1 1 A 37 37 GLN HA H 37 4.072 3.963 0.109 1
1 214 . 2 1 1 A 37 37 GLN C C 37 179.036 178.102 0.934 1
1 215 . 2 1 1 A 37 37 GLN CA C 37 58.656 59.345 -0.689 1
1 216 . 2 1 1 A 37 37 GLN CB C 37 28.583 28.395 0.188 1
1 217 . 2 1 1 A 37 37 GLN N N 37 115.154 117.910 -2.756 1
1 218 . 2 1 1 A 38 38 GLN H H 38 8.057 8.057 0.000 1
1 219 . 2 1 1 A 38 38 GLN HA H 38 4.161 4.070 0.091 1
1 220 . 2 1 1 A 38 38 GLN C C 38 178.965 177.682 1.283 1
1 221 . 2 1 1 A 38 38 GLN CA C 38 57.879 58.777 -0.898 1
1 222 . 2 1 1 A 38 38 GLN CB C 38 28.936 28.938 -0.002 1
1 223 . 2 1 1 A 38 38 GLN N N 38 119.273 119.107 0.166 1
1 224 . 2 1 1 A 39 39 ALA H H 39 8.226 8.831 -0.605 1
1 225 . 2 1 1 A 39 39 ALA HA H 39 3.878 4.236 -0.358 1
1 226 . 2 1 1 A 39 39 ALA C C 39 178.002 180.141 -2.139 1
1 227 . 2 1 1 A 39 39 ALA CA C 39 54.780 55.232 -0.452 1
1 228 . 2 1 1 A 39 39 ALA CB C 39 18.626 18.660 -0.034 1
1 229 . 2 1 1 A 39 39 ALA N N 39 121.849 121.270 0.579 1
1 230 . 2 1 1 A 40 40 ARG H H 40 8.078 9.096 -1.018 1
1 231 . 2 1 1 A 40 40 ARG HA H 40 4.519 4.055 0.464 1
1 232 . 2 1 1 A 40 40 ARG C C 40 178.581 179.467 -0.886 1
1 233 . 2 1 1 A 40 40 ARG CA C 40 59.438 58.775 0.663 1
1 234 . 2 1 1 A 40 40 ARG CB C 40 30.064 29.919 0.145 1
1 235 . 2 1 1 A 40 40 ARG N N 40 116.166 117.071 -0.905 1
1 236 . 2 1 1 A 41 41 GLY H H 41 7.962 9.408 -1.446 1
1 237 . 2 1 1 A 41 41 GLY HA2 H 41 3.965 3.695 0.270 1
1 238 . 2 1 1 A 41 41 GLY C C 41 178.678 175.992 2.686 1
1 239 . 2 1 1 A 41 41 GLY CA C 41 46.734 47.294 -0.560 1
1 240 . 2 1 1 A 41 41 GLY N N 41 106.758 108.108 -1.350 1
1 241 . 2 1 1 A 42 42 TRP H H 42 7.941 7.878 0.063 1
1 242 . 2 1 1 A 42 42 TRP HA H 42 4.027 4.634 -0.607 1
1 243 . 2 1 1 A 42 42 TRP C C 42 176.967 178.835 -1.868 1
1 244 . 2 1 1 A 42 42 TRP CA C 42 59.749 59.923 -0.174 1
1 245 . 2 1 1 A 42 42 TRP CB C 42 29.555 29.451 0.104 1
1 246 . 2 1 1 A 42 42 TRP N N 42 121.942 122.472 -0.530 1
1 247 . 2 1 1 A 43 43 VAL H H 43 8.025 7.982 0.043 1
1 248 . 2 1 1 A 43 43 VAL HA H 43 3.848 3.967 -0.119 1
1 249 . 2 1 1 A 43 43 VAL C C 43 178.333 178.059 0.274 1
1 250 . 2 1 1 A 43 43 VAL CA C 43 65.233 65.845 -0.612 1
1 251 . 2 1 1 A 43 43 VAL CB C 43 32.013 31.453 0.560 1
1 252 . 2 1 1 A 43 43 VAL N N 43 116.325 118.890 -2.565 1
1 253 . 2 1 1 A 44 44 THR H H 44 7.969 8.460 -0.491 1
1 254 . 2 1 1 A 44 44 THR HA H 44 4.239 4.067 0.172 1
1 255 . 2 1 1 A 44 44 THR C C 44 177.224 176.474 0.750 1
1 256 . 2 1 1 A 44 44 THR CA C 44 65.189 66.130 -0.941 1
1 257 . 2 1 1 A 44 44 THR CB C 44 69.255 68.292 0.963 1
1 258 . 2 1 1 A 44 44 THR N N 44 113.656 113.668 -0.012 1
1 259 . 2 1 1 A 45 45 ASP H H 45 8.195 7.249 0.946 1
1 260 . 2 1 1 A 45 45 ASP HA H 45 4.759 4.711 0.048 1
1 261 . 2 1 1 A 45 45 ASP C C 45 176.240 176.154 0.086 1
1 262 . 2 1 1 A 45 45 ASP CA C 45 55.102 53.922 1.180 1
1 263 . 2 1 1 A 45 45 ASP CB C 45 39.325 40.929 -1.604 1
1 264 . 2 1 1 A 45 45 ASP N N 45 120.741 120.534 0.207 1
1 265 . 2 1 1 A 46 46 GLY H H 46 8.193 7.741 0.452 1
1 266 . 2 1 1 A 46 46 GLY HA2 H 46 3.809 3.986 -0.177 1
1 267 . 2 1 1 A 46 46 GLY C C 46 177.272 175.262 2.010 1
1 268 . 2 1 1 A 46 46 GLY CA C 46 46.513 46.688 -0.175 1
1 269 . 2 1 1 A 46 46 GLY N N 46 108.690 107.990 0.700 1
1 270 . 2 1 1 A 47 47 PHE H H 47 8.371 7.869 0.502 1
1 271 . 2 1 1 A 47 47 PHE HA H 47 4.448 4.276 0.172 1
1 272 . 2 1 1 A 47 47 PHE C C 47 174.681 177.402 -2.721 1
1 273 . 2 1 1 A 47 47 PHE CA C 47 60.145 61.181 -1.036 1
1 274 . 2 1 1 A 47 47 PHE CB C 47 38.825 39.548 -0.723 1
1 275 . 2 1 1 A 47 47 PHE N N 47 119.504 120.627 -1.123 1
1 276 . 2 1 1 A 48 48 SER H H 48 8.160 8.469 -0.309 1
1 277 . 2 1 1 A 48 48 SER HA H 48 4.195 4.492 -0.297 1
1 278 . 2 1 1 A 48 48 SER C C 48 177.055 176.857 0.198 1
1 279 . 2 1 1 A 48 48 SER CA C 48 61.834 61.427 0.407 1
1 280 . 2 1 1 A 48 48 SER CB C 48 63.181 62.852 0.329 1
1 281 . 2 1 1 A 48 48 SER N N 48 113.986 114.225 -0.239 1
1 282 . 2 1 1 A 49 49 SER H H 49 8.050 8.615 -0.565 1
1 283 . 2 1 1 A 49 49 SER HA H 49 4.454 4.312 0.142 1
1 284 . 2 1 1 A 49 49 SER C C 49 176.526 176.223 0.303 1
1 285 . 2 1 1 A 49 49 SER CA C 49 61.217 61.273 -0.056 1
1 286 . 2 1 1 A 49 49 SER CB C 49 63.302 62.715 0.587 1
1 287 . 2 1 1 A 49 49 SER N N 49 116.779 116.747 0.032 1
1 288 . 2 1 1 A 50 50 LEU H H 50 8.003 7.950 0.053 1
1 289 . 2 1 1 A 50 50 LEU HA H 50 4.293 4.017 0.276 1
1 290 . 2 1 1 A 50 50 LEU C C 50 175.754 179.018 -3.264 1
1 291 . 2 1 1 A 50 50 LEU CA C 50 58.134 56.852 1.282 1
1 292 . 2 1 1 A 50 50 LEU CB C 50 41.976 41.049 0.927 1
1 293 . 2 1 1 A 50 50 LEU N N 50 122.176 121.142 1.034 1
1 294 . 2 1 1 A 51 51 LYS H H 51 8.091 9.078 -0.987 1
1 295 . 2 1 1 A 51 51 LYS HA H 51 4.072 3.920 0.152 1
1 296 . 2 1 1 A 51 51 LYS C C 51 178.459 178.292 0.167 1
1 297 . 2 1 1 A 51 51 LYS CA C 51 60.375 59.865 0.510 1
1 298 . 2 1 1 A 51 51 LYS CB C 51 32.156 32.133 0.023 1
1 299 . 2 1 1 A 51 51 LYS N N 51 117.526 121.153 -3.627 1
1 300 . 2 1 1 A 52 52 ASP H H 52 7.915 8.233 -0.318 1
1 301 . 2 1 1 A 52 52 ASP HA H 52 4.594 4.309 0.285 1
1 302 . 2 1 1 A 52 52 ASP C C 52 178.854 178.446 0.408 1
1 303 . 2 1 1 A 52 52 ASP CA C 52 56.696 57.324 -0.628 1
1 304 . 2 1 1 A 52 52 ASP CB C 52 39.194 40.449 -1.255 1
1 305 . 2 1 1 A 52 52 ASP N N 52 119.070 119.752 -0.682 1
1 306 . 2 1 1 A 53 53 TYR H H 53 8.144 8.313 -0.169 1
1 307 . 2 1 1 A 53 53 TYR HA H 53 4.630 4.553 0.077 1
1 308 . 2 1 1 A 53 53 TYR C C 53 178.269 178.375 -0.106 1
1 309 . 2 1 1 A 53 53 TYR CA C 53 60.692 60.490 0.202 1
1 310 . 2 1 1 A 53 53 TYR CB C 53 38.569 38.611 -0.042 1
1 311 . 2 1 1 A 53 53 TYR N N 53 120.243 118.404 1.839 1
1 312 . 2 1 1 A 54 54 TRP H H 54 8.591 8.773 -0.182 1
1 313 . 2 1 1 A 54 54 TRP HA H 54 4.494 4.427 0.067 1
1 314 . 2 1 1 A 54 54 TRP C C 54 178.007 178.777 -0.770 1
1 315 . 2 1 1 A 54 54 TRP CA C 54 59.747 60.478 -0.731 1
1 316 . 2 1 1 A 54 54 TRP CB C 54 30.447 29.200 1.247 1
1 317 . 2 1 1 A 54 54 TRP N N 54 120.624 120.596 0.028 1
1 318 . 2 1 1 A 55 55 SER H H 55 8.223 9.038 -0.815 1
1 319 . 2 1 1 A 55 55 SER HA H 55 3.906 4.104 -0.198 1
1 320 . 2 1 1 A 55 55 SER C C 55 176.913 176.330 0.583 1
1 321 . 2 1 1 A 55 55 SER CA C 55 62.150 61.785 0.365 1
1 322 . 2 1 1 A 55 55 SER CB C 55 63.019 63.166 -0.147 1
1 323 . 2 1 1 A 55 55 SER N N 55 112.199 114.678 -2.479 1
1 324 . 2 1 1 A 56 56 THR H H 56 7.689 8.098 -0.409 1
1 325 . 2 1 1 A 56 56 THR HA H 56 4.104 4.059 0.045 1
1 326 . 2 1 1 A 56 56 THR C C 56 176.440 176.416 0.024 1
1 327 . 2 1 1 A 56 56 THR CA C 56 66.346 65.061 1.285 1
1 328 . 2 1 1 A 56 56 THR CB C 56 68.858 68.883 -0.025 1
1 329 . 2 1 1 A 56 56 THR N N 56 117.331 115.021 2.310 1
1 330 . 2 1 1 A 57 57 VAL H H 57 7.960 8.564 -0.604 1
1 331 . 2 1 1 A 57 57 VAL HA H 57 3.623 3.566 0.057 1
1 332 . 2 1 1 A 57 57 VAL C C 57 176.128 177.967 -1.839 1
1 333 . 2 1 1 A 57 57 VAL CA C 57 66.489 66.795 -0.306 1
1 334 . 2 1 1 A 57 57 VAL CB C 57 31.829 31.518 0.311 1
1 335 . 2 1 1 A 57 57 VAL N N 57 121.777 122.092 -0.315 1
1 336 . 2 1 1 A 58 58 LYS H H 58 8.100 7.966 0.134 1
1 337 . 2 1 1 A 58 58 LYS HA H 58 3.554 3.854 -0.300 1
1 338 . 2 1 1 A 58 58 LYS C C 58 177.265 178.368 -1.103 1
1 339 . 2 1 1 A 58 58 LYS CA C 58 60.174 59.905 0.269 1
1 340 . 2 1 1 A 58 58 LYS CB C 58 31.373 32.353 -0.980 1
1 341 . 2 1 1 A 58 58 LYS N N 58 119.262 120.224 -0.962 1
1 342 . 2 1 1 A 59 59 ASP H H 59 7.826 8.257 -0.431 1
1 343 . 2 1 1 A 59 59 ASP HA H 59 4.473 4.334 0.139 1
1 344 . 2 1 1 A 59 59 ASP C C 59 178.762 179.095 -0.333 1
1 345 . 2 1 1 A 59 59 ASP CA C 59 56.562 57.697 -1.135 1
1 346 . 2 1 1 A 59 59 ASP CB C 59 39.446 41.946 -2.500 1
1 347 . 2 1 1 A 59 59 ASP N N 59 117.771 119.441 -1.670 1
1 348 . 2 1 1 A 60 60 LYS H H 60 8.052 9.573 -1.521 1
1 349 . 2 1 1 A 60 60 LYS HA H 60 4.141 4.371 -0.230 1
1 350 . 2 1 1 A 60 60 LYS C C 60 178.220 179.246 -1.026 1
1 351 . 2 1 1 A 60 60 LYS CA C 60 58.383 58.618 -0.235 1
1 352 . 2 1 1 A 60 60 LYS CB C 60 32.095 32.345 -0.250 1
1 353 . 2 1 1 A 60 60 LYS N N 60 119.850 119.419 0.431 1
1 354 . 2 1 1 A 61 61 PHE H H 61 8.301 8.364 -0.063 1
1 355 . 2 1 1 A 61 61 PHE HA H 61 4.337 4.205 0.132 1
1 356 . 2 1 1 A 61 61 PHE C C 61 178.462 177.857 0.605 1
1 357 . 2 1 1 A 61 61 PHE CA C 61 60.780 61.192 -0.412 1
1 358 . 2 1 1 A 61 61 PHE CB C 61 39.194 39.400 -0.206 1
1 359 . 2 1 1 A 61 61 PHE N N 61 118.056 121.026 -2.970 1
1 360 . 2 1 1 A 62 62 SER H H 62 8.160 8.388 -0.228 1
1 361 . 2 1 1 A 62 62 SER HA H 62 4.229 4.279 -0.050 1
1 362 . 2 1 1 A 62 62 SER C C 62 177.060 176.911 0.149 1
1 363 . 2 1 1 A 62 62 SER CA C 62 61.546 61.630 -0.084 1
1 364 . 2 1 1 A 62 62 SER CB C 62 63.368 63.319 0.049 1
1 365 . 2 1 1 A 62 62 SER N N 62 113.635 115.463 -1.828 1
1 366 . 2 1 1 A 63 63 GLU H H 63 7.847 8.002 -0.155 1
1 367 . 2 1 1 A 63 63 GLU HA H 63 4.200 4.172 0.028 1
1 368 . 2 1 1 A 63 63 GLU C C 63 175.917 179.257 -3.340 1
1 369 . 2 1 1 A 63 63 GLU CA C 63 57.833 58.863 -1.030 1
1 370 . 2 1 1 A 63 63 GLU CB C 63 28.314 29.519 -1.205 1
1 371 . 2 1 1 A 63 63 GLU N N 63 119.485 121.610 -2.125 1
1 372 . 2 1 1 A 64 64 PHE H H 64 7.792 8.645 -0.853 1
1 373 . 2 1 1 A 64 64 PHE HA H 64 4.448 4.129 0.319 1
1 374 . 2 1 1 A 64 64 PHE C C 64 177.370 177.726 -0.356 1
1 375 . 2 1 1 A 64 64 PHE CA C 64 59.714 60.661 -0.947 1
1 376 . 2 1 1 A 64 64 PHE CB C 64 39.825 39.339 0.486 1
1 377 . 2 1 1 A 64 64 PHE N N 64 118.506 121.061 -2.555 1
1 378 . 2 1 1 A 65 65 TRP H H 65 7.776 7.858 -0.082 1
1 379 . 2 1 1 A 65 65 TRP HA H 65 4.524 4.037 0.487 1
1 380 . 2 1 1 A 65 65 TRP C C 65 175.868 176.095 -0.227 1
1 381 . 2 1 1 A 65 65 TRP CA C 65 57.472 60.291 -2.819 1
1 382 . 2 1 1 A 65 65 TRP CB C 65 30.031 29.877 0.154 1
1 383 . 2 1 1 A 65 65 TRP N N 65 118.247 120.800 -2.553 1
1 384 . 2 1 1 A 66 66 ASP H H 66 7.832 7.615 0.217 1
1 385 . 2 1 1 A 66 66 ASP HA H 66 4.708 4.659 0.049 1
1 386 . 2 1 1 A 66 66 ASP C C 66 175.345 175.178 0.167 1
1 387 . 2 1 1 A 66 66 ASP CA C 66 53.378 53.868 -0.490 1
1 388 . 2 1 1 A 66 66 ASP CB C 66 38.672 40.983 -2.311 1
1 389 . 2 1 1 A 66 66 ASP N N 66 119.198 118.082 1.116 1
1 390 . 2 1 1 A 67 67 LEU H H 67 7.877 8.447 -0.570 1
1 391 . 2 1 1 A 67 67 LEU HA H 67 4.346 4.550 -0.204 1
1 392 . 2 1 1 A 67 67 LEU C C 67 175.060 175.997 -0.937 1
1 393 . 2 1 1 A 67 67 LEU CA C 67 55.458 53.830 1.628 1
1 394 . 2 1 1 A 67 67 LEU CB C 67 42.444 42.532 -0.088 1
1 395 . 2 1 1 A 67 67 LEU N N 67 121.856 125.560 -3.704 1
1 396 . 2 1 1 A 68 68 ASP H H 68 7.939 8.349 -0.410 1
1 397 . 2 1 1 A 68 68 ASP HA H 68 4.571 4.713 -0.142 1
1 398 . 2 1 1 A 68 68 ASP C C 68 176.528 176.786 -0.258 1
1 399 . 2 1 1 A 68 68 ASP CA C 68 54.086 52.988 1.098 1
1 400 . 2 1 1 A 68 68 ASP CB C 68 40.423 40.397 0.026 1
1 401 . 2 1 1 A 68 68 ASP N N 68 122.966 120.502 2.464 1
1 402 . 2 1 1 A 69 69 PRO CA C 69 62.556 64.237 -1.681 1
1 403 . 2 1 1 A 69 69 PRO CB C 69 32.514 31.945 0.569 1
1 404 . 2 1 1 A 70 70 GLU H H 70 8.627 8.104 0.523 1
1 405 . 2 1 1 A 70 70 GLU HA H 70 4.532 4.712 -0.180 1
1 406 . 2 1 1 A 70 70 GLU C C 70 172.210 175.083 -2.873 1
1 407 . 2 1 1 A 70 70 GLU CA C 70 56.488 55.193 1.295 1
1 408 . 2 1 1 A 70 70 GLU CB C 70 29.544 31.192 -1.648 1
1 409 . 2 1 1 A 70 70 GLU N N 70 120.105 118.911 1.194 1
1 410 . 2 1 1 A 71 71 VAL H H 71 7.826 8.744 -0.918 1
1 411 . 2 1 1 A 71 71 VAL HA H 71 4.210 4.566 -0.356 1
1 412 . 2 1 1 A 71 71 VAL C C 71 175.329 175.444 -0.115 1
1 413 . 2 1 1 A 71 71 VAL CA C 71 61.895 61.167 0.728 1
1 414 . 2 1 1 A 71 71 VAL CB C 71 33.096 32.029 1.067 1
1 415 . 2 1 1 A 71 71 VAL N N 71 119.356 120.967 -1.611 1
1 416 . 2 1 1 A 72 72 ARG H H 72 8.103 8.227 -0.124 1
1 417 . 2 1 1 A 72 72 ARG HA H 72 4.757 4.761 -0.004 1
1 418 . 2 1 1 A 72 72 ARG C C 72 174.732 175.662 -0.930 1
1 419 . 2 1 1 A 72 72 ARG CA C 72 53.719 52.819 0.900 1
1 420 . 2 1 1 A 72 72 ARG CB C 72 30.795 31.395 -0.600 1
1 421 . 2 1 1 A 72 72 ARG N N 72 122.861 126.766 -3.905 1
1 422 . 2 1 1 A 73 73 PRO CA C 73 64.693 64.356 0.337 1
1 423 . 2 1 1 A 73 73 PRO CB C 73 31.605 31.821 -0.216 1
1 424 . 2 1 1 A 74 74 THR H H 74 7.959 7.551 0.408 1
1 425 . 2 1 1 A 74 74 THR HA H 74 4.131 4.021 0.110 1
1 426 . 2 1 1 A 74 74 THR C C 74 176.913 175.741 1.172 1
1 427 . 2 1 1 A 74 74 THR CA C 74 64.309 65.326 -1.017 1
1 428 . 2 1 1 A 74 74 THR CB C 74 69.160 68.973 0.187 1
1 429 . 2 1 1 A 74 74 THR N N 74 110.152 112.326 -2.174 1
1 430 . 2 1 1 A 75 75 SER H H 75 7.997 8.230 -0.233 1
1 431 . 2 1 1 A 75 75 SER HA H 75 4.483 4.006 0.477 1
1 432 . 2 1 1 A 75 75 SER C C 75 176.093 177.058 -0.965 1
1 433 . 2 1 1 A 75 75 SER CA C 75 60.300 61.548 -1.248 1
1 434 . 2 1 1 A 75 75 SER CB C 75 63.327 62.947 0.380 1
1 435 . 2 1 1 A 75 75 SER N N 75 117.147 115.180 1.967 1
1 436 . 2 1 1 A 76 76 ALA H H 76 8.109 7.552 0.557 1
1 437 . 2 1 1 A 76 76 ALA HA H 76 4.219 4.081 0.138 1
1 438 . 2 1 1 A 76 76 ALA C C 76 175.737 180.104 -4.367 1
1 439 . 2 1 1 A 76 76 ALA CA C 76 54.932 55.325 -0.393 1
1 440 . 2 1 1 A 76 76 ALA CB C 76 18.773 18.575 0.198 1
1 441 . 2 1 1 A 76 76 ALA N N 76 124.803 123.477 1.326 1
1 442 . 2 1 1 A 77 77 VAL H H 77 7.798 8.114 -0.316 1
1 443 . 2 1 1 A 77 77 VAL HA H 77 3.682 3.481 0.201 1
1 444 . 2 1 1 A 77 77 VAL C C 77 178.536 178.233 0.303 1
1 445 . 2 1 1 A 77 77 VAL CA C 77 66.335 66.499 -0.164 1
1 446 . 2 1 1 A 77 77 VAL CB C 77 31.744 31.635 0.109 1
1 447 . 2 1 1 A 77 77 VAL N N 77 115.730 117.820 -2.090 1
1 448 . 2 1 1 A 78 78 ALA H H 78 7.832 8.191 -0.359 1
1 449 . 2 1 1 A 78 78 ALA HA H 78 4.115 4.193 -0.078 1
1 450 . 2 1 1 A 78 78 ALA C C 78 177.362 177.565 -0.203 1
1 451 . 2 1 1 A 78 78 ALA CA C 78 54.902 53.603 1.299 1
1 452 . 2 1 1 A 78 78 ALA CB C 78 18.311 18.630 -0.319 1
1 453 . 2 1 1 A 78 78 ALA N N 78 121.924 120.798 1.126 1
1 3 . 3 1 1 A 2 2 GLU H H 2 8.776 7.432 1.344 1
1 4 . 3 1 1 A 2 2 GLU HA H 2 4.415 4.603 -0.188 1
1 5 . 3 1 1 A 2 2 GLU C C 2 171.203 174.477 -3.274 1
1 6 . 3 1 1 A 2 2 GLU CA C 2 56.971 55.980 0.991 1
1 7 . 3 1 1 A 2 2 GLU CB C 2 29.269 32.726 -3.457 1
1 8 . 3 1 1 A 2 2 GLU N N 2 121.323 120.105 1.218 1
1 9 . 3 1 1 A 3 3 ALA H H 3 8.283 8.732 -0.449 1
1 10 . 3 1 1 A 3 3 ALA HA H 3 4.317 4.348 -0.031 1
1 11 . 3 1 1 A 3 3 ALA C C 3 176.007 178.811 -2.804 1
1 12 . 3 1 1 A 3 3 ALA CA C 3 53.244 52.604 0.640 1
1 13 . 3 1 1 A 3 3 ALA CB C 3 19.153 18.912 0.241 1
1 14 . 3 1 1 A 3 3 ALA N N 3 123.378 129.030 -5.652 1
1 15 . 3 1 1 A 4 4 GLU H H 4 8.109 8.984 -0.875 1
1 16 . 3 1 1 A 4 4 GLU HA H 4 4.366 4.001 0.365 1
1 17 . 3 1 1 A 4 4 GLU C C 4 177.975 177.647 0.328 1
1 18 . 3 1 1 A 4 4 GLU CA C 4 56.850 58.877 -2.027 1
1 19 . 3 1 1 A 4 4 GLU CB C 4 29.078 29.921 -0.843 1
1 20 . 3 1 1 A 4 4 GLU N N 4 118.121 125.293 -7.172 1
1 21 . 3 1 1 A 5 5 ASP H H 5 8.201 7.945 0.256 1
1 22 . 3 1 1 A 5 5 ASP HA H 5 4.659 4.432 0.227 1
1 23 . 3 1 1 A 5 5 ASP C C 5 176.393 177.674 -1.281 1
1 24 . 3 1 1 A 5 5 ASP CA C 5 54.166 57.169 -3.003 1
1 25 . 3 1 1 A 5 5 ASP CB C 5 39.422 40.345 -0.923 1
1 26 . 3 1 1 A 5 5 ASP N N 5 119.089 118.798 0.291 1
1 27 . 3 1 1 A 6 6 ALA H H 6 8.045 7.265 0.780 1
1 28 . 3 1 1 A 6 6 ALA HA H 6 4.376 4.207 0.169 1
1 29 . 3 1 1 A 6 6 ALA C C 6 175.403 177.532 -2.129 1
1 30 . 3 1 1 A 6 6 ALA CA C 6 53.166 53.054 0.112 1
1 31 . 3 1 1 A 6 6 ALA CB C 6 19.232 19.120 0.112 1
1 32 . 3 1 1 A 6 6 ALA N N 6 123.242 122.728 0.514 1
1 33 . 3 1 1 A 7 7 SER H H 7 8.168 8.903 -0.735 1
1 34 . 3 1 1 A 7 7 SER HA H 7 4.543 4.542 0.001 1
1 35 . 3 1 1 A 7 7 SER C C 7 177.957 175.672 2.285 1
1 36 . 3 1 1 A 7 7 SER CA C 7 59.090 58.505 0.585 1
1 37 . 3 1 1 A 7 7 SER CB C 7 64.084 64.204 -0.120 1
1 38 . 3 1 1 A 7 7 SER N N 7 115.046 117.510 -2.464 1
1 39 . 3 1 1 A 8 8 LEU H H 8 8.410 8.938 -0.528 1
1 40 . 3 1 1 A 8 8 LEU HA H 8 4.297 4.261 0.036 1
1 41 . 3 1 1 A 8 8 LEU C C 8 175.818 177.933 -2.115 1
1 42 . 3 1 1 A 8 8 LEU CA C 8 58.225 56.823 1.402 1
1 43 . 3 1 1 A 8 8 LEU CB C 8 42.057 41.569 0.488 1
1 44 . 3 1 1 A 8 8 LEU N N 8 124.101 124.542 -0.441 1
1 45 . 3 1 1 A 9 9 LEU H H 9 8.007 7.738 0.269 1
1 46 . 3 1 1 A 9 9 LEU HA H 9 4.245 4.226 0.019 1
1 47 . 3 1 1 A 9 9 LEU C C 9 178.573 178.980 -0.407 1
1 48 . 3 1 1 A 9 9 LEU CA C 9 57.976 55.995 1.981 1
1 49 . 3 1 1 A 9 9 LEU CB C 9 41.475 41.910 -0.435 1
1 50 . 3 1 1 A 9 9 LEU N N 9 117.546 119.019 -1.473 1
1 51 . 3 1 1 A 10 10 SER H H 10 7.979 8.318 -0.339 1
1 52 . 3 1 1 A 10 10 SER HA H 10 4.320 4.096 0.224 1
1 53 . 3 1 1 A 10 10 SER C C 10 178.812 177.129 1.683 1
1 54 . 3 1 1 A 10 10 SER CA C 10 61.538 61.475 0.063 1
1 55 . 3 1 1 A 10 10 SER CB C 10 62.776 62.962 -0.186 1
1 56 . 3 1 1 A 10 10 SER N N 10 114.105 115.192 -1.087 1
1 57 . 3 1 1 A 11 11 PHE H H 11 8.046 8.322 -0.276 1
1 58 . 3 1 1 A 11 11 PHE HA H 11 4.439 4.310 0.129 1
1 59 . 3 1 1 A 11 11 PHE C C 11 177.370 178.409 -1.039 1
1 60 . 3 1 1 A 11 11 PHE CA C 11 60.823 61.029 -0.206 1
1 61 . 3 1 1 A 11 11 PHE CB C 11 39.190 39.013 0.177 1
1 62 . 3 1 1 A 11 11 PHE N N 11 122.342 119.757 2.585 1
1 63 . 3 1 1 A 12 12 MET H H 12 8.260 8.264 -0.004 1
1 64 . 3 1 1 A 12 12 MET HA H 12 4.303 4.172 0.131 1
1 65 . 3 1 1 A 12 12 MET C C 12 177.760 178.448 -0.688 1
1 66 . 3 1 1 A 12 12 MET CA C 12 58.034 59.394 -1.360 1
1 67 . 3 1 1 A 12 12 MET CB C 12 32.703 32.952 -0.249 1
1 68 . 3 1 1 A 12 12 MET N N 12 118.124 117.519 0.605 1
1 69 . 3 1 1 A 13 13 GLN H H 13 8.371 8.517 -0.146 1
1 70 . 3 1 1 A 13 13 GLN HA H 13 4.082 4.026 0.056 1
1 71 . 3 1 1 A 13 13 GLN C C 13 177.866 178.784 -0.918 1
1 72 . 3 1 1 A 13 13 GLN CA C 13 59.149 59.492 -0.343 1
1 73 . 3 1 1 A 13 13 GLN CB C 13 28.792 28.843 -0.051 1
1 74 . 3 1 1 A 13 13 GLN N N 13 118.154 119.868 -1.714 1
1 75 . 3 1 1 A 14 14 GLY H H 14 8.029 8.109 -0.080 1
1 76 . 3 1 1 A 14 14 GLY HA2 H 14 3.916 3.717 0.199 1
1 77 . 3 1 1 A 14 14 GLY C C 14 178.079 175.432 2.647 1
1 78 . 3 1 1 A 14 14 GLY CA C 14 46.795 47.226 -0.431 1
1 79 . 3 1 1 A 14 14 GLY N N 14 106.304 107.202 -0.898 1
1 80 . 3 1 1 A 15 15 TYR H H 15 7.950 8.104 -0.154 1
1 81 . 3 1 1 A 15 15 TYR HA H 15 4.307 4.128 0.179 1
1 82 . 3 1 1 A 15 15 TYR C C 15 175.811 177.498 -1.687 1
1 83 . 3 1 1 A 15 15 TYR CA C 15 61.112 61.631 -0.519 1
1 84 . 3 1 1 A 15 15 TYR CB C 15 39.251 39.062 0.189 1
1 85 . 3 1 1 A 15 15 TYR N N 15 121.528 123.652 -2.124 1
1 86 . 3 1 1 A 16 16 MET H H 16 8.199 8.357 -0.158 1
1 87 . 3 1 1 A 16 16 MET HA H 16 4.307 4.158 0.149 1
1 88 . 3 1 1 A 16 16 MET C C 16 177.685 178.497 -0.812 1
1 89 . 3 1 1 A 16 16 MET CA C 16 57.476 58.359 -0.883 1
1 90 . 3 1 1 A 16 16 MET CB C 16 32.342 31.813 0.529 1
1 91 . 3 1 1 A 16 16 MET N N 16 117.173 116.996 0.177 1
1 92 . 3 1 1 A 17 17 LYS H H 17 7.924 7.571 0.353 1
1 93 . 3 1 1 A 17 17 LYS HA H 17 4.190 4.066 0.124 1
1 94 . 3 1 1 A 17 17 LYS C C 17 177.849 178.739 -0.890 1
1 95 . 3 1 1 A 17 17 LYS CA C 17 58.393 59.046 -0.653 1
1 96 . 3 1 1 A 17 17 LYS CB C 17 32.311 32.374 -0.063 1
1 97 . 3 1 1 A 17 17 LYS N N 17 118.640 119.413 -0.773 1
1 98 . 3 1 1 A 18 18 HIS H H 18 7.889 8.860 -0.971 1
1 99 . 3 1 1 A 18 18 HIS HA H 18 4.542 4.143 0.399 1
1 100 . 3 1 1 A 18 18 HIS C C 18 177.796 177.285 0.511 1
1 101 . 3 1 1 A 18 18 HIS CA C 18 56.698 59.477 -2.779 1
1 102 . 3 1 1 A 18 18 HIS CB C 18 28.505 30.005 -1.500 1
1 103 . 3 1 1 A 18 18 HIS N N 18 116.031 120.050 -4.019 1
1 104 . 3 1 1 A 19 19 ALA H H 19 8.144 9.110 -0.966 1
1 105 . 3 1 1 A 19 19 ALA HA H 19 4.282 3.747 0.535 1
1 106 . 3 1 1 A 19 19 ALA C C 19 178.213 179.309 -1.096 1
1 107 . 3 1 1 A 19 19 ALA CA C 19 54.166 54.457 -0.291 1
1 108 . 3 1 1 A 19 19 ALA CB C 19 19.133 18.061 1.072 1
1 109 . 3 1 1 A 19 19 ALA N N 19 123.402 120.664 2.738 1
1 110 . 3 1 1 A 20 20 THR H H 20 8.186 7.305 0.881 1
1 111 . 3 1 1 A 20 20 THR HA H 20 4.128 3.910 0.218 1
1 112 . 3 1 1 A 20 20 THR C C 20 178.380 176.582 1.798 1
1 113 . 3 1 1 A 20 20 THR CA C 20 64.460 65.896 -1.436 1
1 114 . 3 1 1 A 20 20 THR CB C 20 69.213 68.434 0.779 1
1 115 . 3 1 1 A 20 20 THR N N 20 111.155 114.032 -2.877 1
1 116 . 3 1 1 A 21 21 LYS H H 21 7.715 8.098 -0.383 1
1 117 . 3 1 1 A 21 21 LYS HA H 21 4.349 3.987 0.362 1
1 118 . 3 1 1 A 21 21 LYS C C 21 175.517 179.425 -3.908 1
1 119 . 3 1 1 A 21 21 LYS CA C 21 58.000 59.311 -1.311 1
1 120 . 3 1 1 A 21 21 LYS CB C 21 32.848 32.307 0.541 1
1 121 . 3 1 1 A 21 21 LYS N N 21 121.662 120.839 0.823 1
1 122 . 3 1 1 A 22 22 THR H H 22 8.000 8.170 -0.170 1
1 123 . 3 1 1 A 22 22 THR HA H 22 4.297 4.136 0.161 1
1 124 . 3 1 1 A 22 22 THR C C 22 177.240 176.653 0.587 1
1 125 . 3 1 1 A 22 22 THR CA C 22 64.040 64.472 -0.432 1
1 126 . 3 1 1 A 22 22 THR CB C 22 69.733 68.495 1.238 1
1 127 . 3 1 1 A 22 22 THR N N 22 113.812 112.593 1.219 1
1 128 . 3 1 1 A 23 23 ALA H H 23 8.412 7.662 0.750 1
1 129 . 3 1 1 A 23 23 ALA HA H 23 4.122 3.960 0.162 1
1 130 . 3 1 1 A 23 23 ALA C C 23 175.964 179.938 -3.974 1
1 131 . 3 1 1 A 23 23 ALA CA C 23 55.316 55.486 -0.170 1
1 132 . 3 1 1 A 23 23 ALA CB C 23 18.618 18.314 0.304 1
1 133 . 3 1 1 A 23 23 ALA N N 23 123.778 125.932 -2.154 1
1 134 . 3 1 1 A 24 24 LYS H H 24 8.205 7.724 0.481 1
1 135 . 3 1 1 A 24 24 LYS HA H 24 3.975 3.925 0.050 1
1 136 . 3 1 1 A 24 24 LYS C C 24 178.579 178.507 0.072 1
1 137 . 3 1 1 A 24 24 LYS CA C 24 59.821 59.335 0.486 1
1 138 . 3 1 1 A 24 24 LYS CB C 24 32.287 32.116 0.171 1
1 139 . 3 1 1 A 24 24 LYS N N 24 116.572 117.381 -0.809 1
1 140 . 3 1 1 A 25 25 ASP H H 25 8.162 8.374 -0.212 1
1 141 . 3 1 1 A 25 25 ASP HA H 25 4.633 4.322 0.311 1
1 142 . 3 1 1 A 25 25 ASP C C 25 178.849 178.934 -0.085 1
1 143 . 3 1 1 A 25 25 ASP CA C 25 56.667 57.386 -0.719 1
1 144 . 3 1 1 A 25 25 ASP CB C 25 39.431 40.200 -0.769 1
1 145 . 3 1 1 A 25 25 ASP N N 25 119.217 119.005 0.212 1
1 146 . 3 1 1 A 26 26 ALA H H 26 8.144 8.182 -0.038 1
1 147 . 3 1 1 A 26 26 ALA HA H 26 4.297 4.089 0.208 1
1 148 . 3 1 1 A 26 26 ALA C C 26 175.378 180.018 -4.640 1
1 149 . 3 1 1 A 26 26 ALA CA C 26 54.877 54.929 -0.052 1
1 150 . 3 1 1 A 26 26 ALA CB C 26 18.648 18.065 0.583 1
1 151 . 3 1 1 A 26 26 ALA N N 26 123.402 122.780 0.622 1
1 152 . 3 1 1 A 27 27 LEU H H 27 8.203 9.827 -1.624 1
1 153 . 3 1 1 A 27 27 LEU HA H 27 4.149 3.890 0.259 1
1 154 . 3 1 1 A 27 27 LEU C C 27 179.408 178.916 0.492 1
1 155 . 3 1 1 A 27 27 LEU CA C 27 57.457 58.082 -0.625 1
1 156 . 3 1 1 A 27 27 LEU CB C 27 41.794 41.226 0.568 1
1 157 . 3 1 1 A 27 27 LEU N N 27 117.567 119.290 -1.723 1
1 158 . 3 1 1 A 28 28 SER H H 28 8.010 8.626 -0.616 1
1 159 . 3 1 1 A 28 28 SER HA H 28 4.348 4.251 0.097 1
1 160 . 3 1 1 A 28 28 SER C C 28 178.515 176.695 1.820 1
1 161 . 3 1 1 A 28 28 SER CA C 28 61.275 61.689 -0.414 1
1 162 . 3 1 1 A 28 28 SER CB C 28 63.339 62.717 0.622 1
1 163 . 3 1 1 A 28 28 SER N N 28 113.313 113.955 -0.642 1
1 164 . 3 1 1 A 29 29 SER H H 29 7.899 7.493 0.406 1
1 165 . 3 1 1 A 29 29 SER HA H 29 4.483 4.396 0.087 1
1 166 . 3 1 1 A 29 29 SER C C 29 176.227 175.715 0.512 1
1 167 . 3 1 1 A 29 29 SER CA C 29 60.684 59.567 1.117 1
1 168 . 3 1 1 A 29 29 SER CB C 29 63.720 62.675 1.045 1
1 169 . 3 1 1 A 29 29 SER N N 29 116.193 116.710 -0.517 1
1 170 . 3 1 1 A 30 30 VAL H H 30 7.832 8.217 -0.385 1
1 171 . 3 1 1 A 30 30 VAL HA H 30 4.131 3.930 0.201 1
1 172 . 3 1 1 A 30 30 VAL C C 30 175.982 177.753 -1.771 1
1 173 . 3 1 1 A 30 30 VAL CA C 30 64.518 64.382 0.136 1
1 174 . 3 1 1 A 30 30 VAL CB C 30 32.102 31.500 0.602 1
1 175 . 3 1 1 A 30 30 VAL N N 30 120.035 119.160 0.875 1
1 176 . 3 1 1 A 31 31 GLN H H 31 8.252 8.083 0.169 1
1 177 . 3 1 1 A 31 31 GLN HA H 31 4.222 4.036 0.186 1
1 178 . 3 1 1 A 31 31 GLN C C 31 177.403 177.687 -0.284 1
1 179 . 3 1 1 A 31 31 GLN CA C 31 57.904 58.782 -0.878 1
1 180 . 3 1 1 A 31 31 GLN CB C 31 29.119 28.245 0.874 1
1 181 . 3 1 1 A 31 31 GLN N N 31 120.710 121.729 -1.019 1
1 182 . 3 1 1 A 32 32 GLU H H 32 8.049 8.499 -0.450 1
1 183 . 3 1 1 A 32 32 GLU HA H 32 4.320 4.206 0.114 1
1 184 . 3 1 1 A 32 32 GLU C C 32 176.734 178.171 -1.437 1
1 185 . 3 1 1 A 32 32 GLU CA C 32 57.116 57.895 -0.779 1
1 186 . 3 1 1 A 32 32 GLU CB C 32 28.505 28.409 0.096 1
1 187 . 3 1 1 A 32 32 GLU N N 32 117.872 118.068 -0.196 1
1 188 . 3 1 1 A 33 33 SER H H 33 7.973 9.647 -1.674 1
1 189 . 3 1 1 A 33 33 SER HA H 33 4.454 4.167 0.287 1
1 190 . 3 1 1 A 33 33 SER C C 33 176.505 176.418 0.087 1
1 191 . 3 1 1 A 33 33 SER CA C 33 59.379 60.878 -1.499 1
1 192 . 3 1 1 A 33 33 SER CB C 33 64.359 63.245 1.114 1
1 193 . 3 1 1 A 33 33 SER N N 33 115.021 117.177 -2.156 1
1 194 . 3 1 1 A 34 34 GLN H H 34 8.379 7.912 0.467 1
1 195 . 3 1 1 A 34 34 GLN HA H 34 4.249 4.057 0.192 1
1 196 . 3 1 1 A 34 34 GLN C C 34 175.446 178.477 -3.031 1
1 197 . 3 1 1 A 34 34 GLN CA C 34 58.287 58.395 -0.108 1
1 198 . 3 1 1 A 34 34 GLN CB C 34 28.507 28.016 0.491 1
1 199 . 3 1 1 A 34 34 GLN N N 34 121.821 119.912 1.909 1
1 200 . 3 1 1 A 35 35 VAL H H 35 7.885 7.677 0.208 1
1 201 . 3 1 1 A 35 35 VAL HA H 35 3.890 3.893 -0.003 1
1 202 . 3 1 1 A 35 35 VAL C C 35 178.220 177.527 0.693 1
1 203 . 3 1 1 A 35 35 VAL CA C 35 65.572 64.415 1.157 1
1 204 . 3 1 1 A 35 35 VAL CB C 35 31.809 31.394 0.415 1
1 205 . 3 1 1 A 35 35 VAL N N 35 118.193 117.583 0.610 1
1 206 . 3 1 1 A 36 36 ALA H H 36 7.941 7.935 0.006 1
1 207 . 3 1 1 A 36 36 ALA HA H 36 4.017 4.031 -0.014 1
1 208 . 3 1 1 A 36 36 ALA C C 36 175.366 180.424 -5.058 1
1 209 . 3 1 1 A 36 36 ALA CA C 36 55.299 55.515 -0.216 1
1 210 . 3 1 1 A 36 36 ALA CB C 36 18.710 18.592 0.118 1
1 211 . 3 1 1 A 36 36 ALA N N 36 121.942 125.567 -3.625 1
1 212 . 3 1 1 A 37 37 GLN H H 37 7.771 7.795 -0.024 1
1 213 . 3 1 1 A 37 37 GLN HA H 37 4.072 3.995 0.077 1
1 214 . 3 1 1 A 37 37 GLN C C 37 179.036 178.544 0.492 1
1 215 . 3 1 1 A 37 37 GLN CA C 37 58.656 59.137 -0.481 1
1 216 . 3 1 1 A 37 37 GLN CB C 37 28.583 28.226 0.357 1
1 217 . 3 1 1 A 37 37 GLN N N 37 115.154 117.474 -2.320 1
1 218 . 3 1 1 A 38 38 GLN H H 38 8.057 7.805 0.252 1
1 219 . 3 1 1 A 38 38 GLN HA H 38 4.161 4.060 0.101 1
1 220 . 3 1 1 A 38 38 GLN C C 38 178.965 177.723 1.242 1
1 221 . 3 1 1 A 38 38 GLN CA C 38 57.879 58.849 -0.970 1
1 222 . 3 1 1 A 38 38 GLN CB C 38 28.936 29.219 -0.283 1
1 223 . 3 1 1 A 38 38 GLN N N 38 119.273 119.684 -0.411 1
1 224 . 3 1 1 A 39 39 ALA H H 39 8.226 8.615 -0.389 1
1 225 . 3 1 1 A 39 39 ALA HA H 39 3.878 4.320 -0.442 1
1 226 . 3 1 1 A 39 39 ALA C C 39 178.002 180.053 -2.051 1
1 227 . 3 1 1 A 39 39 ALA CA C 39 54.780 55.083 -0.303 1
1 228 . 3 1 1 A 39 39 ALA CB C 39 18.626 18.643 -0.017 1
1 229 . 3 1 1 A 39 39 ALA N N 39 121.849 121.889 -0.040 1
1 230 . 3 1 1 A 40 40 ARG H H 40 8.078 8.914 -0.836 1
1 231 . 3 1 1 A 40 40 ARG HA H 40 4.519 4.027 0.492 1
1 232 . 3 1 1 A 40 40 ARG C C 40 178.581 179.633 -1.052 1
1 233 . 3 1 1 A 40 40 ARG CA C 40 59.438 58.840 0.598 1
1 234 . 3 1 1 A 40 40 ARG CB C 40 30.064 30.041 0.023 1
1 235 . 3 1 1 A 40 40 ARG N N 40 116.166 117.057 -0.891 1
1 236 . 3 1 1 A 41 41 GLY H H 41 7.962 9.071 -1.109 1
1 237 . 3 1 1 A 41 41 GLY HA2 H 41 3.965 3.513 0.452 1
1 238 . 3 1 1 A 41 41 GLY C C 41 178.678 176.099 2.579 1
1 239 . 3 1 1 A 41 41 GLY CA C 41 46.734 47.222 -0.488 1
1 240 . 3 1 1 A 41 41 GLY N N 41 106.758 108.099 -1.341 1
1 241 . 3 1 1 A 42 42 TRP H H 42 7.941 7.677 0.264 1
1 242 . 3 1 1 A 42 42 TRP HA H 42 4.027 4.654 -0.627 1
1 243 . 3 1 1 A 42 42 TRP C C 42 176.967 178.824 -1.857 1
1 244 . 3 1 1 A 42 42 TRP CA C 42 59.749 59.988 -0.239 1
1 245 . 3 1 1 A 42 42 TRP CB C 42 29.555 29.130 0.425 1
1 246 . 3 1 1 A 42 42 TRP N N 42 121.942 122.519 -0.577 1
1 247 . 3 1 1 A 43 43 VAL H H 43 8.025 8.206 -0.181 1
1 248 . 3 1 1 A 43 43 VAL HA H 43 3.848 3.665 0.183 1
1 249 . 3 1 1 A 43 43 VAL C C 43 178.333 178.216 0.117 1
1 250 . 3 1 1 A 43 43 VAL CA C 43 65.233 66.786 -1.553 1
1 251 . 3 1 1 A 43 43 VAL CB C 43 32.013 31.620 0.393 1
1 252 . 3 1 1 A 43 43 VAL N N 43 116.325 120.449 -4.124 1
1 253 . 3 1 1 A 44 44 THR H H 44 7.969 7.898 0.071 1
1 254 . 3 1 1 A 44 44 THR HA H 44 4.239 4.137 0.102 1
1 255 . 3 1 1 A 44 44 THR C C 44 177.224 176.508 0.716 1
1 256 . 3 1 1 A 44 44 THR CA C 44 65.189 66.058 -0.869 1
1 257 . 3 1 1 A 44 44 THR CB C 44 69.255 68.488 0.767 1
1 258 . 3 1 1 A 44 44 THR N N 44 113.656 111.990 1.666 1
1 259 . 3 1 1 A 45 45 ASP H H 45 8.195 7.255 0.940 1
1 260 . 3 1 1 A 45 45 ASP HA H 45 4.759 4.761 -0.002 1
1 261 . 3 1 1 A 45 45 ASP C C 45 176.240 176.232 0.008 1
1 262 . 3 1 1 A 45 45 ASP CA C 45 55.102 53.885 1.217 1
1 263 . 3 1 1 A 45 45 ASP CB C 45 39.325 40.979 -1.654 1
1 264 . 3 1 1 A 45 45 ASP N N 45 120.741 120.880 -0.139 1
1 265 . 3 1 1 A 46 46 GLY H H 46 8.193 7.712 0.481 1
1 266 . 3 1 1 A 46 46 GLY HA2 H 46 3.809 3.993 -0.184 1
1 267 . 3 1 1 A 46 46 GLY C C 46 177.272 175.300 1.972 1
1 268 . 3 1 1 A 46 46 GLY CA C 46 46.513 46.909 -0.396 1
1 269 . 3 1 1 A 46 46 GLY N N 46 108.690 108.168 0.522 1
1 270 . 3 1 1 A 47 47 PHE H H 47 8.371 8.134 0.237 1
1 271 . 3 1 1 A 47 47 PHE HA H 47 4.448 4.283 0.165 1
1 272 . 3 1 1 A 47 47 PHE C C 47 174.681 177.530 -2.849 1
1 273 . 3 1 1 A 47 47 PHE CA C 47 60.145 61.103 -0.958 1
1 274 . 3 1 1 A 47 47 PHE CB C 47 38.825 39.410 -0.585 1
1 275 . 3 1 1 A 47 47 PHE N N 47 119.504 120.913 -1.409 1
1 276 . 3 1 1 A 48 48 SER H H 48 8.160 8.526 -0.366 1
1 277 . 3 1 1 A 48 48 SER HA H 48 4.195 4.594 -0.399 1
1 278 . 3 1 1 A 48 48 SER C C 48 177.055 176.842 0.213 1
1 279 . 3 1 1 A 48 48 SER CA C 48 61.834 61.446 0.388 1
1 280 . 3 1 1 A 48 48 SER CB C 48 63.181 62.892 0.289 1
1 281 . 3 1 1 A 48 48 SER N N 48 113.986 114.092 -0.106 1
1 282 . 3 1 1 A 49 49 SER H H 49 8.050 8.138 -0.088 1
1 283 . 3 1 1 A 49 49 SER HA H 49 4.454 4.344 0.110 1
1 284 . 3 1 1 A 49 49 SER C C 49 176.526 175.717 0.809 1
1 285 . 3 1 1 A 49 49 SER CA C 49 61.217 61.482 -0.265 1
1 286 . 3 1 1 A 49 49 SER CB C 49 63.302 62.867 0.435 1
1 287 . 3 1 1 A 49 49 SER N N 49 116.779 116.784 -0.005 1
1 288 . 3 1 1 A 50 50 LEU H H 50 8.003 8.002 0.001 1
1 289 . 3 1 1 A 50 50 LEU HA H 50 4.293 3.976 0.317 1
1 290 . 3 1 1 A 50 50 LEU C C 50 175.754 179.162 -3.408 1
1 291 . 3 1 1 A 50 50 LEU CA C 50 58.134 56.939 1.195 1
1 292 . 3 1 1 A 50 50 LEU CB C 50 41.976 41.368 0.608 1
1 293 . 3 1 1 A 50 50 LEU N N 50 122.176 120.174 2.002 1
1 294 . 3 1 1 A 51 51 LYS H H 51 8.091 9.053 -0.962 1
1 295 . 3 1 1 A 51 51 LYS HA H 51 4.072 4.097 -0.025 1
1 296 . 3 1 1 A 51 51 LYS C C 51 178.459 178.338 0.121 1
1 297 . 3 1 1 A 51 51 LYS CA C 51 60.375 60.096 0.279 1
1 298 . 3 1 1 A 51 51 LYS CB C 51 32.156 32.295 -0.139 1
1 299 . 3 1 1 A 51 51 LYS N N 51 117.526 121.064 -3.538 1
1 300 . 3 1 1 A 52 52 ASP H H 52 7.915 8.110 -0.195 1
1 301 . 3 1 1 A 52 52 ASP HA H 52 4.594 4.320 0.274 1
1 302 . 3 1 1 A 52 52 ASP C C 52 178.854 178.179 0.675 1
1 303 . 3 1 1 A 52 52 ASP CA C 52 56.696 57.373 -0.677 1
1 304 . 3 1 1 A 52 52 ASP CB C 52 39.194 41.556 -2.362 1
1 305 . 3 1 1 A 52 52 ASP N N 52 119.070 119.276 -0.206 1
1 306 . 3 1 1 A 53 53 TYR H H 53 8.144 7.999 0.145 1
1 307 . 3 1 1 A 53 53 TYR HA H 53 4.630 4.232 0.398 1
1 308 . 3 1 1 A 53 53 TYR C C 53 178.269 178.746 -0.477 1
1 309 . 3 1 1 A 53 53 TYR CA C 53 60.692 60.397 0.295 1
1 310 . 3 1 1 A 53 53 TYR CB C 53 38.569 38.239 0.330 1
1 311 . 3 1 1 A 53 53 TYR N N 53 120.243 117.729 2.514 1
1 312 . 3 1 1 A 54 54 TRP H H 54 8.591 9.541 -0.950 1
1 313 . 3 1 1 A 54 54 TRP HA H 54 4.494 4.227 0.267 1
1 314 . 3 1 1 A 54 54 TRP C C 54 178.007 178.070 -0.063 1
1 315 . 3 1 1 A 54 54 TRP CA C 54 59.747 61.333 -1.586 1
1 316 . 3 1 1 A 54 54 TRP CB C 54 30.447 29.742 0.705 1
1 317 . 3 1 1 A 54 54 TRP N N 54 120.624 122.945 -2.321 1
1 318 . 3 1 1 A 55 55 SER H H 55 8.223 9.568 -1.345 1
1 319 . 3 1 1 A 55 55 SER HA H 55 3.906 3.982 -0.076 1
1 320 . 3 1 1 A 55 55 SER C C 55 176.913 177.030 -0.117 1
1 321 . 3 1 1 A 55 55 SER CA C 55 62.150 61.215 0.935 1
1 322 . 3 1 1 A 55 55 SER CB C 55 63.019 63.132 -0.113 1
1 323 . 3 1 1 A 55 55 SER N N 55 112.199 113.706 -1.507 1
1 324 . 3 1 1 A 56 56 THR H H 56 7.689 7.719 -0.030 1
1 325 . 3 1 1 A 56 56 THR HA H 56 4.104 3.819 0.285 1
1 326 . 3 1 1 A 56 56 THR C C 56 176.440 176.002 0.438 1
1 327 . 3 1 1 A 56 56 THR CA C 56 66.346 66.374 -0.028 1
1 328 . 3 1 1 A 56 56 THR CB C 56 68.858 68.469 0.389 1
1 329 . 3 1 1 A 56 56 THR N N 56 117.331 116.762 0.569 1
1 330 . 3 1 1 A 57 57 VAL H H 57 7.960 8.162 -0.202 1
1 331 . 3 1 1 A 57 57 VAL HA H 57 3.623 3.594 0.029 1
1 332 . 3 1 1 A 57 57 VAL C C 57 176.128 177.701 -1.573 1
1 333 . 3 1 1 A 57 57 VAL CA C 57 66.489 65.805 0.684 1
1 334 . 3 1 1 A 57 57 VAL CB C 57 31.829 31.563 0.266 1
1 335 . 3 1 1 A 57 57 VAL N N 57 121.777 120.118 1.659 1
1 336 . 3 1 1 A 58 58 LYS H H 58 8.100 7.658 0.442 1
1 337 . 3 1 1 A 58 58 LYS HA H 58 3.554 3.544 0.010 1
1 338 . 3 1 1 A 58 58 LYS C C 58 177.265 178.140 -0.875 1
1 339 . 3 1 1 A 58 58 LYS CA C 58 60.174 59.576 0.598 1
1 340 . 3 1 1 A 58 58 LYS CB C 58 31.373 31.701 -0.328 1
1 341 . 3 1 1 A 58 58 LYS N N 58 119.262 121.369 -2.107 1
1 342 . 3 1 1 A 59 59 ASP H H 59 7.826 7.663 0.163 1
1 343 . 3 1 1 A 59 59 ASP HA H 59 4.473 4.253 0.220 1
1 344 . 3 1 1 A 59 59 ASP C C 59 178.762 179.024 -0.262 1
1 345 . 3 1 1 A 59 59 ASP CA C 59 56.562 57.618 -1.056 1
1 346 . 3 1 1 A 59 59 ASP CB C 59 39.446 41.850 -2.404 1
1 347 . 3 1 1 A 59 59 ASP N N 59 117.771 119.265 -1.494 1
1 348 . 3 1 1 A 60 60 LYS H H 60 8.052 9.017 -0.965 1
1 349 . 3 1 1 A 60 60 LYS HA H 60 4.141 4.109 0.032 1
1 350 . 3 1 1 A 60 60 LYS C C 60 178.220 179.216 -0.996 1
1 351 . 3 1 1 A 60 60 LYS CA C 60 58.383 58.569 -0.186 1
1 352 . 3 1 1 A 60 60 LYS CB C 60 32.095 32.314 -0.219 1
1 353 . 3 1 1 A 60 60 LYS N N 60 119.850 119.350 0.500 1
1 354 . 3 1 1 A 61 61 PHE H H 61 8.301 8.485 -0.184 1
1 355 . 3 1 1 A 61 61 PHE HA H 61 4.337 4.232 0.105 1
1 356 . 3 1 1 A 61 61 PHE C C 61 178.462 177.849 0.613 1
1 357 . 3 1 1 A 61 61 PHE CA C 61 60.780 61.178 -0.398 1
1 358 . 3 1 1 A 61 61 PHE CB C 61 39.194 39.371 -0.177 1
1 359 . 3 1 1 A 61 61 PHE N N 61 118.056 120.992 -2.936 1
1 360 . 3 1 1 A 62 62 SER H H 62 8.160 8.364 -0.204 1
1 361 . 3 1 1 A 62 62 SER HA H 62 4.229 4.255 -0.026 1
1 362 . 3 1 1 A 62 62 SER C C 62 177.060 176.324 0.736 1
1 363 . 3 1 1 A 62 62 SER CA C 62 61.546 61.613 -0.067 1
1 364 . 3 1 1 A 62 62 SER CB C 62 63.368 63.072 0.296 1
1 365 . 3 1 1 A 62 62 SER N N 62 113.635 115.455 -1.820 1
1 366 . 3 1 1 A 63 63 GLU H H 63 7.847 8.223 -0.376 1
1 367 . 3 1 1 A 63 63 GLU HA H 63 4.200 4.116 0.084 1
1 368 . 3 1 1 A 63 63 GLU C C 63 175.917 179.105 -3.188 1
1 369 . 3 1 1 A 63 63 GLU CA C 63 57.833 59.144 -1.311 1
1 370 . 3 1 1 A 63 63 GLU CB C 63 28.314 29.109 -0.795 1
1 371 . 3 1 1 A 63 63 GLU N N 63 119.485 119.173 0.312 1
1 372 . 3 1 1 A 64 64 PHE H H 64 7.792 8.517 -0.725 1
1 373 . 3 1 1 A 64 64 PHE HA H 64 4.448 4.153 0.295 1
1 374 . 3 1 1 A 64 64 PHE C C 64 177.370 177.605 -0.235 1
1 375 . 3 1 1 A 64 64 PHE CA C 64 59.714 60.283 -0.569 1
1 376 . 3 1 1 A 64 64 PHE CB C 64 39.825 39.312 0.513 1
1 377 . 3 1 1 A 64 64 PHE N N 64 118.506 121.164 -2.658 1
1 378 . 3 1 1 A 65 65 TRP H H 65 7.776 7.917 -0.141 1
1 379 . 3 1 1 A 65 65 TRP HA H 65 4.524 4.008 0.516 1
1 380 . 3 1 1 A 65 65 TRP C C 65 175.868 175.898 -0.030 1
1 381 . 3 1 1 A 65 65 TRP CA C 65 57.472 60.103 -2.631 1
1 382 . 3 1 1 A 65 65 TRP CB C 65 30.031 29.724 0.307 1
1 383 . 3 1 1 A 65 65 TRP N N 65 118.247 120.888 -2.641 1
1 384 . 3 1 1 A 66 66 ASP H H 66 7.832 7.475 0.357 1
1 385 . 3 1 1 A 66 66 ASP HA H 66 4.708 4.632 0.076 1
1 386 . 3 1 1 A 66 66 ASP C C 66 175.345 175.111 0.234 1
1 387 . 3 1 1 A 66 66 ASP CA C 66 53.378 54.312 -0.934 1
1 388 . 3 1 1 A 66 66 ASP CB C 66 38.672 41.846 -3.174 1
1 389 . 3 1 1 A 66 66 ASP N N 66 119.198 117.920 1.278 1
1 390 . 3 1 1 A 67 67 LEU H H 67 7.877 8.628 -0.751 1
1 391 . 3 1 1 A 67 67 LEU HA H 67 4.346 4.807 -0.461 1
1 392 . 3 1 1 A 67 67 LEU C C 67 175.060 174.762 0.298 1
1 393 . 3 1 1 A 67 67 LEU CA C 67 55.458 52.234 3.224 1
1 394 . 3 1 1 A 67 67 LEU CB C 67 42.444 44.498 -2.054 1
1 395 . 3 1 1 A 67 67 LEU N N 67 121.856 122.417 -0.561 1
1 396 . 3 1 1 A 68 68 ASP H H 68 7.939 8.532 -0.593 1
1 397 . 3 1 1 A 68 68 ASP HA H 68 4.571 4.776 -0.205 1
1 398 . 3 1 1 A 68 68 ASP C C 68 176.528 176.870 -0.342 1
1 399 . 3 1 1 A 68 68 ASP CA C 68 54.086 52.992 1.094 1
1 400 . 3 1 1 A 68 68 ASP CB C 68 40.423 40.467 -0.044 1
1 401 . 3 1 1 A 68 68 ASP N N 68 122.966 122.073 0.893 1
1 402 . 3 1 1 A 69 69 PRO CA C 69 62.556 64.289 -1.733 1
1 403 . 3 1 1 A 69 69 PRO CB C 69 32.514 31.973 0.541 1
1 404 . 3 1 1 A 70 70 GLU H H 70 8.627 7.748 0.879 1
1 405 . 3 1 1 A 70 70 GLU HA H 70 4.532 4.817 -0.285 1
1 406 . 3 1 1 A 70 70 GLU C C 70 172.210 174.455 -2.245 1
1 407 . 3 1 1 A 70 70 GLU CA C 70 56.488 55.305 1.183 1
1 408 . 3 1 1 A 70 70 GLU CB C 70 29.544 32.520 -2.976 1
1 409 . 3 1 1 A 70 70 GLU N N 70 120.105 116.933 3.172 1
1 410 . 3 1 1 A 71 71 VAL H H 71 7.826 8.783 -0.957 1
1 411 . 3 1 1 A 71 71 VAL HA H 71 4.210 4.536 -0.326 1
1 412 . 3 1 1 A 71 71 VAL C C 71 175.329 174.522 0.807 1
1 413 . 3 1 1 A 71 71 VAL CA C 71 61.895 61.156 0.739 1
1 414 . 3 1 1 A 71 71 VAL CB C 71 33.096 32.342 0.754 1
1 415 . 3 1 1 A 71 71 VAL N N 71 119.356 127.104 -7.748 1
1 416 . 3 1 1 A 72 72 ARG H H 72 8.103 8.250 -0.147 1
1 417 . 3 1 1 A 72 72 ARG HA H 72 4.757 4.770 -0.013 1
1 418 . 3 1 1 A 72 72 ARG C C 72 174.732 175.682 -0.950 1
1 419 . 3 1 1 A 72 72 ARG CA C 72 53.719 52.845 0.874 1
1 420 . 3 1 1 A 72 72 ARG CB C 72 30.795 31.351 -0.556 1
1 421 . 3 1 1 A 72 72 ARG N N 72 122.861 127.804 -4.943 1
1 422 . 3 1 1 A 73 73 PRO CA C 73 64.693 64.310 0.383 1
1 423 . 3 1 1 A 73 73 PRO CB C 73 31.605 31.849 -0.244 1
1 424 . 3 1 1 A 74 74 THR H H 74 7.959 7.560 0.399 1
1 425 . 3 1 1 A 74 74 THR HA H 74 4.131 4.002 0.129 1
1 426 . 3 1 1 A 74 74 THR C C 74 176.913 175.750 1.163 1
1 427 . 3 1 1 A 74 74 THR CA C 74 64.309 65.380 -1.071 1
1 428 . 3 1 1 A 74 74 THR CB C 74 69.160 68.921 0.239 1
1 429 . 3 1 1 A 74 74 THR N N 74 110.152 112.351 -2.199 1
1 430 . 3 1 1 A 75 75 SER H H 75 7.997 8.236 -0.239 1
1 431 . 3 1 1 A 75 75 SER HA H 75 4.483 4.022 0.461 1
1 432 . 3 1 1 A 75 75 SER C C 75 176.093 176.970 -0.877 1
1 433 . 3 1 1 A 75 75 SER CA C 75 60.300 61.555 -1.255 1
1 434 . 3 1 1 A 75 75 SER CB C 75 63.327 62.943 0.384 1
1 435 . 3 1 1 A 75 75 SER N N 75 117.147 115.172 1.975 1
1 436 . 3 1 1 A 76 76 ALA H H 76 8.109 7.579 0.530 1
1 437 . 3 1 1 A 76 76 ALA HA H 76 4.219 4.074 0.145 1
1 438 . 3 1 1 A 76 76 ALA C C 76 175.737 179.860 -4.123 1
1 439 . 3 1 1 A 76 76 ALA CA C 76 54.932 55.287 -0.355 1
1 440 . 3 1 1 A 76 76 ALA CB C 76 18.773 18.567 0.206 1
1 441 . 3 1 1 A 76 76 ALA N N 76 124.803 123.600 1.203 1
1 442 . 3 1 1 A 77 77 VAL H H 77 7.798 8.083 -0.285 1
1 443 . 3 1 1 A 77 77 VAL HA H 77 3.682 3.810 -0.128 1
1 444 . 3 1 1 A 77 77 VAL C C 77 178.536 178.152 0.384 1
1 445 . 3 1 1 A 77 77 VAL CA C 77 66.335 65.099 1.236 1
1 446 . 3 1 1 A 77 77 VAL CB C 77 31.744 31.640 0.104 1
1 447 . 3 1 1 A 77 77 VAL N N 77 115.730 115.767 -0.037 1
1 448 . 3 1 1 A 78 78 ALA H H 78 7.832 7.936 -0.104 1
1 449 . 3 1 1 A 78 78 ALA HA H 78 4.115 4.198 -0.083 1
1 450 . 3 1 1 A 78 78 ALA C C 78 177.362 177.558 -0.196 1
1 451 . 3 1 1 A 78 78 ALA CA C 78 54.902 53.663 1.239 1
1 452 . 3 1 1 A 78 78 ALA CB C 78 18.311 18.644 -0.333 1
1 453 . 3 1 1 A 78 78 ALA N N 78 121.924 123.815 -1.891 1
1 3 . 4 1 1 A 2 2 GLU H H 2 8.776 7.756 1.020 1
1 4 . 4 1 1 A 2 2 GLU HA H 2 4.415 4.666 -0.251 1
1 5 . 4 1 1 A 2 2 GLU C C 2 171.203 175.026 -3.823 1
1 6 . 4 1 1 A 2 2 GLU CA C 2 56.971 55.209 1.762 1
1 7 . 4 1 1 A 2 2 GLU CB C 2 29.269 32.300 -3.031 1
1 8 . 4 1 1 A 2 2 GLU N N 2 121.323 114.742 6.581 1
1 9 . 4 1 1 A 3 3 ALA H H 3 8.283 8.614 -0.331 1
1 10 . 4 1 1 A 3 3 ALA HA H 3 4.317 4.247 0.070 1
1 11 . 4 1 1 A 3 3 ALA C C 3 176.007 177.998 -1.991 1
1 12 . 4 1 1 A 3 3 ALA CA C 3 53.244 53.011 0.233 1
1 13 . 4 1 1 A 3 3 ALA CB C 3 19.153 19.142 0.011 1
1 14 . 4 1 1 A 3 3 ALA N N 3 123.378 124.461 -1.083 1
1 15 . 4 1 1 A 4 4 GLU H H 4 8.109 8.856 -0.747 1
1 16 . 4 1 1 A 4 4 GLU HA H 4 4.366 4.190 0.176 1
1 17 . 4 1 1 A 4 4 GLU C C 4 177.975 178.053 -0.078 1
1 18 . 4 1 1 A 4 4 GLU CA C 4 56.850 59.112 -2.262 1
1 19 . 4 1 1 A 4 4 GLU CB C 4 29.078 29.400 -0.322 1
1 20 . 4 1 1 A 4 4 GLU N N 4 118.121 125.369 -7.248 1
1 21 . 4 1 1 A 5 5 ASP H H 5 8.201 8.004 0.197 1
1 22 . 4 1 1 A 5 5 ASP HA H 5 4.659 4.559 0.100 1
1 23 . 4 1 1 A 5 5 ASP C C 5 176.393 176.798 -0.405 1
1 24 . 4 1 1 A 5 5 ASP CA C 5 54.166 55.937 -1.771 1
1 25 . 4 1 1 A 5 5 ASP CB C 5 39.422 40.542 -1.120 1
1 26 . 4 1 1 A 5 5 ASP N N 5 119.089 118.513 0.576 1
1 27 . 4 1 1 A 6 6 ALA H H 6 8.045 7.430 0.615 1
1 28 . 4 1 1 A 6 6 ALA HA H 6 4.376 4.316 0.060 1
1 29 . 4 1 1 A 6 6 ALA C C 6 175.403 177.493 -2.090 1
1 30 . 4 1 1 A 6 6 ALA CA C 6 53.166 52.517 0.649 1
1 31 . 4 1 1 A 6 6 ALA CB C 6 19.232 19.579 -0.347 1
1 32 . 4 1 1 A 6 6 ALA N N 6 123.242 122.869 0.373 1
1 33 . 4 1 1 A 7 7 SER H H 7 8.168 8.963 -0.795 1
1 34 . 4 1 1 A 7 7 SER HA H 7 4.543 4.535 0.008 1
1 35 . 4 1 1 A 7 7 SER C C 7 177.957 175.674 2.283 1
1 36 . 4 1 1 A 7 7 SER CA C 7 59.090 58.532 0.558 1
1 37 . 4 1 1 A 7 7 SER CB C 7 64.084 64.180 -0.096 1
1 38 . 4 1 1 A 7 7 SER N N 7 115.046 115.935 -0.889 1
1 39 . 4 1 1 A 8 8 LEU H H 8 8.410 8.905 -0.495 1
1 40 . 4 1 1 A 8 8 LEU HA H 8 4.297 4.108 0.189 1
1 41 . 4 1 1 A 8 8 LEU C C 8 175.818 177.895 -2.077 1
1 42 . 4 1 1 A 8 8 LEU CA C 8 58.225 56.744 1.481 1
1 43 . 4 1 1 A 8 8 LEU CB C 8 42.057 41.518 0.539 1
1 44 . 4 1 1 A 8 8 LEU N N 8 124.101 124.596 -0.495 1
1 45 . 4 1 1 A 9 9 LEU H H 9 8.007 7.712 0.295 1
1 46 . 4 1 1 A 9 9 LEU HA H 9 4.245 4.239 0.006 1
1 47 . 4 1 1 A 9 9 LEU C C 9 178.573 179.000 -0.427 1
1 48 . 4 1 1 A 9 9 LEU CA C 9 57.976 55.909 2.067 1
1 49 . 4 1 1 A 9 9 LEU CB C 9 41.475 41.890 -0.415 1
1 50 . 4 1 1 A 9 9 LEU N N 9 117.546 118.880 -1.334 1
1 51 . 4 1 1 A 10 10 SER H H 10 7.979 8.497 -0.518 1
1 52 . 4 1 1 A 10 10 SER HA H 10 4.320 4.233 0.087 1
1 53 . 4 1 1 A 10 10 SER C C 10 178.812 176.378 2.434 1
1 54 . 4 1 1 A 10 10 SER CA C 10 61.538 61.350 0.188 1
1 55 . 4 1 1 A 10 10 SER CB C 10 62.776 62.559 0.217 1
1 56 . 4 1 1 A 10 10 SER N N 10 114.105 114.684 -0.579 1
1 57 . 4 1 1 A 11 11 PHE H H 11 8.046 8.452 -0.406 1
1 58 . 4 1 1 A 11 11 PHE HA H 11 4.439 4.036 0.403 1
1 59 . 4 1 1 A 11 11 PHE C C 11 177.370 177.065 0.305 1
1 60 . 4 1 1 A 11 11 PHE CA C 11 60.823 62.296 -1.473 1
1 61 . 4 1 1 A 11 11 PHE CB C 11 39.190 39.182 0.008 1
1 62 . 4 1 1 A 11 11 PHE N N 11 122.342 122.193 0.149 1
1 63 . 4 1 1 A 12 12 MET H H 12 8.260 8.260 0.000 1
1 64 . 4 1 1 A 12 12 MET HA H 12 4.303 3.965 0.338 1
1 65 . 4 1 1 A 12 12 MET C C 12 177.760 178.569 -0.809 1
1 66 . 4 1 1 A 12 12 MET CA C 12 58.034 58.663 -0.629 1
1 67 . 4 1 1 A 12 12 MET CB C 12 32.703 32.815 -0.112 1
1 68 . 4 1 1 A 12 12 MET N N 12 118.124 117.054 1.070 1
1 69 . 4 1 1 A 13 13 GLN H H 13 8.371 8.411 -0.040 1
1 70 . 4 1 1 A 13 13 GLN HA H 13 4.082 4.017 0.065 1
1 71 . 4 1 1 A 13 13 GLN C C 13 177.866 178.504 -0.638 1
1 72 . 4 1 1 A 13 13 GLN CA C 13 59.149 59.513 -0.364 1
1 73 . 4 1 1 A 13 13 GLN CB C 13 28.792 28.645 0.147 1
1 74 . 4 1 1 A 13 13 GLN N N 13 118.154 119.367 -1.213 1
1 75 . 4 1 1 A 14 14 GLY H H 14 8.029 8.228 -0.199 1
1 76 . 4 1 1 A 14 14 GLY HA2 H 14 3.916 3.654 0.262 1
1 77 . 4 1 1 A 14 14 GLY C C 14 178.079 175.308 2.771 1
1 78 . 4 1 1 A 14 14 GLY CA C 14 46.795 47.159 -0.364 1
1 79 . 4 1 1 A 14 14 GLY N N 14 106.304 106.779 -0.475 1
1 80 . 4 1 1 A 15 15 TYR H H 15 7.950 8.220 -0.270 1
1 81 . 4 1 1 A 15 15 TYR HA H 15 4.307 3.912 0.395 1
1 82 . 4 1 1 A 15 15 TYR C C 15 175.811 177.337 -1.526 1
1 83 . 4 1 1 A 15 15 TYR CA C 15 61.112 61.223 -0.111 1
1 84 . 4 1 1 A 15 15 TYR CB C 15 39.251 38.751 0.500 1
1 85 . 4 1 1 A 15 15 TYR N N 15 121.528 123.438 -1.910 1
1 86 . 4 1 1 A 16 16 MET H H 16 8.199 8.080 0.119 1
1 87 . 4 1 1 A 16 16 MET HA H 16 4.307 4.122 0.185 1
1 88 . 4 1 1 A 16 16 MET C C 16 177.685 178.263 -0.578 1
1 89 . 4 1 1 A 16 16 MET CA C 16 57.476 58.344 -0.868 1
1 90 . 4 1 1 A 16 16 MET CB C 16 32.342 31.746 0.596 1
1 91 . 4 1 1 A 16 16 MET N N 16 117.173 117.023 0.150 1
1 92 . 4 1 1 A 17 17 LYS H H 17 7.924 7.570 0.354 1
1 93 . 4 1 1 A 17 17 LYS HA H 17 4.190 4.002 0.188 1
1 94 . 4 1 1 A 17 17 LYS C C 17 177.849 178.941 -1.092 1
1 95 . 4 1 1 A 17 17 LYS CA C 17 58.393 59.190 -0.797 1
1 96 . 4 1 1 A 17 17 LYS CB C 17 32.311 32.225 0.086 1
1 97 . 4 1 1 A 17 17 LYS N N 17 118.640 119.406 -0.766 1
1 98 . 4 1 1 A 18 18 HIS H H 18 7.889 8.613 -0.724 1
1 99 . 4 1 1 A 18 18 HIS HA H 18 4.542 4.120 0.422 1
1 100 . 4 1 1 A 18 18 HIS C C 18 177.796 177.167 0.629 1
1 101 . 4 1 1 A 18 18 HIS CA C 18 56.698 59.245 -2.547 1
1 102 . 4 1 1 A 18 18 HIS CB C 18 28.505 29.896 -1.391 1
1 103 . 4 1 1 A 18 18 HIS N N 18 116.031 119.858 -3.827 1
1 104 . 4 1 1 A 19 19 ALA H H 19 8.144 8.950 -0.806 1
1 105 . 4 1 1 A 19 19 ALA HA H 19 4.282 3.706 0.576 1
1 106 . 4 1 1 A 19 19 ALA C C 19 178.213 179.217 -1.004 1
1 107 . 4 1 1 A 19 19 ALA CA C 19 54.166 54.498 -0.332 1
1 108 . 4 1 1 A 19 19 ALA CB C 19 19.133 18.080 1.053 1
1 109 . 4 1 1 A 19 19 ALA N N 19 123.402 120.646 2.756 1
1 110 . 4 1 1 A 20 20 THR H H 20 8.186 7.283 0.903 1
1 111 . 4 1 1 A 20 20 THR HA H 20 4.128 3.920 0.208 1
1 112 . 4 1 1 A 20 20 THR C C 20 178.380 176.029 2.351 1
1 113 . 4 1 1 A 20 20 THR CA C 20 64.460 65.503 -1.043 1
1 114 . 4 1 1 A 20 20 THR CB C 20 69.213 68.475 0.738 1
1 115 . 4 1 1 A 20 20 THR N N 20 111.155 114.218 -3.063 1
1 116 . 4 1 1 A 21 21 LYS H H 21 7.715 8.470 -0.755 1
1 117 . 4 1 1 A 21 21 LYS HA H 21 4.349 3.917 0.432 1
1 118 . 4 1 1 A 21 21 LYS C C 21 175.517 179.364 -3.847 1
1 119 . 4 1 1 A 21 21 LYS CA C 21 58.000 59.067 -1.067 1
1 120 . 4 1 1 A 21 21 LYS CB C 21 32.848 31.773 1.075 1
1 121 . 4 1 1 A 21 21 LYS N N 21 121.662 121.528 0.134 1
1 122 . 4 1 1 A 22 22 THR H H 22 8.000 7.887 0.113 1
1 123 . 4 1 1 A 22 22 THR HA H 22 4.297 4.134 0.163 1
1 124 . 4 1 1 A 22 22 THR C C 22 177.240 176.634 0.606 1
1 125 . 4 1 1 A 22 22 THR CA C 22 64.040 64.474 -0.434 1
1 126 . 4 1 1 A 22 22 THR CB C 22 69.733 68.493 1.240 1
1 127 . 4 1 1 A 22 22 THR N N 22 113.812 113.765 0.047 1
1 128 . 4 1 1 A 23 23 ALA H H 23 8.412 7.676 0.736 1
1 129 . 4 1 1 A 23 23 ALA HA H 23 4.122 3.967 0.155 1
1 130 . 4 1 1 A 23 23 ALA C C 23 175.964 179.926 -3.962 1
1 131 . 4 1 1 A 23 23 ALA CA C 23 55.316 55.504 -0.188 1
1 132 . 4 1 1 A 23 23 ALA CB C 23 18.618 18.355 0.263 1
1 133 . 4 1 1 A 23 23 ALA N N 23 123.778 125.829 -2.051 1
1 134 . 4 1 1 A 24 24 LYS H H 24 8.205 7.716 0.489 1
1 135 . 4 1 1 A 24 24 LYS HA H 24 3.975 3.922 0.053 1
1 136 . 4 1 1 A 24 24 LYS C C 24 178.579 178.702 -0.123 1
1 137 . 4 1 1 A 24 24 LYS CA C 24 59.821 59.410 0.411 1
1 138 . 4 1 1 A 24 24 LYS CB C 24 32.287 32.115 0.172 1
1 139 . 4 1 1 A 24 24 LYS N N 24 116.572 117.371 -0.799 1
1 140 . 4 1 1 A 25 25 ASP H H 25 8.162 8.372 -0.210 1
1 141 . 4 1 1 A 25 25 ASP HA H 25 4.633 4.323 0.310 1
1 142 . 4 1 1 A 25 25 ASP C C 25 178.849 178.886 -0.037 1
1 143 . 4 1 1 A 25 25 ASP CA C 25 56.667 57.382 -0.715 1
1 144 . 4 1 1 A 25 25 ASP CB C 25 39.431 40.177 -0.746 1
1 145 . 4 1 1 A 25 25 ASP N N 25 119.217 119.016 0.201 1
1 146 . 4 1 1 A 26 26 ALA H H 26 8.144 8.226 -0.082 1
1 147 . 4 1 1 A 26 26 ALA HA H 26 4.297 4.110 0.187 1
1 148 . 4 1 1 A 26 26 ALA C C 26 175.378 179.944 -4.566 1
1 149 . 4 1 1 A 26 26 ALA CA C 26 54.877 54.934 -0.057 1
1 150 . 4 1 1 A 26 26 ALA CB C 26 18.648 18.136 0.512 1
1 151 . 4 1 1 A 26 26 ALA N N 26 123.402 122.753 0.649 1
1 152 . 4 1 1 A 27 27 LEU H H 27 8.203 9.749 -1.546 1
1 153 . 4 1 1 A 27 27 LEU HA H 27 4.149 3.885 0.264 1
1 154 . 4 1 1 A 27 27 LEU C C 27 179.408 179.248 0.160 1
1 155 . 4 1 1 A 27 27 LEU CA C 27 57.457 58.092 -0.635 1
1 156 . 4 1 1 A 27 27 LEU CB C 27 41.794 41.231 0.563 1
1 157 . 4 1 1 A 27 27 LEU N N 27 117.567 119.291 -1.724 1
1 158 . 4 1 1 A 28 28 SER H H 28 8.010 8.614 -0.604 1
1 159 . 4 1 1 A 28 28 SER HA H 28 4.348 4.255 0.093 1
1 160 . 4 1 1 A 28 28 SER C C 28 178.515 176.269 2.246 1
1 161 . 4 1 1 A 28 28 SER CA C 28 61.275 61.666 -0.391 1
1 162 . 4 1 1 A 28 28 SER CB C 28 63.339 62.771 0.568 1
1 163 . 4 1 1 A 28 28 SER N N 28 113.313 113.976 -0.663 1
1 164 . 4 1 1 A 29 29 SER H H 29 7.899 7.957 -0.058 1
1 165 . 4 1 1 A 29 29 SER HA H 29 4.483 4.356 0.127 1
1 166 . 4 1 1 A 29 29 SER C C 29 176.227 175.549 0.678 1
1 167 . 4 1 1 A 29 29 SER CA C 29 60.684 60.299 0.385 1
1 168 . 4 1 1 A 29 29 SER CB C 29 63.720 63.083 0.637 1
1 169 . 4 1 1 A 29 29 SER N N 29 116.193 116.753 -0.560 1
1 170 . 4 1 1 A 30 30 VAL H H 30 7.832 8.139 -0.307 1
1 171 . 4 1 1 A 30 30 VAL HA H 30 4.131 3.931 0.200 1
1 172 . 4 1 1 A 30 30 VAL C C 30 175.982 176.883 -0.901 1
1 173 . 4 1 1 A 30 30 VAL CA C 30 64.518 64.290 0.228 1
1 174 . 4 1 1 A 30 30 VAL CB C 30 32.102 31.574 0.528 1
1 175 . 4 1 1 A 30 30 VAL N N 30 120.035 120.166 -0.131 1
1 176 . 4 1 1 A 31 31 GLN H H 31 8.252 8.176 0.076 1
1 177 . 4 1 1 A 31 31 GLN HA H 31 4.222 4.049 0.173 1
1 178 . 4 1 1 A 31 31 GLN C C 31 177.403 177.729 -0.326 1
1 179 . 4 1 1 A 31 31 GLN CA C 31 57.904 58.258 -0.354 1
1 180 . 4 1 1 A 31 31 GLN CB C 31 29.119 28.756 0.363 1
1 181 . 4 1 1 A 31 31 GLN N N 31 120.710 122.151 -1.441 1
1 182 . 4 1 1 A 32 32 GLU H H 32 8.049 8.093 -0.044 1
1 183 . 4 1 1 A 32 32 GLU HA H 32 4.320 4.287 0.033 1
1 184 . 4 1 1 A 32 32 GLU C C 32 176.734 178.915 -2.181 1
1 185 . 4 1 1 A 32 32 GLU CA C 32 57.116 58.637 -1.521 1
1 186 . 4 1 1 A 32 32 GLU CB C 32 28.505 29.124 -0.619 1
1 187 . 4 1 1 A 32 32 GLU N N 32 117.872 118.536 -0.664 1
1 188 . 4 1 1 A 33 33 SER H H 33 7.973 9.597 -1.624 1
1 189 . 4 1 1 A 33 33 SER HA H 33 4.454 4.193 0.261 1
1 190 . 4 1 1 A 33 33 SER C C 33 176.505 176.808 -0.303 1
1 191 . 4 1 1 A 33 33 SER CA C 33 59.379 60.849 -1.470 1
1 192 . 4 1 1 A 33 33 SER CB C 33 64.359 63.144 1.215 1
1 193 . 4 1 1 A 33 33 SER N N 33 115.021 115.358 -0.337 1
1 194 . 4 1 1 A 34 34 GLN H H 34 8.379 7.788 0.591 1
1 195 . 4 1 1 A 34 34 GLN HA H 34 4.249 4.202 0.047 1
1 196 . 4 1 1 A 34 34 GLN C C 34 175.446 178.254 -2.808 1
1 197 . 4 1 1 A 34 34 GLN CA C 34 58.287 57.940 0.347 1
1 198 . 4 1 1 A 34 34 GLN CB C 34 28.507 28.980 -0.473 1
1 199 . 4 1 1 A 34 34 GLN N N 34 121.821 121.363 0.458 1
1 200 . 4 1 1 A 35 35 VAL H H 35 7.885 7.879 0.006 1
1 201 . 4 1 1 A 35 35 VAL HA H 35 3.890 3.771 0.119 1
1 202 . 4 1 1 A 35 35 VAL C C 35 178.220 176.929 1.291 1
1 203 . 4 1 1 A 35 35 VAL CA C 35 65.572 64.540 1.032 1
1 204 . 4 1 1 A 35 35 VAL CB C 35 31.809 31.516 0.293 1
1 205 . 4 1 1 A 35 35 VAL N N 35 118.193 118.174 0.019 1
1 206 . 4 1 1 A 36 36 ALA H H 36 7.941 7.755 0.186 1
1 207 . 4 1 1 A 36 36 ALA HA H 36 4.017 3.877 0.140 1
1 208 . 4 1 1 A 36 36 ALA C C 36 175.366 179.656 -4.290 1
1 209 . 4 1 1 A 36 36 ALA CA C 36 55.299 55.391 -0.092 1
1 210 . 4 1 1 A 36 36 ALA CB C 36 18.710 18.509 0.201 1
1 211 . 4 1 1 A 36 36 ALA N N 36 121.942 123.976 -2.034 1
1 212 . 4 1 1 A 37 37 GLN H H 37 7.771 7.679 0.092 1
1 213 . 4 1 1 A 37 37 GLN HA H 37 4.072 3.980 0.092 1
1 214 . 4 1 1 A 37 37 GLN C C 37 179.036 177.823 1.213 1
1 215 . 4 1 1 A 37 37 GLN CA C 37 58.656 58.540 0.116 1
1 216 . 4 1 1 A 37 37 GLN CB C 37 28.583 28.314 0.269 1
1 217 . 4 1 1 A 37 37 GLN N N 37 115.154 116.509 -1.355 1
1 218 . 4 1 1 A 38 38 GLN H H 38 8.057 7.717 0.340 1
1 219 . 4 1 1 A 38 38 GLN HA H 38 4.161 3.896 0.265 1
1 220 . 4 1 1 A 38 38 GLN C C 38 178.965 177.200 1.765 1
1 221 . 4 1 1 A 38 38 GLN CA C 38 57.879 58.498 -0.619 1
1 222 . 4 1 1 A 38 38 GLN CB C 38 28.936 28.881 0.055 1
1 223 . 4 1 1 A 38 38 GLN N N 38 119.273 119.218 0.055 1
1 224 . 4 1 1 A 39 39 ALA H H 39 8.226 7.810 0.416 1
1 225 . 4 1 1 A 39 39 ALA HA H 39 3.878 1.671 2.207 1
1 226 . 4 1 1 A 39 39 ALA C C 39 178.002 178.909 -0.907 1
1 227 . 4 1 1 A 39 39 ALA CA C 39 54.780 53.867 0.913 1
1 228 . 4 1 1 A 39 39 ALA CB C 39 18.626 17.859 0.767 1
1 229 . 4 1 1 A 39 39 ALA N N 39 121.849 120.581 1.268 1
1 230 . 4 1 1 A 40 40 ARG H H 40 8.078 8.385 -0.307 1
1 231 . 4 1 1 A 40 40 ARG HA H 40 4.519 3.820 0.699 1
1 232 . 4 1 1 A 40 40 ARG C C 40 178.581 178.586 -0.005 1
1 233 . 4 1 1 A 40 40 ARG CA C 40 59.438 59.185 0.253 1
1 234 . 4 1 1 A 40 40 ARG CB C 40 30.064 30.288 -0.224 1
1 235 . 4 1 1 A 40 40 ARG N N 40 116.166 118.578 -2.412 1
1 236 . 4 1 1 A 41 41 GLY H H 41 7.962 8.598 -0.636 1
1 237 . 4 1 1 A 41 41 GLY HA2 H 41 3.965 3.536 0.429 1
1 238 . 4 1 1 A 41 41 GLY C C 41 178.678 175.831 2.847 1
1 239 . 4 1 1 A 41 41 GLY CA C 41 46.734 47.187 -0.453 1
1 240 . 4 1 1 A 41 41 GLY N N 41 106.758 106.350 0.408 1
1 241 . 4 1 1 A 42 42 TRP H H 42 7.941 7.121 0.820 1
1 242 . 4 1 1 A 42 42 TRP HA H 42 4.027 4.550 -0.523 1
1 243 . 4 1 1 A 42 42 TRP C C 42 176.967 178.818 -1.851 1
1 244 . 4 1 1 A 42 42 TRP CA C 42 59.749 59.832 -0.083 1
1 245 . 4 1 1 A 42 42 TRP CB C 42 29.555 29.208 0.347 1
1 246 . 4 1 1 A 42 42 TRP N N 42 121.942 122.383 -0.441 1
1 247 . 4 1 1 A 43 43 VAL H H 43 8.025 7.789 0.236 1
1 248 . 4 1 1 A 43 43 VAL HA H 43 3.848 3.916 -0.068 1
1 249 . 4 1 1 A 43 43 VAL C C 43 178.333 177.853 0.480 1
1 250 . 4 1 1 A 43 43 VAL CA C 43 65.233 65.625 -0.392 1
1 251 . 4 1 1 A 43 43 VAL CB C 43 32.013 31.479 0.534 1
1 252 . 4 1 1 A 43 43 VAL N N 43 116.325 118.810 -2.485 1
1 253 . 4 1 1 A 44 44 THR H H 44 7.969 8.613 -0.644 1
1 254 . 4 1 1 A 44 44 THR HA H 44 4.239 4.092 0.147 1
1 255 . 4 1 1 A 44 44 THR C C 44 177.224 176.343 0.881 1
1 256 . 4 1 1 A 44 44 THR CA C 44 65.189 66.058 -0.869 1
1 257 . 4 1 1 A 44 44 THR CB C 44 69.255 68.310 0.945 1
1 258 . 4 1 1 A 44 44 THR N N 44 113.656 113.724 -0.068 1
1 259 . 4 1 1 A 45 45 ASP H H 45 8.195 7.817 0.378 1
1 260 . 4 1 1 A 45 45 ASP HA H 45 4.759 4.773 -0.014 1
1 261 . 4 1 1 A 45 45 ASP C C 45 176.240 176.272 -0.032 1
1 262 . 4 1 1 A 45 45 ASP CA C 45 55.102 53.995 1.107 1
1 263 . 4 1 1 A 45 45 ASP CB C 45 39.325 41.118 -1.793 1
1 264 . 4 1 1 A 45 45 ASP N N 45 120.741 120.966 -0.225 1
1 265 . 4 1 1 A 46 46 GLY H H 46 8.193 8.121 0.072 1
1 266 . 4 1 1 A 46 46 GLY HA2 H 46 3.809 3.967 -0.158 1
1 267 . 4 1 1 A 46 46 GLY C C 46 177.272 175.549 1.723 1
1 268 . 4 1 1 A 46 46 GLY CA C 46 46.513 46.946 -0.433 1
1 269 . 4 1 1 A 46 46 GLY N N 46 108.690 108.140 0.550 1
1 270 . 4 1 1 A 47 47 PHE H H 47 8.371 8.539 -0.168 1
1 271 . 4 1 1 A 47 47 PHE HA H 47 4.448 4.249 0.199 1
1 272 . 4 1 1 A 47 47 PHE C C 47 174.681 177.596 -2.915 1
1 273 . 4 1 1 A 47 47 PHE CA C 47 60.145 59.902 0.243 1
1 274 . 4 1 1 A 47 47 PHE CB C 47 38.825 37.885 0.940 1
1 275 . 4 1 1 A 47 47 PHE N N 47 119.504 120.339 -0.835 1
1 276 . 4 1 1 A 48 48 SER H H 48 8.160 7.842 0.318 1
1 277 . 4 1 1 A 48 48 SER HA H 48 4.195 3.388 0.807 1
1 278 . 4 1 1 A 48 48 SER C C 48 177.055 176.551 0.504 1
1 279 . 4 1 1 A 48 48 SER CA C 48 61.834 61.596 0.238 1
1 280 . 4 1 1 A 48 48 SER CB C 48 63.181 62.980 0.201 1
1 281 . 4 1 1 A 48 48 SER N N 48 113.986 117.532 -3.546 1
1 282 . 4 1 1 A 49 49 SER H H 49 8.050 8.266 -0.216 1
1 283 . 4 1 1 A 49 49 SER HA H 49 4.454 4.412 0.042 1
1 284 . 4 1 1 A 49 49 SER C C 49 176.526 176.717 -0.191 1
1 285 . 4 1 1 A 49 49 SER CA C 49 61.217 60.682 0.535 1
1 286 . 4 1 1 A 49 49 SER CB C 49 63.302 62.900 0.402 1
1 287 . 4 1 1 A 49 49 SER N N 49 116.779 115.899 0.880 1
1 288 . 4 1 1 A 50 50 LEU H H 50 8.003 8.134 -0.131 1
1 289 . 4 1 1 A 50 50 LEU HA H 50 4.293 4.076 0.217 1
1 290 . 4 1 1 A 50 50 LEU C C 50 175.754 177.814 -2.060 1
1 291 . 4 1 1 A 50 50 LEU CA C 50 58.134 56.910 1.224 1
1 292 . 4 1 1 A 50 50 LEU CB C 50 41.976 41.878 0.098 1
1 293 . 4 1 1 A 50 50 LEU N N 50 122.176 122.014 0.162 1
1 294 . 4 1 1 A 51 51 LYS H H 51 8.091 8.550 -0.459 1
1 295 . 4 1 1 A 51 51 LYS HA H 51 4.072 3.912 0.160 1
1 296 . 4 1 1 A 51 51 LYS C C 51 178.459 178.038 0.421 1
1 297 . 4 1 1 A 51 51 LYS CA C 51 60.375 59.812 0.563 1
1 298 . 4 1 1 A 51 51 LYS CB C 51 32.156 32.346 -0.190 1
1 299 . 4 1 1 A 51 51 LYS N N 51 117.526 119.338 -1.812 1
1 300 . 4 1 1 A 52 52 ASP H H 52 7.915 8.351 -0.436 1
1 301 . 4 1 1 A 52 52 ASP HA H 52 4.594 4.559 0.035 1
1 302 . 4 1 1 A 52 52 ASP C C 52 178.854 178.181 0.673 1
1 303 . 4 1 1 A 52 52 ASP CA C 52 56.696 56.986 -0.290 1
1 304 . 4 1 1 A 52 52 ASP CB C 52 39.194 40.182 -0.988 1
1 305 . 4 1 1 A 52 52 ASP N N 52 119.070 117.745 1.325 1
1 306 . 4 1 1 A 53 53 TYR H H 53 8.144 7.679 0.465 1
1 307 . 4 1 1 A 53 53 TYR HA H 53 4.630 4.278 0.352 1
1 308 . 4 1 1 A 53 53 TYR C C 53 178.269 177.451 0.818 1
1 309 . 4 1 1 A 53 53 TYR CA C 53 60.692 61.509 -0.817 1
1 310 . 4 1 1 A 53 53 TYR CB C 53 38.569 38.579 -0.010 1
1 311 . 4 1 1 A 53 53 TYR N N 53 120.243 120.897 -0.654 1
1 312 . 4 1 1 A 54 54 TRP H H 54 8.591 8.528 0.063 1
1 313 . 4 1 1 A 54 54 TRP HA H 54 4.494 4.279 0.215 1
1 314 . 4 1 1 A 54 54 TRP C C 54 178.007 179.024 -1.017 1
1 315 . 4 1 1 A 54 54 TRP CA C 54 59.747 60.468 -0.721 1
1 316 . 4 1 1 A 54 54 TRP CB C 54 30.447 28.608 1.839 1
1 317 . 4 1 1 A 54 54 TRP N N 54 120.624 120.024 0.600 1
1 318 . 4 1 1 A 55 55 SER H H 55 8.223 10.098 -1.875 1
1 319 . 4 1 1 A 55 55 SER HA H 55 3.906 4.336 -0.430 1
1 320 . 4 1 1 A 55 55 SER C C 55 176.913 177.015 -0.102 1
1 321 . 4 1 1 A 55 55 SER CA C 55 62.150 61.628 0.522 1
1 322 . 4 1 1 A 55 55 SER CB C 55 63.019 62.421 0.598 1
1 323 . 4 1 1 A 55 55 SER N N 55 112.199 114.796 -2.597 1
1 324 . 4 1 1 A 56 56 THR H H 56 7.689 7.818 -0.129 1
1 325 . 4 1 1 A 56 56 THR HA H 56 4.104 3.876 0.228 1
1 326 . 4 1 1 A 56 56 THR C C 56 176.440 176.040 0.400 1
1 327 . 4 1 1 A 56 56 THR CA C 56 66.346 66.386 -0.040 1
1 328 . 4 1 1 A 56 56 THR CB C 56 68.858 68.493 0.365 1
1 329 . 4 1 1 A 56 56 THR N N 56 117.331 116.549 0.782 1
1 330 . 4 1 1 A 57 57 VAL H H 57 7.960 7.727 0.233 1
1 331 . 4 1 1 A 57 57 VAL HA H 57 3.623 3.412 0.211 1
1 332 . 4 1 1 A 57 57 VAL C C 57 176.128 177.800 -1.672 1
1 333 . 4 1 1 A 57 57 VAL CA C 57 66.489 66.639 -0.150 1
1 334 . 4 1 1 A 57 57 VAL CB C 57 31.829 31.180 0.649 1
1 335 . 4 1 1 A 57 57 VAL N N 57 121.777 120.623 1.154 1
1 336 . 4 1 1 A 58 58 LYS H H 58 8.100 7.940 0.160 1
1 337 . 4 1 1 A 58 58 LYS HA H 58 3.554 3.803 -0.249 1
1 338 . 4 1 1 A 58 58 LYS C C 58 177.265 178.277 -1.012 1
1 339 . 4 1 1 A 58 58 LYS CA C 58 60.174 59.956 0.218 1
1 340 . 4 1 1 A 58 58 LYS CB C 58 31.373 32.293 -0.920 1
1 341 . 4 1 1 A 58 58 LYS N N 58 119.262 120.160 -0.898 1
1 342 . 4 1 1 A 59 59 ASP H H 59 7.826 8.192 -0.366 1
1 343 . 4 1 1 A 59 59 ASP HA H 59 4.473 4.300 0.173 1
1 344 . 4 1 1 A 59 59 ASP C C 59 178.762 179.065 -0.303 1
1 345 . 4 1 1 A 59 59 ASP CA C 59 56.562 57.616 -1.054 1
1 346 . 4 1 1 A 59 59 ASP CB C 59 39.446 41.854 -2.408 1
1 347 . 4 1 1 A 59 59 ASP N N 59 117.771 119.388 -1.617 1
1 348 . 4 1 1 A 60 60 LYS H H 60 8.052 9.420 -1.368 1
1 349 . 4 1 1 A 60 60 LYS HA H 60 4.141 4.124 0.017 1
1 350 . 4 1 1 A 60 60 LYS C C 60 178.220 179.212 -0.992 1
1 351 . 4 1 1 A 60 60 LYS CA C 60 58.383 58.577 -0.194 1
1 352 . 4 1 1 A 60 60 LYS CB C 60 32.095 32.293 -0.198 1
1 353 . 4 1 1 A 60 60 LYS N N 60 119.850 119.417 0.433 1
1 354 . 4 1 1 A 61 61 PHE H H 61 8.301 8.373 -0.072 1
1 355 . 4 1 1 A 61 61 PHE HA H 61 4.337 4.169 0.168 1
1 356 . 4 1 1 A 61 61 PHE C C 61 178.462 177.852 0.610 1
1 357 . 4 1 1 A 61 61 PHE CA C 61 60.780 61.169 -0.389 1
1 358 . 4 1 1 A 61 61 PHE CB C 61 39.194 39.352 -0.158 1
1 359 . 4 1 1 A 61 61 PHE N N 61 118.056 120.995 -2.939 1
1 360 . 4 1 1 A 62 62 SER H H 62 8.160 8.228 -0.068 1
1 361 . 4 1 1 A 62 62 SER HA H 62 4.229 4.157 0.072 1
1 362 . 4 1 1 A 62 62 SER C C 62 177.060 177.161 -0.101 1
1 363 . 4 1 1 A 62 62 SER CA C 62 61.546 61.719 -0.173 1
1 364 . 4 1 1 A 62 62 SER CB C 62 63.368 62.999 0.369 1
1 365 . 4 1 1 A 62 62 SER N N 62 113.635 114.303 -0.668 1
1 366 . 4 1 1 A 63 63 GLU H H 63 7.847 8.189 -0.342 1
1 367 . 4 1 1 A 63 63 GLU HA H 63 4.200 4.150 0.050 1
1 368 . 4 1 1 A 63 63 GLU C C 63 175.917 179.649 -3.732 1
1 369 . 4 1 1 A 63 63 GLU CA C 63 57.833 59.100 -1.267 1
1 370 . 4 1 1 A 63 63 GLU CB C 63 28.314 29.249 -0.935 1
1 371 . 4 1 1 A 63 63 GLU N N 63 119.485 121.664 -2.179 1
1 372 . 4 1 1 A 64 64 PHE H H 64 7.792 8.378 -0.586 1
1 373 . 4 1 1 A 64 64 PHE HA H 64 4.448 4.117 0.331 1
1 374 . 4 1 1 A 64 64 PHE C C 64 177.370 177.726 -0.356 1
1 375 . 4 1 1 A 64 64 PHE CA C 64 59.714 60.483 -0.769 1
1 376 . 4 1 1 A 64 64 PHE CB C 64 39.825 39.386 0.439 1
1 377 . 4 1 1 A 64 64 PHE N N 64 118.506 120.282 -1.776 1
1 378 . 4 1 1 A 65 65 TRP H H 65 7.776 7.464 0.312 1
1 379 . 4 1 1 A 65 65 TRP HA H 65 4.524 4.048 0.476 1
1 380 . 4 1 1 A 65 65 TRP C C 65 175.868 175.874 -0.006 1
1 381 . 4 1 1 A 65 65 TRP CA C 65 57.472 60.275 -2.803 1
1 382 . 4 1 1 A 65 65 TRP CB C 65 30.031 29.889 0.142 1
1 383 . 4 1 1 A 65 65 TRP N N 65 118.247 120.922 -2.675 1
1 384 . 4 1 1 A 66 66 ASP H H 66 7.832 7.533 0.299 1
1 385 . 4 1 1 A 66 66 ASP HA H 66 4.708 4.492 0.216 1
1 386 . 4 1 1 A 66 66 ASP C C 66 175.345 175.014 0.331 1
1 387 . 4 1 1 A 66 66 ASP CA C 66 53.378 53.750 -0.372 1
1 388 . 4 1 1 A 66 66 ASP CB C 66 38.672 40.922 -2.250 1
1 389 . 4 1 1 A 66 66 ASP N N 66 119.198 118.039 1.159 1
1 390 . 4 1 1 A 67 67 LEU H H 67 7.877 8.446 -0.569 1
1 391 . 4 1 1 A 67 67 LEU HA H 67 4.346 4.560 -0.214 1
1 392 . 4 1 1 A 67 67 LEU C C 67 175.060 176.513 -1.453 1
1 393 . 4 1 1 A 67 67 LEU CA C 67 55.458 53.768 1.690 1
1 394 . 4 1 1 A 67 67 LEU CB C 67 42.444 42.379 0.065 1
1 395 . 4 1 1 A 67 67 LEU N N 67 121.856 125.495 -3.639 1
1 396 . 4 1 1 A 68 68 ASP H H 68 7.939 8.447 -0.508 1
1 397 . 4 1 1 A 68 68 ASP HA H 68 4.571 4.670 -0.099 1
1 398 . 4 1 1 A 68 68 ASP C C 68 176.528 176.115 0.413 1
1 399 . 4 1 1 A 68 68 ASP CA C 68 54.086 52.738 1.348 1
1 400 . 4 1 1 A 68 68 ASP CB C 68 40.423 40.268 0.155 1
1 401 . 4 1 1 A 68 68 ASP N N 68 122.966 120.415 2.551 1
1 402 . 4 1 1 A 69 69 PRO CA C 69 62.556 64.222 -1.666 1
1 403 . 4 1 1 A 69 69 PRO CB C 69 32.514 31.954 0.560 1
1 404 . 4 1 1 A 70 70 GLU H H 70 8.627 8.002 0.625 1
1 405 . 4 1 1 A 70 70 GLU HA H 70 4.532 4.703 -0.171 1
1 406 . 4 1 1 A 70 70 GLU C C 70 172.210 174.854 -2.644 1
1 407 . 4 1 1 A 70 70 GLU CA C 70 56.488 55.086 1.402 1
1 408 . 4 1 1 A 70 70 GLU CB C 70 29.544 31.689 -2.145 1
1 409 . 4 1 1 A 70 70 GLU N N 70 120.105 118.889 1.216 1
1 410 . 4 1 1 A 71 71 VAL H H 71 7.826 8.953 -1.127 1
1 411 . 4 1 1 A 71 71 VAL HA H 71 4.210 4.391 -0.181 1
1 412 . 4 1 1 A 71 71 VAL C C 71 175.329 175.265 0.064 1
1 413 . 4 1 1 A 71 71 VAL CA C 71 61.895 61.745 0.150 1
1 414 . 4 1 1 A 71 71 VAL CB C 71 33.096 31.120 1.976 1
1 415 . 4 1 1 A 71 71 VAL N N 71 119.356 125.830 -6.474 1
1 416 . 4 1 1 A 72 72 ARG H H 72 8.103 8.636 -0.533 1
1 417 . 4 1 1 A 72 72 ARG HA H 72 4.757 4.782 -0.025 1
1 418 . 4 1 1 A 72 72 ARG C C 72 174.732 175.054 -0.322 1
1 419 . 4 1 1 A 72 72 ARG CA C 72 53.719 52.474 1.245 1
1 420 . 4 1 1 A 72 72 ARG CB C 72 30.795 31.593 -0.798 1
1 421 . 4 1 1 A 72 72 ARG N N 72 122.861 127.835 -4.974 1
1 422 . 4 1 1 A 73 73 PRO CA C 73 64.693 64.460 0.233 1
1 423 . 4 1 1 A 73 73 PRO CB C 73 31.605 31.958 -0.353 1
1 424 . 4 1 1 A 74 74 THR H H 74 7.959 7.955 0.004 1
1 425 . 4 1 1 A 74 74 THR HA H 74 4.131 4.091 0.040 1
1 426 . 4 1 1 A 74 74 THR C C 74 176.913 176.826 0.087 1
1 427 . 4 1 1 A 74 74 THR CA C 74 64.309 65.298 -0.989 1
1 428 . 4 1 1 A 74 74 THR CB C 74 69.160 68.586 0.574 1
1 429 . 4 1 1 A 74 74 THR N N 74 110.152 111.451 -1.299 1
1 430 . 4 1 1 A 75 75 SER H H 75 7.997 8.216 -0.219 1
1 431 . 4 1 1 A 75 75 SER HA H 75 4.483 4.054 0.429 1
1 432 . 4 1 1 A 75 75 SER C C 75 176.093 176.315 -0.222 1
1 433 . 4 1 1 A 75 75 SER CA C 75 60.300 62.176 -1.876 1
1 434 . 4 1 1 A 75 75 SER CB C 75 63.327 62.692 0.635 1
1 435 . 4 1 1 A 75 75 SER N N 75 117.147 117.929 -0.782 1
1 436 . 4 1 1 A 76 76 ALA H H 76 8.109 7.785 0.324 1
1 437 . 4 1 1 A 76 76 ALA HA H 76 4.219 4.070 0.149 1
1 438 . 4 1 1 A 76 76 ALA C C 76 175.737 180.227 -4.490 1
1 439 . 4 1 1 A 76 76 ALA CA C 76 54.932 55.344 -0.412 1
1 440 . 4 1 1 A 76 76 ALA CB C 76 18.773 18.578 0.195 1
1 441 . 4 1 1 A 76 76 ALA N N 76 124.803 123.430 1.373 1
1 442 . 4 1 1 A 77 77 VAL H H 77 7.798 7.662 0.136 1
1 443 . 4 1 1 A 77 77 VAL HA H 77 3.682 3.489 0.193 1
1 444 . 4 1 1 A 77 77 VAL C C 77 178.536 178.254 0.282 1
1 445 . 4 1 1 A 77 77 VAL CA C 77 66.335 66.526 -0.191 1
1 446 . 4 1 1 A 77 77 VAL CB C 77 31.744 31.645 0.099 1
1 447 . 4 1 1 A 77 77 VAL N N 77 115.730 117.882 -2.152 1
1 448 . 4 1 1 A 78 78 ALA H H 78 7.832 7.985 -0.153 1
1 449 . 4 1 1 A 78 78 ALA HA H 78 4.115 4.197 -0.082 1
1 450 . 4 1 1 A 78 78 ALA C C 78 177.362 177.568 -0.206 1
1 451 . 4 1 1 A 78 78 ALA CA C 78 54.902 53.611 1.291 1
1 452 . 4 1 1 A 78 78 ALA CB C 78 18.311 18.639 -0.328 1
1 453 . 4 1 1 A 78 78 ALA N N 78 121.924 120.802 1.122 1
1 3 . 5 1 1 A 2 2 GLU H H 2 8.776 7.596 1.180 1
1 4 . 5 1 1 A 2 2 GLU HA H 2 4.415 4.698 -0.283 1
1 5 . 5 1 1 A 2 2 GLU C C 2 171.203 174.307 -3.104 1
1 6 . 5 1 1 A 2 2 GLU CA C 2 56.971 56.091 0.880 1
1 7 . 5 1 1 A 2 2 GLU CB C 2 29.269 32.953 -3.684 1
1 8 . 5 1 1 A 2 2 GLU N N 2 121.323 120.404 0.919 1
1 9 . 5 1 1 A 3 3 ALA H H 3 8.283 8.678 -0.395 1
1 10 . 5 1 1 A 3 3 ALA HA H 3 4.317 4.332 -0.015 1
1 11 . 5 1 1 A 3 3 ALA C C 3 176.007 178.264 -2.257 1
1 12 . 5 1 1 A 3 3 ALA CA C 3 53.244 52.688 0.556 1
1 13 . 5 1 1 A 3 3 ALA CB C 3 19.153 19.160 -0.007 1
1 14 . 5 1 1 A 3 3 ALA N N 3 123.378 128.492 -5.114 1
1 15 . 5 1 1 A 4 4 GLU H H 4 8.109 8.856 -0.747 1
1 16 . 5 1 1 A 4 4 GLU HA H 4 4.366 4.185 0.181 1
1 17 . 5 1 1 A 4 4 GLU C C 4 177.975 178.332 -0.357 1
1 18 . 5 1 1 A 4 4 GLU CA C 4 56.850 58.942 -2.092 1
1 19 . 5 1 1 A 4 4 GLU CB C 4 29.078 29.258 -0.180 1
1 20 . 5 1 1 A 4 4 GLU N N 4 118.121 125.141 -7.020 1
1 21 . 5 1 1 A 5 5 ASP H H 5 8.201 8.269 -0.068 1
1 22 . 5 1 1 A 5 5 ASP HA H 5 4.659 4.419 0.240 1
1 23 . 5 1 1 A 5 5 ASP C C 5 176.393 177.620 -1.227 1
1 24 . 5 1 1 A 5 5 ASP CA C 5 54.166 57.249 -3.083 1
1 25 . 5 1 1 A 5 5 ASP CB C 5 39.422 41.367 -1.945 1
1 26 . 5 1 1 A 5 5 ASP N N 5 119.089 119.807 -0.718 1
1 27 . 5 1 1 A 6 6 ALA H H 6 8.045 7.307 0.738 1
1 28 . 5 1 1 A 6 6 ALA HA H 6 4.376 4.302 0.074 1
1 29 . 5 1 1 A 6 6 ALA C C 6 175.403 177.239 -1.836 1
1 30 . 5 1 1 A 6 6 ALA CA C 6 53.166 52.941 0.225 1
1 31 . 5 1 1 A 6 6 ALA CB C 6 19.232 19.354 -0.122 1
1 32 . 5 1 1 A 6 6 ALA N N 6 123.242 122.181 1.061 1
1 33 . 5 1 1 A 7 7 SER H H 7 8.168 8.682 -0.514 1
1 34 . 5 1 1 A 7 7 SER HA H 7 4.543 4.664 -0.121 1
1 35 . 5 1 1 A 7 7 SER C C 7 177.957 175.631 2.326 1
1 36 . 5 1 1 A 7 7 SER CA C 7 59.090 57.958 1.132 1
1 37 . 5 1 1 A 7 7 SER CB C 7 64.084 64.243 -0.159 1
1 38 . 5 1 1 A 7 7 SER N N 7 115.046 117.122 -2.076 1
1 39 . 5 1 1 A 8 8 LEU H H 8 8.410 8.904 -0.494 1
1 40 . 5 1 1 A 8 8 LEU HA H 8 4.297 4.107 0.190 1
1 41 . 5 1 1 A 8 8 LEU C C 8 175.818 177.876 -2.058 1
1 42 . 5 1 1 A 8 8 LEU CA C 8 58.225 56.741 1.484 1
1 43 . 5 1 1 A 8 8 LEU CB C 8 42.057 41.511 0.546 1
1 44 . 5 1 1 A 8 8 LEU N N 8 124.101 126.829 -2.728 1
1 45 . 5 1 1 A 9 9 LEU H H 9 8.007 7.719 0.288 1
1 46 . 5 1 1 A 9 9 LEU HA H 9 4.245 4.228 0.017 1
1 47 . 5 1 1 A 9 9 LEU C C 9 178.573 178.128 0.445 1
1 48 . 5 1 1 A 9 9 LEU CA C 9 57.976 55.943 2.033 1
1 49 . 5 1 1 A 9 9 LEU CB C 9 41.475 41.760 -0.285 1
1 50 . 5 1 1 A 9 9 LEU N N 9 117.546 118.989 -1.443 1
1 51 . 5 1 1 A 10 10 SER H H 10 7.979 8.430 -0.451 1
1 52 . 5 1 1 A 10 10 SER HA H 10 4.320 4.159 0.161 1
1 53 . 5 1 1 A 10 10 SER C C 10 178.812 175.924 2.888 1
1 54 . 5 1 1 A 10 10 SER CA C 10 61.538 62.644 -1.106 1
1 55 . 5 1 1 A 10 10 SER CB C 10 62.776 62.872 -0.096 1
1 56 . 5 1 1 A 10 10 SER N N 10 114.105 116.103 -1.998 1
1 57 . 5 1 1 A 11 11 PHE H H 11 8.046 8.459 -0.413 1
1 58 . 5 1 1 A 11 11 PHE HA H 11 4.439 4.064 0.375 1
1 59 . 5 1 1 A 11 11 PHE C C 11 177.370 176.909 0.461 1
1 60 . 5 1 1 A 11 11 PHE CA C 11 60.823 62.271 -1.448 1
1 61 . 5 1 1 A 11 11 PHE CB C 11 39.190 39.172 0.018 1
1 62 . 5 1 1 A 11 11 PHE N N 11 122.342 121.834 0.508 1
1 63 . 5 1 1 A 12 12 MET H H 12 8.260 8.265 -0.005 1
1 64 . 5 1 1 A 12 12 MET HA H 12 4.303 4.056 0.247 1
1 65 . 5 1 1 A 12 12 MET C C 12 177.760 178.122 -0.362 1
1 66 . 5 1 1 A 12 12 MET CA C 12 58.034 58.506 -0.472 1
1 67 . 5 1 1 A 12 12 MET CB C 12 32.703 32.368 0.335 1
1 68 . 5 1 1 A 12 12 MET N N 12 118.124 117.909 0.215 1
1 69 . 5 1 1 A 13 13 GLN H H 13 8.371 8.540 -0.169 1
1 70 . 5 1 1 A 13 13 GLN HA H 13 4.082 4.005 0.077 1
1 71 . 5 1 1 A 13 13 GLN C C 13 177.866 178.582 -0.716 1
1 72 . 5 1 1 A 13 13 GLN CA C 13 59.149 59.524 -0.375 1
1 73 . 5 1 1 A 13 13 GLN CB C 13 28.792 28.713 0.079 1
1 74 . 5 1 1 A 13 13 GLN N N 13 118.154 118.878 -0.724 1
1 75 . 5 1 1 A 14 14 GLY H H 14 8.029 8.235 -0.206 1
1 76 . 5 1 1 A 14 14 GLY HA2 H 14 3.916 3.608 0.308 1
1 77 . 5 1 1 A 14 14 GLY C C 14 178.079 175.218 2.861 1
1 78 . 5 1 1 A 14 14 GLY CA C 14 46.795 47.119 -0.324 1
1 79 . 5 1 1 A 14 14 GLY N N 14 106.304 107.087 -0.783 1
1 80 . 5 1 1 A 15 15 TYR H H 15 7.950 8.175 -0.225 1
1 81 . 5 1 1 A 15 15 TYR HA H 15 4.307 3.965 0.342 1
1 82 . 5 1 1 A 15 15 TYR C C 15 175.811 177.246 -1.435 1
1 83 . 5 1 1 A 15 15 TYR CA C 15 61.112 61.419 -0.307 1
1 84 . 5 1 1 A 15 15 TYR CB C 15 39.251 38.485 0.766 1
1 85 . 5 1 1 A 15 15 TYR N N 15 121.528 123.464 -1.936 1
1 86 . 5 1 1 A 16 16 MET H H 16 8.199 8.129 0.070 1
1 87 . 5 1 1 A 16 16 MET HA H 16 4.307 3.937 0.370 1
1 88 . 5 1 1 A 16 16 MET C C 16 177.685 178.302 -0.617 1
1 89 . 5 1 1 A 16 16 MET CA C 16 57.476 58.842 -1.366 1
1 90 . 5 1 1 A 16 16 MET CB C 16 32.342 32.255 0.087 1
1 91 . 5 1 1 A 16 16 MET N N 16 117.173 117.316 -0.143 1
1 92 . 5 1 1 A 17 17 LYS H H 17 7.924 7.405 0.519 1
1 93 . 5 1 1 A 17 17 LYS HA H 17 4.190 3.938 0.252 1
1 94 . 5 1 1 A 17 17 LYS C C 17 177.849 178.843 -0.994 1
1 95 . 5 1 1 A 17 17 LYS CA C 17 58.393 58.948 -0.555 1
1 96 . 5 1 1 A 17 17 LYS CB C 17 32.311 32.094 0.217 1
1 97 . 5 1 1 A 17 17 LYS N N 17 118.640 120.791 -2.151 1
1 98 . 5 1 1 A 18 18 HIS H H 18 7.889 8.360 -0.471 1
1 99 . 5 1 1 A 18 18 HIS HA H 18 4.542 4.247 0.295 1
1 100 . 5 1 1 A 18 18 HIS C C 18 177.796 178.473 -0.677 1
1 101 . 5 1 1 A 18 18 HIS CA C 18 56.698 59.818 -3.120 1
1 102 . 5 1 1 A 18 18 HIS CB C 18 28.505 29.779 -1.274 1
1 103 . 5 1 1 A 18 18 HIS N N 18 116.031 117.756 -1.725 1
1 104 . 5 1 1 A 19 19 ALA H H 19 8.144 9.048 -0.904 1
1 105 . 5 1 1 A 19 19 ALA HA H 19 4.282 3.859 0.423 1
1 106 . 5 1 1 A 19 19 ALA C C 19 178.213 179.383 -1.170 1
1 107 . 5 1 1 A 19 19 ALA CA C 19 54.166 54.328 -0.162 1
1 108 . 5 1 1 A 19 19 ALA CB C 19 19.133 18.023 1.110 1
1 109 . 5 1 1 A 19 19 ALA N N 19 123.402 122.135 1.267 1
1 110 . 5 1 1 A 20 20 THR H H 20 8.186 7.329 0.857 1
1 111 . 5 1 1 A 20 20 THR HA H 20 4.128 3.918 0.210 1
1 112 . 5 1 1 A 20 20 THR C C 20 178.380 176.621 1.759 1
1 113 . 5 1 1 A 20 20 THR CA C 20 64.460 65.910 -1.450 1
1 114 . 5 1 1 A 20 20 THR CB C 20 69.213 68.420 0.793 1
1 115 . 5 1 1 A 20 20 THR N N 20 111.155 114.090 -2.935 1
1 116 . 5 1 1 A 21 21 LYS H H 21 7.715 8.172 -0.457 1
1 117 . 5 1 1 A 21 21 LYS HA H 21 4.349 4.045 0.304 1
1 118 . 5 1 1 A 21 21 LYS C C 21 175.517 180.193 -4.676 1
1 119 . 5 1 1 A 21 21 LYS CA C 21 58.000 59.489 -1.489 1
1 120 . 5 1 1 A 21 21 LYS CB C 21 32.848 32.464 0.384 1
1 121 . 5 1 1 A 21 21 LYS N N 21 121.662 120.722 0.940 1
1 122 . 5 1 1 A 22 22 THR H H 22 8.000 8.118 -0.118 1
1 123 . 5 1 1 A 22 22 THR HA H 22 4.297 3.965 0.332 1
1 124 . 5 1 1 A 22 22 THR C C 22 177.240 176.228 1.012 1
1 125 . 5 1 1 A 22 22 THR CA C 22 64.040 64.880 -0.840 1
1 126 . 5 1 1 A 22 22 THR CB C 22 69.733 68.553 1.180 1
1 127 . 5 1 1 A 22 22 THR N N 22 113.812 114.345 -0.533 1
1 128 . 5 1 1 A 23 23 ALA H H 23 8.412 7.713 0.699 1
1 129 . 5 1 1 A 23 23 ALA HA H 23 4.122 4.025 0.097 1
1 130 . 5 1 1 A 23 23 ALA C C 23 175.964 179.183 -3.219 1
1 131 . 5 1 1 A 23 23 ALA CA C 23 55.316 55.431 -0.115 1
1 132 . 5 1 1 A 23 23 ALA CB C 23 18.618 18.304 0.314 1
1 133 . 5 1 1 A 23 23 ALA N N 23 123.778 122.993 0.785 1
1 134 . 5 1 1 A 24 24 LYS H H 24 8.205 7.883 0.322 1
1 135 . 5 1 1 A 24 24 LYS HA H 24 3.975 3.937 0.038 1
1 136 . 5 1 1 A 24 24 LYS C C 24 178.579 178.260 0.319 1
1 137 . 5 1 1 A 24 24 LYS CA C 24 59.821 59.748 0.073 1
1 138 . 5 1 1 A 24 24 LYS CB C 24 32.287 32.294 -0.007 1
1 139 . 5 1 1 A 24 24 LYS N N 24 116.572 118.424 -1.852 1
1 140 . 5 1 1 A 25 25 ASP H H 25 8.162 8.393 -0.231 1
1 141 . 5 1 1 A 25 25 ASP HA H 25 4.633 4.332 0.301 1
1 142 . 5 1 1 A 25 25 ASP C C 25 178.849 178.935 -0.086 1
1 143 . 5 1 1 A 25 25 ASP CA C 25 56.667 57.394 -0.727 1
1 144 . 5 1 1 A 25 25 ASP CB C 25 39.431 40.192 -0.761 1
1 145 . 5 1 1 A 25 25 ASP N N 25 119.217 118.489 0.728 1
1 146 . 5 1 1 A 26 26 ALA H H 26 8.144 8.260 -0.116 1
1 147 . 5 1 1 A 26 26 ALA HA H 26 4.297 4.095 0.202 1
1 148 . 5 1 1 A 26 26 ALA C C 26 175.378 179.971 -4.593 1
1 149 . 5 1 1 A 26 26 ALA CA C 26 54.877 54.937 -0.060 1
1 150 . 5 1 1 A 26 26 ALA CB C 26 18.648 18.050 0.598 1
1 151 . 5 1 1 A 26 26 ALA N N 26 123.402 122.773 0.629 1
1 152 . 5 1 1 A 27 27 LEU H H 27 8.203 9.720 -1.517 1
1 153 . 5 1 1 A 27 27 LEU HA H 27 4.149 3.905 0.244 1
1 154 . 5 1 1 A 27 27 LEU C C 27 179.408 180.125 -0.717 1
1 155 . 5 1 1 A 27 27 LEU CA C 27 57.457 58.052 -0.595 1
1 156 . 5 1 1 A 27 27 LEU CB C 27 41.794 41.220 0.574 1
1 157 . 5 1 1 A 27 27 LEU N N 27 117.567 119.732 -2.165 1
1 158 . 5 1 1 A 28 28 SER H H 28 8.010 8.331 -0.321 1
1 159 . 5 1 1 A 28 28 SER HA H 28 4.348 4.229 0.119 1
1 160 . 5 1 1 A 28 28 SER C C 28 178.515 176.321 2.194 1
1 161 . 5 1 1 A 28 28 SER CA C 28 61.275 61.885 -0.610 1
1 162 . 5 1 1 A 28 28 SER CB C 28 63.339 62.985 0.354 1
1 163 . 5 1 1 A 28 28 SER N N 28 113.313 114.788 -1.475 1
1 164 . 5 1 1 A 29 29 SER H H 29 7.899 8.190 -0.291 1
1 165 . 5 1 1 A 29 29 SER HA H 29 4.483 4.399 0.084 1
1 166 . 5 1 1 A 29 29 SER C C 29 176.227 175.605 0.622 1
1 167 . 5 1 1 A 29 29 SER CA C 29 60.684 60.226 0.458 1
1 168 . 5 1 1 A 29 29 SER CB C 29 63.720 63.251 0.469 1
1 169 . 5 1 1 A 29 29 SER N N 29 116.193 116.013 0.180 1
1 170 . 5 1 1 A 30 30 VAL H H 30 7.832 8.030 -0.198 1
1 171 . 5 1 1 A 30 30 VAL HA H 30 4.131 3.864 0.267 1
1 172 . 5 1 1 A 30 30 VAL C C 30 175.982 177.107 -1.125 1
1 173 . 5 1 1 A 30 30 VAL CA C 30 64.518 64.321 0.197 1
1 174 . 5 1 1 A 30 30 VAL CB C 30 32.102 31.468 0.634 1
1 175 . 5 1 1 A 30 30 VAL N N 30 120.035 121.914 -1.879 1
1 176 . 5 1 1 A 31 31 GLN H H 31 8.252 8.607 -0.355 1
1 177 . 5 1 1 A 31 31 GLN HA H 31 4.222 4.054 0.168 1
1 178 . 5 1 1 A 31 31 GLN C C 31 177.403 177.821 -0.418 1
1 179 . 5 1 1 A 31 31 GLN CA C 31 57.904 57.911 -0.007 1
1 180 . 5 1 1 A 31 31 GLN CB C 31 29.119 27.771 1.348 1
1 181 . 5 1 1 A 31 31 GLN N N 31 120.710 119.467 1.243 1
1 182 . 5 1 1 A 32 32 GLU H H 32 8.049 8.089 -0.040 1
1 183 . 5 1 1 A 32 32 GLU HA H 32 4.320 4.166 0.154 1
1 184 . 5 1 1 A 32 32 GLU C C 32 176.734 178.178 -1.444 1
1 185 . 5 1 1 A 32 32 GLU CA C 32 57.116 58.177 -1.061 1
1 186 . 5 1 1 A 32 32 GLU CB C 32 28.505 29.713 -1.208 1
1 187 . 5 1 1 A 32 32 GLU N N 32 117.872 120.976 -3.104 1
1 188 . 5 1 1 A 33 33 SER H H 33 7.973 9.322 -1.349 1
1 189 . 5 1 1 A 33 33 SER HA H 33 4.454 4.160 0.294 1
1 190 . 5 1 1 A 33 33 SER C C 33 176.505 176.317 0.188 1
1 191 . 5 1 1 A 33 33 SER CA C 33 59.379 60.859 -1.480 1
1 192 . 5 1 1 A 33 33 SER CB C 33 64.359 63.178 1.181 1
1 193 . 5 1 1 A 33 33 SER N N 33 115.021 115.065 -0.044 1
1 194 . 5 1 1 A 34 34 GLN H H 34 8.379 7.938 0.441 1
1 195 . 5 1 1 A 34 34 GLN HA H 34 4.249 4.060 0.189 1
1 196 . 5 1 1 A 34 34 GLN C C 34 175.446 178.376 -2.930 1
1 197 . 5 1 1 A 34 34 GLN CA C 34 58.287 58.491 -0.204 1
1 198 . 5 1 1 A 34 34 GLN CB C 34 28.507 28.171 0.336 1
1 199 . 5 1 1 A 34 34 GLN N N 34 121.821 119.583 2.238 1
1 200 . 5 1 1 A 35 35 VAL H H 35 7.885 7.698 0.187 1
1 201 . 5 1 1 A 35 35 VAL HA H 35 3.890 3.769 0.121 1
1 202 . 5 1 1 A 35 35 VAL C C 35 178.220 178.242 -0.022 1
1 203 . 5 1 1 A 35 35 VAL CA C 35 65.572 65.830 -0.258 1
1 204 . 5 1 1 A 35 35 VAL CB C 35 31.809 31.755 0.054 1
1 205 . 5 1 1 A 35 35 VAL N N 35 118.193 120.617 -2.424 1
1 206 . 5 1 1 A 36 36 ALA H H 36 7.941 8.124 -0.183 1
1 207 . 5 1 1 A 36 36 ALA HA H 36 4.017 4.019 -0.002 1
1 208 . 5 1 1 A 36 36 ALA C C 36 175.366 180.264 -4.898 1
1 209 . 5 1 1 A 36 36 ALA CA C 36 55.299 55.525 -0.226 1
1 210 . 5 1 1 A 36 36 ALA CB C 36 18.710 18.553 0.157 1
1 211 . 5 1 1 A 36 36 ALA N N 36 121.942 122.225 -0.283 1
1 212 . 5 1 1 A 37 37 GLN H H 37 7.771 7.916 -0.145 1
1 213 . 5 1 1 A 37 37 GLN HA H 37 4.072 3.973 0.099 1
1 214 . 5 1 1 A 37 37 GLN C C 37 179.036 178.371 0.665 1
1 215 . 5 1 1 A 37 37 GLN CA C 37 58.656 59.186 -0.530 1
1 216 . 5 1 1 A 37 37 GLN CB C 37 28.583 28.115 0.468 1
1 217 . 5 1 1 A 37 37 GLN N N 37 115.154 117.467 -2.313 1
1 218 . 5 1 1 A 38 38 GLN H H 38 8.057 8.093 -0.036 1
1 219 . 5 1 1 A 38 38 GLN HA H 38 4.161 4.016 0.145 1
1 220 . 5 1 1 A 38 38 GLN C C 38 178.965 177.655 1.310 1
1 221 . 5 1 1 A 38 38 GLN CA C 38 57.879 58.783 -0.904 1
1 222 . 5 1 1 A 38 38 GLN CB C 38 28.936 29.105 -0.169 1
1 223 . 5 1 1 A 38 38 GLN N N 38 119.273 119.853 -0.580 1
1 224 . 5 1 1 A 39 39 ALA H H 39 8.226 9.012 -0.786 1
1 225 . 5 1 1 A 39 39 ALA HA H 39 3.878 4.189 -0.311 1
1 226 . 5 1 1 A 39 39 ALA C C 39 178.002 179.978 -1.976 1
1 227 . 5 1 1 A 39 39 ALA CA C 39 54.780 55.092 -0.312 1
1 228 . 5 1 1 A 39 39 ALA CB C 39 18.626 18.546 0.080 1
1 229 . 5 1 1 A 39 39 ALA N N 39 121.849 121.621 0.228 1
1 230 . 5 1 1 A 40 40 ARG H H 40 8.078 9.096 -1.018 1
1 231 . 5 1 1 A 40 40 ARG HA H 40 4.519 4.031 0.488 1
1 232 . 5 1 1 A 40 40 ARG C C 40 178.581 179.616 -1.035 1
1 233 . 5 1 1 A 40 40 ARG CA C 40 59.438 58.828 0.610 1
1 234 . 5 1 1 A 40 40 ARG CB C 40 30.064 30.005 0.059 1
1 235 . 5 1 1 A 40 40 ARG N N 40 116.166 117.020 -0.854 1
1 236 . 5 1 1 A 41 41 GLY H H 41 7.962 9.128 -1.166 1
1 237 . 5 1 1 A 41 41 GLY HA2 H 41 3.965 3.489 0.476 1
1 238 . 5 1 1 A 41 41 GLY C C 41 178.678 176.069 2.609 1
1 239 . 5 1 1 A 41 41 GLY CA C 41 46.734 47.195 -0.461 1
1 240 . 5 1 1 A 41 41 GLY N N 41 106.758 108.073 -1.315 1
1 241 . 5 1 1 A 42 42 TRP H H 42 7.941 7.567 0.374 1
1 242 . 5 1 1 A 42 42 TRP HA H 42 4.027 4.711 -0.684 1
1 243 . 5 1 1 A 42 42 TRP C C 42 176.967 178.907 -1.940 1
1 244 . 5 1 1 A 42 42 TRP CA C 42 59.749 59.847 -0.098 1
1 245 . 5 1 1 A 42 42 TRP CB C 42 29.555 29.338 0.217 1
1 246 . 5 1 1 A 42 42 TRP N N 42 121.942 122.501 -0.559 1
1 247 . 5 1 1 A 43 43 VAL H H 43 8.025 7.719 0.306 1
1 248 . 5 1 1 A 43 43 VAL HA H 43 3.848 3.774 0.074 1
1 249 . 5 1 1 A 43 43 VAL C C 43 178.333 178.347 -0.014 1
1 250 . 5 1 1 A 43 43 VAL CA C 43 65.233 66.697 -1.464 1
1 251 . 5 1 1 A 43 43 VAL CB C 43 32.013 31.730 0.283 1
1 252 . 5 1 1 A 43 43 VAL N N 43 116.325 120.455 -4.130 1
1 253 . 5 1 1 A 44 44 THR H H 44 7.969 7.924 0.045 1
1 254 . 5 1 1 A 44 44 THR HA H 44 4.239 3.938 0.301 1
1 255 . 5 1 1 A 44 44 THR C C 44 177.224 175.521 1.703 1
1 256 . 5 1 1 A 44 44 THR CA C 44 65.189 66.846 -1.657 1
1 257 . 5 1 1 A 44 44 THR CB C 44 69.255 68.677 0.578 1
1 258 . 5 1 1 A 44 44 THR N N 44 113.656 114.674 -1.018 1
1 259 . 5 1 1 A 45 45 ASP H H 45 8.195 7.559 0.636 1
1 260 . 5 1 1 A 45 45 ASP HA H 45 4.759 4.705 0.054 1
1 261 . 5 1 1 A 45 45 ASP C C 45 176.240 175.931 0.309 1
1 262 . 5 1 1 A 45 45 ASP CA C 45 55.102 54.199 0.903 1
1 263 . 5 1 1 A 45 45 ASP CB C 45 39.325 40.913 -1.588 1
1 264 . 5 1 1 A 45 45 ASP N N 45 120.741 118.591 2.150 1
1 265 . 5 1 1 A 46 46 GLY H H 46 8.193 7.875 0.318 1
1 266 . 5 1 1 A 46 46 GLY HA2 H 46 3.809 3.985 -0.176 1
1 267 . 5 1 1 A 46 46 GLY C C 46 177.272 175.314 1.958 1
1 268 . 5 1 1 A 46 46 GLY CA C 46 46.513 47.013 -0.500 1
1 269 . 5 1 1 A 46 46 GLY N N 46 108.690 107.931 0.759 1
1 270 . 5 1 1 A 47 47 PHE H H 47 8.371 7.950 0.421 1
1 271 . 5 1 1 A 47 47 PHE HA H 47 4.448 4.346 0.102 1
1 272 . 5 1 1 A 47 47 PHE C C 47 174.681 177.931 -3.250 1
1 273 . 5 1 1 A 47 47 PHE CA C 47 60.145 61.331 -1.186 1
1 274 . 5 1 1 A 47 47 PHE CB C 47 38.825 39.644 -0.819 1
1 275 . 5 1 1 A 47 47 PHE N N 47 119.504 120.797 -1.293 1
1 276 . 5 1 1 A 48 48 SER H H 48 8.160 8.224 -0.064 1
1 277 . 5 1 1 A 48 48 SER HA H 48 4.195 4.117 0.078 1
1 278 . 5 1 1 A 48 48 SER C C 48 177.055 176.278 0.777 1
1 279 . 5 1 1 A 48 48 SER CA C 48 61.834 62.002 -0.168 1
1 280 . 5 1 1 A 48 48 SER CB C 48 63.181 63.174 0.007 1
1 281 . 5 1 1 A 48 48 SER N N 48 113.986 116.156 -2.170 1
1 282 . 5 1 1 A 49 49 SER H H 49 8.050 8.217 -0.167 1
1 283 . 5 1 1 A 49 49 SER HA H 49 4.454 4.270 0.184 1
1 284 . 5 1 1 A 49 49 SER C C 49 176.526 176.049 0.477 1
1 285 . 5 1 1 A 49 49 SER CA C 49 61.217 61.483 -0.266 1
1 286 . 5 1 1 A 49 49 SER CB C 49 63.302 62.907 0.395 1
1 287 . 5 1 1 A 49 49 SER N N 49 116.779 118.288 -1.509 1
1 288 . 5 1 1 A 50 50 LEU H H 50 8.003 7.820 0.183 1
1 289 . 5 1 1 A 50 50 LEU HA H 50 4.293 4.056 0.237 1
1 290 . 5 1 1 A 50 50 LEU C C 50 175.754 178.961 -3.207 1
1 291 . 5 1 1 A 50 50 LEU CA C 50 58.134 56.885 1.249 1
1 292 . 5 1 1 A 50 50 LEU CB C 50 41.976 41.249 0.727 1
1 293 . 5 1 1 A 50 50 LEU N N 50 122.176 119.777 2.399 1
1 294 . 5 1 1 A 51 51 LYS H H 51 8.091 8.830 -0.739 1
1 295 . 5 1 1 A 51 51 LYS HA H 51 4.072 4.016 0.056 1
1 296 . 5 1 1 A 51 51 LYS C C 51 178.459 178.375 0.084 1
1 297 . 5 1 1 A 51 51 LYS CA C 51 60.375 60.015 0.360 1
1 298 . 5 1 1 A 51 51 LYS CB C 51 32.156 32.156 0.000 1
1 299 . 5 1 1 A 51 51 LYS N N 51 117.526 121.127 -3.601 1
1 300 . 5 1 1 A 52 52 ASP H H 52 7.915 7.787 0.128 1
1 301 . 5 1 1 A 52 52 ASP HA H 52 4.594 4.242 0.352 1
1 302 . 5 1 1 A 52 52 ASP C C 52 178.854 178.389 0.465 1
1 303 . 5 1 1 A 52 52 ASP CA C 52 56.696 57.167 -0.471 1
1 304 . 5 1 1 A 52 52 ASP CB C 52 39.194 40.428 -1.234 1
1 305 . 5 1 1 A 52 52 ASP N N 52 119.070 119.232 -0.162 1
1 306 . 5 1 1 A 53 53 TYR H H 53 8.144 7.659 0.485 1
1 307 . 5 1 1 A 53 53 TYR HA H 53 4.630 4.457 0.173 1
1 308 . 5 1 1 A 53 53 TYR C C 53 178.269 178.969 -0.700 1
1 309 . 5 1 1 A 53 53 TYR CA C 53 60.692 60.308 0.384 1
1 310 . 5 1 1 A 53 53 TYR CB C 53 38.569 38.022 0.547 1
1 311 . 5 1 1 A 53 53 TYR N N 53 120.243 118.233 2.010 1
1 312 . 5 1 1 A 54 54 TRP H H 54 8.591 9.554 -0.963 1
1 313 . 5 1 1 A 54 54 TRP HA H 54 4.494 4.252 0.242 1
1 314 . 5 1 1 A 54 54 TRP C C 54 178.007 178.222 -0.215 1
1 315 . 5 1 1 A 54 54 TRP CA C 54 59.747 61.216 -1.469 1
1 316 . 5 1 1 A 54 54 TRP CB C 54 30.447 29.459 0.988 1
1 317 . 5 1 1 A 54 54 TRP N N 54 120.624 123.149 -2.525 1
1 318 . 5 1 1 A 55 55 SER H H 55 8.223 9.584 -1.361 1
1 319 . 5 1 1 A 55 55 SER HA H 55 3.906 4.012 -0.106 1
1 320 . 5 1 1 A 55 55 SER C C 55 176.913 176.221 0.692 1
1 321 . 5 1 1 A 55 55 SER CA C 55 62.150 61.175 0.975 1
1 322 . 5 1 1 A 55 55 SER CB C 55 63.019 63.158 -0.139 1
1 323 . 5 1 1 A 55 55 SER N N 55 112.199 113.903 -1.704 1
1 324 . 5 1 1 A 56 56 THR H H 56 7.689 7.905 -0.216 1
1 325 . 5 1 1 A 56 56 THR HA H 56 4.104 4.015 0.089 1
1 326 . 5 1 1 A 56 56 THR C C 56 176.440 176.576 -0.136 1
1 327 . 5 1 1 A 56 56 THR CA C 56 66.346 65.109 1.237 1
1 328 . 5 1 1 A 56 56 THR CB C 56 68.858 68.533 0.325 1
1 329 . 5 1 1 A 56 56 THR N N 56 117.331 115.202 2.129 1
1 330 . 5 1 1 A 57 57 VAL H H 57 7.960 8.183 -0.223 1
1 331 . 5 1 1 A 57 57 VAL HA H 57 3.623 3.829 -0.206 1
1 332 . 5 1 1 A 57 57 VAL C C 57 176.128 177.632 -1.504 1
1 333 . 5 1 1 A 57 57 VAL CA C 57 66.489 65.577 0.912 1
1 334 . 5 1 1 A 57 57 VAL CB C 57 31.829 31.291 0.538 1
1 335 . 5 1 1 A 57 57 VAL N N 57 121.777 119.816 1.961 1
1 336 . 5 1 1 A 58 58 LYS H H 58 8.100 7.653 0.447 1
1 337 . 5 1 1 A 58 58 LYS HA H 58 3.554 3.569 -0.015 1
1 338 . 5 1 1 A 58 58 LYS C C 58 177.265 178.336 -1.071 1
1 339 . 5 1 1 A 58 58 LYS CA C 58 60.174 59.569 0.605 1
1 340 . 5 1 1 A 58 58 LYS CB C 58 31.373 31.709 -0.336 1
1 341 . 5 1 1 A 58 58 LYS N N 58 119.262 122.062 -2.800 1
1 342 . 5 1 1 A 59 59 ASP H H 59 7.826 7.712 0.114 1
1 343 . 5 1 1 A 59 59 ASP HA H 59 4.473 4.387 0.086 1
1 344 . 5 1 1 A 59 59 ASP C C 59 178.762 178.616 0.146 1
1 345 . 5 1 1 A 59 59 ASP CA C 59 56.562 57.298 -0.736 1
1 346 . 5 1 1 A 59 59 ASP CB C 59 39.446 40.306 -0.860 1
1 347 . 5 1 1 A 59 59 ASP N N 59 117.771 118.847 -1.076 1
1 348 . 5 1 1 A 60 60 LYS H H 60 8.052 9.261 -1.209 1
1 349 . 5 1 1 A 60 60 LYS HA H 60 4.141 4.204 -0.063 1
1 350 . 5 1 1 A 60 60 LYS C C 60 178.220 179.112 -0.892 1
1 351 . 5 1 1 A 60 60 LYS CA C 60 58.383 58.328 0.055 1
1 352 . 5 1 1 A 60 60 LYS CB C 60 32.095 31.917 0.178 1
1 353 . 5 1 1 A 60 60 LYS N N 60 119.850 119.526 0.324 1
1 354 . 5 1 1 A 61 61 PHE H H 61 8.301 8.312 -0.011 1
1 355 . 5 1 1 A 61 61 PHE HA H 61 4.337 4.161 0.176 1
1 356 . 5 1 1 A 61 61 PHE C C 61 178.462 177.859 0.603 1
1 357 . 5 1 1 A 61 61 PHE CA C 61 60.780 61.173 -0.393 1
1 358 . 5 1 1 A 61 61 PHE CB C 61 39.194 39.348 -0.154 1
1 359 . 5 1 1 A 61 61 PHE N N 61 118.056 121.830 -3.774 1
1 360 . 5 1 1 A 62 62 SER H H 62 8.160 8.158 0.002 1
1 361 . 5 1 1 A 62 62 SER HA H 62 4.229 4.189 0.040 1
1 362 . 5 1 1 A 62 62 SER C C 62 177.060 177.343 -0.283 1
1 363 . 5 1 1 A 62 62 SER CA C 62 61.546 61.734 -0.188 1
1 364 . 5 1 1 A 62 62 SER CB C 62 63.368 62.996 0.372 1
1 365 . 5 1 1 A 62 62 SER N N 62 113.635 114.322 -0.687 1
1 366 . 5 1 1 A 63 63 GLU H H 63 7.847 8.086 -0.239 1
1 367 . 5 1 1 A 63 63 GLU HA H 63 4.200 4.293 -0.093 1
1 368 . 5 1 1 A 63 63 GLU C C 63 175.917 179.125 -3.208 1
1 369 . 5 1 1 A 63 63 GLU CA C 63 57.833 58.660 -0.827 1
1 370 . 5 1 1 A 63 63 GLU CB C 63 28.314 29.388 -1.074 1
1 371 . 5 1 1 A 63 63 GLU N N 63 119.485 120.809 -1.324 1
1 372 . 5 1 1 A 64 64 PHE H H 64 7.792 8.507 -0.715 1
1 373 . 5 1 1 A 64 64 PHE HA H 64 4.448 4.130 0.318 1
1 374 . 5 1 1 A 64 64 PHE C C 64 177.370 177.516 -0.146 1
1 375 . 5 1 1 A 64 64 PHE CA C 64 59.714 60.286 -0.572 1
1 376 . 5 1 1 A 64 64 PHE CB C 64 39.825 39.336 0.489 1
1 377 . 5 1 1 A 64 64 PHE N N 64 118.506 121.515 -3.009 1
1 378 . 5 1 1 A 65 65 TRP H H 65 7.776 7.863 -0.087 1
1 379 . 5 1 1 A 65 65 TRP HA H 65 4.524 4.051 0.473 1
1 380 . 5 1 1 A 65 65 TRP C C 65 175.868 175.313 0.555 1
1 381 . 5 1 1 A 65 65 TRP CA C 65 57.472 60.288 -2.816 1
1 382 . 5 1 1 A 65 65 TRP CB C 65 30.031 29.881 0.150 1
1 383 . 5 1 1 A 65 65 TRP N N 65 118.247 120.962 -2.715 1
1 384 . 5 1 1 A 66 66 ASP H H 66 7.832 7.753 0.079 1
1 385 . 5 1 1 A 66 66 ASP HA H 66 4.708 4.499 0.209 1
1 386 . 5 1 1 A 66 66 ASP C C 66 175.345 175.835 -0.490 1
1 387 . 5 1 1 A 66 66 ASP CA C 66 53.378 53.342 0.036 1
1 388 . 5 1 1 A 66 66 ASP CB C 66 38.672 41.478 -2.806 1
1 389 . 5 1 1 A 66 66 ASP N N 66 119.198 116.272 2.926 1
1 390 . 5 1 1 A 67 67 LEU H H 67 7.877 8.421 -0.544 1
1 391 . 5 1 1 A 67 67 LEU HA H 67 4.346 4.543 -0.197 1
1 392 . 5 1 1 A 67 67 LEU C C 67 175.060 176.105 -1.045 1
1 393 . 5 1 1 A 67 67 LEU CA C 67 55.458 53.823 1.635 1
1 394 . 5 1 1 A 67 67 LEU CB C 67 42.444 42.526 -0.082 1
1 395 . 5 1 1 A 67 67 LEU N N 67 121.856 125.041 -3.185 1
1 396 . 5 1 1 A 68 68 ASP H H 68 7.939 8.338 -0.399 1
1 397 . 5 1 1 A 68 68 ASP HA H 68 4.571 4.746 -0.175 1
1 398 . 5 1 1 A 68 68 ASP C C 68 176.528 176.770 -0.242 1
1 399 . 5 1 1 A 68 68 ASP CA C 68 54.086 52.983 1.103 1
1 400 . 5 1 1 A 68 68 ASP CB C 68 40.423 40.390 0.033 1
1 401 . 5 1 1 A 68 68 ASP N N 68 122.966 120.516 2.450 1
1 402 . 5 1 1 A 69 69 PRO CA C 69 62.556 64.278 -1.722 1
1 403 . 5 1 1 A 69 69 PRO CB C 69 32.514 31.977 0.537 1
1 404 . 5 1 1 A 70 70 GLU H H 70 8.627 7.752 0.875 1
1 405 . 5 1 1 A 70 70 GLU HA H 70 4.532 4.801 -0.269 1
1 406 . 5 1 1 A 70 70 GLU C C 70 172.210 174.975 -2.765 1
1 407 . 5 1 1 A 70 70 GLU CA C 70 56.488 55.290 1.198 1
1 408 . 5 1 1 A 70 70 GLU CB C 70 29.544 32.389 -2.845 1
1 409 . 5 1 1 A 70 70 GLU N N 70 120.105 116.944 3.161 1
1 410 . 5 1 1 A 71 71 VAL H H 71 7.826 8.881 -1.055 1
1 411 . 5 1 1 A 71 71 VAL HA H 71 4.210 4.308 -0.098 1
1 412 . 5 1 1 A 71 71 VAL C C 71 175.329 175.702 -0.373 1
1 413 . 5 1 1 A 71 71 VAL CA C 71 61.895 61.866 0.029 1
1 414 . 5 1 1 A 71 71 VAL CB C 71 33.096 30.925 2.171 1
1 415 . 5 1 1 A 71 71 VAL N N 71 119.356 127.604 -8.248 1
1 416 . 5 1 1 A 72 72 ARG H H 72 8.103 8.240 -0.137 1
1 417 . 5 1 1 A 72 72 ARG HA H 72 4.757 4.763 -0.006 1
1 418 . 5 1 1 A 72 72 ARG C C 72 174.732 175.675 -0.943 1
1 419 . 5 1 1 A 72 72 ARG CA C 72 53.719 52.833 0.886 1
1 420 . 5 1 1 A 72 72 ARG CB C 72 30.795 31.336 -0.541 1
1 421 . 5 1 1 A 72 72 ARG N N 72 122.861 127.548 -4.687 1
1 422 . 5 1 1 A 73 73 PRO CA C 73 64.693 64.352 0.341 1
1 423 . 5 1 1 A 73 73 PRO CB C 73 31.605 31.828 -0.223 1
1 424 . 5 1 1 A 74 74 THR H H 74 7.959 7.965 -0.006 1
1 425 . 5 1 1 A 74 74 THR HA H 74 4.131 4.080 0.051 1
1 426 . 5 1 1 A 74 74 THR C C 74 176.913 176.645 0.268 1
1 427 . 5 1 1 A 74 74 THR CA C 74 64.309 65.162 -0.853 1
1 428 . 5 1 1 A 74 74 THR CB C 74 69.160 68.840 0.320 1
1 429 . 5 1 1 A 74 74 THR N N 74 110.152 111.574 -1.422 1
1 430 . 5 1 1 A 75 75 SER H H 75 7.997 8.209 -0.212 1
1 431 . 5 1 1 A 75 75 SER HA H 75 4.483 4.039 0.444 1
1 432 . 5 1 1 A 75 75 SER C C 75 176.093 176.184 -0.091 1
1 433 . 5 1 1 A 75 75 SER CA C 75 60.300 62.248 -1.948 1
1 434 . 5 1 1 A 75 75 SER CB C 75 63.327 62.637 0.690 1
1 435 . 5 1 1 A 75 75 SER N N 75 117.147 117.917 -0.770 1
1 436 . 5 1 1 A 76 76 ALA H H 76 8.109 7.503 0.606 1
1 437 . 5 1 1 A 76 76 ALA HA H 76 4.219 4.086 0.133 1
1 438 . 5 1 1 A 76 76 ALA C C 76 175.737 180.108 -4.371 1
1 439 . 5 1 1 A 76 76 ALA CA C 76 54.932 55.329 -0.397 1
1 440 . 5 1 1 A 76 76 ALA CB C 76 18.773 18.654 0.119 1
1 441 . 5 1 1 A 76 76 ALA N N 76 124.803 123.397 1.406 1
1 442 . 5 1 1 A 77 77 VAL H H 77 7.798 8.118 -0.320 1
1 443 . 5 1 1 A 77 77 VAL HA H 77 3.682 3.481 0.201 1
1 444 . 5 1 1 A 77 77 VAL C C 77 178.536 178.198 0.338 1
1 445 . 5 1 1 A 77 77 VAL CA C 77 66.335 66.486 -0.151 1
1 446 . 5 1 1 A 77 77 VAL CB C 77 31.744 31.627 0.117 1
1 447 . 5 1 1 A 77 77 VAL N N 77 115.730 117.874 -2.144 1
1 448 . 5 1 1 A 78 78 ALA H H 78 7.832 8.157 -0.325 1
1 449 . 5 1 1 A 78 78 ALA HA H 78 4.115 4.196 -0.081 1
1 450 . 5 1 1 A 78 78 ALA C C 78 177.362 177.564 -0.202 1
1 451 . 5 1 1 A 78 78 ALA CA C 78 54.902 53.661 1.241 1
1 452 . 5 1 1 A 78 78 ALA CB C 78 18.311 18.643 -0.332 1
1 453 . 5 1 1 A 78 78 ALA N N 78 121.924 120.970 0.954 1
1 3 . 6 1 1 A 2 2 GLU H H 2 8.776 7.709 1.067 1
1 4 . 6 1 1 A 2 2 GLU HA H 2 4.415 4.635 -0.220 1
1 5 . 6 1 1 A 2 2 GLU C C 2 171.203 174.158 -2.955 1
1 6 . 6 1 1 A 2 2 GLU CA C 2 56.971 56.021 0.950 1
1 7 . 6 1 1 A 2 2 GLU CB C 2 29.269 32.788 -3.519 1
1 8 . 6 1 1 A 2 2 GLU N N 2 121.323 119.320 2.003 1
1 9 . 6 1 1 A 3 3 ALA H H 3 8.283 8.740 -0.457 1
1 10 . 6 1 1 A 3 3 ALA HA H 3 4.317 4.359 -0.042 1
1 11 . 6 1 1 A 3 3 ALA C C 3 176.007 178.318 -2.311 1
1 12 . 6 1 1 A 3 3 ALA CA C 3 53.244 52.538 0.706 1
1 13 . 6 1 1 A 3 3 ALA CB C 3 19.153 18.877 0.276 1
1 14 . 6 1 1 A 3 3 ALA N N 3 123.378 128.997 -5.619 1
1 15 . 6 1 1 A 4 4 GLU H H 4 8.109 8.906 -0.797 1
1 16 . 6 1 1 A 4 4 GLU HA H 4 4.366 4.177 0.189 1
1 17 . 6 1 1 A 4 4 GLU C C 4 177.975 178.260 -0.285 1
1 18 . 6 1 1 A 4 4 GLU CA C 4 56.850 58.837 -1.987 1
1 19 . 6 1 1 A 4 4 GLU CB C 4 29.078 29.297 -0.219 1
1 20 . 6 1 1 A 4 4 GLU N N 4 118.121 125.083 -6.962 1
1 21 . 6 1 1 A 5 5 ASP H H 5 8.201 8.283 -0.082 1
1 22 . 6 1 1 A 5 5 ASP HA H 5 4.659 4.465 0.194 1
1 23 . 6 1 1 A 5 5 ASP C C 5 176.393 177.696 -1.303 1
1 24 . 6 1 1 A 5 5 ASP CA C 5 54.166 57.433 -3.267 1
1 25 . 6 1 1 A 5 5 ASP CB C 5 39.422 41.615 -2.193 1
1 26 . 6 1 1 A 5 5 ASP N N 5 119.089 120.039 -0.950 1
1 27 . 6 1 1 A 6 6 ALA H H 6 8.045 7.289 0.756 1
1 28 . 6 1 1 A 6 6 ALA HA H 6 4.376 4.193 0.183 1
1 29 . 6 1 1 A 6 6 ALA C C 6 175.403 177.637 -2.234 1
1 30 . 6 1 1 A 6 6 ALA CA C 6 53.166 52.996 0.170 1
1 31 . 6 1 1 A 6 6 ALA CB C 6 19.232 19.004 0.228 1
1 32 . 6 1 1 A 6 6 ALA N N 6 123.242 122.291 0.951 1
1 33 . 6 1 1 A 7 7 SER H H 7 8.168 8.876 -0.708 1
1 34 . 6 1 1 A 7 7 SER HA H 7 4.543 4.545 -0.002 1
1 35 . 6 1 1 A 7 7 SER C C 7 177.957 175.628 2.329 1
1 36 . 6 1 1 A 7 7 SER CA C 7 59.090 58.402 0.688 1
1 37 . 6 1 1 A 7 7 SER CB C 7 64.084 64.215 -0.131 1
1 38 . 6 1 1 A 7 7 SER N N 7 115.046 119.123 -4.077 1
1 39 . 6 1 1 A 8 8 LEU H H 8 8.410 8.909 -0.499 1
1 40 . 6 1 1 A 8 8 LEU HA H 8 4.297 4.255 0.042 1
1 41 . 6 1 1 A 8 8 LEU C C 8 175.818 177.929 -2.111 1
1 42 . 6 1 1 A 8 8 LEU CA C 8 58.225 56.743 1.482 1
1 43 . 6 1 1 A 8 8 LEU CB C 8 42.057 41.539 0.518 1
1 44 . 6 1 1 A 8 8 LEU N N 8 124.101 124.541 -0.440 1
1 45 . 6 1 1 A 9 9 LEU H H 9 8.007 7.748 0.259 1
1 46 . 6 1 1 A 9 9 LEU HA H 9 4.245 4.274 -0.029 1
1 47 . 6 1 1 A 9 9 LEU C C 9 178.573 178.634 -0.061 1
1 48 . 6 1 1 A 9 9 LEU CA C 9 57.976 55.791 2.185 1
1 49 . 6 1 1 A 9 9 LEU CB C 9 41.475 41.755 -0.280 1
1 50 . 6 1 1 A 9 9 LEU N N 9 117.546 118.806 -1.260 1
1 51 . 6 1 1 A 10 10 SER H H 10 7.979 8.232 -0.253 1
1 52 . 6 1 1 A 10 10 SER HA H 10 4.320 4.094 0.226 1
1 53 . 6 1 1 A 10 10 SER C C 10 178.812 176.906 1.906 1
1 54 . 6 1 1 A 10 10 SER CA C 10 61.538 61.635 -0.097 1
1 55 . 6 1 1 A 10 10 SER CB C 10 62.776 63.021 -0.245 1
1 56 . 6 1 1 A 10 10 SER N N 10 114.105 115.467 -1.362 1
1 57 . 6 1 1 A 11 11 PHE H H 11 8.046 8.375 -0.329 1
1 58 . 6 1 1 A 11 11 PHE HA H 11 4.439 4.359 0.080 1
1 59 . 6 1 1 A 11 11 PHE C C 11 177.370 178.203 -0.833 1
1 60 . 6 1 1 A 11 11 PHE CA C 11 60.823 60.639 0.184 1
1 61 . 6 1 1 A 11 11 PHE CB C 11 39.190 38.946 0.244 1
1 62 . 6 1 1 A 11 11 PHE N N 11 122.342 119.640 2.702 1
1 63 . 6 1 1 A 12 12 MET H H 12 8.260 8.296 -0.036 1
1 64 . 6 1 1 A 12 12 MET HA H 12 4.303 4.180 0.123 1
1 65 . 6 1 1 A 12 12 MET C C 12 177.760 178.960 -1.200 1
1 66 . 6 1 1 A 12 12 MET CA C 12 58.034 58.773 -0.739 1
1 67 . 6 1 1 A 12 12 MET CB C 12 32.703 32.830 -0.127 1
1 68 . 6 1 1 A 12 12 MET N N 12 118.124 117.615 0.509 1
1 69 . 6 1 1 A 13 13 GLN H H 13 8.371 8.393 -0.022 1
1 70 . 6 1 1 A 13 13 GLN HA H 13 4.082 3.967 0.115 1
1 71 . 6 1 1 A 13 13 GLN C C 13 177.866 179.393 -1.527 1
1 72 . 6 1 1 A 13 13 GLN CA C 13 59.149 58.917 0.232 1
1 73 . 6 1 1 A 13 13 GLN CB C 13 28.792 28.406 0.386 1
1 74 . 6 1 1 A 13 13 GLN N N 13 118.154 119.459 -1.305 1
1 75 . 6 1 1 A 14 14 GLY H H 14 8.029 8.233 -0.204 1
1 76 . 6 1 1 A 14 14 GLY HA2 H 14 3.916 3.689 0.227 1
1 77 . 6 1 1 A 14 14 GLY C C 14 178.079 175.293 2.786 1
1 78 . 6 1 1 A 14 14 GLY CA C 14 46.795 47.173 -0.378 1
1 79 . 6 1 1 A 14 14 GLY N N 14 106.304 108.900 -2.596 1
1 80 . 6 1 1 A 15 15 TYR H H 15 7.950 8.438 -0.488 1
1 81 . 6 1 1 A 15 15 TYR HA H 15 4.307 4.141 0.166 1
1 82 . 6 1 1 A 15 15 TYR C C 15 175.811 177.425 -1.614 1
1 83 . 6 1 1 A 15 15 TYR CA C 15 61.112 61.606 -0.494 1
1 84 . 6 1 1 A 15 15 TYR CB C 15 39.251 38.786 0.465 1
1 85 . 6 1 1 A 15 15 TYR N N 15 121.528 123.628 -2.100 1
1 86 . 6 1 1 A 16 16 MET H H 16 8.199 8.100 0.099 1
1 87 . 6 1 1 A 16 16 MET HA H 16 4.307 4.048 0.259 1
1 88 . 6 1 1 A 16 16 MET C C 16 177.685 178.391 -0.706 1
1 89 . 6 1 1 A 16 16 MET CA C 16 57.476 58.852 -1.376 1
1 90 . 6 1 1 A 16 16 MET CB C 16 32.342 32.121 0.221 1
1 91 . 6 1 1 A 16 16 MET N N 16 117.173 117.444 -0.271 1
1 92 . 6 1 1 A 17 17 LYS H H 17 7.924 7.583 0.341 1
1 93 . 6 1 1 A 17 17 LYS HA H 17 4.190 4.060 0.130 1
1 94 . 6 1 1 A 17 17 LYS C C 17 177.849 178.602 -0.753 1
1 95 . 6 1 1 A 17 17 LYS CA C 17 58.393 59.123 -0.730 1
1 96 . 6 1 1 A 17 17 LYS CB C 17 32.311 32.355 -0.044 1
1 97 . 6 1 1 A 17 17 LYS N N 17 118.640 121.049 -2.409 1
1 98 . 6 1 1 A 18 18 HIS H H 18 7.889 8.634 -0.745 1
1 99 . 6 1 1 A 18 18 HIS HA H 18 4.542 4.149 0.393 1
1 100 . 6 1 1 A 18 18 HIS C C 18 177.796 177.177 0.619 1
1 101 . 6 1 1 A 18 18 HIS CA C 18 56.698 59.283 -2.585 1
1 102 . 6 1 1 A 18 18 HIS CB C 18 28.505 30.000 -1.495 1
1 103 . 6 1 1 A 18 18 HIS N N 18 116.031 120.091 -4.060 1
1 104 . 6 1 1 A 19 19 ALA H H 19 8.144 8.869 -0.725 1
1 105 . 6 1 1 A 19 19 ALA HA H 19 4.282 3.877 0.405 1
1 106 . 6 1 1 A 19 19 ALA C C 19 178.213 179.241 -1.028 1
1 107 . 6 1 1 A 19 19 ALA CA C 19 54.166 54.586 -0.420 1
1 108 . 6 1 1 A 19 19 ALA CB C 19 19.133 17.983 1.150 1
1 109 . 6 1 1 A 19 19 ALA N N 19 123.402 120.536 2.866 1
1 110 . 6 1 1 A 20 20 THR H H 20 8.186 7.337 0.849 1
1 111 . 6 1 1 A 20 20 THR HA H 20 4.128 3.947 0.181 1
1 112 . 6 1 1 A 20 20 THR C C 20 178.380 176.481 1.899 1
1 113 . 6 1 1 A 20 20 THR CA C 20 64.460 65.524 -1.064 1
1 114 . 6 1 1 A 20 20 THR CB C 20 69.213 68.492 0.721 1
1 115 . 6 1 1 A 20 20 THR N N 20 111.155 114.094 -2.939 1
1 116 . 6 1 1 A 21 21 LYS H H 21 7.715 8.349 -0.634 1
1 117 . 6 1 1 A 21 21 LYS HA H 21 4.349 3.969 0.380 1
1 118 . 6 1 1 A 21 21 LYS C C 21 175.517 179.446 -3.929 1
1 119 . 6 1 1 A 21 21 LYS CA C 21 58.000 59.445 -1.445 1
1 120 . 6 1 1 A 21 21 LYS CB C 21 32.848 32.256 0.592 1
1 121 . 6 1 1 A 21 21 LYS N N 21 121.662 120.574 1.088 1
1 122 . 6 1 1 A 22 22 THR H H 22 8.000 7.892 0.108 1
1 123 . 6 1 1 A 22 22 THR HA H 22 4.297 4.172 0.125 1
1 124 . 6 1 1 A 22 22 THR C C 22 177.240 176.655 0.585 1
1 125 . 6 1 1 A 22 22 THR CA C 22 64.040 64.515 -0.475 1
1 126 . 6 1 1 A 22 22 THR CB C 22 69.733 68.547 1.186 1
1 127 . 6 1 1 A 22 22 THR N N 22 113.812 112.519 1.293 1
1 128 . 6 1 1 A 23 23 ALA H H 23 8.412 7.711 0.701 1
1 129 . 6 1 1 A 23 23 ALA HA H 23 4.122 4.013 0.109 1
1 130 . 6 1 1 A 23 23 ALA C C 23 175.964 179.179 -3.215 1
1 131 . 6 1 1 A 23 23 ALA CA C 23 55.316 55.520 -0.204 1
1 132 . 6 1 1 A 23 23 ALA CB C 23 18.618 18.276 0.342 1
1 133 . 6 1 1 A 23 23 ALA N N 23 123.778 125.953 -2.175 1
1 134 . 6 1 1 A 24 24 LYS H H 24 8.205 7.853 0.352 1
1 135 . 6 1 1 A 24 24 LYS HA H 24 3.975 3.930 0.045 1
1 136 . 6 1 1 A 24 24 LYS C C 24 178.579 177.881 0.698 1
1 137 . 6 1 1 A 24 24 LYS CA C 24 59.821 59.769 0.052 1
1 138 . 6 1 1 A 24 24 LYS CB C 24 32.287 32.358 -0.071 1
1 139 . 6 1 1 A 24 24 LYS N N 24 116.572 118.399 -1.827 1
1 140 . 6 1 1 A 25 25 ASP H H 25 8.162 8.287 -0.125 1
1 141 . 6 1 1 A 25 25 ASP HA H 25 4.633 4.288 0.345 1
1 142 . 6 1 1 A 25 25 ASP C C 25 178.849 178.223 0.626 1
1 143 . 6 1 1 A 25 25 ASP CA C 25 56.667 57.968 -1.301 1
1 144 . 6 1 1 A 25 25 ASP CB C 25 39.431 41.541 -2.110 1
1 145 . 6 1 1 A 25 25 ASP N N 25 119.217 118.877 0.340 1
1 146 . 6 1 1 A 26 26 ALA H H 26 8.144 8.370 -0.226 1
1 147 . 6 1 1 A 26 26 ALA HA H 26 4.297 4.115 0.182 1
1 148 . 6 1 1 A 26 26 ALA C C 26 175.378 180.214 -4.836 1
1 149 . 6 1 1 A 26 26 ALA CA C 26 54.877 54.939 -0.062 1
1 150 . 6 1 1 A 26 26 ALA CB C 26 18.648 18.053 0.595 1
1 151 . 6 1 1 A 26 26 ALA N N 26 123.402 121.780 1.622 1
1 152 . 6 1 1 A 27 27 LEU H H 27 8.203 9.525 -1.322 1
1 153 . 6 1 1 A 27 27 LEU HA H 27 4.149 4.081 0.068 1
1 154 . 6 1 1 A 27 27 LEU C C 27 179.408 178.561 0.847 1
1 155 . 6 1 1 A 27 27 LEU CA C 27 57.457 57.285 0.172 1
1 156 . 6 1 1 A 27 27 LEU CB C 27 41.794 41.399 0.395 1
1 157 . 6 1 1 A 27 27 LEU N N 27 117.567 120.455 -2.888 1
1 158 . 6 1 1 A 28 28 SER H H 28 8.010 8.311 -0.301 1
1 159 . 6 1 1 A 28 28 SER HA H 28 4.348 4.246 0.102 1
1 160 . 6 1 1 A 28 28 SER C C 28 178.515 176.093 2.422 1
1 161 . 6 1 1 A 28 28 SER CA C 28 61.275 61.908 -0.633 1
1 162 . 6 1 1 A 28 28 SER CB C 28 63.339 62.885 0.454 1
1 163 . 6 1 1 A 28 28 SER N N 28 113.313 117.179 -3.866 1
1 164 . 6 1 1 A 29 29 SER H H 29 7.899 8.177 -0.278 1
1 165 . 6 1 1 A 29 29 SER HA H 29 4.483 4.408 0.075 1
1 166 . 6 1 1 A 29 29 SER C C 29 176.227 175.880 0.347 1
1 167 . 6 1 1 A 29 29 SER CA C 29 60.684 60.164 0.520 1
1 168 . 6 1 1 A 29 29 SER CB C 29 63.720 63.212 0.508 1
1 169 . 6 1 1 A 29 29 SER N N 29 116.193 115.611 0.582 1
1 170 . 6 1 1 A 30 30 VAL H H 30 7.832 8.064 -0.232 1
1 171 . 6 1 1 A 30 30 VAL HA H 30 4.131 3.933 0.198 1
1 172 . 6 1 1 A 30 30 VAL C C 30 175.982 176.892 -0.910 1
1 173 . 6 1 1 A 30 30 VAL CA C 30 64.518 64.293 0.225 1
1 174 . 6 1 1 A 30 30 VAL CB C 30 32.102 31.575 0.527 1
1 175 . 6 1 1 A 30 30 VAL N N 30 120.035 120.935 -0.900 1
1 176 . 6 1 1 A 31 31 GLN H H 31 8.252 8.181 0.071 1
1 177 . 6 1 1 A 31 31 GLN HA H 31 4.222 4.057 0.165 1
1 178 . 6 1 1 A 31 31 GLN C C 31 177.403 177.969 -0.566 1
1 179 . 6 1 1 A 31 31 GLN CA C 31 57.904 58.298 -0.394 1
1 180 . 6 1 1 A 31 31 GLN CB C 31 29.119 28.823 0.296 1
1 181 . 6 1 1 A 31 31 GLN N N 31 120.710 122.158 -1.448 1
1 182 . 6 1 1 A 32 32 GLU H H 32 8.049 8.082 -0.033 1
1 183 . 6 1 1 A 32 32 GLU HA H 32 4.320 4.167 0.153 1
1 184 . 6 1 1 A 32 32 GLU C C 32 176.734 178.419 -1.685 1
1 185 . 6 1 1 A 32 32 GLU CA C 32 57.116 58.379 -1.263 1
1 186 . 6 1 1 A 32 32 GLU CB C 32 28.505 29.702 -1.197 1
1 187 . 6 1 1 A 32 32 GLU N N 32 117.872 119.500 -1.628 1
1 188 . 6 1 1 A 33 33 SER H H 33 7.973 9.671 -1.698 1
1 189 . 6 1 1 A 33 33 SER HA H 33 4.454 4.260 0.194 1
1 190 . 6 1 1 A 33 33 SER C C 33 176.505 176.200 0.305 1
1 191 . 6 1 1 A 33 33 SER CA C 33 59.379 61.539 -2.160 1
1 192 . 6 1 1 A 33 33 SER CB C 33 64.359 62.884 1.475 1
1 193 . 6 1 1 A 33 33 SER N N 33 115.021 115.808 -0.787 1
1 194 . 6 1 1 A 34 34 GLN H H 34 8.379 7.885 0.494 1
1 195 . 6 1 1 A 34 34 GLN HA H 34 4.249 4.050 0.199 1
1 196 . 6 1 1 A 34 34 GLN C C 34 175.446 178.287 -2.841 1
1 197 . 6 1 1 A 34 34 GLN CA C 34 58.287 58.533 -0.246 1
1 198 . 6 1 1 A 34 34 GLN CB C 34 28.507 28.134 0.373 1
1 199 . 6 1 1 A 34 34 GLN N N 34 121.821 119.903 1.918 1
1 200 . 6 1 1 A 35 35 VAL H H 35 7.885 7.690 0.195 1
1 201 . 6 1 1 A 35 35 VAL HA H 35 3.890 3.878 0.012 1
1 202 . 6 1 1 A 35 35 VAL C C 35 178.220 177.422 0.798 1
1 203 . 6 1 1 A 35 35 VAL CA C 35 65.572 64.777 0.795 1
1 204 . 6 1 1 A 35 35 VAL CB C 35 31.809 31.307 0.502 1
1 205 . 6 1 1 A 35 35 VAL N N 35 118.193 117.488 0.705 1
1 206 . 6 1 1 A 36 36 ALA H H 36 7.941 8.012 -0.071 1
1 207 . 6 1 1 A 36 36 ALA HA H 36 4.017 4.015 0.002 1
1 208 . 6 1 1 A 36 36 ALA C C 36 175.366 180.325 -4.959 1
1 209 . 6 1 1 A 36 36 ALA CA C 36 55.299 55.506 -0.207 1
1 210 . 6 1 1 A 36 36 ALA CB C 36 18.710 18.560 0.150 1
1 211 . 6 1 1 A 36 36 ALA N N 36 121.942 124.775 -2.833 1
1 212 . 6 1 1 A 37 37 GLN H H 37 7.771 7.876 -0.105 1
1 213 . 6 1 1 A 37 37 GLN HA H 37 4.072 3.967 0.105 1
1 214 . 6 1 1 A 37 37 GLN C C 37 179.036 178.624 0.412 1
1 215 . 6 1 1 A 37 37 GLN CA C 37 58.656 59.183 -0.527 1
1 216 . 6 1 1 A 37 37 GLN CB C 37 28.583 28.115 0.468 1
1 217 . 6 1 1 A 37 37 GLN N N 37 115.154 117.479 -2.325 1
1 218 . 6 1 1 A 38 38 GLN H H 38 8.057 8.034 0.023 1
1 219 . 6 1 1 A 38 38 GLN HA H 38 4.161 4.019 0.142 1
1 220 . 6 1 1 A 38 38 GLN C C 38 178.965 178.412 0.553 1
1 221 . 6 1 1 A 38 38 GLN CA C 38 57.879 58.613 -0.734 1
1 222 . 6 1 1 A 38 38 GLN CB C 38 28.936 28.602 0.334 1
1 223 . 6 1 1 A 38 38 GLN N N 38 119.273 118.877 0.396 1
1 224 . 6 1 1 A 39 39 ALA H H 39 8.226 8.948 -0.722 1
1 225 . 6 1 1 A 39 39 ALA HA H 39 3.878 4.211 -0.333 1
1 226 . 6 1 1 A 39 39 ALA C C 39 178.002 179.707 -1.705 1
1 227 . 6 1 1 A 39 39 ALA CA C 39 54.780 55.170 -0.390 1
1 228 . 6 1 1 A 39 39 ALA CB C 39 18.626 18.623 0.003 1
1 229 . 6 1 1 A 39 39 ALA N N 39 121.849 122.487 -0.638 1
1 230 . 6 1 1 A 40 40 ARG H H 40 8.078 8.751 -0.673 1
1 231 . 6 1 1 A 40 40 ARG HA H 40 4.519 4.039 0.480 1
1 232 . 6 1 1 A 40 40 ARG C C 40 178.581 178.768 -0.187 1
1 233 . 6 1 1 A 40 40 ARG CA C 40 59.438 59.505 -0.067 1
1 234 . 6 1 1 A 40 40 ARG CB C 40 30.064 30.359 -0.295 1
1 235 . 6 1 1 A 40 40 ARG N N 40 116.166 118.867 -2.701 1
1 236 . 6 1 1 A 41 41 GLY H H 41 7.962 9.170 -1.208 1
1 237 . 6 1 1 A 41 41 GLY HA2 H 41 3.965 3.455 0.510 1
1 238 . 6 1 1 A 41 41 GLY C C 41 178.678 176.044 2.634 1
1 239 . 6 1 1 A 41 41 GLY CA C 41 46.734 47.199 -0.465 1
1 240 . 6 1 1 A 41 41 GLY N N 41 106.758 106.543 0.215 1
1 241 . 6 1 1 A 42 42 TRP H H 42 7.941 7.452 0.489 1
1 242 . 6 1 1 A 42 42 TRP HA H 42 4.027 4.713 -0.686 1
1 243 . 6 1 1 A 42 42 TRP C C 42 176.967 178.820 -1.853 1
1 244 . 6 1 1 A 42 42 TRP CA C 42 59.749 59.928 -0.179 1
1 245 . 6 1 1 A 42 42 TRP CB C 42 29.555 29.253 0.302 1
1 246 . 6 1 1 A 42 42 TRP N N 42 121.942 122.504 -0.562 1
1 247 . 6 1 1 A 43 43 VAL H H 43 8.025 8.102 -0.077 1
1 248 . 6 1 1 A 43 43 VAL HA H 43 3.848 3.695 0.153 1
1 249 . 6 1 1 A 43 43 VAL C C 43 178.333 177.870 0.463 1
1 250 . 6 1 1 A 43 43 VAL CA C 43 65.233 66.808 -1.575 1
1 251 . 6 1 1 A 43 43 VAL CB C 43 32.013 31.599 0.414 1
1 252 . 6 1 1 A 43 43 VAL N N 43 116.325 120.434 -4.109 1
1 253 . 6 1 1 A 44 44 THR H H 44 7.969 8.397 -0.428 1
1 254 . 6 1 1 A 44 44 THR HA H 44 4.239 3.900 0.339 1
1 255 . 6 1 1 A 44 44 THR C C 44 177.224 175.811 1.413 1
1 256 . 6 1 1 A 44 44 THR CA C 44 65.189 65.516 -0.327 1
1 257 . 6 1 1 A 44 44 THR CB C 44 69.255 69.071 0.184 1
1 258 . 6 1 1 A 44 44 THR N N 44 113.656 114.199 -0.543 1
1 259 . 6 1 1 A 45 45 ASP H H 45 8.195 7.492 0.703 1
1 260 . 6 1 1 A 45 45 ASP HA H 45 4.759 4.714 0.045 1
1 261 . 6 1 1 A 45 45 ASP C C 45 176.240 175.896 0.344 1
1 262 . 6 1 1 A 45 45 ASP CA C 45 55.102 54.203 0.899 1
1 263 . 6 1 1 A 45 45 ASP CB C 45 39.325 40.953 -1.628 1
1 264 . 6 1 1 A 45 45 ASP N N 45 120.741 118.136 2.605 1
1 265 . 6 1 1 A 46 46 GLY H H 46 8.193 7.930 0.263 1
1 266 . 6 1 1 A 46 46 GLY HA2 H 46 3.809 3.963 -0.154 1
1 267 . 6 1 1 A 46 46 GLY C C 46 177.272 175.314 1.958 1
1 268 . 6 1 1 A 46 46 GLY CA C 46 46.513 47.090 -0.577 1
1 269 . 6 1 1 A 46 46 GLY N N 46 108.690 107.967 0.723 1
1 270 . 6 1 1 A 47 47 PHE H H 47 8.371 8.070 0.301 1
1 271 . 6 1 1 A 47 47 PHE HA H 47 4.448 4.334 0.114 1
1 272 . 6 1 1 A 47 47 PHE C C 47 174.681 177.935 -3.254 1
1 273 . 6 1 1 A 47 47 PHE CA C 47 60.145 61.279 -1.134 1
1 274 . 6 1 1 A 47 47 PHE CB C 47 38.825 39.633 -0.808 1
1 275 . 6 1 1 A 47 47 PHE N N 47 119.504 120.775 -1.271 1
1 276 . 6 1 1 A 48 48 SER H H 48 8.160 8.177 -0.017 1
1 277 . 6 1 1 A 48 48 SER HA H 48 4.195 4.126 0.069 1
1 278 . 6 1 1 A 48 48 SER C C 48 177.055 176.213 0.842 1
1 279 . 6 1 1 A 48 48 SER CA C 48 61.834 62.050 -0.216 1
1 280 . 6 1 1 A 48 48 SER CB C 48 63.181 63.173 0.008 1
1 281 . 6 1 1 A 48 48 SER N N 48 113.986 115.952 -1.966 1
1 282 . 6 1 1 A 49 49 SER H H 49 8.050 8.223 -0.173 1
1 283 . 6 1 1 A 49 49 SER HA H 49 4.454 4.270 0.184 1
1 284 . 6 1 1 A 49 49 SER C C 49 176.526 175.679 0.847 1
1 285 . 6 1 1 A 49 49 SER CA C 49 61.217 61.396 -0.179 1
1 286 . 6 1 1 A 49 49 SER CB C 49 63.302 62.767 0.535 1
1 287 . 6 1 1 A 49 49 SER N N 49 116.779 118.256 -1.477 1
1 288 . 6 1 1 A 50 50 LEU H H 50 8.003 7.806 0.197 1
1 289 . 6 1 1 A 50 50 LEU HA H 50 4.293 3.982 0.311 1
1 290 . 6 1 1 A 50 50 LEU C C 50 175.754 179.085 -3.331 1
1 291 . 6 1 1 A 50 50 LEU CA C 50 58.134 56.749 1.385 1
1 292 . 6 1 1 A 50 50 LEU CB C 50 41.976 41.242 0.734 1
1 293 . 6 1 1 A 50 50 LEU N N 50 122.176 120.063 2.113 1
1 294 . 6 1 1 A 51 51 LYS H H 51 8.091 8.889 -0.798 1
1 295 . 6 1 1 A 51 51 LYS HA H 51 4.072 4.045 0.027 1
1 296 . 6 1 1 A 51 51 LYS C C 51 178.459 178.248 0.211 1
1 297 . 6 1 1 A 51 51 LYS CA C 51 60.375 60.055 0.320 1
1 298 . 6 1 1 A 51 51 LYS CB C 51 32.156 32.259 -0.103 1
1 299 . 6 1 1 A 51 51 LYS N N 51 117.526 121.161 -3.635 1
1 300 . 6 1 1 A 52 52 ASP H H 52 7.915 7.618 0.297 1
1 301 . 6 1 1 A 52 52 ASP HA H 52 4.594 4.341 0.253 1
1 302 . 6 1 1 A 52 52 ASP C C 52 178.854 178.015 0.839 1
1 303 . 6 1 1 A 52 52 ASP CA C 52 56.696 57.335 -0.639 1
1 304 . 6 1 1 A 52 52 ASP CB C 52 39.194 41.596 -2.402 1
1 305 . 6 1 1 A 52 52 ASP N N 52 119.070 119.342 -0.272 1
1 306 . 6 1 1 A 53 53 TYR H H 53 8.144 7.615 0.529 1
1 307 . 6 1 1 A 53 53 TYR HA H 53 4.630 4.339 0.291 1
1 308 . 6 1 1 A 53 53 TYR C C 53 178.269 177.455 0.814 1
1 309 . 6 1 1 A 53 53 TYR CA C 53 60.692 61.459 -0.767 1
1 310 . 6 1 1 A 53 53 TYR CB C 53 38.569 38.328 0.241 1
1 311 . 6 1 1 A 53 53 TYR N N 53 120.243 119.878 0.365 1
1 312 . 6 1 1 A 54 54 TRP H H 54 8.591 9.180 -0.589 1
1 313 . 6 1 1 A 54 54 TRP HA H 54 4.494 4.185 0.309 1
1 314 . 6 1 1 A 54 54 TRP C C 54 178.007 178.046 -0.039 1
1 315 . 6 1 1 A 54 54 TRP CA C 54 59.747 61.105 -1.358 1
1 316 . 6 1 1 A 54 54 TRP CB C 54 30.447 29.662 0.785 1
1 317 . 6 1 1 A 54 54 TRP N N 54 120.624 121.770 -1.146 1
1 318 . 6 1 1 A 55 55 SER H H 55 8.223 9.729 -1.506 1
1 319 . 6 1 1 A 55 55 SER HA H 55 3.906 3.816 0.090 1
1 320 . 6 1 1 A 55 55 SER C C 55 176.913 176.125 0.788 1
1 321 . 6 1 1 A 55 55 SER CA C 55 62.150 61.207 0.943 1
1 322 . 6 1 1 A 55 55 SER CB C 55 63.019 63.139 -0.120 1
1 323 . 6 1 1 A 55 55 SER N N 55 112.199 113.691 -1.492 1
1 324 . 6 1 1 A 56 56 THR H H 56 7.689 7.720 -0.031 1
1 325 . 6 1 1 A 56 56 THR HA H 56 4.104 3.943 0.161 1
1 326 . 6 1 1 A 56 56 THR C C 56 176.440 176.185 0.255 1
1 327 . 6 1 1 A 56 56 THR CA C 56 66.346 64.991 1.355 1
1 328 . 6 1 1 A 56 56 THR CB C 56 68.858 68.638 0.220 1
1 329 . 6 1 1 A 56 56 THR N N 56 117.331 115.021 2.310 1
1 330 . 6 1 1 A 57 57 VAL H H 57 7.960 7.591 0.369 1
1 331 . 6 1 1 A 57 57 VAL HA H 57 3.623 3.388 0.235 1
1 332 . 6 1 1 A 57 57 VAL C C 57 176.128 177.742 -1.614 1
1 333 . 6 1 1 A 57 57 VAL CA C 57 66.489 66.559 -0.070 1
1 334 . 6 1 1 A 57 57 VAL CB C 57 31.829 31.227 0.602 1
1 335 . 6 1 1 A 57 57 VAL N N 57 121.777 121.780 -0.003 1
1 336 . 6 1 1 A 58 58 LYS H H 58 8.100 7.657 0.443 1
1 337 . 6 1 1 A 58 58 LYS HA H 58 3.554 3.709 -0.155 1
1 338 . 6 1 1 A 58 58 LYS C C 58 177.265 178.261 -0.996 1
1 339 . 6 1 1 A 58 58 LYS CA C 58 60.174 59.620 0.554 1
1 340 . 6 1 1 A 58 58 LYS CB C 58 31.373 31.621 -0.248 1
1 341 . 6 1 1 A 58 58 LYS N N 58 119.262 119.670 -0.408 1
1 342 . 6 1 1 A 59 59 ASP H H 59 7.826 7.963 -0.137 1
1 343 . 6 1 1 A 59 59 ASP HA H 59 4.473 4.318 0.155 1
1 344 . 6 1 1 A 59 59 ASP C C 59 178.762 178.677 0.085 1
1 345 . 6 1 1 A 59 59 ASP CA C 59 56.562 57.224 -0.662 1
1 346 . 6 1 1 A 59 59 ASP CB C 59 39.446 40.169 -0.723 1
1 347 . 6 1 1 A 59 59 ASP N N 59 117.771 118.497 -0.726 1
1 348 . 6 1 1 A 60 60 LYS H H 60 8.052 9.305 -1.253 1
1 349 . 6 1 1 A 60 60 LYS HA H 60 4.141 4.082 0.059 1
1 350 . 6 1 1 A 60 60 LYS C C 60 178.220 179.226 -1.006 1
1 351 . 6 1 1 A 60 60 LYS CA C 60 58.383 58.563 -0.180 1
1 352 . 6 1 1 A 60 60 LYS CB C 60 32.095 32.313 -0.218 1
1 353 . 6 1 1 A 60 60 LYS N N 60 119.850 120.646 -0.796 1
1 354 . 6 1 1 A 61 61 PHE H H 61 8.301 8.342 -0.041 1
1 355 . 6 1 1 A 61 61 PHE HA H 61 4.337 4.164 0.173 1
1 356 . 6 1 1 A 61 61 PHE C C 61 178.462 177.969 0.493 1
1 357 . 6 1 1 A 61 61 PHE CA C 61 60.780 61.140 -0.360 1
1 358 . 6 1 1 A 61 61 PHE CB C 61 39.194 39.321 -0.127 1
1 359 . 6 1 1 A 61 61 PHE N N 61 118.056 120.954 -2.898 1
1 360 . 6 1 1 A 62 62 SER H H 62 8.160 8.457 -0.297 1
1 361 . 6 1 1 A 62 62 SER HA H 62 4.229 4.195 0.034 1
1 362 . 6 1 1 A 62 62 SER C C 62 177.060 177.188 -0.128 1
1 363 . 6 1 1 A 62 62 SER CA C 62 61.546 61.672 -0.126 1
1 364 . 6 1 1 A 62 62 SER CB C 62 63.368 62.691 0.677 1
1 365 . 6 1 1 A 62 62 SER N N 62 113.635 114.491 -0.856 1
1 366 . 6 1 1 A 63 63 GLU H H 63 7.847 8.073 -0.226 1
1 367 . 6 1 1 A 63 63 GLU HA H 63 4.200 4.150 0.050 1
1 368 . 6 1 1 A 63 63 GLU C C 63 175.917 179.214 -3.297 1
1 369 . 6 1 1 A 63 63 GLU CA C 63 57.833 58.820 -0.987 1
1 370 . 6 1 1 A 63 63 GLU CB C 63 28.314 29.472 -1.158 1
1 371 . 6 1 1 A 63 63 GLU N N 63 119.485 121.676 -2.191 1
1 372 . 6 1 1 A 64 64 PHE H H 64 7.792 8.510 -0.718 1
1 373 . 6 1 1 A 64 64 PHE HA H 64 4.448 4.089 0.359 1
1 374 . 6 1 1 A 64 64 PHE C C 64 177.370 177.753 -0.383 1
1 375 . 6 1 1 A 64 64 PHE CA C 64 59.714 60.694 -0.980 1
1 376 . 6 1 1 A 64 64 PHE CB C 64 39.825 39.269 0.556 1
1 377 . 6 1 1 A 64 64 PHE N N 64 118.506 121.080 -2.574 1
1 378 . 6 1 1 A 65 65 TRP H H 65 7.776 8.007 -0.231 1
1 379 . 6 1 1 A 65 65 TRP HA H 65 4.524 4.087 0.437 1
1 380 . 6 1 1 A 65 65 TRP C C 65 175.868 175.940 -0.072 1
1 381 . 6 1 1 A 65 65 TRP CA C 65 57.472 60.150 -2.678 1
1 382 . 6 1 1 A 65 65 TRP CB C 65 30.031 29.777 0.254 1
1 383 . 6 1 1 A 65 65 TRP N N 65 118.247 120.630 -2.383 1
1 384 . 6 1 1 A 66 66 ASP H H 66 7.832 7.545 0.287 1
1 385 . 6 1 1 A 66 66 ASP HA H 66 4.708 4.637 0.071 1
1 386 . 6 1 1 A 66 66 ASP C C 66 175.345 175.142 0.203 1
1 387 . 6 1 1 A 66 66 ASP CA C 66 53.378 54.313 -0.935 1
1 388 . 6 1 1 A 66 66 ASP CB C 66 38.672 41.994 -3.322 1
1 389 . 6 1 1 A 66 66 ASP N N 66 119.198 117.929 1.269 1
1 390 . 6 1 1 A 67 67 LEU H H 67 7.877 8.618 -0.741 1
1 391 . 6 1 1 A 67 67 LEU HA H 67 4.346 4.795 -0.449 1
1 392 . 6 1 1 A 67 67 LEU C C 67 175.060 174.608 0.452 1
1 393 . 6 1 1 A 67 67 LEU CA C 67 55.458 52.189 3.269 1
1 394 . 6 1 1 A 67 67 LEU CB C 67 42.444 44.466 -2.022 1
1 395 . 6 1 1 A 67 67 LEU N N 67 121.856 122.448 -0.592 1
1 396 . 6 1 1 A 68 68 ASP H H 68 7.939 8.448 -0.509 1
1 397 . 6 1 1 A 68 68 ASP HA H 68 4.571 4.720 -0.149 1
1 398 . 6 1 1 A 68 68 ASP C C 68 176.528 176.137 0.391 1
1 399 . 6 1 1 A 68 68 ASP CA C 68 54.086 52.754 1.332 1
1 400 . 6 1 1 A 68 68 ASP CB C 68 40.423 40.287 0.136 1
1 401 . 6 1 1 A 68 68 ASP N N 68 122.966 121.754 1.212 1
1 402 . 6 1 1 A 69 69 PRO CA C 69 62.556 64.279 -1.723 1
1 403 . 6 1 1 A 69 69 PRO CB C 69 32.514 31.977 0.537 1
1 404 . 6 1 1 A 70 70 GLU H H 70 8.627 8.135 0.492 1
1 405 . 6 1 1 A 70 70 GLU HA H 70 4.532 4.716 -0.184 1
1 406 . 6 1 1 A 70 70 GLU C C 70 172.210 174.250 -2.040 1
1 407 . 6 1 1 A 70 70 GLU CA C 70 56.488 55.169 1.319 1
1 408 . 6 1 1 A 70 70 GLU CB C 70 29.544 31.298 -1.754 1
1 409 . 6 1 1 A 70 70 GLU N N 70 120.105 118.931 1.174 1
1 410 . 6 1 1 A 71 71 VAL H H 71 7.826 8.781 -0.955 1
1 411 . 6 1 1 A 71 71 VAL HA H 71 4.210 4.510 -0.300 1
1 412 . 6 1 1 A 71 71 VAL C C 71 175.329 174.490 0.839 1
1 413 . 6 1 1 A 71 71 VAL CA C 71 61.895 61.147 0.748 1
1 414 . 6 1 1 A 71 71 VAL CB C 71 33.096 32.332 0.764 1
1 415 . 6 1 1 A 71 71 VAL N N 71 119.356 126.177 -6.821 1
1 416 . 6 1 1 A 72 72 ARG H H 72 8.103 8.227 -0.124 1
1 417 . 6 1 1 A 72 72 ARG HA H 72 4.757 4.752 0.005 1
1 418 . 6 1 1 A 72 72 ARG C C 72 174.732 175.208 -0.476 1
1 419 . 6 1 1 A 72 72 ARG CA C 72 53.719 52.501 1.218 1
1 420 . 6 1 1 A 72 72 ARG CB C 72 30.795 31.675 -0.880 1
1 421 . 6 1 1 A 72 72 ARG N N 72 122.861 128.429 -5.568 1
1 422 . 6 1 1 A 73 73 PRO CA C 73 64.693 64.594 0.099 1
1 423 . 6 1 1 A 73 73 PRO CB C 73 31.605 32.015 -0.410 1
1 424 . 6 1 1 A 74 74 THR H H 74 7.959 7.555 0.404 1
1 425 . 6 1 1 A 74 74 THR HA H 74 4.131 3.995 0.136 1
1 426 . 6 1 1 A 74 74 THR C C 74 176.913 176.115 0.798 1
1 427 . 6 1 1 A 74 74 THR CA C 74 64.309 65.524 -1.215 1
1 428 . 6 1 1 A 74 74 THR CB C 74 69.160 68.816 0.344 1
1 429 . 6 1 1 A 74 74 THR N N 74 110.152 112.263 -2.111 1
1 430 . 6 1 1 A 75 75 SER H H 75 7.997 8.237 -0.240 1
1 431 . 6 1 1 A 75 75 SER HA H 75 4.483 4.065 0.418 1
1 432 . 6 1 1 A 75 75 SER C C 75 176.093 176.287 -0.194 1
1 433 . 6 1 1 A 75 75 SER CA C 75 60.300 62.230 -1.930 1
1 434 . 6 1 1 A 75 75 SER CB C 75 63.327 62.636 0.691 1
1 435 . 6 1 1 A 75 75 SER N N 75 117.147 115.529 1.618 1
1 436 . 6 1 1 A 76 76 ALA H H 76 8.109 7.878 0.231 1
1 437 . 6 1 1 A 76 76 ALA HA H 76 4.219 4.079 0.140 1
1 438 . 6 1 1 A 76 76 ALA C C 76 175.737 180.017 -4.280 1
1 439 . 6 1 1 A 76 76 ALA CA C 76 54.932 55.319 -0.387 1
1 440 . 6 1 1 A 76 76 ALA CB C 76 18.773 18.663 0.110 1
1 441 . 6 1 1 A 76 76 ALA N N 76 124.803 123.392 1.411 1
1 442 . 6 1 1 A 77 77 VAL H H 77 7.798 7.832 -0.034 1
1 443 . 6 1 1 A 77 77 VAL HA H 77 3.682 3.513 0.169 1
1 444 . 6 1 1 A 77 77 VAL C C 77 178.536 178.166 0.370 1
1 445 . 6 1 1 A 77 77 VAL CA C 77 66.335 66.617 -0.282 1
1 446 . 6 1 1 A 77 77 VAL CB C 77 31.744 31.583 0.161 1
1 447 . 6 1 1 A 77 77 VAL N N 77 115.730 117.559 -1.829 1
1 448 . 6 1 1 A 78 78 ALA H H 78 7.832 8.112 -0.280 1
1 449 . 6 1 1 A 78 78 ALA HA H 78 4.115 4.135 -0.020 1
1 450 . 6 1 1 A 78 78 ALA C C 78 177.362 177.915 -0.553 1
1 451 . 6 1 1 A 78 78 ALA CA C 78 54.902 54.796 0.106 1
1 452 . 6 1 1 A 78 78 ALA CB C 78 18.311 19.364 -1.053 1
1 453 . 6 1 1 A 78 78 ALA N N 78 121.924 121.616 0.308 1
1 3 . 7 1 1 A 2 2 GLU H H 2 8.776 7.514 1.262 1
1 4 . 7 1 1 A 2 2 GLU HA H 2 4.415 4.628 -0.213 1
1 5 . 7 1 1 A 2 2 GLU C C 2 171.203 174.450 -3.247 1
1 6 . 7 1 1 A 2 2 GLU CA C 2 56.971 56.050 0.921 1
1 7 . 7 1 1 A 2 2 GLU CB C 2 29.269 32.569 -3.300 1
1 8 . 7 1 1 A 2 2 GLU N N 2 121.323 121.511 -0.188 1
1 9 . 7 1 1 A 3 3 ALA H H 3 8.283 8.743 -0.460 1
1 10 . 7 1 1 A 3 3 ALA HA H 3 4.317 4.368 -0.051 1
1 11 . 7 1 1 A 3 3 ALA C C 3 176.007 178.170 -2.163 1
1 12 . 7 1 1 A 3 3 ALA CA C 3 53.244 52.395 0.849 1
1 13 . 7 1 1 A 3 3 ALA CB C 3 19.153 18.717 0.436 1
1 14 . 7 1 1 A 3 3 ALA N N 3 123.378 129.612 -6.234 1
1 15 . 7 1 1 A 4 4 GLU H H 4 8.109 8.907 -0.798 1
1 16 . 7 1 1 A 4 4 GLU HA H 4 4.366 4.219 0.147 1
1 17 . 7 1 1 A 4 4 GLU C C 4 177.975 178.216 -0.241 1
1 18 . 7 1 1 A 4 4 GLU CA C 4 56.850 58.624 -1.774 1
1 19 . 7 1 1 A 4 4 GLU CB C 4 29.078 29.262 -0.184 1
1 20 . 7 1 1 A 4 4 GLU N N 4 118.121 125.030 -6.909 1
1 21 . 7 1 1 A 5 5 ASP H H 5 8.201 8.037 0.164 1
1 22 . 7 1 1 A 5 5 ASP HA H 5 4.659 4.382 0.277 1
1 23 . 7 1 1 A 5 5 ASP C C 5 176.393 177.848 -1.455 1
1 24 . 7 1 1 A 5 5 ASP CA C 5 54.166 57.170 -3.004 1
1 25 . 7 1 1 A 5 5 ASP CB C 5 39.422 40.261 -0.839 1
1 26 . 7 1 1 A 5 5 ASP N N 5 119.089 118.531 0.558 1
1 27 . 7 1 1 A 6 6 ALA H H 6 8.045 7.247 0.798 1
1 28 . 7 1 1 A 6 6 ALA HA H 6 4.376 4.200 0.176 1
1 29 . 7 1 1 A 6 6 ALA C C 6 175.403 177.262 -1.859 1
1 30 . 7 1 1 A 6 6 ALA CA C 6 53.166 52.738 0.428 1
1 31 . 7 1 1 A 6 6 ALA CB C 6 19.232 18.923 0.309 1
1 32 . 7 1 1 A 6 6 ALA N N 6 123.242 122.895 0.347 1
1 33 . 7 1 1 A 7 7 SER H H 7 8.168 8.619 -0.451 1
1 34 . 7 1 1 A 7 7 SER HA H 7 4.543 4.916 -0.373 1
1 35 . 7 1 1 A 7 7 SER C C 7 177.957 176.214 1.743 1
1 36 . 7 1 1 A 7 7 SER CA C 7 59.090 57.385 1.705 1
1 37 . 7 1 1 A 7 7 SER CB C 7 64.084 65.563 -1.479 1
1 38 . 7 1 1 A 7 7 SER N N 7 115.046 118.935 -3.889 1
1 39 . 7 1 1 A 8 8 LEU H H 8 8.410 8.892 -0.482 1
1 40 . 7 1 1 A 8 8 LEU HA H 8 4.297 4.227 0.070 1
1 41 . 7 1 1 A 8 8 LEU C C 8 175.818 177.941 -2.123 1
1 42 . 7 1 1 A 8 8 LEU CA C 8 58.225 56.798 1.427 1
1 43 . 7 1 1 A 8 8 LEU CB C 8 42.057 41.549 0.508 1
1 44 . 7 1 1 A 8 8 LEU N N 8 124.101 121.773 2.328 1
1 45 . 7 1 1 A 9 9 LEU H H 9 8.007 7.723 0.284 1
1 46 . 7 1 1 A 9 9 LEU HA H 9 4.245 4.246 -0.001 1
1 47 . 7 1 1 A 9 9 LEU C C 9 178.573 177.953 0.620 1
1 48 . 7 1 1 A 9 9 LEU CA C 9 57.976 55.836 2.140 1
1 49 . 7 1 1 A 9 9 LEU CB C 9 41.475 41.763 -0.288 1
1 50 . 7 1 1 A 9 9 LEU N N 9 117.546 118.920 -1.374 1
1 51 . 7 1 1 A 10 10 SER H H 10 7.979 8.335 -0.356 1
1 52 . 7 1 1 A 10 10 SER HA H 10 4.320 4.115 0.205 1
1 53 . 7 1 1 A 10 10 SER C C 10 178.812 176.920 1.892 1
1 54 . 7 1 1 A 10 10 SER CA C 10 61.538 62.531 -0.993 1
1 55 . 7 1 1 A 10 10 SER CB C 10 62.776 62.702 0.074 1
1 56 . 7 1 1 A 10 10 SER N N 10 114.105 116.332 -2.227 1
1 57 . 7 1 1 A 11 11 PHE H H 11 8.046 8.403 -0.357 1
1 58 . 7 1 1 A 11 11 PHE HA H 11 4.439 4.357 0.082 1
1 59 . 7 1 1 A 11 11 PHE C C 11 177.370 178.092 -0.722 1
1 60 . 7 1 1 A 11 11 PHE CA C 11 60.823 60.650 0.173 1
1 61 . 7 1 1 A 11 11 PHE CB C 11 39.190 39.020 0.170 1
1 62 . 7 1 1 A 11 11 PHE N N 11 122.342 119.556 2.786 1
1 63 . 7 1 1 A 12 12 MET H H 12 8.260 8.340 -0.080 1
1 64 . 7 1 1 A 12 12 MET HA H 12 4.303 4.088 0.215 1
1 65 . 7 1 1 A 12 12 MET C C 12 177.760 177.981 -0.221 1
1 66 . 7 1 1 A 12 12 MET CA C 12 58.034 58.516 -0.482 1
1 67 . 7 1 1 A 12 12 MET CB C 12 32.703 32.385 0.318 1
1 68 . 7 1 1 A 12 12 MET N N 12 118.124 118.111 0.013 1
1 69 . 7 1 1 A 13 13 GLN H H 13 8.371 8.322 0.049 1
1 70 . 7 1 1 A 13 13 GLN HA H 13 4.082 3.967 0.115 1
1 71 . 7 1 1 A 13 13 GLN C C 13 177.866 179.390 -1.524 1
1 72 . 7 1 1 A 13 13 GLN CA C 13 59.149 58.976 0.173 1
1 73 . 7 1 1 A 13 13 GLN CB C 13 28.792 28.399 0.393 1
1 74 . 7 1 1 A 13 13 GLN N N 13 118.154 118.446 -0.292 1
1 75 . 7 1 1 A 14 14 GLY H H 14 8.029 8.257 -0.228 1
1 76 . 7 1 1 A 14 14 GLY HA2 H 14 3.916 3.687 0.229 1
1 77 . 7 1 1 A 14 14 GLY C C 14 178.079 175.290 2.789 1
1 78 . 7 1 1 A 14 14 GLY CA C 14 46.795 47.200 -0.405 1
1 79 . 7 1 1 A 14 14 GLY N N 14 106.304 108.902 -2.598 1
1 80 . 7 1 1 A 15 15 TYR H H 15 7.950 8.566 -0.616 1
1 81 . 7 1 1 A 15 15 TYR HA H 15 4.307 4.143 0.164 1
1 82 . 7 1 1 A 15 15 TYR C C 15 175.811 177.597 -1.786 1
1 83 . 7 1 1 A 15 15 TYR CA C 15 61.112 61.616 -0.504 1
1 84 . 7 1 1 A 15 15 TYR CB C 15 39.251 38.744 0.507 1
1 85 . 7 1 1 A 15 15 TYR N N 15 121.528 123.609 -2.081 1
1 86 . 7 1 1 A 16 16 MET H H 16 8.199 8.367 -0.168 1
1 87 . 7 1 1 A 16 16 MET HA H 16 4.307 4.257 0.050 1
1 88 . 7 1 1 A 16 16 MET C C 16 177.685 178.190 -0.505 1
1 89 . 7 1 1 A 16 16 MET CA C 16 57.476 58.222 -0.746 1
1 90 . 7 1 1 A 16 16 MET CB C 16 32.342 32.151 0.191 1
1 91 . 7 1 1 A 16 16 MET N N 16 117.173 118.260 -1.087 1
1 92 . 7 1 1 A 17 17 LYS H H 17 7.924 7.954 -0.030 1
1 93 . 7 1 1 A 17 17 LYS HA H 17 4.190 4.064 0.126 1
1 94 . 7 1 1 A 17 17 LYS C C 17 177.849 178.766 -0.917 1
1 95 . 7 1 1 A 17 17 LYS CA C 17 58.393 58.989 -0.596 1
1 96 . 7 1 1 A 17 17 LYS CB C 17 32.311 32.090 0.221 1
1 97 . 7 1 1 A 17 17 LYS N N 17 118.640 120.879 -2.239 1
1 98 . 7 1 1 A 18 18 HIS H H 18 7.889 8.553 -0.664 1
1 99 . 7 1 1 A 18 18 HIS HA H 18 4.542 4.169 0.373 1
1 100 . 7 1 1 A 18 18 HIS C C 18 177.796 177.056 0.740 1
1 101 . 7 1 1 A 18 18 HIS CA C 18 56.698 59.165 -2.467 1
1 102 . 7 1 1 A 18 18 HIS CB C 18 28.505 30.087 -1.582 1
1 103 . 7 1 1 A 18 18 HIS N N 18 116.031 120.015 -3.984 1
1 104 . 7 1 1 A 19 19 ALA H H 19 8.144 8.763 -0.619 1
1 105 . 7 1 1 A 19 19 ALA HA H 19 4.282 3.890 0.392 1
1 106 . 7 1 1 A 19 19 ALA C C 19 178.213 179.965 -1.752 1
1 107 . 7 1 1 A 19 19 ALA CA C 19 54.166 54.537 -0.371 1
1 108 . 7 1 1 A 19 19 ALA CB C 19 19.133 17.988 1.145 1
1 109 . 7 1 1 A 19 19 ALA N N 19 123.402 120.540 2.862 1
1 110 . 7 1 1 A 20 20 THR H H 20 8.186 7.712 0.474 1
1 111 . 7 1 1 A 20 20 THR HA H 20 4.128 4.098 0.030 1
1 112 . 7 1 1 A 20 20 THR C C 20 178.380 177.204 1.176 1
1 113 . 7 1 1 A 20 20 THR CA C 20 64.460 64.592 -0.132 1
1 114 . 7 1 1 A 20 20 THR CB C 20 69.213 68.657 0.556 1
1 115 . 7 1 1 A 20 20 THR N N 20 111.155 111.763 -0.608 1
1 116 . 7 1 1 A 21 21 LYS H H 21 7.715 8.441 -0.726 1
1 117 . 7 1 1 A 21 21 LYS HA H 21 4.349 3.973 0.376 1
1 118 . 7 1 1 A 21 21 LYS C C 21 175.517 179.723 -4.206 1
1 119 . 7 1 1 A 21 21 LYS CA C 21 58.000 59.392 -1.392 1
1 120 . 7 1 1 A 21 21 LYS CB C 21 32.848 32.310 0.538 1
1 121 . 7 1 1 A 21 21 LYS N N 21 121.662 122.709 -1.047 1
1 122 . 7 1 1 A 22 22 THR H H 22 8.000 7.909 0.091 1
1 123 . 7 1 1 A 22 22 THR HA H 22 4.297 3.961 0.336 1
1 124 . 7 1 1 A 22 22 THR C C 22 177.240 176.191 1.049 1
1 125 . 7 1 1 A 22 22 THR CA C 22 64.040 65.461 -1.421 1
1 126 . 7 1 1 A 22 22 THR CB C 22 69.733 68.249 1.484 1
1 127 . 7 1 1 A 22 22 THR N N 22 113.812 117.892 -4.080 1
1 128 . 7 1 1 A 23 23 ALA H H 23 8.412 7.703 0.709 1
1 129 . 7 1 1 A 23 23 ALA HA H 23 4.122 4.012 0.110 1
1 130 . 7 1 1 A 23 23 ALA C C 23 175.964 179.171 -3.207 1
1 131 . 7 1 1 A 23 23 ALA CA C 23 55.316 55.365 -0.049 1
1 132 . 7 1 1 A 23 23 ALA CB C 23 18.618 18.309 0.309 1
1 133 . 7 1 1 A 23 23 ALA N N 23 123.778 123.765 0.013 1
1 134 . 7 1 1 A 24 24 LYS H H 24 8.205 7.856 0.349 1
1 135 . 7 1 1 A 24 24 LYS HA H 24 3.975 3.929 0.046 1
1 136 . 7 1 1 A 24 24 LYS C C 24 178.579 178.241 0.338 1
1 137 . 7 1 1 A 24 24 LYS CA C 24 59.821 59.768 0.053 1
1 138 . 7 1 1 A 24 24 LYS CB C 24 32.287 32.343 -0.056 1
1 139 . 7 1 1 A 24 24 LYS N N 24 116.572 118.389 -1.817 1
1 140 . 7 1 1 A 25 25 ASP H H 25 8.162 8.378 -0.216 1
1 141 . 7 1 1 A 25 25 ASP HA H 25 4.633 4.310 0.323 1
1 142 . 7 1 1 A 25 25 ASP C C 25 178.849 178.959 -0.110 1
1 143 . 7 1 1 A 25 25 ASP CA C 25 56.667 57.298 -0.631 1
1 144 . 7 1 1 A 25 25 ASP CB C 25 39.431 40.200 -0.769 1
1 145 . 7 1 1 A 25 25 ASP N N 25 119.217 118.475 0.742 1
1 146 . 7 1 1 A 26 26 ALA H H 26 8.144 8.311 -0.167 1
1 147 . 7 1 1 A 26 26 ALA HA H 26 4.297 4.097 0.200 1
1 148 . 7 1 1 A 26 26 ALA C C 26 175.378 179.958 -4.580 1
1 149 . 7 1 1 A 26 26 ALA CA C 26 54.877 54.931 -0.054 1
1 150 . 7 1 1 A 26 26 ALA CB C 26 18.648 18.098 0.550 1
1 151 . 7 1 1 A 26 26 ALA N N 26 123.402 122.770 0.632 1
1 152 . 7 1 1 A 27 27 LEU H H 27 8.203 9.727 -1.524 1
1 153 . 7 1 1 A 27 27 LEU HA H 27 4.149 3.898 0.251 1
1 154 . 7 1 1 A 27 27 LEU C C 27 179.408 179.269 0.139 1
1 155 . 7 1 1 A 27 27 LEU CA C 27 57.457 58.111 -0.654 1
1 156 . 7 1 1 A 27 27 LEU CB C 27 41.794 41.220 0.574 1
1 157 . 7 1 1 A 27 27 LEU N N 27 117.567 119.328 -1.761 1
1 158 . 7 1 1 A 28 28 SER H H 28 8.010 8.557 -0.547 1
1 159 . 7 1 1 A 28 28 SER HA H 28 4.348 4.257 0.091 1
1 160 . 7 1 1 A 28 28 SER C C 28 178.515 175.759 2.756 1
1 161 . 7 1 1 A 28 28 SER CA C 28 61.275 61.652 -0.377 1
1 162 . 7 1 1 A 28 28 SER CB C 28 63.339 62.806 0.533 1
1 163 . 7 1 1 A 28 28 SER N N 28 113.313 114.059 -0.746 1
1 164 . 7 1 1 A 29 29 SER H H 29 7.899 8.409 -0.510 1
1 165 . 7 1 1 A 29 29 SER HA H 29 4.483 4.450 0.033 1
1 166 . 7 1 1 A 29 29 SER C C 29 176.227 175.999 0.228 1
1 167 . 7 1 1 A 29 29 SER CA C 29 60.684 60.204 0.480 1
1 168 . 7 1 1 A 29 29 SER CB C 29 63.720 63.195 0.525 1
1 169 . 7 1 1 A 29 29 SER N N 29 116.193 115.983 0.210 1
1 170 . 7 1 1 A 30 30 VAL H H 30 7.832 8.011 -0.179 1
1 171 . 7 1 1 A 30 30 VAL HA H 30 4.131 3.966 0.165 1
1 172 . 7 1 1 A 30 30 VAL C C 30 175.982 177.768 -1.786 1
1 173 . 7 1 1 A 30 30 VAL CA C 30 64.518 64.295 0.223 1
1 174 . 7 1 1 A 30 30 VAL CB C 30 32.102 31.594 0.508 1
1 175 . 7 1 1 A 30 30 VAL N N 30 120.035 120.968 -0.933 1
1 176 . 7 1 1 A 31 31 GLN H H 31 8.252 8.024 0.228 1
1 177 . 7 1 1 A 31 31 GLN HA H 31 4.222 4.049 0.173 1
1 178 . 7 1 1 A 31 31 GLN C C 31 177.403 177.801 -0.398 1
1 179 . 7 1 1 A 31 31 GLN CA C 31 57.904 58.716 -0.812 1
1 180 . 7 1 1 A 31 31 GLN CB C 31 29.119 28.226 0.893 1
1 181 . 7 1 1 A 31 31 GLN N N 31 120.710 121.733 -1.023 1
1 182 . 7 1 1 A 32 32 GLU H H 32 8.049 8.087 -0.038 1
1 183 . 7 1 1 A 32 32 GLU HA H 32 4.320 4.172 0.148 1
1 184 . 7 1 1 A 32 32 GLU C C 32 176.734 178.500 -1.766 1
1 185 . 7 1 1 A 32 32 GLU CA C 32 57.116 57.983 -0.867 1
1 186 . 7 1 1 A 32 32 GLU CB C 32 28.505 29.718 -1.213 1
1 187 . 7 1 1 A 32 32 GLU N N 32 117.872 120.582 -2.710 1
1 188 . 7 1 1 A 33 33 SER H H 33 7.973 9.529 -1.556 1
1 189 . 7 1 1 A 33 33 SER HA H 33 4.454 4.247 0.207 1
1 190 . 7 1 1 A 33 33 SER C C 33 176.505 176.663 -0.158 1
1 191 . 7 1 1 A 33 33 SER CA C 33 59.379 61.621 -2.242 1
1 192 . 7 1 1 A 33 33 SER CB C 33 64.359 62.943 1.416 1
1 193 . 7 1 1 A 33 33 SER N N 33 115.021 115.840 -0.819 1
1 194 . 7 1 1 A 34 34 GLN H H 34 8.379 8.159 0.220 1
1 195 . 7 1 1 A 34 34 GLN HA H 34 4.249 4.096 0.153 1
1 196 . 7 1 1 A 34 34 GLN C C 34 175.446 177.370 -1.924 1
1 197 . 7 1 1 A 34 34 GLN CA C 34 58.287 58.190 0.097 1
1 198 . 7 1 1 A 34 34 GLN CB C 34 28.507 27.448 1.059 1
1 199 . 7 1 1 A 34 34 GLN N N 34 121.821 119.132 2.689 1
1 200 . 7 1 1 A 35 35 VAL H H 35 7.885 7.602 0.283 1
1 201 . 7 1 1 A 35 35 VAL HA H 35 3.890 3.793 0.097 1
1 202 . 7 1 1 A 35 35 VAL C C 35 178.220 178.263 -0.043 1
1 203 . 7 1 1 A 35 35 VAL CA C 35 65.572 65.846 -0.274 1
1 204 . 7 1 1 A 35 35 VAL CB C 35 31.809 31.871 -0.062 1
1 205 . 7 1 1 A 35 35 VAL N N 35 118.193 120.718 -2.525 1
1 206 . 7 1 1 A 36 36 ALA H H 36 7.941 8.087 -0.146 1
1 207 . 7 1 1 A 36 36 ALA HA H 36 4.017 4.030 -0.013 1
1 208 . 7 1 1 A 36 36 ALA C C 36 175.366 180.343 -4.977 1
1 209 . 7 1 1 A 36 36 ALA CA C 36 55.299 55.455 -0.156 1
1 210 . 7 1 1 A 36 36 ALA CB C 36 18.710 18.562 0.148 1
1 211 . 7 1 1 A 36 36 ALA N N 36 121.942 122.381 -0.439 1
1 212 . 7 1 1 A 37 37 GLN H H 37 7.771 7.916 -0.145 1
1 213 . 7 1 1 A 37 37 GLN HA H 37 4.072 3.987 0.085 1
1 214 . 7 1 1 A 37 37 GLN C C 37 179.036 178.696 0.340 1
1 215 . 7 1 1 A 37 37 GLN CA C 37 58.656 59.209 -0.553 1
1 216 . 7 1 1 A 37 37 GLN CB C 37 28.583 28.134 0.449 1
1 217 . 7 1 1 A 37 37 GLN N N 37 115.154 117.500 -2.346 1
1 218 . 7 1 1 A 38 38 GLN H H 38 8.057 8.071 -0.014 1
1 219 . 7 1 1 A 38 38 GLN HA H 38 4.161 4.118 0.043 1
1 220 . 7 1 1 A 38 38 GLN C C 38 178.965 178.524 0.441 1
1 221 . 7 1 1 A 38 38 GLN CA C 38 57.879 58.691 -0.812 1
1 222 . 7 1 1 A 38 38 GLN CB C 38 28.936 28.669 0.267 1
1 223 . 7 1 1 A 38 38 GLN N N 38 119.273 118.961 0.312 1
1 224 . 7 1 1 A 39 39 ALA H H 39 8.226 9.093 -0.867 1
1 225 . 7 1 1 A 39 39 ALA HA H 39 3.878 4.275 -0.397 1
1 226 . 7 1 1 A 39 39 ALA C C 39 178.002 180.225 -2.223 1
1 227 . 7 1 1 A 39 39 ALA CA C 39 54.780 55.206 -0.426 1
1 228 . 7 1 1 A 39 39 ALA CB C 39 18.626 18.567 0.059 1
1 229 . 7 1 1 A 39 39 ALA N N 39 121.849 122.556 -0.707 1
1 230 . 7 1 1 A 40 40 ARG H H 40 8.078 9.348 -1.270 1
1 231 . 7 1 1 A 40 40 ARG HA H 40 4.519 4.006 0.513 1
1 232 . 7 1 1 A 40 40 ARG C C 40 178.581 179.416 -0.835 1
1 233 . 7 1 1 A 40 40 ARG CA C 40 59.438 58.733 0.705 1
1 234 . 7 1 1 A 40 40 ARG CB C 40 30.064 29.892 0.172 1
1 235 . 7 1 1 A 40 40 ARG N N 40 116.166 117.038 -0.872 1
1 236 . 7 1 1 A 41 41 GLY H H 41 7.962 9.196 -1.234 1
1 237 . 7 1 1 A 41 41 GLY HA2 H 41 3.965 3.631 0.334 1
1 238 . 7 1 1 A 41 41 GLY C C 41 178.678 175.921 2.757 1
1 239 . 7 1 1 A 41 41 GLY CA C 41 46.734 47.234 -0.500 1
1 240 . 7 1 1 A 41 41 GLY N N 41 106.758 108.117 -1.359 1
1 241 . 7 1 1 A 42 42 TRP H H 42 7.941 7.710 0.231 1
1 242 . 7 1 1 A 42 42 TRP HA H 42 4.027 4.602 -0.575 1
1 243 . 7 1 1 A 42 42 TRP C C 42 176.967 178.838 -1.871 1
1 244 . 7 1 1 A 42 42 TRP CA C 42 59.749 59.864 -0.115 1
1 245 . 7 1 1 A 42 42 TRP CB C 42 29.555 29.278 0.277 1
1 246 . 7 1 1 A 42 42 TRP N N 42 121.942 122.431 -0.489 1
1 247 . 7 1 1 A 43 43 VAL H H 43 8.025 7.891 0.134 1
1 248 . 7 1 1 A 43 43 VAL HA H 43 3.848 3.871 -0.023 1
1 249 . 7 1 1 A 43 43 VAL C C 43 178.333 177.980 0.353 1
1 250 . 7 1 1 A 43 43 VAL CA C 43 65.233 65.733 -0.500 1
1 251 . 7 1 1 A 43 43 VAL CB C 43 32.013 31.326 0.687 1
1 252 . 7 1 1 A 43 43 VAL N N 43 116.325 118.869 -2.544 1
1 253 . 7 1 1 A 44 44 THR H H 44 7.969 8.486 -0.517 1
1 254 . 7 1 1 A 44 44 THR HA H 44 4.239 4.091 0.148 1
1 255 . 7 1 1 A 44 44 THR C C 44 177.224 176.361 0.863 1
1 256 . 7 1 1 A 44 44 THR CA C 44 65.189 66.110 -0.921 1
1 257 . 7 1 1 A 44 44 THR CB C 44 69.255 68.398 0.857 1
1 258 . 7 1 1 A 44 44 THR N N 44 113.656 113.454 0.202 1
1 259 . 7 1 1 A 45 45 ASP H H 45 8.195 7.249 0.946 1
1 260 . 7 1 1 A 45 45 ASP HA H 45 4.759 4.735 0.024 1
1 261 . 7 1 1 A 45 45 ASP C C 45 176.240 176.221 0.019 1
1 262 . 7 1 1 A 45 45 ASP CA C 45 55.102 53.930 1.172 1
1 263 . 7 1 1 A 45 45 ASP CB C 45 39.325 40.964 -1.639 1
1 264 . 7 1 1 A 45 45 ASP N N 45 120.741 120.739 0.002 1
1 265 . 7 1 1 A 46 46 GLY H H 46 8.193 7.986 0.207 1
1 266 . 7 1 1 A 46 46 GLY HA2 H 46 3.809 3.997 -0.188 1
1 267 . 7 1 1 A 46 46 GLY C C 46 177.272 175.530 1.742 1
1 268 . 7 1 1 A 46 46 GLY CA C 46 46.513 47.036 -0.523 1
1 269 . 7 1 1 A 46 46 GLY N N 46 108.690 108.122 0.568 1
1 270 . 7 1 1 A 47 47 PHE H H 47 8.371 8.234 0.137 1
1 271 . 7 1 1 A 47 47 PHE HA H 47 4.448 4.330 0.118 1
1 272 . 7 1 1 A 47 47 PHE C C 47 174.681 177.549 -2.868 1
1 273 . 7 1 1 A 47 47 PHE CA C 47 60.145 60.380 -0.235 1
1 274 . 7 1 1 A 47 47 PHE CB C 47 38.825 37.831 0.994 1
1 275 . 7 1 1 A 47 47 PHE N N 47 119.504 120.406 -0.902 1
1 276 . 7 1 1 A 48 48 SER H H 48 8.160 7.820 0.340 1
1 277 . 7 1 1 A 48 48 SER HA H 48 4.195 3.382 0.813 1
1 278 . 7 1 1 A 48 48 SER C C 48 177.055 176.537 0.518 1
1 279 . 7 1 1 A 48 48 SER CA C 48 61.834 61.586 0.248 1
1 280 . 7 1 1 A 48 48 SER CB C 48 63.181 62.981 0.200 1
1 281 . 7 1 1 A 48 48 SER N N 48 113.986 116.967 -2.981 1
1 282 . 7 1 1 A 49 49 SER H H 49 8.050 8.496 -0.446 1
1 283 . 7 1 1 A 49 49 SER HA H 49 4.454 4.239 0.215 1
1 284 . 7 1 1 A 49 49 SER C C 49 176.526 176.745 -0.219 1
1 285 . 7 1 1 A 49 49 SER CA C 49 61.217 60.835 0.382 1
1 286 . 7 1 1 A 49 49 SER CB C 49 63.302 63.060 0.242 1
1 287 . 7 1 1 A 49 49 SER N N 49 116.779 115.969 0.810 1
1 288 . 7 1 1 A 50 50 LEU H H 50 8.003 8.382 -0.379 1
1 289 . 7 1 1 A 50 50 LEU HA H 50 4.293 4.220 0.073 1
1 290 . 7 1 1 A 50 50 LEU C C 50 175.754 178.945 -3.191 1
1 291 . 7 1 1 A 50 50 LEU CA C 50 58.134 57.186 0.948 1
1 292 . 7 1 1 A 50 50 LEU CB C 50 41.976 42.047 -0.071 1
1 293 . 7 1 1 A 50 50 LEU N N 50 122.176 122.357 -0.181 1
1 294 . 7 1 1 A 51 51 LYS H H 51 8.091 8.804 -0.713 1
1 295 . 7 1 1 A 51 51 LYS HA H 51 4.072 3.930 0.142 1
1 296 . 7 1 1 A 51 51 LYS C C 51 178.459 178.791 -0.332 1
1 297 . 7 1 1 A 51 51 LYS CA C 51 60.375 60.499 -0.124 1
1 298 . 7 1 1 A 51 51 LYS CB C 51 32.156 32.232 -0.076 1
1 299 . 7 1 1 A 51 51 LYS N N 51 117.526 119.862 -2.336 1
1 300 . 7 1 1 A 52 52 ASP H H 52 7.915 7.575 0.340 1
1 301 . 7 1 1 A 52 52 ASP HA H 52 4.594 4.518 0.076 1
1 302 . 7 1 1 A 52 52 ASP C C 52 178.854 178.039 0.815 1
1 303 . 7 1 1 A 52 52 ASP CA C 52 56.696 57.362 -0.666 1
1 304 . 7 1 1 A 52 52 ASP CB C 52 39.194 41.608 -2.414 1
1 305 . 7 1 1 A 52 52 ASP N N 52 119.070 119.976 -0.906 1
1 306 . 7 1 1 A 53 53 TYR H H 53 8.144 7.638 0.506 1
1 307 . 7 1 1 A 53 53 TYR HA H 53 4.630 4.362 0.268 1
1 308 . 7 1 1 A 53 53 TYR C C 53 178.269 177.465 0.804 1
1 309 . 7 1 1 A 53 53 TYR CA C 53 60.692 61.457 -0.765 1
1 310 . 7 1 1 A 53 53 TYR CB C 53 38.569 38.375 0.194 1
1 311 . 7 1 1 A 53 53 TYR N N 53 120.243 119.917 0.326 1
1 312 . 7 1 1 A 54 54 TRP H H 54 8.591 9.133 -0.542 1
1 313 . 7 1 1 A 54 54 TRP HA H 54 4.494 4.165 0.329 1
1 314 . 7 1 1 A 54 54 TRP C C 54 178.007 177.867 0.140 1
1 315 . 7 1 1 A 54 54 TRP CA C 54 59.747 61.025 -1.278 1
1 316 . 7 1 1 A 54 54 TRP CB C 54 30.447 29.575 0.872 1
1 317 . 7 1 1 A 54 54 TRP N N 54 120.624 121.756 -1.132 1
1 318 . 7 1 1 A 55 55 SER H H 55 8.223 9.792 -1.569 1
1 319 . 7 1 1 A 55 55 SER HA H 55 3.906 4.061 -0.155 1
1 320 . 7 1 1 A 55 55 SER C C 55 176.913 176.089 0.824 1
1 321 . 7 1 1 A 55 55 SER CA C 55 62.150 61.402 0.748 1
1 322 . 7 1 1 A 55 55 SER CB C 55 63.019 62.483 0.536 1
1 323 . 7 1 1 A 55 55 SER N N 55 112.199 113.902 -1.703 1
1 324 . 7 1 1 A 56 56 THR H H 56 7.689 7.696 -0.007 1
1 325 . 7 1 1 A 56 56 THR HA H 56 4.104 3.925 0.179 1
1 326 . 7 1 1 A 56 56 THR C C 56 176.440 176.181 0.259 1
1 327 . 7 1 1 A 56 56 THR CA C 56 66.346 64.885 1.461 1
1 328 . 7 1 1 A 56 56 THR CB C 56 68.858 68.763 0.095 1
1 329 . 7 1 1 A 56 56 THR N N 56 117.331 114.254 3.077 1
1 330 . 7 1 1 A 57 57 VAL H H 57 7.960 7.617 0.343 1
1 331 . 7 1 1 A 57 57 VAL HA H 57 3.623 3.371 0.252 1
1 332 . 7 1 1 A 57 57 VAL C C 57 176.128 177.722 -1.594 1
1 333 . 7 1 1 A 57 57 VAL CA C 57 66.489 66.514 -0.025 1
1 334 . 7 1 1 A 57 57 VAL CB C 57 31.829 31.213 0.616 1
1 335 . 7 1 1 A 57 57 VAL N N 57 121.777 121.789 -0.012 1
1 336 . 7 1 1 A 58 58 LYS H H 58 8.100 7.596 0.504 1
1 337 . 7 1 1 A 58 58 LYS HA H 58 3.554 3.683 -0.129 1
1 338 . 7 1 1 A 58 58 LYS C C 58 177.265 178.236 -0.971 1
1 339 . 7 1 1 A 58 58 LYS CA C 58 60.174 59.602 0.572 1
1 340 . 7 1 1 A 58 58 LYS CB C 58 31.373 31.559 -0.186 1
1 341 . 7 1 1 A 58 58 LYS N N 58 119.262 119.930 -0.668 1
1 342 . 7 1 1 A 59 59 ASP H H 59 7.826 7.980 -0.154 1
1 343 . 7 1 1 A 59 59 ASP HA H 59 4.473 4.310 0.163 1
1 344 . 7 1 1 A 59 59 ASP C C 59 178.762 178.672 0.090 1
1 345 . 7 1 1 A 59 59 ASP CA C 59 56.562 57.224 -0.662 1
1 346 . 7 1 1 A 59 59 ASP CB C 59 39.446 40.224 -0.778 1
1 347 . 7 1 1 A 59 59 ASP N N 59 117.771 118.464 -0.693 1
1 348 . 7 1 1 A 60 60 LYS H H 60 8.052 9.268 -1.216 1
1 349 . 7 1 1 A 60 60 LYS HA H 60 4.141 4.082 0.059 1
1 350 . 7 1 1 A 60 60 LYS C C 60 178.220 179.221 -1.001 1
1 351 . 7 1 1 A 60 60 LYS CA C 60 58.383 58.613 -0.230 1
1 352 . 7 1 1 A 60 60 LYS CB C 60 32.095 32.263 -0.168 1
1 353 . 7 1 1 A 60 60 LYS N N 60 119.850 120.715 -0.865 1
1 354 . 7 1 1 A 61 61 PHE H H 61 8.301 8.332 -0.031 1
1 355 . 7 1 1 A 61 61 PHE HA H 61 4.337 4.135 0.202 1
1 356 . 7 1 1 A 61 61 PHE C C 61 178.462 177.852 0.610 1
1 357 . 7 1 1 A 61 61 PHE CA C 61 60.780 61.132 -0.352 1
1 358 . 7 1 1 A 61 61 PHE CB C 61 39.194 39.347 -0.153 1
1 359 . 7 1 1 A 61 61 PHE N N 61 118.056 120.945 -2.889 1
1 360 . 7 1 1 A 62 62 SER H H 62 8.160 8.261 -0.101 1
1 361 . 7 1 1 A 62 62 SER HA H 62 4.229 4.254 -0.025 1
1 362 . 7 1 1 A 62 62 SER C C 62 177.060 176.514 0.546 1
1 363 . 7 1 1 A 62 62 SER CA C 62 61.546 61.593 -0.047 1
1 364 . 7 1 1 A 62 62 SER CB C 62 63.368 63.135 0.233 1
1 365 . 7 1 1 A 62 62 SER N N 62 113.635 115.385 -1.750 1
1 366 . 7 1 1 A 63 63 GLU H H 63 7.847 7.903 -0.056 1
1 367 . 7 1 1 A 63 63 GLU HA H 63 4.200 4.230 -0.030 1
1 368 . 7 1 1 A 63 63 GLU C C 63 175.917 179.203 -3.286 1
1 369 . 7 1 1 A 63 63 GLU CA C 63 57.833 58.656 -0.823 1
1 370 . 7 1 1 A 63 63 GLU CB C 63 28.314 29.270 -0.956 1
1 371 . 7 1 1 A 63 63 GLU N N 63 119.485 121.581 -2.096 1
1 372 . 7 1 1 A 64 64 PHE H H 64 7.792 8.465 -0.673 1
1 373 . 7 1 1 A 64 64 PHE HA H 64 4.448 4.105 0.343 1
1 374 . 7 1 1 A 64 64 PHE C C 64 177.370 177.698 -0.328 1
1 375 . 7 1 1 A 64 64 PHE CA C 64 59.714 60.633 -0.919 1
1 376 . 7 1 1 A 64 64 PHE CB C 64 39.825 39.321 0.504 1
1 377 . 7 1 1 A 64 64 PHE N N 64 118.506 121.375 -2.869 1
1 378 . 7 1 1 A 65 65 TRP H H 65 7.776 7.851 -0.075 1
1 379 . 7 1 1 A 65 65 TRP HA H 65 4.524 4.101 0.423 1
1 380 . 7 1 1 A 65 65 TRP C C 65 175.868 176.111 -0.243 1
1 381 . 7 1 1 A 65 65 TRP CA C 65 57.472 60.324 -2.852 1
1 382 . 7 1 1 A 65 65 TRP CB C 65 30.031 29.898 0.133 1
1 383 . 7 1 1 A 65 65 TRP N N 65 118.247 120.761 -2.514 1
1 384 . 7 1 1 A 66 66 ASP H H 66 7.832 7.590 0.242 1
1 385 . 7 1 1 A 66 66 ASP HA H 66 4.708 4.478 0.230 1
1 386 . 7 1 1 A 66 66 ASP C C 66 175.345 175.120 0.225 1
1 387 . 7 1 1 A 66 66 ASP CA C 66 53.378 53.771 -0.393 1
1 388 . 7 1 1 A 66 66 ASP CB C 66 38.672 40.891 -2.219 1
1 389 . 7 1 1 A 66 66 ASP N N 66 119.198 118.046 1.152 1
1 390 . 7 1 1 A 67 67 LEU H H 67 7.877 8.437 -0.560 1
1 391 . 7 1 1 A 67 67 LEU HA H 67 4.346 4.515 -0.169 1
1 392 . 7 1 1 A 67 67 LEU C C 67 175.060 176.383 -1.323 1
1 393 . 7 1 1 A 67 67 LEU CA C 67 55.458 53.837 1.621 1
1 394 . 7 1 1 A 67 67 LEU CB C 67 42.444 42.535 -0.091 1
1 395 . 7 1 1 A 67 67 LEU N N 67 121.856 125.518 -3.662 1
1 396 . 7 1 1 A 68 68 ASP H H 68 7.939 8.262 -0.323 1
1 397 . 7 1 1 A 68 68 ASP HA H 68 4.571 4.685 -0.114 1
1 398 . 7 1 1 A 68 68 ASP C C 68 176.528 176.196 0.332 1
1 399 . 7 1 1 A 68 68 ASP CA C 68 54.086 52.724 1.362 1
1 400 . 7 1 1 A 68 68 ASP CB C 68 40.423 40.288 0.135 1
1 401 . 7 1 1 A 68 68 ASP N N 68 122.966 120.381 2.585 1
1 402 . 7 1 1 A 69 69 PRO CA C 69 62.556 64.325 -1.769 1
1 403 . 7 1 1 A 69 69 PRO CB C 69 32.514 31.976 0.538 1
1 404 . 7 1 1 A 70 70 GLU H H 70 8.627 8.116 0.511 1
1 405 . 7 1 1 A 70 70 GLU HA H 70 4.532 4.700 -0.168 1
1 406 . 7 1 1 A 70 70 GLU C C 70 172.210 174.233 -2.023 1
1 407 . 7 1 1 A 70 70 GLU CA C 70 56.488 55.191 1.297 1
1 408 . 7 1 1 A 70 70 GLU CB C 70 29.544 31.350 -1.806 1
1 409 . 7 1 1 A 70 70 GLU N N 70 120.105 118.920 1.185 1
1 410 . 7 1 1 A 71 71 VAL H H 71 7.826 8.765 -0.939 1
1 411 . 7 1 1 A 71 71 VAL HA H 71 4.210 4.503 -0.293 1
1 412 . 7 1 1 A 71 71 VAL C C 71 175.329 174.538 0.791 1
1 413 . 7 1 1 A 71 71 VAL CA C 71 61.895 61.061 0.834 1
1 414 . 7 1 1 A 71 71 VAL CB C 71 33.096 32.314 0.782 1
1 415 . 7 1 1 A 71 71 VAL N N 71 119.356 126.244 -6.888 1
1 416 . 7 1 1 A 72 72 ARG H H 72 8.103 8.204 -0.101 1
1 417 . 7 1 1 A 72 72 ARG HA H 72 4.757 4.779 -0.022 1
1 418 . 7 1 1 A 72 72 ARG C C 72 174.732 175.663 -0.931 1
1 419 . 7 1 1 A 72 72 ARG CA C 72 53.719 52.823 0.896 1
1 420 . 7 1 1 A 72 72 ARG CB C 72 30.795 31.406 -0.611 1
1 421 . 7 1 1 A 72 72 ARG N N 72 122.861 127.801 -4.940 1
1 422 . 7 1 1 A 73 73 PRO CA C 73 64.693 64.377 0.316 1
1 423 . 7 1 1 A 73 73 PRO CB C 73 31.605 31.866 -0.261 1
1 424 . 7 1 1 A 74 74 THR H H 74 7.959 7.968 -0.009 1
1 425 . 7 1 1 A 74 74 THR HA H 74 4.131 4.084 0.047 1
1 426 . 7 1 1 A 74 74 THR C C 74 176.913 176.645 0.268 1
1 427 . 7 1 1 A 74 74 THR CA C 74 64.309 65.153 -0.844 1
1 428 . 7 1 1 A 74 74 THR CB C 74 69.160 68.918 0.242 1
1 429 . 7 1 1 A 74 74 THR N N 74 110.152 111.567 -1.415 1
1 430 . 7 1 1 A 75 75 SER H H 75 7.997 8.211 -0.214 1
1 431 . 7 1 1 A 75 75 SER HA H 75 4.483 4.037 0.446 1
1 432 . 7 1 1 A 75 75 SER C C 75 176.093 176.156 -0.063 1
1 433 . 7 1 1 A 75 75 SER CA C 75 60.300 62.244 -1.944 1
1 434 . 7 1 1 A 75 75 SER CB C 75 63.327 62.633 0.694 1
1 435 . 7 1 1 A 75 75 SER N N 75 117.147 117.919 -0.772 1
1 436 . 7 1 1 A 76 76 ALA H H 76 8.109 7.561 0.548 1
1 437 . 7 1 1 A 76 76 ALA HA H 76 4.219 4.248 -0.029 1
1 438 . 7 1 1 A 76 76 ALA C C 76 175.737 180.110 -4.373 1
1 439 . 7 1 1 A 76 76 ALA CA C 76 54.932 55.323 -0.391 1
1 440 . 7 1 1 A 76 76 ALA CB C 76 18.773 18.667 0.106 1
1 441 . 7 1 1 A 76 76 ALA N N 76 124.803 123.396 1.407 1
1 442 . 7 1 1 A 77 77 VAL H H 77 7.798 8.120 -0.322 1
1 443 . 7 1 1 A 77 77 VAL HA H 77 3.682 3.487 0.195 1
1 444 . 7 1 1 A 77 77 VAL C C 77 178.536 178.226 0.310 1
1 445 . 7 1 1 A 77 77 VAL CA C 77 66.335 66.481 -0.146 1
1 446 . 7 1 1 A 77 77 VAL CB C 77 31.744 31.671 0.073 1
1 447 . 7 1 1 A 77 77 VAL N N 77 115.730 117.825 -2.095 1
1 448 . 7 1 1 A 78 78 ALA H H 78 7.832 8.259 -0.427 1
1 449 . 7 1 1 A 78 78 ALA HA H 78 4.115 4.195 -0.080 1
1 450 . 7 1 1 A 78 78 ALA C C 78 177.362 177.566 -0.204 1
1 451 . 7 1 1 A 78 78 ALA CA C 78 54.902 53.583 1.319 1
1 452 . 7 1 1 A 78 78 ALA CB C 78 18.311 18.637 -0.326 1
1 453 . 7 1 1 A 78 78 ALA N N 78 121.924 120.964 0.960 1
1 3 . 8 1 1 A 2 2 GLU H H 2 8.776 8.575 0.201 1
1 4 . 8 1 1 A 2 2 GLU HA H 2 4.415 4.570 -0.155 1
1 5 . 8 1 1 A 2 2 GLU C C 2 171.203 174.620 -3.417 1
1 6 . 8 1 1 A 2 2 GLU CA C 2 56.971 55.697 1.274 1
1 7 . 8 1 1 A 2 2 GLU CB C 2 29.269 33.914 -4.645 1
1 8 . 8 1 1 A 2 2 GLU N N 2 121.323 123.930 -2.607 1
1 9 . 8 1 1 A 3 3 ALA H H 3 8.283 8.568 -0.285 1
1 10 . 8 1 1 A 3 3 ALA HA H 3 4.317 4.302 0.015 1
1 11 . 8 1 1 A 3 3 ALA C C 3 176.007 178.142 -2.135 1
1 12 . 8 1 1 A 3 3 ALA CA C 3 53.244 52.778 0.466 1
1 13 . 8 1 1 A 3 3 ALA CB C 3 19.153 19.177 -0.024 1
1 14 . 8 1 1 A 3 3 ALA N N 3 123.378 127.682 -4.304 1
1 15 . 8 1 1 A 4 4 GLU H H 4 8.109 8.833 -0.724 1
1 16 . 8 1 1 A 4 4 GLU HA H 4 4.366 4.184 0.182 1
1 17 . 8 1 1 A 4 4 GLU C C 4 177.975 178.133 -0.158 1
1 18 . 8 1 1 A 4 4 GLU CA C 4 56.850 59.103 -2.253 1
1 19 . 8 1 1 A 4 4 GLU CB C 4 29.078 29.329 -0.251 1
1 20 . 8 1 1 A 4 4 GLU N N 4 118.121 125.333 -7.212 1
1 21 . 8 1 1 A 5 5 ASP H H 5 8.201 8.142 0.059 1
1 22 . 8 1 1 A 5 5 ASP HA H 5 4.659 4.547 0.112 1
1 23 . 8 1 1 A 5 5 ASP C C 5 176.393 176.759 -0.366 1
1 24 . 8 1 1 A 5 5 ASP CA C 5 54.166 56.050 -1.884 1
1 25 . 8 1 1 A 5 5 ASP CB C 5 39.422 39.700 -0.278 1
1 26 . 8 1 1 A 5 5 ASP N N 5 119.089 117.193 1.896 1
1 27 . 8 1 1 A 6 6 ALA H H 6 8.045 7.361 0.684 1
1 28 . 8 1 1 A 6 6 ALA HA H 6 4.376 4.291 0.085 1
1 29 . 8 1 1 A 6 6 ALA C C 6 175.403 177.724 -2.321 1
1 30 . 8 1 1 A 6 6 ALA CA C 6 53.166 52.651 0.515 1
1 31 . 8 1 1 A 6 6 ALA CB C 6 19.232 19.321 -0.089 1
1 32 . 8 1 1 A 6 6 ALA N N 6 123.242 124.308 -1.066 1
1 33 . 8 1 1 A 7 7 SER H H 7 8.168 8.859 -0.691 1
1 34 . 8 1 1 A 7 7 SER HA H 7 4.543 4.921 -0.378 1
1 35 . 8 1 1 A 7 7 SER C C 7 177.957 175.365 2.592 1
1 36 . 8 1 1 A 7 7 SER CA C 7 59.090 57.503 1.587 1
1 37 . 8 1 1 A 7 7 SER CB C 7 64.084 65.398 -1.314 1
1 38 . 8 1 1 A 7 7 SER N N 7 115.046 113.941 1.105 1
1 39 . 8 1 1 A 8 8 LEU H H 8 8.410 8.735 -0.325 1
1 40 . 8 1 1 A 8 8 LEU HA H 8 4.297 4.115 0.182 1
1 41 . 8 1 1 A 8 8 LEU C C 8 175.818 178.809 -2.991 1
1 42 . 8 1 1 A 8 8 LEU CA C 8 58.225 57.246 0.979 1
1 43 . 8 1 1 A 8 8 LEU CB C 8 42.057 42.160 -0.103 1
1 44 . 8 1 1 A 8 8 LEU N N 8 124.101 122.539 1.562 1
1 45 . 8 1 1 A 9 9 LEU H H 9 8.007 7.756 0.251 1
1 46 . 8 1 1 A 9 9 LEU HA H 9 4.245 4.258 -0.013 1
1 47 . 8 1 1 A 9 9 LEU C C 9 178.573 179.019 -0.446 1
1 48 . 8 1 1 A 9 9 LEU CA C 9 57.976 55.792 2.184 1
1 49 . 8 1 1 A 9 9 LEU CB C 9 41.475 41.866 -0.391 1
1 50 . 8 1 1 A 9 9 LEU N N 9 117.546 119.251 -1.705 1
1 51 . 8 1 1 A 10 10 SER H H 10 7.979 8.588 -0.609 1
1 52 . 8 1 1 A 10 10 SER HA H 10 4.320 4.231 0.089 1
1 53 . 8 1 1 A 10 10 SER C C 10 178.812 176.393 2.419 1
1 54 . 8 1 1 A 10 10 SER CA C 10 61.538 61.224 0.314 1
1 55 . 8 1 1 A 10 10 SER CB C 10 62.776 62.555 0.221 1
1 56 . 8 1 1 A 10 10 SER N N 10 114.105 114.852 -0.747 1
1 57 . 8 1 1 A 11 11 PHE H H 11 8.046 8.451 -0.405 1
1 58 . 8 1 1 A 11 11 PHE HA H 11 4.439 4.022 0.417 1
1 59 . 8 1 1 A 11 11 PHE C C 11 177.370 176.987 0.383 1
1 60 . 8 1 1 A 11 11 PHE CA C 11 60.823 62.236 -1.413 1
1 61 . 8 1 1 A 11 11 PHE CB C 11 39.190 39.151 0.039 1
1 62 . 8 1 1 A 11 11 PHE N N 11 122.342 122.087 0.255 1
1 63 . 8 1 1 A 12 12 MET H H 12 8.260 8.304 -0.044 1
1 64 . 8 1 1 A 12 12 MET HA H 12 4.303 3.983 0.320 1
1 65 . 8 1 1 A 12 12 MET C C 12 177.760 177.940 -0.180 1
1 66 . 8 1 1 A 12 12 MET CA C 12 58.034 58.438 -0.404 1
1 67 . 8 1 1 A 12 12 MET CB C 12 32.703 32.654 0.049 1
1 68 . 8 1 1 A 12 12 MET N N 12 118.124 117.907 0.217 1
1 69 . 8 1 1 A 13 13 GLN H H 13 8.371 8.302 0.069 1
1 70 . 8 1 1 A 13 13 GLN HA H 13 4.082 3.932 0.150 1
1 71 . 8 1 1 A 13 13 GLN C C 13 177.866 179.393 -1.527 1
1 72 . 8 1 1 A 13 13 GLN CA C 13 59.149 58.905 0.244 1
1 73 . 8 1 1 A 13 13 GLN CB C 13 28.792 28.382 0.410 1
1 74 . 8 1 1 A 13 13 GLN N N 13 118.154 118.386 -0.232 1
1 75 . 8 1 1 A 14 14 GLY H H 14 8.029 8.192 -0.163 1
1 76 . 8 1 1 A 14 14 GLY HA2 H 14 3.916 3.628 0.288 1
1 77 . 8 1 1 A 14 14 GLY C C 14 178.079 175.169 2.910 1
1 78 . 8 1 1 A 14 14 GLY CA C 14 46.795 47.121 -0.326 1
1 79 . 8 1 1 A 14 14 GLY N N 14 106.304 108.784 -2.480 1
1 80 . 8 1 1 A 15 15 TYR H H 15 7.950 8.156 -0.206 1
1 81 . 8 1 1 A 15 15 TYR HA H 15 4.307 3.884 0.423 1
1 82 . 8 1 1 A 15 15 TYR C C 15 175.811 177.362 -1.551 1
1 83 . 8 1 1 A 15 15 TYR CA C 15 61.112 61.354 -0.242 1
1 84 . 8 1 1 A 15 15 TYR CB C 15 39.251 38.445 0.806 1
1 85 . 8 1 1 A 15 15 TYR N N 15 121.528 123.417 -1.889 1
1 86 . 8 1 1 A 16 16 MET H H 16 8.199 8.122 0.077 1
1 87 . 8 1 1 A 16 16 MET HA H 16 4.307 4.062 0.245 1
1 88 . 8 1 1 A 16 16 MET C C 16 177.685 178.434 -0.749 1
1 89 . 8 1 1 A 16 16 MET CA C 16 57.476 58.128 -0.652 1
1 90 . 8 1 1 A 16 16 MET CB C 16 32.342 31.686 0.656 1
1 91 . 8 1 1 A 16 16 MET N N 16 117.173 116.560 0.613 1
1 92 . 8 1 1 A 17 17 LYS H H 17 7.924 7.576 0.348 1
1 93 . 8 1 1 A 17 17 LYS HA H 17 4.190 4.034 0.156 1
1 94 . 8 1 1 A 17 17 LYS C C 17 177.849 178.550 -0.701 1
1 95 . 8 1 1 A 17 17 LYS CA C 17 58.393 59.071 -0.678 1
1 96 . 8 1 1 A 17 17 LYS CB C 17 32.311 32.212 0.099 1
1 97 . 8 1 1 A 17 17 LYS N N 17 118.640 119.422 -0.782 1
1 98 . 8 1 1 A 18 18 HIS H H 18 7.889 8.569 -0.680 1
1 99 . 8 1 1 A 18 18 HIS HA H 18 4.542 4.144 0.398 1
1 100 . 8 1 1 A 18 18 HIS C C 18 177.796 177.093 0.703 1
1 101 . 8 1 1 A 18 18 HIS CA C 18 56.698 59.099 -2.401 1
1 102 . 8 1 1 A 18 18 HIS CB C 18 28.505 29.917 -1.412 1
1 103 . 8 1 1 A 18 18 HIS N N 18 116.031 120.111 -4.080 1
1 104 . 8 1 1 A 19 19 ALA H H 19 8.144 8.926 -0.782 1
1 105 . 8 1 1 A 19 19 ALA HA H 19 4.282 3.745 0.537 1
1 106 . 8 1 1 A 19 19 ALA C C 19 178.213 180.122 -1.909 1
1 107 . 8 1 1 A 19 19 ALA CA C 19 54.166 54.592 -0.426 1
1 108 . 8 1 1 A 19 19 ALA CB C 19 19.133 17.894 1.239 1
1 109 . 8 1 1 A 19 19 ALA N N 19 123.402 120.564 2.838 1
1 110 . 8 1 1 A 20 20 THR H H 20 8.186 7.319 0.867 1
1 111 . 8 1 1 A 20 20 THR HA H 20 4.128 3.968 0.160 1
1 112 . 8 1 1 A 20 20 THR C C 20 178.380 176.071 2.309 1
1 113 . 8 1 1 A 20 20 THR CA C 20 64.460 64.383 0.077 1
1 114 . 8 1 1 A 20 20 THR CB C 20 69.213 68.580 0.633 1
1 115 . 8 1 1 A 20 20 THR N N 20 111.155 113.537 -2.382 1
1 116 . 8 1 1 A 21 21 LYS H H 21 7.715 8.583 -0.868 1
1 117 . 8 1 1 A 21 21 LYS HA H 21 4.349 3.896 0.453 1
1 118 . 8 1 1 A 21 21 LYS C C 21 175.517 179.315 -3.798 1
1 119 . 8 1 1 A 21 21 LYS CA C 21 58.000 58.913 -0.913 1
1 120 . 8 1 1 A 21 21 LYS CB C 21 32.848 31.677 1.171 1
1 121 . 8 1 1 A 21 21 LYS N N 21 121.662 120.881 0.781 1
1 122 . 8 1 1 A 22 22 THR H H 22 8.000 7.986 0.014 1
1 123 . 8 1 1 A 22 22 THR HA H 22 4.297 4.149 0.148 1
1 124 . 8 1 1 A 22 22 THR C C 22 177.240 176.639 0.601 1
1 125 . 8 1 1 A 22 22 THR CA C 22 64.040 64.532 -0.492 1
1 126 . 8 1 1 A 22 22 THR CB C 22 69.733 68.513 1.220 1
1 127 . 8 1 1 A 22 22 THR N N 22 113.812 113.788 0.024 1
1 128 . 8 1 1 A 23 23 ALA H H 23 8.412 7.665 0.747 1
1 129 . 8 1 1 A 23 23 ALA HA H 23 4.122 3.983 0.139 1
1 130 . 8 1 1 A 23 23 ALA C C 23 175.964 179.101 -3.137 1
1 131 . 8 1 1 A 23 23 ALA CA C 23 55.316 55.475 -0.159 1
1 132 . 8 1 1 A 23 23 ALA CB C 23 18.618 18.380 0.238 1
1 133 . 8 1 1 A 23 23 ALA N N 23 123.778 125.795 -2.017 1
1 134 . 8 1 1 A 24 24 LYS H H 24 8.205 7.850 0.355 1
1 135 . 8 1 1 A 24 24 LYS HA H 24 3.975 3.926 0.049 1
1 136 . 8 1 1 A 24 24 LYS C C 24 178.579 178.320 0.259 1
1 137 . 8 1 1 A 24 24 LYS CA C 24 59.821 59.716 0.105 1
1 138 . 8 1 1 A 24 24 LYS CB C 24 32.287 32.351 -0.064 1
1 139 . 8 1 1 A 24 24 LYS N N 24 116.572 118.384 -1.812 1
1 140 . 8 1 1 A 25 25 ASP H H 25 8.162 8.389 -0.227 1
1 141 . 8 1 1 A 25 25 ASP HA H 25 4.633 4.305 0.328 1
1 142 . 8 1 1 A 25 25 ASP C C 25 178.849 178.951 -0.102 1
1 143 . 8 1 1 A 25 25 ASP CA C 25 56.667 57.403 -0.736 1
1 144 . 8 1 1 A 25 25 ASP CB C 25 39.431 40.181 -0.750 1
1 145 . 8 1 1 A 25 25 ASP N N 25 119.217 118.462 0.755 1
1 146 . 8 1 1 A 26 26 ALA H H 26 8.144 8.261 -0.117 1
1 147 . 8 1 1 A 26 26 ALA HA H 26 4.297 4.123 0.174 1
1 148 . 8 1 1 A 26 26 ALA C C 26 175.378 180.200 -4.822 1
1 149 . 8 1 1 A 26 26 ALA CA C 26 54.877 54.899 -0.022 1
1 150 . 8 1 1 A 26 26 ALA CB C 26 18.648 18.039 0.609 1
1 151 . 8 1 1 A 26 26 ALA N N 26 123.402 122.694 0.708 1
1 152 . 8 1 1 A 27 27 LEU H H 27 8.203 9.443 -1.240 1
1 153 . 8 1 1 A 27 27 LEU HA H 27 4.149 4.075 0.074 1
1 154 . 8 1 1 A 27 27 LEU C C 27 179.408 178.422 0.986 1
1 155 . 8 1 1 A 27 27 LEU CA C 27 57.457 57.275 0.182 1
1 156 . 8 1 1 A 27 27 LEU CB C 27 41.794 41.460 0.334 1
1 157 . 8 1 1 A 27 27 LEU N N 27 117.567 120.518 -2.951 1
1 158 . 8 1 1 A 28 28 SER H H 28 8.010 8.570 -0.560 1
1 159 . 8 1 1 A 28 28 SER HA H 28 4.348 4.253 0.095 1
1 160 . 8 1 1 A 28 28 SER C C 28 178.515 176.681 1.834 1
1 161 . 8 1 1 A 28 28 SER CA C 28 61.275 61.660 -0.385 1
1 162 . 8 1 1 A 28 28 SER CB C 28 63.339 62.779 0.560 1
1 163 . 8 1 1 A 28 28 SER N N 28 113.313 114.500 -1.187 1
1 164 . 8 1 1 A 29 29 SER H H 29 7.899 7.493 0.406 1
1 165 . 8 1 1 A 29 29 SER HA H 29 4.483 4.394 0.089 1
1 166 . 8 1 1 A 29 29 SER C C 29 176.227 175.820 0.407 1
1 167 . 8 1 1 A 29 29 SER CA C 29 60.684 59.636 1.048 1
1 168 . 8 1 1 A 29 29 SER CB C 29 63.720 62.675 1.045 1
1 169 . 8 1 1 A 29 29 SER N N 29 116.193 116.665 -0.472 1
1 170 . 8 1 1 A 30 30 VAL H H 30 7.832 8.075 -0.243 1
1 171 . 8 1 1 A 30 30 VAL HA H 30 4.131 3.847 0.284 1
1 172 . 8 1 1 A 30 30 VAL C C 30 175.982 177.015 -1.033 1
1 173 . 8 1 1 A 30 30 VAL CA C 30 64.518 64.391 0.127 1
1 174 . 8 1 1 A 30 30 VAL CB C 30 32.102 31.517 0.585 1
1 175 . 8 1 1 A 30 30 VAL N N 30 120.035 119.602 0.433 1
1 176 . 8 1 1 A 31 31 GLN H H 31 8.252 8.077 0.175 1
1 177 . 8 1 1 A 31 31 GLN HA H 31 4.222 4.044 0.178 1
1 178 . 8 1 1 A 31 31 GLN C C 31 177.403 177.850 -0.447 1
1 179 . 8 1 1 A 31 31 GLN CA C 31 57.904 58.740 -0.836 1
1 180 . 8 1 1 A 31 31 GLN CB C 31 29.119 28.263 0.856 1
1 181 . 8 1 1 A 31 31 GLN N N 31 120.710 120.503 0.207 1
1 182 . 8 1 1 A 32 32 GLU H H 32 8.049 8.089 -0.040 1
1 183 . 8 1 1 A 32 32 GLU HA H 32 4.320 4.154 0.166 1
1 184 . 8 1 1 A 32 32 GLU C C 32 176.734 178.543 -1.809 1
1 185 . 8 1 1 A 32 32 GLU CA C 32 57.116 58.289 -1.173 1
1 186 . 8 1 1 A 32 32 GLU CB C 32 28.505 29.730 -1.225 1
1 187 . 8 1 1 A 32 32 GLU N N 32 117.872 120.759 -2.887 1
1 188 . 8 1 1 A 33 33 SER H H 33 7.973 9.284 -1.311 1
1 189 . 8 1 1 A 33 33 SER HA H 33 4.454 4.155 0.299 1
1 190 . 8 1 1 A 33 33 SER C C 33 176.505 176.509 -0.004 1
1 191 . 8 1 1 A 33 33 SER CA C 33 59.379 60.894 -1.515 1
1 192 . 8 1 1 A 33 33 SER CB C 33 64.359 63.116 1.243 1
1 193 . 8 1 1 A 33 33 SER N N 33 115.021 115.180 -0.159 1
1 194 . 8 1 1 A 34 34 GLN H H 34 8.379 7.674 0.705 1
1 195 . 8 1 1 A 34 34 GLN HA H 34 4.249 4.178 0.071 1
1 196 . 8 1 1 A 34 34 GLN C C 34 175.446 178.444 -2.998 1
1 197 . 8 1 1 A 34 34 GLN CA C 34 58.287 58.072 0.215 1
1 198 . 8 1 1 A 34 34 GLN CB C 34 28.507 28.892 -0.385 1
1 199 . 8 1 1 A 34 34 GLN N N 34 121.821 120.972 0.849 1
1 200 . 8 1 1 A 35 35 VAL H H 35 7.885 7.974 -0.089 1
1 201 . 8 1 1 A 35 35 VAL HA H 35 3.890 3.792 0.098 1
1 202 . 8 1 1 A 35 35 VAL C C 35 178.220 177.034 1.186 1
1 203 . 8 1 1 A 35 35 VAL CA C 35 65.572 64.821 0.751 1
1 204 . 8 1 1 A 35 35 VAL CB C 35 31.809 31.574 0.235 1
1 205 . 8 1 1 A 35 35 VAL N N 35 118.193 118.352 -0.159 1
1 206 . 8 1 1 A 36 36 ALA H H 36 7.941 8.136 -0.195 1
1 207 . 8 1 1 A 36 36 ALA HA H 36 4.017 4.016 0.001 1
1 208 . 8 1 1 A 36 36 ALA C C 36 175.366 179.347 -3.981 1
1 209 . 8 1 1 A 36 36 ALA CA C 36 55.299 55.509 -0.210 1
1 210 . 8 1 1 A 36 36 ALA CB C 36 18.710 18.613 0.097 1
1 211 . 8 1 1 A 36 36 ALA N N 36 121.942 124.057 -2.115 1
1 212 . 8 1 1 A 37 37 GLN H H 37 7.771 8.042 -0.271 1
1 213 . 8 1 1 A 37 37 GLN HA H 37 4.072 3.958 0.114 1
1 214 . 8 1 1 A 37 37 GLN C C 37 179.036 178.056 0.980 1
1 215 . 8 1 1 A 37 37 GLN CA C 37 58.656 59.317 -0.661 1
1 216 . 8 1 1 A 37 37 GLN CB C 37 28.583 28.370 0.213 1
1 217 . 8 1 1 A 37 37 GLN N N 37 115.154 117.888 -2.734 1
1 218 . 8 1 1 A 38 38 GLN H H 38 8.057 8.012 0.045 1
1 219 . 8 1 1 A 38 38 GLN HA H 38 4.161 3.976 0.185 1
1 220 . 8 1 1 A 38 38 GLN C C 38 178.965 177.539 1.426 1
1 221 . 8 1 1 A 38 38 GLN CA C 38 57.879 58.792 -0.913 1
1 222 . 8 1 1 A 38 38 GLN CB C 38 28.936 28.879 0.057 1
1 223 . 8 1 1 A 38 38 GLN N N 38 119.273 118.896 0.377 1
1 224 . 8 1 1 A 39 39 ALA H H 39 8.226 8.860 -0.634 1
1 225 . 8 1 1 A 39 39 ALA HA H 39 3.878 4.157 -0.279 1
1 226 . 8 1 1 A 39 39 ALA C C 39 178.002 179.716 -1.714 1
1 227 . 8 1 1 A 39 39 ALA CA C 39 54.780 55.171 -0.391 1
1 228 . 8 1 1 A 39 39 ALA CB C 39 18.626 18.601 0.025 1
1 229 . 8 1 1 A 39 39 ALA N N 39 121.849 121.243 0.606 1
1 230 . 8 1 1 A 40 40 ARG H H 40 8.078 8.627 -0.549 1
1 231 . 8 1 1 A 40 40 ARG HA H 40 4.519 4.068 0.451 1
1 232 . 8 1 1 A 40 40 ARG C C 40 178.581 178.838 -0.257 1
1 233 . 8 1 1 A 40 40 ARG CA C 40 59.438 59.536 -0.098 1
1 234 . 8 1 1 A 40 40 ARG CB C 40 30.064 30.383 -0.319 1
1 235 . 8 1 1 A 40 40 ARG N N 40 116.166 118.885 -2.719 1
1 236 . 8 1 1 A 41 41 GLY H H 41 7.962 9.375 -1.413 1
1 237 . 8 1 1 A 41 41 GLY HA2 H 41 3.965 3.531 0.434 1
1 238 . 8 1 1 A 41 41 GLY C C 41 178.678 175.799 2.879 1
1 239 . 8 1 1 A 41 41 GLY CA C 41 46.734 47.246 -0.512 1
1 240 . 8 1 1 A 41 41 GLY N N 41 106.758 106.334 0.424 1
1 241 . 8 1 1 A 42 42 TRP H H 42 7.941 7.601 0.340 1
1 242 . 8 1 1 A 42 42 TRP HA H 42 4.027 4.837 -0.810 1
1 243 . 8 1 1 A 42 42 TRP C C 42 176.967 178.901 -1.934 1
1 244 . 8 1 1 A 42 42 TRP CA C 42 59.749 59.884 -0.135 1
1 245 . 8 1 1 A 42 42 TRP CB C 42 29.555 29.191 0.364 1
1 246 . 8 1 1 A 42 42 TRP N N 42 121.942 122.424 -0.482 1
1 247 . 8 1 1 A 43 43 VAL H H 43 8.025 8.144 -0.119 1
1 248 . 8 1 1 A 43 43 VAL HA H 43 3.848 3.693 0.155 1
1 249 . 8 1 1 A 43 43 VAL C C 43 178.333 178.263 0.070 1
1 250 . 8 1 1 A 43 43 VAL CA C 43 65.233 66.642 -1.409 1
1 251 . 8 1 1 A 43 43 VAL CB C 43 32.013 31.611 0.402 1
1 252 . 8 1 1 A 43 43 VAL N N 43 116.325 120.434 -4.109 1
1 253 . 8 1 1 A 44 44 THR H H 44 7.969 8.539 -0.570 1
1 254 . 8 1 1 A 44 44 THR HA H 44 4.239 4.151 0.088 1
1 255 . 8 1 1 A 44 44 THR C C 44 177.224 175.167 2.057 1
1 256 . 8 1 1 A 44 44 THR CA C 44 65.189 65.944 -0.755 1
1 257 . 8 1 1 A 44 44 THR CB C 44 69.255 68.333 0.922 1
1 258 . 8 1 1 A 44 44 THR N N 44 113.656 112.531 1.125 1
1 259 . 8 1 1 A 45 45 ASP H H 45 8.195 8.050 0.145 1
1 260 . 8 1 1 A 45 45 ASP HA H 45 4.759 4.587 0.172 1
1 261 . 8 1 1 A 45 45 ASP C C 45 176.240 177.162 -0.922 1
1 262 . 8 1 1 A 45 45 ASP CA C 45 55.102 53.421 1.681 1
1 263 . 8 1 1 A 45 45 ASP CB C 45 39.325 39.889 -0.564 1
1 264 . 8 1 1 A 45 45 ASP N N 45 120.741 117.276 3.465 1
1 265 . 8 1 1 A 46 46 GLY H H 46 8.193 8.554 -0.361 1
1 266 . 8 1 1 A 46 46 GLY HA2 H 46 3.809 4.036 -0.227 1
1 267 . 8 1 1 A 46 46 GLY C C 46 177.272 175.196 2.076 1
1 268 . 8 1 1 A 46 46 GLY CA C 46 46.513 46.642 -0.129 1
1 269 . 8 1 1 A 46 46 GLY N N 46 108.690 109.311 -0.621 1
1 270 . 8 1 1 A 47 47 PHE H H 47 8.371 8.284 0.087 1
1 271 . 8 1 1 A 47 47 PHE HA H 47 4.448 4.385 0.063 1
1 272 . 8 1 1 A 47 47 PHE C C 47 174.681 177.758 -3.077 1
1 273 . 8 1 1 A 47 47 PHE CA C 47 60.145 61.229 -1.084 1
1 274 . 8 1 1 A 47 47 PHE CB C 47 38.825 39.627 -0.802 1
1 275 . 8 1 1 A 47 47 PHE N N 47 119.504 120.487 -0.983 1
1 276 . 8 1 1 A 48 48 SER H H 48 8.160 8.203 -0.043 1
1 277 . 8 1 1 A 48 48 SER HA H 48 4.195 4.127 0.068 1
1 278 . 8 1 1 A 48 48 SER C C 48 177.055 176.475 0.580 1
1 279 . 8 1 1 A 48 48 SER CA C 48 61.834 62.009 -0.175 1
1 280 . 8 1 1 A 48 48 SER CB C 48 63.181 63.176 0.005 1
1 281 . 8 1 1 A 48 48 SER N N 48 113.986 115.626 -1.640 1
1 282 . 8 1 1 A 49 49 SER H H 49 8.050 8.508 -0.458 1
1 283 . 8 1 1 A 49 49 SER HA H 49 4.454 4.222 0.232 1
1 284 . 8 1 1 A 49 49 SER C C 49 176.526 176.715 -0.189 1
1 285 . 8 1 1 A 49 49 SER CA C 49 61.217 60.720 0.497 1
1 286 . 8 1 1 A 49 49 SER CB C 49 63.302 63.009 0.293 1
1 287 . 8 1 1 A 49 49 SER N N 49 116.779 116.216 0.563 1
1 288 . 8 1 1 A 50 50 LEU H H 50 8.003 7.937 0.066 1
1 289 . 8 1 1 A 50 50 LEU HA H 50 4.293 4.090 0.203 1
1 290 . 8 1 1 A 50 50 LEU C C 50 175.754 178.897 -3.143 1
1 291 . 8 1 1 A 50 50 LEU CA C 50 58.134 57.006 1.128 1
1 292 . 8 1 1 A 50 50 LEU CB C 50 41.976 41.547 0.429 1
1 293 . 8 1 1 A 50 50 LEU N N 50 122.176 122.193 -0.017 1
1 294 . 8 1 1 A 51 51 LYS H H 51 8.091 9.053 -0.962 1
1 295 . 8 1 1 A 51 51 LYS HA H 51 4.072 4.088 -0.016 1
1 296 . 8 1 1 A 51 51 LYS C C 51 178.459 179.321 -0.862 1
1 297 . 8 1 1 A 51 51 LYS CA C 51 60.375 60.529 -0.154 1
1 298 . 8 1 1 A 51 51 LYS CB C 51 32.156 32.190 -0.034 1
1 299 . 8 1 1 A 51 51 LYS N N 51 117.526 119.847 -2.321 1
1 300 . 8 1 1 A 52 52 ASP H H 52 7.915 8.289 -0.374 1
1 301 . 8 1 1 A 52 52 ASP HA H 52 4.594 4.239 0.355 1
1 302 . 8 1 1 A 52 52 ASP C C 52 178.854 178.437 0.417 1
1 303 . 8 1 1 A 52 52 ASP CA C 52 56.696 57.270 -0.574 1
1 304 . 8 1 1 A 52 52 ASP CB C 52 39.194 40.363 -1.169 1
1 305 . 8 1 1 A 52 52 ASP N N 52 119.070 119.765 -0.695 1
1 306 . 8 1 1 A 53 53 TYR H H 53 8.144 7.637 0.507 1
1 307 . 8 1 1 A 53 53 TYR HA H 53 4.630 4.239 0.391 1
1 308 . 8 1 1 A 53 53 TYR C C 53 178.269 178.673 -0.404 1
1 309 . 8 1 1 A 53 53 TYR CA C 53 60.692 60.387 0.305 1
1 310 . 8 1 1 A 53 53 TYR CB C 53 38.569 38.186 0.383 1
1 311 . 8 1 1 A 53 53 TYR N N 53 120.243 118.224 2.019 1
1 312 . 8 1 1 A 54 54 TRP H H 54 8.591 9.016 -0.425 1
1 313 . 8 1 1 A 54 54 TRP HA H 54 4.494 4.261 0.233 1
1 314 . 8 1 1 A 54 54 TRP C C 54 178.007 177.973 0.034 1
1 315 . 8 1 1 A 54 54 TRP CA C 54 59.747 61.387 -1.640 1
1 316 . 8 1 1 A 54 54 TRP CB C 54 30.447 30.019 0.428 1
1 317 . 8 1 1 A 54 54 TRP N N 54 120.624 122.880 -2.256 1
1 318 . 8 1 1 A 55 55 SER H H 55 8.223 9.448 -1.225 1
1 319 . 8 1 1 A 55 55 SER HA H 55 3.906 3.837 0.069 1
1 320 . 8 1 1 A 55 55 SER C C 55 176.913 176.652 0.261 1
1 321 . 8 1 1 A 55 55 SER CA C 55 62.150 61.276 0.874 1
1 322 . 8 1 1 A 55 55 SER CB C 55 63.019 62.320 0.699 1
1 323 . 8 1 1 A 55 55 SER N N 55 112.199 113.670 -1.471 1
1 324 . 8 1 1 A 56 56 THR H H 56 7.689 7.683 0.006 1
1 325 . 8 1 1 A 56 56 THR HA H 56 4.104 3.831 0.273 1
1 326 . 8 1 1 A 56 56 THR C C 56 176.440 176.146 0.294 1
1 327 . 8 1 1 A 56 56 THR CA C 56 66.346 66.504 -0.158 1
1 328 . 8 1 1 A 56 56 THR CB C 56 68.858 68.733 0.125 1
1 329 . 8 1 1 A 56 56 THR N N 56 117.331 116.690 0.641 1
1 330 . 8 1 1 A 57 57 VAL H H 57 7.960 8.531 -0.571 1
1 331 . 8 1 1 A 57 57 VAL HA H 57 3.623 3.634 -0.011 1
1 332 . 8 1 1 A 57 57 VAL C C 57 176.128 177.935 -1.807 1
1 333 . 8 1 1 A 57 57 VAL CA C 57 66.489 66.900 -0.411 1
1 334 . 8 1 1 A 57 57 VAL CB C 57 31.829 31.674 0.155 1
1 335 . 8 1 1 A 57 57 VAL N N 57 121.777 120.713 1.064 1
1 336 . 8 1 1 A 58 58 LYS H H 58 8.100 8.073 0.027 1
1 337 . 8 1 1 A 58 58 LYS HA H 58 3.554 3.897 -0.343 1
1 338 . 8 1 1 A 58 58 LYS C C 58 177.265 178.424 -1.159 1
1 339 . 8 1 1 A 58 58 LYS CA C 58 60.174 59.827 0.347 1
1 340 . 8 1 1 A 58 58 LYS CB C 58 31.373 32.044 -0.671 1
1 341 . 8 1 1 A 58 58 LYS N N 58 119.262 119.937 -0.675 1
1 342 . 8 1 1 A 59 59 ASP H H 59 7.826 8.110 -0.284 1
1 343 . 8 1 1 A 59 59 ASP HA H 59 4.473 4.392 0.081 1
1 344 . 8 1 1 A 59 59 ASP C C 59 178.762 178.762 0.000 1
1 345 . 8 1 1 A 59 59 ASP CA C 59 56.562 57.421 -0.859 1
1 346 . 8 1 1 A 59 59 ASP CB C 59 39.446 40.268 -0.822 1
1 347 . 8 1 1 A 59 59 ASP N N 59 117.771 118.784 -1.013 1
1 348 . 8 1 1 A 60 60 LYS H H 60 8.052 9.106 -1.054 1
1 349 . 8 1 1 A 60 60 LYS HA H 60 4.141 4.223 -0.082 1
1 350 . 8 1 1 A 60 60 LYS C C 60 178.220 179.065 -0.845 1
1 351 . 8 1 1 A 60 60 LYS CA C 60 58.383 58.376 0.007 1
1 352 . 8 1 1 A 60 60 LYS CB C 60 32.095 31.930 0.165 1
1 353 . 8 1 1 A 60 60 LYS N N 60 119.850 119.538 0.312 1
1 354 . 8 1 1 A 61 61 PHE H H 61 8.301 8.406 -0.105 1
1 355 . 8 1 1 A 61 61 PHE HA H 61 4.337 4.250 0.087 1
1 356 . 8 1 1 A 61 61 PHE C C 61 178.462 177.922 0.540 1
1 357 . 8 1 1 A 61 61 PHE CA C 61 60.780 61.214 -0.434 1
1 358 . 8 1 1 A 61 61 PHE CB C 61 39.194 39.428 -0.234 1
1 359 . 8 1 1 A 61 61 PHE N N 61 118.056 121.882 -3.826 1
1 360 . 8 1 1 A 62 62 SER H H 62 8.160 8.355 -0.195 1
1 361 . 8 1 1 A 62 62 SER HA H 62 4.229 4.285 -0.056 1
1 362 . 8 1 1 A 62 62 SER C C 62 177.060 176.243 0.817 1
1 363 . 8 1 1 A 62 62 SER CA C 62 61.546 61.665 -0.119 1
1 364 . 8 1 1 A 62 62 SER CB C 62 63.368 63.202 0.166 1
1 365 . 8 1 1 A 62 62 SER N N 62 113.635 115.469 -1.834 1
1 366 . 8 1 1 A 63 63 GLU H H 63 7.847 8.132 -0.285 1
1 367 . 8 1 1 A 63 63 GLU HA H 63 4.200 4.122 0.078 1
1 368 . 8 1 1 A 63 63 GLU C C 63 175.917 179.064 -3.147 1
1 369 . 8 1 1 A 63 63 GLU CA C 63 57.833 59.327 -1.494 1
1 370 . 8 1 1 A 63 63 GLU CB C 63 28.314 28.975 -0.661 1
1 371 . 8 1 1 A 63 63 GLU N N 63 119.485 119.206 0.279 1
1 372 . 8 1 1 A 64 64 PHE H H 64 7.792 8.542 -0.750 1
1 373 . 8 1 1 A 64 64 PHE HA H 64 4.448 4.145 0.303 1
1 374 . 8 1 1 A 64 64 PHE C C 64 177.370 177.744 -0.374 1
1 375 . 8 1 1 A 64 64 PHE CA C 64 59.714 60.472 -0.758 1
1 376 . 8 1 1 A 64 64 PHE CB C 64 39.825 39.227 0.598 1
1 377 . 8 1 1 A 64 64 PHE N N 64 118.506 120.843 -2.337 1
1 378 . 8 1 1 A 65 65 TRP H H 65 7.776 7.842 -0.066 1
1 379 . 8 1 1 A 65 65 TRP HA H 65 4.524 3.976 0.548 1
1 380 . 8 1 1 A 65 65 TRP C C 65 175.868 176.273 -0.405 1
1 381 . 8 1 1 A 65 65 TRP CA C 65 57.472 60.252 -2.780 1
1 382 . 8 1 1 A 65 65 TRP CB C 65 30.031 29.883 0.148 1
1 383 . 8 1 1 A 65 65 TRP N N 65 118.247 120.925 -2.678 1
1 384 . 8 1 1 A 66 66 ASP H H 66 7.832 7.610 0.222 1
1 385 . 8 1 1 A 66 66 ASP HA H 66 4.708 4.634 0.074 1
1 386 . 8 1 1 A 66 66 ASP C C 66 175.345 175.601 -0.256 1
1 387 . 8 1 1 A 66 66 ASP CA C 66 53.378 53.594 -0.216 1
1 388 . 8 1 1 A 66 66 ASP CB C 66 38.672 42.247 -3.575 1
1 389 . 8 1 1 A 66 66 ASP N N 66 119.198 119.019 0.179 1
1 390 . 8 1 1 A 67 67 LEU H H 67 7.877 8.467 -0.590 1
1 391 . 8 1 1 A 67 67 LEU HA H 67 4.346 4.563 -0.217 1
1 392 . 8 1 1 A 67 67 LEU C C 67 175.060 176.171 -1.111 1
1 393 . 8 1 1 A 67 67 LEU CA C 67 55.458 53.888 1.570 1
1 394 . 8 1 1 A 67 67 LEU CB C 67 42.444 42.429 0.015 1
1 395 . 8 1 1 A 67 67 LEU N N 67 121.856 126.778 -4.922 1
1 396 . 8 1 1 A 68 68 ASP H H 68 7.939 8.368 -0.429 1
1 397 . 8 1 1 A 68 68 ASP HA H 68 4.571 4.737 -0.166 1
1 398 . 8 1 1 A 68 68 ASP C C 68 176.528 176.780 -0.252 1
1 399 . 8 1 1 A 68 68 ASP CA C 68 54.086 52.995 1.091 1
1 400 . 8 1 1 A 68 68 ASP CB C 68 40.423 40.421 0.002 1
1 401 . 8 1 1 A 68 68 ASP N N 68 122.966 120.447 2.519 1
1 402 . 8 1 1 A 69 69 PRO CA C 69 62.556 64.282 -1.726 1
1 403 . 8 1 1 A 69 69 PRO CB C 69 32.514 31.958 0.556 1
1 404 . 8 1 1 A 70 70 GLU H H 70 8.627 8.139 0.488 1
1 405 . 8 1 1 A 70 70 GLU HA H 70 4.532 4.719 -0.187 1
1 406 . 8 1 1 A 70 70 GLU C C 70 172.210 174.945 -2.735 1
1 407 . 8 1 1 A 70 70 GLU CA C 70 56.488 55.165 1.323 1
1 408 . 8 1 1 A 70 70 GLU CB C 70 29.544 31.391 -1.847 1
1 409 . 8 1 1 A 70 70 GLU N N 70 120.105 118.952 1.153 1
1 410 . 8 1 1 A 71 71 VAL H H 71 7.826 8.901 -1.075 1
1 411 . 8 1 1 A 71 71 VAL HA H 71 4.210 4.323 -0.113 1
1 412 . 8 1 1 A 71 71 VAL C C 71 175.329 175.419 -0.090 1
1 413 . 8 1 1 A 71 71 VAL CA C 71 61.895 61.899 -0.004 1
1 414 . 8 1 1 A 71 71 VAL CB C 71 33.096 30.878 2.218 1
1 415 . 8 1 1 A 71 71 VAL N N 71 119.356 126.302 -6.946 1
1 416 . 8 1 1 A 72 72 ARG H H 72 8.103 8.226 -0.123 1
1 417 . 8 1 1 A 72 72 ARG HA H 72 4.757 4.777 -0.020 1
1 418 . 8 1 1 A 72 72 ARG C C 72 174.732 175.084 -0.352 1
1 419 . 8 1 1 A 72 72 ARG CA C 72 53.719 52.490 1.229 1
1 420 . 8 1 1 A 72 72 ARG CB C 72 30.795 31.680 -0.885 1
1 421 . 8 1 1 A 72 72 ARG N N 72 122.861 127.431 -4.570 1
1 422 . 8 1 1 A 73 73 PRO CA C 73 64.693 64.611 0.082 1
1 423 . 8 1 1 A 73 73 PRO CB C 73 31.605 31.992 -0.387 1
1 424 . 8 1 1 A 74 74 THR H H 74 7.959 7.553 0.406 1
1 425 . 8 1 1 A 74 74 THR HA H 74 4.131 4.001 0.130 1
1 426 . 8 1 1 A 74 74 THR C C 74 176.913 176.136 0.777 1
1 427 . 8 1 1 A 74 74 THR CA C 74 64.309 65.429 -1.120 1
1 428 . 8 1 1 A 74 74 THR CB C 74 69.160 68.839 0.321 1
1 429 . 8 1 1 A 74 74 THR N N 74 110.152 112.217 -2.065 1
1 430 . 8 1 1 A 75 75 SER H H 75 7.997 8.504 -0.507 1
1 431 . 8 1 1 A 75 75 SER HA H 75 4.483 4.266 0.217 1
1 432 . 8 1 1 A 75 75 SER C C 75 176.093 177.186 -1.093 1
1 433 . 8 1 1 A 75 75 SER CA C 75 60.300 61.008 -0.708 1
1 434 . 8 1 1 A 75 75 SER CB C 75 63.327 62.244 1.083 1
1 435 . 8 1 1 A 75 75 SER N N 75 117.147 114.447 2.700 1
1 436 . 8 1 1 A 76 76 ALA H H 76 8.109 7.932 0.177 1
1 437 . 8 1 1 A 76 76 ALA HA H 76 4.219 4.089 0.130 1
1 438 . 8 1 1 A 76 76 ALA C C 76 175.737 179.988 -4.251 1
1 439 . 8 1 1 A 76 76 ALA CA C 76 54.932 55.292 -0.360 1
1 440 . 8 1 1 A 76 76 ALA CB C 76 18.773 18.651 0.122 1
1 441 . 8 1 1 A 76 76 ALA N N 76 124.803 124.673 0.130 1
1 442 . 8 1 1 A 77 77 VAL H H 77 7.798 7.810 -0.012 1
1 443 . 8 1 1 A 77 77 VAL HA H 77 3.682 3.492 0.190 1
1 444 . 8 1 1 A 77 77 VAL C C 77 178.536 178.108 0.428 1
1 445 . 8 1 1 A 77 77 VAL CA C 77 66.335 66.640 -0.305 1
1 446 . 8 1 1 A 77 77 VAL CB C 77 31.744 31.606 0.138 1
1 447 . 8 1 1 A 77 77 VAL N N 77 115.730 117.623 -1.893 1
1 448 . 8 1 1 A 78 78 ALA H H 78 7.832 8.141 -0.309 1
1 449 . 8 1 1 A 78 78 ALA HA H 78 4.115 4.140 -0.025 1
1 450 . 8 1 1 A 78 78 ALA C C 78 177.362 177.924 -0.562 1
1 451 . 8 1 1 A 78 78 ALA CA C 78 54.902 54.797 0.105 1
1 452 . 8 1 1 A 78 78 ALA CB C 78 18.311 19.324 -1.013 1
1 453 . 8 1 1 A 78 78 ALA N N 78 121.924 121.647 0.277 1
1 3 . 9 1 1 A 2 2 GLU H H 2 8.776 8.308 0.468 1
1 4 . 9 1 1 A 2 2 GLU HA H 2 4.415 4.510 -0.095 1
1 5 . 9 1 1 A 2 2 GLU C C 2 171.203 174.518 -3.315 1
1 6 . 9 1 1 A 2 2 GLU CA C 2 56.971 56.052 0.919 1
1 7 . 9 1 1 A 2 2 GLU CB C 2 29.269 32.959 -3.690 1
1 8 . 9 1 1 A 2 2 GLU N N 2 121.323 125.253 -3.930 1
1 9 . 9 1 1 A 3 3 ALA H H 3 8.283 8.707 -0.424 1
1 10 . 9 1 1 A 3 3 ALA HA H 3 4.317 4.360 -0.043 1
1 11 . 9 1 1 A 3 3 ALA C C 3 176.007 178.375 -2.368 1
1 12 . 9 1 1 A 3 3 ALA CA C 3 53.244 52.634 0.610 1
1 13 . 9 1 1 A 3 3 ALA CB C 3 19.153 18.937 0.216 1
1 14 . 9 1 1 A 3 3 ALA N N 3 123.378 129.551 -6.173 1
1 15 . 9 1 1 A 4 4 GLU H H 4 8.109 8.871 -0.762 1
1 16 . 9 1 1 A 4 4 GLU HA H 4 4.366 4.181 0.185 1
1 17 . 9 1 1 A 4 4 GLU C C 4 177.975 178.276 -0.301 1
1 18 . 9 1 1 A 4 4 GLU CA C 4 56.850 58.929 -2.079 1
1 19 . 9 1 1 A 4 4 GLU CB C 4 29.078 29.289 -0.211 1
1 20 . 9 1 1 A 4 4 GLU N N 4 118.121 125.119 -6.998 1
1 21 . 9 1 1 A 5 5 ASP H H 5 8.201 8.281 -0.080 1
1 22 . 9 1 1 A 5 5 ASP HA H 5 4.659 4.439 0.220 1
1 23 . 9 1 1 A 5 5 ASP C C 5 176.393 177.674 -1.281 1
1 24 . 9 1 1 A 5 5 ASP CA C 5 54.166 57.375 -3.209 1
1 25 . 9 1 1 A 5 5 ASP CB C 5 39.422 41.762 -2.340 1
1 26 . 9 1 1 A 5 5 ASP N N 5 119.089 119.957 -0.868 1
1 27 . 9 1 1 A 6 6 ALA H H 6 8.045 7.261 0.784 1
1 28 . 9 1 1 A 6 6 ALA HA H 6 4.376 4.232 0.144 1
1 29 . 9 1 1 A 6 6 ALA C C 6 175.403 177.542 -2.139 1
1 30 . 9 1 1 A 6 6 ALA CA C 6 53.166 53.092 0.074 1
1 31 . 9 1 1 A 6 6 ALA CB C 6 19.232 19.252 -0.020 1
1 32 . 9 1 1 A 6 6 ALA N N 6 123.242 122.248 0.994 1
1 33 . 9 1 1 A 7 7 SER H H 7 8.168 8.926 -0.758 1
1 34 . 9 1 1 A 7 7 SER HA H 7 4.543 4.531 0.012 1
1 35 . 9 1 1 A 7 7 SER C C 7 177.957 175.605 2.352 1
1 36 . 9 1 1 A 7 7 SER CA C 7 59.090 58.403 0.687 1
1 37 . 9 1 1 A 7 7 SER CB C 7 64.084 64.132 -0.048 1
1 38 . 9 1 1 A 7 7 SER N N 7 115.046 117.510 -2.464 1
1 39 . 9 1 1 A 8 8 LEU H H 8 8.410 8.869 -0.459 1
1 40 . 9 1 1 A 8 8 LEU HA H 8 4.297 4.107 0.190 1
1 41 . 9 1 1 A 8 8 LEU C C 8 175.818 177.877 -2.059 1
1 42 . 9 1 1 A 8 8 LEU CA C 8 58.225 56.685 1.540 1
1 43 . 9 1 1 A 8 8 LEU CB C 8 42.057 41.508 0.549 1
1 44 . 9 1 1 A 8 8 LEU N N 8 124.101 124.507 -0.406 1
1 45 . 9 1 1 A 9 9 LEU H H 9 8.007 7.735 0.272 1
1 46 . 9 1 1 A 9 9 LEU HA H 9 4.245 4.282 -0.037 1
1 47 . 9 1 1 A 9 9 LEU C C 9 178.573 179.042 -0.469 1
1 48 . 9 1 1 A 9 9 LEU CA C 9 57.976 55.739 2.237 1
1 49 . 9 1 1 A 9 9 LEU CB C 9 41.475 41.913 -0.438 1
1 50 . 9 1 1 A 9 9 LEU N N 9 117.546 118.784 -1.238 1
1 51 . 9 1 1 A 10 10 SER H H 10 7.979 8.509 -0.530 1
1 52 . 9 1 1 A 10 10 SER HA H 10 4.320 4.233 0.087 1
1 53 . 9 1 1 A 10 10 SER C C 10 178.812 176.402 2.410 1
1 54 . 9 1 1 A 10 10 SER CA C 10 61.538 61.186 0.352 1
1 55 . 9 1 1 A 10 10 SER CB C 10 62.776 62.623 0.153 1
1 56 . 9 1 1 A 10 10 SER N N 10 114.105 114.791 -0.686 1
1 57 . 9 1 1 A 11 11 PHE H H 11 8.046 8.505 -0.459 1
1 58 . 9 1 1 A 11 11 PHE HA H 11 4.439 4.028 0.411 1
1 59 . 9 1 1 A 11 11 PHE C C 11 177.370 177.024 0.346 1
1 60 . 9 1 1 A 11 11 PHE CA C 11 60.823 62.222 -1.399 1
1 61 . 9 1 1 A 11 11 PHE CB C 11 39.190 39.155 0.035 1
1 62 . 9 1 1 A 11 11 PHE N N 11 122.342 122.088 0.254 1
1 63 . 9 1 1 A 12 12 MET H H 12 8.260 8.322 -0.062 1
1 64 . 9 1 1 A 12 12 MET HA H 12 4.303 3.896 0.407 1
1 65 . 9 1 1 A 12 12 MET C C 12 177.760 177.858 -0.098 1
1 66 . 9 1 1 A 12 12 MET CA C 12 58.034 58.392 -0.358 1
1 67 . 9 1 1 A 12 12 MET CB C 12 32.703 32.362 0.341 1
1 68 . 9 1 1 A 12 12 MET N N 12 118.124 117.892 0.232 1
1 69 . 9 1 1 A 13 13 GLN H H 13 8.371 8.230 0.141 1
1 70 . 9 1 1 A 13 13 GLN HA H 13 4.082 3.929 0.153 1
1 71 . 9 1 1 A 13 13 GLN C C 13 177.866 179.390 -1.524 1
1 72 . 9 1 1 A 13 13 GLN CA C 13 59.149 58.871 0.278 1
1 73 . 9 1 1 A 13 13 GLN CB C 13 28.792 28.369 0.423 1
1 74 . 9 1 1 A 13 13 GLN N N 13 118.154 118.385 -0.231 1
1 75 . 9 1 1 A 14 14 GLY H H 14 8.029 8.212 -0.183 1
1 76 . 9 1 1 A 14 14 GLY HA2 H 14 3.916 3.623 0.293 1
1 77 . 9 1 1 A 14 14 GLY C C 14 178.079 175.161 2.918 1
1 78 . 9 1 1 A 14 14 GLY CA C 14 46.795 47.121 -0.326 1
1 79 . 9 1 1 A 14 14 GLY N N 14 106.304 108.787 -2.483 1
1 80 . 9 1 1 A 15 15 TYR H H 15 7.950 8.269 -0.319 1
1 81 . 9 1 1 A 15 15 TYR HA H 15 4.307 3.872 0.435 1
1 82 . 9 1 1 A 15 15 TYR C C 15 175.811 177.321 -1.510 1
1 83 . 9 1 1 A 15 15 TYR CA C 15 61.112 61.332 -0.220 1
1 84 . 9 1 1 A 15 15 TYR CB C 15 39.251 38.349 0.902 1
1 85 . 9 1 1 A 15 15 TYR N N 15 121.528 123.357 -1.829 1
1 86 . 9 1 1 A 16 16 MET H H 16 8.199 7.975 0.224 1
1 87 . 9 1 1 A 16 16 MET HA H 16 4.307 3.950 0.357 1
1 88 . 9 1 1 A 16 16 MET C C 16 177.685 178.342 -0.657 1
1 89 . 9 1 1 A 16 16 MET CA C 16 57.476 58.834 -1.358 1
1 90 . 9 1 1 A 16 16 MET CB C 16 32.342 32.094 0.248 1
1 91 . 9 1 1 A 16 16 MET N N 16 117.173 117.320 -0.147 1
1 92 . 9 1 1 A 17 17 LYS H H 17 7.924 7.908 0.016 1
1 93 . 9 1 1 A 17 17 LYS HA H 17 4.190 4.015 0.175 1
1 94 . 9 1 1 A 17 17 LYS C C 17 177.849 178.608 -0.759 1
1 95 . 9 1 1 A 17 17 LYS CA C 17 58.393 59.035 -0.642 1
1 96 . 9 1 1 A 17 17 LYS CB C 17 32.311 32.140 0.171 1
1 97 . 9 1 1 A 17 17 LYS N N 17 118.640 120.735 -2.095 1
1 98 . 9 1 1 A 18 18 HIS H H 18 7.889 8.425 -0.536 1
1 99 . 9 1 1 A 18 18 HIS HA H 18 4.542 4.139 0.403 1
1 100 . 9 1 1 A 18 18 HIS C C 18 177.796 177.048 0.748 1
1 101 . 9 1 1 A 18 18 HIS CA C 18 56.698 59.259 -2.561 1
1 102 . 9 1 1 A 18 18 HIS CB C 18 28.505 29.857 -1.352 1
1 103 . 9 1 1 A 18 18 HIS N N 18 116.031 120.136 -4.105 1
1 104 . 9 1 1 A 19 19 ALA H H 19 8.144 8.735 -0.591 1
1 105 . 9 1 1 A 19 19 ALA HA H 19 4.282 3.715 0.567 1
1 106 . 9 1 1 A 19 19 ALA C C 19 178.213 179.176 -0.963 1
1 107 . 9 1 1 A 19 19 ALA CA C 19 54.166 54.552 -0.386 1
1 108 . 9 1 1 A 19 19 ALA CB C 19 19.133 17.926 1.207 1
1 109 . 9 1 1 A 19 19 ALA N N 19 123.402 120.434 2.968 1
1 110 . 9 1 1 A 20 20 THR H H 20 8.186 7.299 0.887 1
1 111 . 9 1 1 A 20 20 THR HA H 20 4.128 3.929 0.199 1
1 112 . 9 1 1 A 20 20 THR C C 20 178.380 176.106 2.274 1
1 113 . 9 1 1 A 20 20 THR CA C 20 64.460 65.474 -1.014 1
1 114 . 9 1 1 A 20 20 THR CB C 20 69.213 68.486 0.727 1
1 115 . 9 1 1 A 20 20 THR N N 20 111.155 113.733 -2.578 1
1 116 . 9 1 1 A 21 21 LYS H H 21 7.715 8.494 -0.779 1
1 117 . 9 1 1 A 21 21 LYS HA H 21 4.349 3.928 0.421 1
1 118 . 9 1 1 A 21 21 LYS C C 21 175.517 179.470 -3.953 1
1 119 . 9 1 1 A 21 21 LYS CA C 21 58.000 58.875 -0.875 1
1 120 . 9 1 1 A 21 21 LYS CB C 21 32.848 31.637 1.211 1
1 121 . 9 1 1 A 21 21 LYS N N 21 121.662 121.310 0.352 1
1 122 . 9 1 1 A 22 22 THR H H 22 8.000 7.614 0.386 1
1 123 . 9 1 1 A 22 22 THR HA H 22 4.297 3.923 0.374 1
1 124 . 9 1 1 A 22 22 THR C C 22 177.240 176.200 1.040 1
1 125 . 9 1 1 A 22 22 THR CA C 22 64.040 65.426 -1.386 1
1 126 . 9 1 1 A 22 22 THR CB C 22 69.733 68.164 1.569 1
1 127 . 9 1 1 A 22 22 THR N N 22 113.812 116.640 -2.828 1
1 128 . 9 1 1 A 23 23 ALA H H 23 8.412 7.664 0.748 1
1 129 . 9 1 1 A 23 23 ALA HA H 23 4.122 3.991 0.131 1
1 130 . 9 1 1 A 23 23 ALA C C 23 175.964 179.927 -3.963 1
1 131 . 9 1 1 A 23 23 ALA CA C 23 55.316 55.476 -0.160 1
1 132 . 9 1 1 A 23 23 ALA CB C 23 18.618 18.353 0.265 1
1 133 . 9 1 1 A 23 23 ALA N N 23 123.778 123.706 0.072 1
1 134 . 9 1 1 A 24 24 LYS H H 24 8.205 7.711 0.494 1
1 135 . 9 1 1 A 24 24 LYS HA H 24 3.975 3.968 0.007 1
1 136 . 9 1 1 A 24 24 LYS C C 24 178.579 178.529 0.050 1
1 137 . 9 1 1 A 24 24 LYS CA C 24 59.821 59.339 0.482 1
1 138 . 9 1 1 A 24 24 LYS CB C 24 32.287 32.104 0.183 1
1 139 . 9 1 1 A 24 24 LYS N N 24 116.572 117.366 -0.794 1
1 140 . 9 1 1 A 25 25 ASP H H 25 8.162 8.350 -0.188 1
1 141 . 9 1 1 A 25 25 ASP HA H 25 4.633 4.308 0.325 1
1 142 . 9 1 1 A 25 25 ASP C C 25 178.849 178.951 -0.102 1
1 143 . 9 1 1 A 25 25 ASP CA C 25 56.667 57.378 -0.711 1
1 144 . 9 1 1 A 25 25 ASP CB C 25 39.431 40.194 -0.763 1
1 145 . 9 1 1 A 25 25 ASP N N 25 119.217 118.995 0.222 1
1 146 . 9 1 1 A 26 26 ALA H H 26 8.144 8.253 -0.109 1
1 147 . 9 1 1 A 26 26 ALA HA H 26 4.297 4.087 0.210 1
1 148 . 9 1 1 A 26 26 ALA C C 26 175.378 179.929 -4.551 1
1 149 . 9 1 1 A 26 26 ALA CA C 26 54.877 54.919 -0.042 1
1 150 . 9 1 1 A 26 26 ALA CB C 26 18.648 18.051 0.597 1
1 151 . 9 1 1 A 26 26 ALA N N 26 123.402 122.780 0.622 1
1 152 . 9 1 1 A 27 27 LEU H H 27 8.203 9.682 -1.479 1
1 153 . 9 1 1 A 27 27 LEU HA H 27 4.149 3.910 0.239 1
1 154 . 9 1 1 A 27 27 LEU C C 27 179.408 179.349 0.059 1
1 155 . 9 1 1 A 27 27 LEU CA C 27 57.457 58.106 -0.649 1
1 156 . 9 1 1 A 27 27 LEU CB C 27 41.794 41.254 0.540 1
1 157 . 9 1 1 A 27 27 LEU N N 27 117.567 119.369 -1.802 1
1 158 . 9 1 1 A 28 28 SER H H 28 8.010 8.569 -0.559 1
1 159 . 9 1 1 A 28 28 SER HA H 28 4.348 4.277 0.071 1
1 160 . 9 1 1 A 28 28 SER C C 28 178.515 175.695 2.820 1
1 161 . 9 1 1 A 28 28 SER CA C 28 61.275 61.650 -0.375 1
1 162 . 9 1 1 A 28 28 SER CB C 28 63.339 62.849 0.490 1
1 163 . 9 1 1 A 28 28 SER N N 28 113.313 114.072 -0.759 1
1 164 . 9 1 1 A 29 29 SER H H 29 7.899 8.367 -0.468 1
1 165 . 9 1 1 A 29 29 SER HA H 29 4.483 4.447 0.036 1
1 166 . 9 1 1 A 29 29 SER C C 29 176.227 176.003 0.224 1
1 167 . 9 1 1 A 29 29 SER CA C 29 60.684 60.154 0.530 1
1 168 . 9 1 1 A 29 29 SER CB C 29 63.720 63.296 0.424 1
1 169 . 9 1 1 A 29 29 SER N N 29 116.193 116.139 0.054 1
1 170 . 9 1 1 A 30 30 VAL H H 30 7.832 8.000 -0.168 1
1 171 . 9 1 1 A 30 30 VAL HA H 30 4.131 3.961 0.170 1
1 172 . 9 1 1 A 30 30 VAL C C 30 175.982 177.708 -1.726 1
1 173 . 9 1 1 A 30 30 VAL CA C 30 64.518 64.277 0.241 1
1 174 . 9 1 1 A 30 30 VAL CB C 30 32.102 31.590 0.512 1
1 175 . 9 1 1 A 30 30 VAL N N 30 120.035 120.956 -0.921 1
1 176 . 9 1 1 A 31 31 GLN H H 31 8.252 8.079 0.173 1
1 177 . 9 1 1 A 31 31 GLN HA H 31 4.222 4.019 0.203 1
1 178 . 9 1 1 A 31 31 GLN C C 31 177.403 177.768 -0.365 1
1 179 . 9 1 1 A 31 31 GLN CA C 31 57.904 58.705 -0.801 1
1 180 . 9 1 1 A 31 31 GLN CB C 31 29.119 28.227 0.892 1
1 181 . 9 1 1 A 31 31 GLN N N 31 120.710 121.740 -1.030 1
1 182 . 9 1 1 A 32 32 GLU H H 32 8.049 8.056 -0.007 1
1 183 . 9 1 1 A 32 32 GLU HA H 32 4.320 4.290 0.030 1
1 184 . 9 1 1 A 32 32 GLU C C 32 176.734 178.803 -2.069 1
1 185 . 9 1 1 A 32 32 GLU CA C 32 57.116 58.672 -1.556 1
1 186 . 9 1 1 A 32 32 GLU CB C 32 28.505 29.151 -0.646 1
1 187 . 9 1 1 A 32 32 GLU N N 32 117.872 118.558 -0.686 1
1 188 . 9 1 1 A 33 33 SER H H 33 7.973 9.490 -1.517 1
1 189 . 9 1 1 A 33 33 SER HA H 33 4.454 4.199 0.255 1
1 190 . 9 1 1 A 33 33 SER C C 33 176.505 176.330 0.175 1
1 191 . 9 1 1 A 33 33 SER CA C 33 59.379 60.854 -1.475 1
1 192 . 9 1 1 A 33 33 SER CB C 33 64.359 63.126 1.233 1
1 193 . 9 1 1 A 33 33 SER N N 33 115.021 115.460 -0.439 1
1 194 . 9 1 1 A 34 34 GLN H H 34 8.379 8.004 0.375 1
1 195 . 9 1 1 A 34 34 GLN HA H 34 4.249 4.063 0.186 1
1 196 . 9 1 1 A 34 34 GLN C C 34 175.446 178.816 -3.370 1
1 197 . 9 1 1 A 34 34 GLN CA C 34 58.287 58.479 -0.192 1
1 198 . 9 1 1 A 34 34 GLN CB C 34 28.507 28.202 0.305 1
1 199 . 9 1 1 A 34 34 GLN N N 34 121.821 119.667 2.154 1
1 200 . 9 1 1 A 35 35 VAL H H 35 7.885 7.847 0.038 1
1 201 . 9 1 1 A 35 35 VAL HA H 35 3.890 3.775 0.115 1
1 202 . 9 1 1 A 35 35 VAL C C 35 178.220 177.095 1.125 1
1 203 . 9 1 1 A 35 35 VAL CA C 35 65.572 64.778 0.794 1
1 204 . 9 1 1 A 35 35 VAL CB C 35 31.809 31.588 0.221 1
1 205 . 9 1 1 A 35 35 VAL N N 35 118.193 119.769 -1.576 1
1 206 . 9 1 1 A 36 36 ALA H H 36 7.941 8.073 -0.132 1
1 207 . 9 1 1 A 36 36 ALA HA H 36 4.017 4.020 -0.003 1
1 208 . 9 1 1 A 36 36 ALA C C 36 175.366 179.347 -3.981 1
1 209 . 9 1 1 A 36 36 ALA CA C 36 55.299 55.509 -0.210 1
1 210 . 9 1 1 A 36 36 ALA CB C 36 18.710 18.564 0.146 1
1 211 . 9 1 1 A 36 36 ALA N N 36 121.942 124.160 -2.218 1
1 212 . 9 1 1 A 37 37 GLN H H 37 7.771 8.067 -0.296 1
1 213 . 9 1 1 A 37 37 GLN HA H 37 4.072 3.938 0.134 1
1 214 . 9 1 1 A 37 37 GLN C C 37 179.036 178.015 1.021 1
1 215 . 9 1 1 A 37 37 GLN CA C 37 58.656 59.314 -0.658 1
1 216 . 9 1 1 A 37 37 GLN CB C 37 28.583 28.278 0.305 1
1 217 . 9 1 1 A 37 37 GLN N N 37 115.154 117.936 -2.782 1
1 218 . 9 1 1 A 38 38 GLN H H 38 8.057 7.949 0.108 1
1 219 . 9 1 1 A 38 38 GLN HA H 38 4.161 4.025 0.136 1
1 220 . 9 1 1 A 38 38 GLN C C 38 178.965 177.607 1.358 1
1 221 . 9 1 1 A 38 38 GLN CA C 38 57.879 58.746 -0.867 1
1 222 . 9 1 1 A 38 38 GLN CB C 38 28.936 28.848 0.088 1
1 223 . 9 1 1 A 38 38 GLN N N 38 119.273 118.768 0.505 1
1 224 . 9 1 1 A 39 39 ALA H H 39 8.226 8.719 -0.493 1
1 225 . 9 1 1 A 39 39 ALA HA H 39 3.878 4.253 -0.375 1
1 226 . 9 1 1 A 39 39 ALA C C 39 178.002 179.811 -1.809 1
1 227 . 9 1 1 A 39 39 ALA CA C 39 54.780 55.163 -0.383 1
1 228 . 9 1 1 A 39 39 ALA CB C 39 18.626 18.739 -0.113 1
1 229 . 9 1 1 A 39 39 ALA N N 39 121.849 121.144 0.705 1
1 230 . 9 1 1 A 40 40 ARG H H 40 8.078 8.539 -0.461 1
1 231 . 9 1 1 A 40 40 ARG HA H 40 4.519 4.066 0.453 1
1 232 . 9 1 1 A 40 40 ARG C C 40 178.581 178.695 -0.114 1
1 233 . 9 1 1 A 40 40 ARG CA C 40 59.438 57.818 1.620 1
1 234 . 9 1 1 A 40 40 ARG CB C 40 30.064 29.057 1.007 1
1 235 . 9 1 1 A 40 40 ARG N N 40 116.166 117.292 -1.126 1
1 236 . 9 1 1 A 41 41 GLY H H 41 7.962 9.014 -1.052 1
1 237 . 9 1 1 A 41 41 GLY HA2 H 41 3.965 3.505 0.460 1
1 238 . 9 1 1 A 41 41 GLY C C 41 178.678 175.901 2.777 1
1 239 . 9 1 1 A 41 41 GLY CA C 41 46.734 47.188 -0.454 1
1 240 . 9 1 1 A 41 41 GLY N N 41 106.758 108.891 -2.133 1
1 241 . 9 1 1 A 42 42 TRP H H 42 7.941 7.564 0.377 1
1 242 . 9 1 1 A 42 42 TRP HA H 42 4.027 4.609 -0.582 1
1 243 . 9 1 1 A 42 42 TRP C C 42 176.967 178.550 -1.583 1
1 244 . 9 1 1 A 42 42 TRP CA C 42 59.749 59.752 -0.003 1
1 245 . 9 1 1 A 42 42 TRP CB C 42 29.555 29.152 0.403 1
1 246 . 9 1 1 A 42 42 TRP N N 42 121.942 122.418 -0.476 1
1 247 . 9 1 1 A 43 43 VAL H H 43 8.025 7.962 0.063 1
1 248 . 9 1 1 A 43 43 VAL HA H 43 3.848 3.724 0.124 1
1 249 . 9 1 1 A 43 43 VAL C C 43 178.333 178.210 0.123 1
1 250 . 9 1 1 A 43 43 VAL CA C 43 65.233 65.265 -0.032 1
1 251 . 9 1 1 A 43 43 VAL CB C 43 32.013 31.121 0.892 1
1 252 . 9 1 1 A 43 43 VAL N N 43 116.325 120.246 -3.921 1
1 253 . 9 1 1 A 44 44 THR H H 44 7.969 8.272 -0.303 1
1 254 . 9 1 1 A 44 44 THR HA H 44 4.239 3.917 0.322 1
1 255 . 9 1 1 A 44 44 THR C C 44 177.224 175.419 1.805 1
1 256 . 9 1 1 A 44 44 THR CA C 44 65.189 66.928 -1.739 1
1 257 . 9 1 1 A 44 44 THR CB C 44 69.255 68.466 0.789 1
1 258 . 9 1 1 A 44 44 THR N N 44 113.656 116.968 -3.312 1
1 259 . 9 1 1 A 45 45 ASP H H 45 8.195 7.787 0.408 1
1 260 . 9 1 1 A 45 45 ASP HA H 45 4.759 4.777 -0.018 1
1 261 . 9 1 1 A 45 45 ASP C C 45 176.240 176.256 -0.016 1
1 262 . 9 1 1 A 45 45 ASP CA C 45 55.102 53.992 1.110 1
1 263 . 9 1 1 A 45 45 ASP CB C 45 39.325 41.097 -1.772 1
1 264 . 9 1 1 A 45 45 ASP N N 45 120.741 118.204 2.537 1
1 265 . 9 1 1 A 46 46 GLY H H 46 8.193 8.188 0.005 1
1 266 . 9 1 1 A 46 46 GLY HA2 H 46 3.809 4.001 -0.192 1
1 267 . 9 1 1 A 46 46 GLY C C 46 177.272 175.608 1.664 1
1 268 . 9 1 1 A 46 46 GLY CA C 46 46.513 47.154 -0.641 1
1 269 . 9 1 1 A 46 46 GLY N N 46 108.690 108.211 0.479 1
1 270 . 9 1 1 A 47 47 PHE H H 47 8.371 8.297 0.074 1
1 271 . 9 1 1 A 47 47 PHE HA H 47 4.448 4.312 0.136 1
1 272 . 9 1 1 A 47 47 PHE C C 47 174.681 177.650 -2.969 1
1 273 . 9 1 1 A 47 47 PHE CA C 47 60.145 60.100 0.045 1
1 274 . 9 1 1 A 47 47 PHE CB C 47 38.825 37.766 1.059 1
1 275 . 9 1 1 A 47 47 PHE N N 47 119.504 120.495 -0.991 1
1 276 . 9 1 1 A 48 48 SER H H 48 8.160 7.834 0.326 1
1 277 . 9 1 1 A 48 48 SER HA H 48 4.195 3.422 0.773 1
1 278 . 9 1 1 A 48 48 SER C C 48 177.055 176.672 0.383 1
1 279 . 9 1 1 A 48 48 SER CA C 48 61.834 61.527 0.307 1
1 280 . 9 1 1 A 48 48 SER CB C 48 63.181 62.929 0.252 1
1 281 . 9 1 1 A 48 48 SER N N 48 113.986 117.182 -3.196 1
1 282 . 9 1 1 A 49 49 SER H H 49 8.050 8.249 -0.199 1
1 283 . 9 1 1 A 49 49 SER HA H 49 4.454 4.249 0.205 1
1 284 . 9 1 1 A 49 49 SER C C 49 176.526 175.946 0.580 1
1 285 . 9 1 1 A 49 49 SER CA C 49 61.217 60.676 0.541 1
1 286 . 9 1 1 A 49 49 SER CB C 49 63.302 62.938 0.364 1
1 287 . 9 1 1 A 49 49 SER N N 49 116.779 116.282 0.497 1
1 288 . 9 1 1 A 50 50 LEU H H 50 8.003 7.944 0.059 1
1 289 . 9 1 1 A 50 50 LEU HA H 50 4.293 4.134 0.159 1
1 290 . 9 1 1 A 50 50 LEU C C 50 175.754 179.090 -3.336 1
1 291 . 9 1 1 A 50 50 LEU CA C 50 58.134 56.820 1.314 1
1 292 . 9 1 1 A 50 50 LEU CB C 50 41.976 41.720 0.256 1
1 293 . 9 1 1 A 50 50 LEU N N 50 122.176 120.745 1.431 1
1 294 . 9 1 1 A 51 51 LYS H H 51 8.091 8.956 -0.865 1
1 295 . 9 1 1 A 51 51 LYS HA H 51 4.072 4.142 -0.070 1
1 296 . 9 1 1 A 51 51 LYS C C 51 178.459 178.400 0.059 1
1 297 . 9 1 1 A 51 51 LYS CA C 51 60.375 60.075 0.300 1
1 298 . 9 1 1 A 51 51 LYS CB C 51 32.156 32.207 -0.051 1
1 299 . 9 1 1 A 51 51 LYS N N 51 117.526 121.201 -3.675 1
1 300 . 9 1 1 A 52 52 ASP H H 52 7.915 8.306 -0.391 1
1 301 . 9 1 1 A 52 52 ASP HA H 52 4.594 4.324 0.270 1
1 302 . 9 1 1 A 52 52 ASP C C 52 178.854 178.187 0.667 1
1 303 . 9 1 1 A 52 52 ASP CA C 52 56.696 57.287 -0.591 1
1 304 . 9 1 1 A 52 52 ASP CB C 52 39.194 40.633 -1.439 1
1 305 . 9 1 1 A 52 52 ASP N N 52 119.070 119.295 -0.225 1
1 306 . 9 1 1 A 53 53 TYR H H 53 8.144 7.578 0.566 1
1 307 . 9 1 1 A 53 53 TYR HA H 53 4.630 4.436 0.194 1
1 308 . 9 1 1 A 53 53 TYR C C 53 178.269 177.423 0.846 1
1 309 . 9 1 1 A 53 53 TYR CA C 53 60.692 61.484 -0.792 1
1 310 . 9 1 1 A 53 53 TYR CB C 53 38.569 38.353 0.216 1
1 311 . 9 1 1 A 53 53 TYR N N 53 120.243 120.282 -0.039 1
1 312 . 9 1 1 A 54 54 TRP H H 54 8.591 9.281 -0.690 1
1 313 . 9 1 1 A 54 54 TRP HA H 54 4.494 4.191 0.303 1
1 314 . 9 1 1 A 54 54 TRP C C 54 178.007 178.147 -0.140 1
1 315 . 9 1 1 A 54 54 TRP CA C 54 59.747 61.116 -1.369 1
1 316 . 9 1 1 A 54 54 TRP CB C 54 30.447 29.793 0.654 1
1 317 . 9 1 1 A 54 54 TRP N N 54 120.624 121.814 -1.190 1
1 318 . 9 1 1 A 55 55 SER H H 55 8.223 9.599 -1.376 1
1 319 . 9 1 1 A 55 55 SER HA H 55 3.906 3.643 0.263 1
1 320 . 9 1 1 A 55 55 SER C C 55 176.913 176.292 0.621 1
1 321 . 9 1 1 A 55 55 SER CA C 55 62.150 61.023 1.127 1
1 322 . 9 1 1 A 55 55 SER CB C 55 63.019 63.030 -0.011 1
1 323 . 9 1 1 A 55 55 SER N N 55 112.199 113.489 -1.290 1
1 324 . 9 1 1 A 56 56 THR H H 56 7.689 7.710 -0.021 1
1 325 . 9 1 1 A 56 56 THR HA H 56 4.104 3.952 0.152 1
1 326 . 9 1 1 A 56 56 THR C C 56 176.440 176.134 0.306 1
1 327 . 9 1 1 A 56 56 THR CA C 56 66.346 64.990 1.356 1
1 328 . 9 1 1 A 56 56 THR CB C 56 68.858 68.609 0.249 1
1 329 . 9 1 1 A 56 56 THR N N 56 117.331 115.315 2.016 1
1 330 . 9 1 1 A 57 57 VAL H H 57 7.960 7.672 0.288 1
1 331 . 9 1 1 A 57 57 VAL HA H 57 3.623 3.431 0.192 1
1 332 . 9 1 1 A 57 57 VAL C C 57 176.128 177.816 -1.688 1
1 333 . 9 1 1 A 57 57 VAL CA C 57 66.489 66.646 -0.157 1
1 334 . 9 1 1 A 57 57 VAL CB C 57 31.829 31.249 0.580 1
1 335 . 9 1 1 A 57 57 VAL N N 57 121.777 121.827 -0.050 1
1 336 . 9 1 1 A 58 58 LYS H H 58 8.100 7.813 0.287 1
1 337 . 9 1 1 A 58 58 LYS HA H 58 3.554 3.825 -0.271 1
1 338 . 9 1 1 A 58 58 LYS C C 58 177.265 178.369 -1.104 1
1 339 . 9 1 1 A 58 58 LYS CA C 58 60.174 59.770 0.404 1
1 340 . 9 1 1 A 58 58 LYS CB C 58 31.373 31.975 -0.602 1
1 341 . 9 1 1 A 58 58 LYS N N 58 119.262 119.818 -0.556 1
1 342 . 9 1 1 A 59 59 ASP H H 59 7.826 8.063 -0.237 1
1 343 . 9 1 1 A 59 59 ASP HA H 59 4.473 4.343 0.130 1
1 344 . 9 1 1 A 59 59 ASP C C 59 178.762 178.715 0.047 1
1 345 . 9 1 1 A 59 59 ASP CA C 59 56.562 57.242 -0.680 1
1 346 . 9 1 1 A 59 59 ASP CB C 59 39.446 40.415 -0.969 1
1 347 . 9 1 1 A 59 59 ASP N N 59 117.771 118.846 -1.075 1
1 348 . 9 1 1 A 60 60 LYS H H 60 8.052 9.580 -1.528 1
1 349 . 9 1 1 A 60 60 LYS HA H 60 4.141 4.188 -0.047 1
1 350 . 9 1 1 A 60 60 LYS C C 60 178.220 179.113 -0.893 1
1 351 . 9 1 1 A 60 60 LYS CA C 60 58.383 58.340 0.043 1
1 352 . 9 1 1 A 60 60 LYS CB C 60 32.095 32.003 0.092 1
1 353 . 9 1 1 A 60 60 LYS N N 60 119.850 119.056 0.794 1
1 354 . 9 1 1 A 61 61 PHE H H 61 8.301 8.408 -0.107 1
1 355 . 9 1 1 A 61 61 PHE HA H 61 4.337 4.215 0.122 1
1 356 . 9 1 1 A 61 61 PHE C C 61 178.462 177.876 0.586 1
1 357 . 9 1 1 A 61 61 PHE CA C 61 60.780 61.169 -0.389 1
1 358 . 9 1 1 A 61 61 PHE CB C 61 39.194 39.387 -0.193 1
1 359 . 9 1 1 A 61 61 PHE N N 61 118.056 121.836 -3.780 1
1 360 . 9 1 1 A 62 62 SER H H 62 8.160 8.138 0.022 1
1 361 . 9 1 1 A 62 62 SER HA H 62 4.229 4.170 0.059 1
1 362 . 9 1 1 A 62 62 SER C C 62 177.060 177.314 -0.254 1
1 363 . 9 1 1 A 62 62 SER CA C 62 61.546 61.740 -0.194 1
1 364 . 9 1 1 A 62 62 SER CB C 62 63.368 62.924 0.444 1
1 365 . 9 1 1 A 62 62 SER N N 62 113.635 114.303 -0.668 1
1 366 . 9 1 1 A 63 63 GLU H H 63 7.847 7.973 -0.126 1
1 367 . 9 1 1 A 63 63 GLU HA H 63 4.200 4.180 0.020 1
1 368 . 9 1 1 A 63 63 GLU C C 63 175.917 179.214 -3.297 1
1 369 . 9 1 1 A 63 63 GLU CA C 63 57.833 58.714 -0.881 1
1 370 . 9 1 1 A 63 63 GLU CB C 63 28.314 29.396 -1.082 1
1 371 . 9 1 1 A 63 63 GLU N N 63 119.485 121.100 -1.615 1
1 372 . 9 1 1 A 64 64 PHE H H 64 7.792 8.543 -0.751 1
1 373 . 9 1 1 A 64 64 PHE HA H 64 4.448 4.124 0.324 1
1 374 . 9 1 1 A 64 64 PHE C C 64 177.370 177.741 -0.371 1
1 375 . 9 1 1 A 64 64 PHE CA C 64 59.714 60.470 -0.756 1
1 376 . 9 1 1 A 64 64 PHE CB C 64 39.825 39.239 0.586 1
1 377 . 9 1 1 A 64 64 PHE N N 64 118.506 121.307 -2.801 1
1 378 . 9 1 1 A 65 65 TRP H H 65 7.776 7.842 -0.066 1
1 379 . 9 1 1 A 65 65 TRP HA H 65 4.524 4.020 0.504 1
1 380 . 9 1 1 A 65 65 TRP C C 65 175.868 175.968 -0.100 1
1 381 . 9 1 1 A 65 65 TRP CA C 65 57.472 60.270 -2.798 1
1 382 . 9 1 1 A 65 65 TRP CB C 65 30.031 29.856 0.175 1
1 383 . 9 1 1 A 65 65 TRP N N 65 118.247 120.927 -2.680 1
1 384 . 9 1 1 A 66 66 ASP H H 66 7.832 7.586 0.246 1
1 385 . 9 1 1 A 66 66 ASP HA H 66 4.708 4.644 0.064 1
1 386 . 9 1 1 A 66 66 ASP C C 66 175.345 175.251 0.094 1
1 387 . 9 1 1 A 66 66 ASP CA C 66 53.378 53.850 -0.472 1
1 388 . 9 1 1 A 66 66 ASP CB C 66 38.672 40.975 -2.303 1
1 389 . 9 1 1 A 66 66 ASP N N 66 119.198 118.068 1.130 1
1 390 . 9 1 1 A 67 67 LEU H H 67 7.877 8.488 -0.611 1
1 391 . 9 1 1 A 67 67 LEU HA H 67 4.346 4.524 -0.178 1
1 392 . 9 1 1 A 67 67 LEU C C 67 175.060 176.162 -1.102 1
1 393 . 9 1 1 A 67 67 LEU CA C 67 55.458 53.870 1.588 1
1 394 . 9 1 1 A 67 67 LEU CB C 67 42.444 42.472 -0.028 1
1 395 . 9 1 1 A 67 67 LEU N N 67 121.856 125.572 -3.716 1
1 396 . 9 1 1 A 68 68 ASP H H 68 7.939 8.346 -0.407 1
1 397 . 9 1 1 A 68 68 ASP HA H 68 4.571 4.727 -0.156 1
1 398 . 9 1 1 A 68 68 ASP C C 68 176.528 176.776 -0.248 1
1 399 . 9 1 1 A 68 68 ASP CA C 68 54.086 52.984 1.102 1
1 400 . 9 1 1 A 68 68 ASP CB C 68 40.423 40.319 0.104 1
1 401 . 9 1 1 A 68 68 ASP N N 68 122.966 120.434 2.532 1
1 402 . 9 1 1 A 69 69 PRO CA C 69 62.556 64.281 -1.725 1
1 403 . 9 1 1 A 69 69 PRO CB C 69 32.514 31.967 0.547 1
1 404 . 9 1 1 A 70 70 GLU H H 70 8.627 7.888 0.739 1
1 405 . 9 1 1 A 70 70 GLU HA H 70 4.532 4.791 -0.259 1
1 406 . 9 1 1 A 70 70 GLU C C 70 172.210 174.584 -2.374 1
1 407 . 9 1 1 A 70 70 GLU CA C 70 56.488 54.380 2.108 1
1 408 . 9 1 1 A 70 70 GLU CB C 70 29.544 31.665 -2.121 1
1 409 . 9 1 1 A 70 70 GLU N N 70 120.105 113.612 6.493 1
1 410 . 9 1 1 A 71 71 VAL H H 71 7.826 8.779 -0.953 1
1 411 . 9 1 1 A 71 71 VAL HA H 71 4.210 4.507 -0.297 1
1 412 . 9 1 1 A 71 71 VAL C C 71 175.329 174.515 0.814 1
1 413 . 9 1 1 A 71 71 VAL CA C 71 61.895 61.066 0.829 1
1 414 . 9 1 1 A 71 71 VAL CB C 71 33.096 32.254 0.842 1
1 415 . 9 1 1 A 71 71 VAL N N 71 119.356 126.167 -6.811 1
1 416 . 9 1 1 A 72 72 ARG H H 72 8.103 8.241 -0.138 1
1 417 . 9 1 1 A 72 72 ARG HA H 72 4.757 4.768 -0.011 1
1 418 . 9 1 1 A 72 72 ARG C C 72 174.732 175.678 -0.946 1
1 419 . 9 1 1 A 72 72 ARG CA C 72 53.719 52.835 0.884 1
1 420 . 9 1 1 A 72 72 ARG CB C 72 30.795 31.339 -0.544 1
1 421 . 9 1 1 A 72 72 ARG N N 72 122.861 127.801 -4.940 1
1 422 . 9 1 1 A 73 73 PRO CA C 73 64.693 64.371 0.322 1
1 423 . 9 1 1 A 73 73 PRO CB C 73 31.605 31.863 -0.258 1
1 424 . 9 1 1 A 74 74 THR H H 74 7.959 7.590 0.369 1
1 425 . 9 1 1 A 74 74 THR HA H 74 4.131 4.029 0.102 1
1 426 . 9 1 1 A 74 74 THR C C 74 176.913 176.064 0.849 1
1 427 . 9 1 1 A 74 74 THR CA C 74 64.309 65.241 -0.932 1
1 428 . 9 1 1 A 74 74 THR CB C 74 69.160 69.014 0.146 1
1 429 . 9 1 1 A 74 74 THR N N 74 110.152 112.143 -1.991 1
1 430 . 9 1 1 A 75 75 SER H H 75 7.997 8.228 -0.231 1
1 431 . 9 1 1 A 75 75 SER HA H 75 4.483 4.069 0.414 1
1 432 . 9 1 1 A 75 75 SER C C 75 176.093 176.242 -0.149 1
1 433 . 9 1 1 A 75 75 SER CA C 75 60.300 62.230 -1.930 1
1 434 . 9 1 1 A 75 75 SER CB C 75 63.327 62.644 0.683 1
1 435 . 9 1 1 A 75 75 SER N N 75 117.147 115.418 1.729 1
1 436 . 9 1 1 A 76 76 ALA H H 76 8.109 7.513 0.596 1
1 437 . 9 1 1 A 76 76 ALA HA H 76 4.219 4.087 0.132 1
1 438 . 9 1 1 A 76 76 ALA C C 76 175.737 180.018 -4.281 1
1 439 . 9 1 1 A 76 76 ALA CA C 76 54.932 55.286 -0.354 1
1 440 . 9 1 1 A 76 76 ALA CB C 76 18.773 18.556 0.217 1
1 441 . 9 1 1 A 76 76 ALA N N 76 124.803 123.404 1.399 1
1 442 . 9 1 1 A 77 77 VAL H H 77 7.798 8.208 -0.410 1
1 443 . 9 1 1 A 77 77 VAL HA H 77 3.682 3.524 0.158 1
1 444 . 9 1 1 A 77 77 VAL C C 77 178.536 178.174 0.362 1
1 445 . 9 1 1 A 77 77 VAL CA C 77 66.335 66.643 -0.308 1
1 446 . 9 1 1 A 77 77 VAL CB C 77 31.744 31.592 0.152 1
1 447 . 9 1 1 A 77 77 VAL N N 77 115.730 117.486 -1.756 1
1 448 . 9 1 1 A 78 78 ALA H H 78 7.832 8.119 -0.287 1
1 449 . 9 1 1 A 78 78 ALA HA H 78 4.115 4.140 -0.025 1
1 450 . 9 1 1 A 78 78 ALA C C 78 177.362 177.922 -0.560 1
1 451 . 9 1 1 A 78 78 ALA CA C 78 54.902 54.804 0.098 1
1 452 . 9 1 1 A 78 78 ALA CB C 78 18.311 19.367 -1.056 1
1 453 . 9 1 1 A 78 78 ALA N N 78 121.924 121.471 0.453 1
1 3 . 10 1 1 A 2 2 GLU H H 2 8.776 8.721 0.055 1
1 4 . 10 1 1 A 2 2 GLU HA H 2 4.415 4.368 0.047 1
1 5 . 10 1 1 A 2 2 GLU C C 2 171.203 176.006 -4.803 1
1 6 . 10 1 1 A 2 2 GLU CA C 2 56.971 56.396 0.575 1
1 7 . 10 1 1 A 2 2 GLU CB C 2 29.269 30.350 -1.081 1
1 8 . 10 1 1 A 2 2 GLU N N 2 121.323 126.177 -4.854 1
1 9 . 10 1 1 A 3 3 ALA H H 3 8.283 8.671 -0.388 1
1 10 . 10 1 1 A 3 3 ALA HA H 3 4.317 4.257 0.060 1
1 11 . 10 1 1 A 3 3 ALA C C 3 176.007 178.808 -2.801 1
1 12 . 10 1 1 A 3 3 ALA CA C 3 53.244 52.828 0.416 1
1 13 . 10 1 1 A 3 3 ALA CB C 3 19.153 19.213 -0.060 1
1 14 . 10 1 1 A 3 3 ALA N N 3 123.378 125.259 -1.881 1
1 15 . 10 1 1 A 4 4 GLU H H 4 8.109 9.006 -0.897 1
1 16 . 10 1 1 A 4 4 GLU HA H 4 4.366 3.966 0.400 1
1 17 . 10 1 1 A 4 4 GLU C C 4 177.975 177.681 0.294 1
1 18 . 10 1 1 A 4 4 GLU CA C 4 56.850 59.097 -2.247 1
1 19 . 10 1 1 A 4 4 GLU CB C 4 29.078 29.715 -0.637 1
1 20 . 10 1 1 A 4 4 GLU N N 4 118.121 125.277 -7.156 1
1 21 . 10 1 1 A 5 5 ASP H H 5 8.201 7.971 0.230 1
1 22 . 10 1 1 A 5 5 ASP HA H 5 4.659 4.455 0.204 1
1 23 . 10 1 1 A 5 5 ASP C C 5 176.393 177.577 -1.184 1
1 24 . 10 1 1 A 5 5 ASP CA C 5 54.166 57.162 -2.996 1
1 25 . 10 1 1 A 5 5 ASP CB C 5 39.422 40.409 -0.987 1
1 26 . 10 1 1 A 5 5 ASP N N 5 119.089 118.176 0.913 1
1 27 . 10 1 1 A 6 6 ALA H H 6 8.045 7.191 0.854 1
1 28 . 10 1 1 A 6 6 ALA HA H 6 4.376 4.264 0.112 1
1 29 . 10 1 1 A 6 6 ALA C C 6 175.403 177.279 -1.876 1
1 30 . 10 1 1 A 6 6 ALA CA C 6 53.166 52.735 0.431 1
1 31 . 10 1 1 A 6 6 ALA CB C 6 19.232 19.149 0.083 1
1 32 . 10 1 1 A 6 6 ALA N N 6 123.242 122.860 0.382 1
1 33 . 10 1 1 A 7 7 SER H H 7 8.168 8.556 -0.388 1
1 34 . 10 1 1 A 7 7 SER HA H 7 4.543 4.624 -0.081 1
1 35 . 10 1 1 A 7 7 SER C C 7 177.957 175.577 2.380 1
1 36 . 10 1 1 A 7 7 SER CA C 7 59.090 58.065 1.025 1
1 37 . 10 1 1 A 7 7 SER CB C 7 64.084 64.237 -0.153 1
1 38 . 10 1 1 A 7 7 SER N N 7 115.046 116.451 -1.405 1
1 39 . 10 1 1 A 8 8 LEU H H 8 8.410 8.920 -0.510 1
1 40 . 10 1 1 A 8 8 LEU HA H 8 4.297 4.218 0.079 1
1 41 . 10 1 1 A 8 8 LEU C C 8 175.818 177.923 -2.105 1
1 42 . 10 1 1 A 8 8 LEU CA C 8 58.225 56.743 1.482 1
1 43 . 10 1 1 A 8 8 LEU CB C 8 42.057 41.552 0.505 1
1 44 . 10 1 1 A 8 8 LEU N N 8 124.101 126.829 -2.728 1
1 45 . 10 1 1 A 9 9 LEU H H 9 8.007 7.727 0.280 1
1 46 . 10 1 1 A 9 9 LEU HA H 9 4.245 4.249 -0.004 1
1 47 . 10 1 1 A 9 9 LEU C C 9 178.573 179.025 -0.452 1
1 48 . 10 1 1 A 9 9 LEU CA C 9 57.976 55.777 2.199 1
1 49 . 10 1 1 A 9 9 LEU CB C 9 41.475 41.859 -0.384 1
1 50 . 10 1 1 A 9 9 LEU N N 9 117.546 118.775 -1.229 1
1 51 . 10 1 1 A 10 10 SER H H 10 7.979 8.454 -0.475 1
1 52 . 10 1 1 A 10 10 SER HA H 10 4.320 4.126 0.194 1
1 53 . 10 1 1 A 10 10 SER C C 10 178.812 176.761 2.051 1
1 54 . 10 1 1 A 10 10 SER CA C 10 61.538 61.073 0.465 1
1 55 . 10 1 1 A 10 10 SER CB C 10 62.776 62.271 0.505 1
1 56 . 10 1 1 A 10 10 SER N N 10 114.105 114.711 -0.606 1
1 57 . 10 1 1 A 11 11 PHE H H 11 8.046 8.213 -0.167 1
1 58 . 10 1 1 A 11 11 PHE HA H 11 4.439 4.323 0.116 1
1 59 . 10 1 1 A 11 11 PHE C C 11 177.370 178.222 -0.852 1
1 60 . 10 1 1 A 11 11 PHE CA C 11 60.823 60.990 -0.167 1
1 61 . 10 1 1 A 11 11 PHE CB C 11 39.190 39.096 0.094 1
1 62 . 10 1 1 A 11 11 PHE N N 11 122.342 119.359 2.983 1
1 63 . 10 1 1 A 12 12 MET H H 12 8.260 8.208 0.052 1
1 64 . 10 1 1 A 12 12 MET HA H 12 4.303 4.151 0.152 1
1 65 . 10 1 1 A 12 12 MET C C 12 177.760 178.644 -0.884 1
1 66 . 10 1 1 A 12 12 MET CA C 12 58.034 58.834 -0.800 1
1 67 . 10 1 1 A 12 12 MET CB C 12 32.703 32.837 -0.134 1
1 68 . 10 1 1 A 12 12 MET N N 12 118.124 117.531 0.593 1
1 69 . 10 1 1 A 13 13 GLN H H 13 8.371 8.460 -0.089 1
1 70 . 10 1 1 A 13 13 GLN HA H 13 4.082 4.012 0.070 1
1 71 . 10 1 1 A 13 13 GLN C C 13 177.866 178.600 -0.734 1
1 72 . 10 1 1 A 13 13 GLN CA C 13 59.149 59.504 -0.355 1
1 73 . 10 1 1 A 13 13 GLN CB C 13 28.792 28.686 0.106 1
1 74 . 10 1 1 A 13 13 GLN N N 13 118.154 119.506 -1.352 1
1 75 . 10 1 1 A 14 14 GLY H H 14 8.029 8.150 -0.121 1
1 76 . 10 1 1 A 14 14 GLY HA2 H 14 3.916 3.455 0.461 1
1 77 . 10 1 1 A 14 14 GLY C C 14 178.079 174.963 3.116 1
1 78 . 10 1 1 A 14 14 GLY CA C 14 46.795 46.983 -0.188 1
1 79 . 10 1 1 A 14 14 GLY N N 14 106.304 106.720 -0.416 1
1 80 . 10 1 1 A 15 15 TYR H H 15 7.950 8.232 -0.282 1
1 81 . 10 1 1 A 15 15 TYR HA H 15 4.307 4.031 0.276 1
1 82 . 10 1 1 A 15 15 TYR C C 15 175.811 177.369 -1.558 1
1 83 . 10 1 1 A 15 15 TYR CA C 15 61.112 61.501 -0.389 1
1 84 . 10 1 1 A 15 15 TYR CB C 15 39.251 38.673 0.578 1
1 85 . 10 1 1 A 15 15 TYR N N 15 121.528 123.406 -1.878 1
1 86 . 10 1 1 A 16 16 MET H H 16 8.199 8.069 0.130 1
1 87 . 10 1 1 A 16 16 MET HA H 16 4.307 3.966 0.341 1
1 88 . 10 1 1 A 16 16 MET C C 16 177.685 178.356 -0.671 1
1 89 . 10 1 1 A 16 16 MET CA C 16 57.476 58.870 -1.394 1
1 90 . 10 1 1 A 16 16 MET CB C 16 32.342 32.051 0.291 1
1 91 . 10 1 1 A 16 16 MET N N 16 117.173 117.361 -0.188 1
1 92 . 10 1 1 A 17 17 LYS H H 17 7.924 7.909 0.015 1
1 93 . 10 1 1 A 17 17 LYS HA H 17 4.190 4.063 0.127 1
1 94 . 10 1 1 A 17 17 LYS C C 17 177.849 179.069 -1.220 1
1 95 . 10 1 1 A 17 17 LYS CA C 17 58.393 58.965 -0.572 1
1 96 . 10 1 1 A 17 17 LYS CB C 17 32.311 32.123 0.188 1
1 97 . 10 1 1 A 17 17 LYS N N 17 118.640 120.708 -2.068 1
1 98 . 10 1 1 A 18 18 HIS H H 18 7.889 7.962 -0.073 1
1 99 . 10 1 1 A 18 18 HIS HA H 18 4.542 4.317 0.225 1
1 100 . 10 1 1 A 18 18 HIS C C 18 177.796 178.338 -0.542 1
1 101 . 10 1 1 A 18 18 HIS CA C 18 56.698 59.718 -3.020 1
1 102 . 10 1 1 A 18 18 HIS CB C 18 28.505 30.014 -1.509 1
1 103 . 10 1 1 A 18 18 HIS N N 18 116.031 117.336 -1.305 1
1 104 . 10 1 1 A 19 19 ALA H H 19 8.144 8.800 -0.656 1
1 105 . 10 1 1 A 19 19 ALA HA H 19 4.282 3.817 0.465 1
1 106 . 10 1 1 A 19 19 ALA C C 19 178.213 179.911 -1.698 1
1 107 . 10 1 1 A 19 19 ALA CA C 19 54.166 54.623 -0.457 1
1 108 . 10 1 1 A 19 19 ALA CB C 19 19.133 17.908 1.225 1
1 109 . 10 1 1 A 19 19 ALA N N 19 123.402 122.102 1.300 1
1 110 . 10 1 1 A 20 20 THR H H 20 8.186 7.775 0.411 1
1 111 . 10 1 1 A 20 20 THR HA H 20 4.128 4.133 -0.005 1
1 112 . 10 1 1 A 20 20 THR C C 20 178.380 177.275 1.105 1
1 113 . 10 1 1 A 20 20 THR CA C 20 64.460 64.632 -0.172 1
1 114 . 10 1 1 A 20 20 THR CB C 20 69.213 68.791 0.422 1
1 115 . 10 1 1 A 20 20 THR N N 20 111.155 111.648 -0.493 1
1 116 . 10 1 1 A 21 21 LYS H H 21 7.715 8.520 -0.805 1
1 117 . 10 1 1 A 21 21 LYS HA H 21 4.349 4.061 0.288 1
1 118 . 10 1 1 A 21 21 LYS C C 21 175.517 179.869 -4.352 1
1 119 . 10 1 1 A 21 21 LYS CA C 21 58.000 59.298 -1.298 1
1 120 . 10 1 1 A 21 21 LYS CB C 21 32.848 32.372 0.476 1
1 121 . 10 1 1 A 21 21 LYS N N 21 121.662 122.711 -1.049 1
1 122 . 10 1 1 A 22 22 THR H H 22 8.000 7.709 0.291 1
1 123 . 10 1 1 A 22 22 THR HA H 22 4.297 3.986 0.311 1
1 124 . 10 1 1 A 22 22 THR C C 22 177.240 176.308 0.932 1
1 125 . 10 1 1 A 22 22 THR CA C 22 64.040 65.482 -1.442 1
1 126 . 10 1 1 A 22 22 THR CB C 22 69.733 68.235 1.498 1
1 127 . 10 1 1 A 22 22 THR N N 22 113.812 117.840 -4.028 1
1 128 . 10 1 1 A 23 23 ALA H H 23 8.412 7.682 0.730 1
1 129 . 10 1 1 A 23 23 ALA HA H 23 4.122 4.033 0.089 1
1 130 . 10 1 1 A 23 23 ALA C C 23 175.964 179.956 -3.992 1
1 131 . 10 1 1 A 23 23 ALA CA C 23 55.316 55.511 -0.195 1
1 132 . 10 1 1 A 23 23 ALA CB C 23 18.618 18.386 0.232 1
1 133 . 10 1 1 A 23 23 ALA N N 23 123.778 123.748 0.030 1
1 134 . 10 1 1 A 24 24 LYS H H 24 8.205 7.787 0.418 1
1 135 . 10 1 1 A 24 24 LYS HA H 24 3.975 3.987 -0.012 1
1 136 . 10 1 1 A 24 24 LYS C C 24 178.579 178.521 0.058 1
1 137 . 10 1 1 A 24 24 LYS CA C 24 59.821 59.363 0.458 1
1 138 . 10 1 1 A 24 24 LYS CB C 24 32.287 32.133 0.154 1
1 139 . 10 1 1 A 24 24 LYS N N 24 116.572 117.388 -0.816 1
1 140 . 10 1 1 A 25 25 ASP H H 25 8.162 8.411 -0.249 1
1 141 . 10 1 1 A 25 25 ASP HA H 25 4.633 4.314 0.319 1
1 142 . 10 1 1 A 25 25 ASP C C 25 178.849 178.963 -0.114 1
1 143 . 10 1 1 A 25 25 ASP CA C 25 56.667 57.401 -0.734 1
1 144 . 10 1 1 A 25 25 ASP CB C 25 39.431 40.206 -0.775 1
1 145 . 10 1 1 A 25 25 ASP N N 25 119.217 119.016 0.201 1
1 146 . 10 1 1 A 26 26 ALA H H 26 8.144 8.221 -0.077 1
1 147 . 10 1 1 A 26 26 ALA HA H 26 4.297 4.096 0.201 1
1 148 . 10 1 1 A 26 26 ALA C C 26 175.378 180.024 -4.646 1
1 149 . 10 1 1 A 26 26 ALA CA C 26 54.877 54.941 -0.064 1
1 150 . 10 1 1 A 26 26 ALA CB C 26 18.648 18.093 0.555 1
1 151 . 10 1 1 A 26 26 ALA N N 26 123.402 122.776 0.626 1
1 152 . 10 1 1 A 27 27 LEU H H 27 8.203 9.844 -1.641 1
1 153 . 10 1 1 A 27 27 LEU HA H 27 4.149 3.902 0.247 1
1 154 . 10 1 1 A 27 27 LEU C C 27 179.408 178.999 0.409 1
1 155 . 10 1 1 A 27 27 LEU CA C 27 57.457 58.088 -0.631 1
1 156 . 10 1 1 A 27 27 LEU CB C 27 41.794 41.204 0.590 1
1 157 . 10 1 1 A 27 27 LEU N N 27 117.567 119.450 -1.883 1
1 158 . 10 1 1 A 28 28 SER H H 28 8.010 8.334 -0.324 1
1 159 . 10 1 1 A 28 28 SER HA H 28 4.348 4.179 0.169 1
1 160 . 10 1 1 A 28 28 SER C C 28 178.515 177.105 1.410 1
1 161 . 10 1 1 A 28 28 SER CA C 28 61.275 61.075 0.200 1
1 162 . 10 1 1 A 28 28 SER CB C 28 63.339 63.276 0.063 1
1 163 . 10 1 1 A 28 28 SER N N 28 113.313 114.707 -1.394 1
1 164 . 10 1 1 A 29 29 SER H H 29 7.899 7.492 0.407 1
1 165 . 10 1 1 A 29 29 SER HA H 29 4.483 4.399 0.084 1
1 166 . 10 1 1 A 29 29 SER C C 29 176.227 175.813 0.414 1
1 167 . 10 1 1 A 29 29 SER CA C 29 60.684 59.624 1.060 1
1 168 . 10 1 1 A 29 29 SER CB C 29 63.720 62.679 1.041 1
1 169 . 10 1 1 A 29 29 SER N N 29 116.193 115.631 0.562 1
1 170 . 10 1 1 A 30 30 VAL H H 30 7.832 7.996 -0.164 1
1 171 . 10 1 1 A 30 30 VAL HA H 30 4.131 3.858 0.273 1
1 172 . 10 1 1 A 30 30 VAL C C 30 175.982 176.974 -0.992 1
1 173 . 10 1 1 A 30 30 VAL CA C 30 64.518 64.401 0.117 1
1 174 . 10 1 1 A 30 30 VAL CB C 30 32.102 31.525 0.577 1
1 175 . 10 1 1 A 30 30 VAL N N 30 120.035 119.414 0.621 1
1 176 . 10 1 1 A 31 31 GLN H H 31 8.252 8.163 0.089 1
1 177 . 10 1 1 A 31 31 GLN HA H 31 4.222 4.033 0.189 1
1 178 . 10 1 1 A 31 31 GLN C C 31 177.403 178.422 -1.019 1
1 179 . 10 1 1 A 31 31 GLN CA C 31 57.904 58.264 -0.360 1
1 180 . 10 1 1 A 31 31 GLN CB C 31 29.119 28.696 0.423 1
1 181 . 10 1 1 A 31 31 GLN N N 31 120.710 121.613 -0.903 1
1 182 . 10 1 1 A 32 32 GLU H H 32 8.049 8.174 -0.125 1
1 183 . 10 1 1 A 32 32 GLU HA H 32 4.320 4.139 0.181 1
1 184 . 10 1 1 A 32 32 GLU C C 32 176.734 178.590 -1.856 1
1 185 . 10 1 1 A 32 32 GLU CA C 32 57.116 58.154 -1.038 1
1 186 . 10 1 1 A 32 32 GLU CB C 32 28.505 29.775 -1.270 1
1 187 . 10 1 1 A 32 32 GLU N N 32 117.872 119.459 -1.587 1
1 188 . 10 1 1 A 33 33 SER H H 33 7.973 9.458 -1.485 1
1 189 . 10 1 1 A 33 33 SER HA H 33 4.454 4.120 0.334 1
1 190 . 10 1 1 A 33 33 SER C C 33 176.505 176.874 -0.369 1
1 191 . 10 1 1 A 33 33 SER CA C 33 59.379 60.835 -1.456 1
1 192 . 10 1 1 A 33 33 SER CB C 33 64.359 63.077 1.282 1
1 193 . 10 1 1 A 33 33 SER N N 33 115.021 115.388 -0.367 1
1 194 . 10 1 1 A 34 34 GLN H H 34 8.379 7.794 0.585 1
1 195 . 10 1 1 A 34 34 GLN HA H 34 4.249 4.210 0.039 1
1 196 . 10 1 1 A 34 34 GLN C C 34 175.446 178.369 -2.923 1
1 197 . 10 1 1 A 34 34 GLN CA C 34 58.287 58.206 0.081 1
1 198 . 10 1 1 A 34 34 GLN CB C 34 28.507 29.015 -0.508 1
1 199 . 10 1 1 A 34 34 GLN N N 34 121.821 121.091 0.730 1
1 200 . 10 1 1 A 35 35 VAL H H 35 7.885 7.983 -0.098 1
1 201 . 10 1 1 A 35 35 VAL HA H 35 3.890 3.869 0.021 1
1 202 . 10 1 1 A 35 35 VAL C C 35 178.220 177.556 0.664 1
1 203 . 10 1 1 A 35 35 VAL CA C 35 65.572 64.505 1.067 1
1 204 . 10 1 1 A 35 35 VAL CB C 35 31.809 31.330 0.479 1
1 205 . 10 1 1 A 35 35 VAL N N 35 118.193 117.695 0.498 1
1 206 . 10 1 1 A 36 36 ALA H H 36 7.941 8.147 -0.206 1
1 207 . 10 1 1 A 36 36 ALA HA H 36 4.017 4.008 0.009 1
1 208 . 10 1 1 A 36 36 ALA C C 36 175.366 179.817 -4.451 1
1 209 . 10 1 1 A 36 36 ALA CA C 36 55.299 55.521 -0.222 1
1 210 . 10 1 1 A 36 36 ALA CB C 36 18.710 18.625 0.085 1
1 211 . 10 1 1 A 36 36 ALA N N 36 121.942 125.523 -3.581 1
1 212 . 10 1 1 A 37 37 GLN H H 37 7.771 7.825 -0.054 1
1 213 . 10 1 1 A 37 37 GLN HA H 37 4.072 4.092 -0.020 1
1 214 . 10 1 1 A 37 37 GLN C C 37 179.036 178.012 1.024 1
1 215 . 10 1 1 A 37 37 GLN CA C 37 58.656 58.651 0.005 1
1 216 . 10 1 1 A 37 37 GLN CB C 37 28.583 28.372 0.211 1
1 217 . 10 1 1 A 37 37 GLN N N 37 115.154 116.577 -1.423 1
1 218 . 10 1 1 A 38 38 GLN H H 38 8.057 8.033 0.024 1
1 219 . 10 1 1 A 38 38 GLN HA H 38 4.161 4.033 0.128 1
1 220 . 10 1 1 A 38 38 GLN C C 38 178.965 177.629 1.336 1
1 221 . 10 1 1 A 38 38 GLN CA C 38 57.879 58.730 -0.851 1
1 222 . 10 1 1 A 38 38 GLN CB C 38 28.936 28.947 -0.011 1
1 223 . 10 1 1 A 38 38 GLN N N 38 119.273 119.367 -0.094 1
1 224 . 10 1 1 A 39 39 ALA H H 39 8.226 8.466 -0.240 1
1 225 . 10 1 1 A 39 39 ALA HA H 39 3.878 4.192 -0.314 1
1 226 . 10 1 1 A 39 39 ALA C C 39 178.002 179.967 -1.965 1
1 227 . 10 1 1 A 39 39 ALA CA C 39 54.780 55.134 -0.354 1
1 228 . 10 1 1 A 39 39 ALA CB C 39 18.626 18.588 0.038 1
1 229 . 10 1 1 A 39 39 ALA N N 39 121.849 121.210 0.639 1
1 230 . 10 1 1 A 40 40 ARG H H 40 8.078 8.977 -0.899 1
1 231 . 10 1 1 A 40 40 ARG HA H 40 4.519 4.007 0.512 1
1 232 . 10 1 1 A 40 40 ARG C C 40 178.581 179.415 -0.834 1
1 233 . 10 1 1 A 40 40 ARG CA C 40 59.438 58.730 0.708 1
1 234 . 10 1 1 A 40 40 ARG CB C 40 30.064 29.972 0.092 1
1 235 . 10 1 1 A 40 40 ARG N N 40 116.166 116.970 -0.804 1
1 236 . 10 1 1 A 41 41 GLY H H 41 7.962 9.177 -1.215 1
1 237 . 10 1 1 A 41 41 GLY HA2 H 41 3.965 3.676 0.289 1
1 238 . 10 1 1 A 41 41 GLY C C 41 178.678 175.880 2.798 1
1 239 . 10 1 1 A 41 41 GLY CA C 41 46.734 47.265 -0.531 1
1 240 . 10 1 1 A 41 41 GLY N N 41 106.758 108.112 -1.354 1
1 241 . 10 1 1 A 42 42 TRP H H 42 7.941 7.867 0.074 1
1 242 . 10 1 1 A 42 42 TRP HA H 42 4.027 4.319 -0.292 1
1 243 . 10 1 1 A 42 42 TRP C C 42 176.967 178.464 -1.497 1
1 244 . 10 1 1 A 42 42 TRP CA C 42 59.749 60.485 -0.736 1
1 245 . 10 1 1 A 42 42 TRP CB C 42 29.555 29.553 0.002 1
1 246 . 10 1 1 A 42 42 TRP N N 42 121.942 123.143 -1.201 1
1 247 . 10 1 1 A 43 43 VAL H H 43 8.025 7.904 0.121 1
1 248 . 10 1 1 A 43 43 VAL HA H 43 3.848 3.890 -0.042 1
1 249 . 10 1 1 A 43 43 VAL C C 43 178.333 178.305 0.028 1
1 250 . 10 1 1 A 43 43 VAL CA C 43 65.233 65.756 -0.523 1
1 251 . 10 1 1 A 43 43 VAL CB C 43 32.013 31.372 0.641 1
1 252 . 10 1 1 A 43 43 VAL N N 43 116.325 118.969 -2.644 1
1 253 . 10 1 1 A 44 44 THR H H 44 7.969 8.615 -0.646 1
1 254 . 10 1 1 A 44 44 THR HA H 44 4.239 3.882 0.357 1
1 255 . 10 1 1 A 44 44 THR C C 44 177.224 175.479 1.745 1
1 256 . 10 1 1 A 44 44 THR CA C 44 65.189 67.075 -1.886 1
1 257 . 10 1 1 A 44 44 THR CB C 44 69.255 68.402 0.853 1
1 258 . 10 1 1 A 44 44 THR N N 44 113.656 117.036 -3.380 1
1 259 . 10 1 1 A 45 45 ASP H H 45 8.195 7.309 0.886 1
1 260 . 10 1 1 A 45 45 ASP HA H 45 4.759 4.768 -0.009 1
1 261 . 10 1 1 A 45 45 ASP C C 45 176.240 176.277 -0.037 1
1 262 . 10 1 1 A 45 45 ASP CA C 45 55.102 54.006 1.096 1
1 263 . 10 1 1 A 45 45 ASP CB C 45 39.325 40.991 -1.666 1
1 264 . 10 1 1 A 45 45 ASP N N 45 120.741 118.148 2.593 1
1 265 . 10 1 1 A 46 46 GLY H H 46 8.193 8.063 0.130 1
1 266 . 10 1 1 A 46 46 GLY HA2 H 46 3.809 4.037 -0.228 1
1 267 . 10 1 1 A 46 46 GLY C C 46 177.272 175.570 1.702 1
1 268 . 10 1 1 A 46 46 GLY CA C 46 46.513 46.988 -0.475 1
1 269 . 10 1 1 A 46 46 GLY N N 46 108.690 108.301 0.389 1
1 270 . 10 1 1 A 47 47 PHE H H 47 8.371 8.327 0.044 1
1 271 . 10 1 1 A 47 47 PHE HA H 47 4.448 4.307 0.141 1
1 272 . 10 1 1 A 47 47 PHE C C 47 174.681 177.512 -2.831 1
1 273 . 10 1 1 A 47 47 PHE CA C 47 60.145 60.358 -0.213 1
1 274 . 10 1 1 A 47 47 PHE CB C 47 38.825 37.755 1.070 1
1 275 . 10 1 1 A 47 47 PHE N N 47 119.504 120.441 -0.937 1
1 276 . 10 1 1 A 48 48 SER H H 48 8.160 7.775 0.385 1
1 277 . 10 1 1 A 48 48 SER HA H 48 4.195 3.374 0.821 1
1 278 . 10 1 1 A 48 48 SER C C 48 177.055 176.350 0.705 1
1 279 . 10 1 1 A 48 48 SER CA C 48 61.834 61.574 0.260 1
1 280 . 10 1 1 A 48 48 SER CB C 48 63.181 62.958 0.223 1
1 281 . 10 1 1 A 48 48 SER N N 48 113.986 116.935 -2.949 1
1 282 . 10 1 1 A 49 49 SER H H 49 8.050 8.186 -0.136 1
1 283 . 10 1 1 A 49 49 SER HA H 49 4.454 4.288 0.166 1
1 284 . 10 1 1 A 49 49 SER C C 49 176.526 175.657 0.869 1
1 285 . 10 1 1 A 49 49 SER CA C 49 61.217 61.399 -0.182 1
1 286 . 10 1 1 A 49 49 SER CB C 49 63.302 62.896 0.406 1
1 287 . 10 1 1 A 49 49 SER N N 49 116.779 117.978 -1.199 1
1 288 . 10 1 1 A 50 50 LEU H H 50 8.003 8.121 -0.118 1
1 289 . 10 1 1 A 50 50 LEU HA H 50 4.293 4.141 0.152 1
1 290 . 10 1 1 A 50 50 LEU C C 50 175.754 179.044 -3.290 1
1 291 . 10 1 1 A 50 50 LEU CA C 50 58.134 56.793 1.341 1
1 292 . 10 1 1 A 50 50 LEU CB C 50 41.976 41.669 0.307 1
1 293 . 10 1 1 A 50 50 LEU N N 50 122.176 120.189 1.987 1
1 294 . 10 1 1 A 51 51 LYS H H 51 8.091 8.873 -0.782 1
1 295 . 10 1 1 A 51 51 LYS HA H 51 4.072 3.936 0.136 1
1 296 . 10 1 1 A 51 51 LYS C C 51 178.459 178.296 0.163 1
1 297 . 10 1 1 A 51 51 LYS CA C 51 60.375 59.995 0.380 1
1 298 . 10 1 1 A 51 51 LYS CB C 51 32.156 32.301 -0.145 1
1 299 . 10 1 1 A 51 51 LYS N N 51 117.526 121.068 -3.542 1
1 300 . 10 1 1 A 52 52 ASP H H 52 7.915 7.709 0.206 1
1 301 . 10 1 1 A 52 52 ASP HA H 52 4.594 4.235 0.359 1
1 302 . 10 1 1 A 52 52 ASP C C 52 178.854 178.419 0.435 1
1 303 . 10 1 1 A 52 52 ASP CA C 52 56.696 57.221 -0.525 1
1 304 . 10 1 1 A 52 52 ASP CB C 52 39.194 40.386 -1.192 1
1 305 . 10 1 1 A 52 52 ASP N N 52 119.070 119.364 -0.294 1
1 306 . 10 1 1 A 53 53 TYR H H 53 8.144 7.699 0.445 1
1 307 . 10 1 1 A 53 53 TYR HA H 53 4.630 4.241 0.389 1
1 308 . 10 1 1 A 53 53 TYR C C 53 178.269 178.670 -0.401 1
1 309 . 10 1 1 A 53 53 TYR CA C 53 60.692 60.404 0.288 1
1 310 . 10 1 1 A 53 53 TYR CB C 53 38.569 38.252 0.317 1
1 311 . 10 1 1 A 53 53 TYR N N 53 120.243 118.235 2.008 1
1 312 . 10 1 1 A 54 54 TRP H H 54 8.591 8.978 -0.387 1
1 313 . 10 1 1 A 54 54 TRP HA H 54 4.494 4.226 0.268 1
1 314 . 10 1 1 A 54 54 TRP C C 54 178.007 177.738 0.269 1
1 315 . 10 1 1 A 54 54 TRP CA C 54 59.747 61.385 -1.638 1
1 316 . 10 1 1 A 54 54 TRP CB C 54 30.447 29.986 0.461 1
1 317 . 10 1 1 A 54 54 TRP N N 54 120.624 122.870 -2.246 1
1 318 . 10 1 1 A 55 55 SER H H 55 8.223 9.109 -0.886 1
1 319 . 10 1 1 A 55 55 SER HA H 55 3.906 4.126 -0.220 1
1 320 . 10 1 1 A 55 55 SER C C 55 176.913 176.496 0.417 1
1 321 . 10 1 1 A 55 55 SER CA C 55 62.150 62.296 -0.146 1
1 322 . 10 1 1 A 55 55 SER CB C 55 63.019 63.215 -0.196 1
1 323 . 10 1 1 A 55 55 SER N N 55 112.199 115.266 -3.067 1
1 324 . 10 1 1 A 56 56 THR H H 56 7.689 7.743 -0.054 1
1 325 . 10 1 1 A 56 56 THR HA H 56 4.104 3.851 0.253 1
1 326 . 10 1 1 A 56 56 THR C C 56 176.440 176.143 0.297 1
1 327 . 10 1 1 A 56 56 THR CA C 56 66.346 66.517 -0.171 1
1 328 . 10 1 1 A 56 56 THR CB C 56 68.858 68.560 0.298 1
1 329 . 10 1 1 A 56 56 THR N N 56 117.331 117.742 -0.411 1
1 330 . 10 1 1 A 57 57 VAL H H 57 7.960 8.249 -0.289 1
1 331 . 10 1 1 A 57 57 VAL HA H 57 3.623 3.562 0.061 1
1 332 . 10 1 1 A 57 57 VAL C C 57 176.128 177.822 -1.694 1
1 333 . 10 1 1 A 57 57 VAL CA C 57 66.489 66.791 -0.302 1
1 334 . 10 1 1 A 57 57 VAL CB C 57 31.829 31.545 0.284 1
1 335 . 10 1 1 A 57 57 VAL N N 57 121.777 120.664 1.113 1
1 336 . 10 1 1 A 58 58 LYS H H 58 8.100 7.757 0.343 1
1 337 . 10 1 1 A 58 58 LYS HA H 58 3.554 3.567 -0.013 1
1 338 . 10 1 1 A 58 58 LYS C C 58 177.265 178.197 -0.932 1
1 339 . 10 1 1 A 58 58 LYS CA C 58 60.174 59.601 0.573 1
1 340 . 10 1 1 A 58 58 LYS CB C 58 31.373 31.727 -0.354 1
1 341 . 10 1 1 A 58 58 LYS N N 58 119.262 119.703 -0.441 1
1 342 . 10 1 1 A 59 59 ASP H H 59 7.826 7.660 0.166 1
1 343 . 10 1 1 A 59 59 ASP HA H 59 4.473 4.256 0.217 1
1 344 . 10 1 1 A 59 59 ASP C C 59 178.762 179.010 -0.248 1
1 345 . 10 1 1 A 59 59 ASP CA C 59 56.562 57.620 -1.058 1
1 346 . 10 1 1 A 59 59 ASP CB C 59 39.446 41.856 -2.410 1
1 347 . 10 1 1 A 59 59 ASP N N 59 117.771 119.294 -1.523 1
1 348 . 10 1 1 A 60 60 LYS H H 60 8.052 9.356 -1.304 1
1 349 . 10 1 1 A 60 60 LYS HA H 60 4.141 4.123 0.018 1
1 350 . 10 1 1 A 60 60 LYS C C 60 178.220 179.224 -1.004 1
1 351 . 10 1 1 A 60 60 LYS CA C 60 58.383 58.569 -0.186 1
1 352 . 10 1 1 A 60 60 LYS CB C 60 32.095 32.406 -0.311 1
1 353 . 10 1 1 A 60 60 LYS N N 60 119.850 119.273 0.577 1
1 354 . 10 1 1 A 61 61 PHE H H 61 8.301 8.360 -0.059 1
1 355 . 10 1 1 A 61 61 PHE HA H 61 4.337 4.223 0.114 1
1 356 . 10 1 1 A 61 61 PHE C C 61 178.462 177.883 0.579 1
1 357 . 10 1 1 A 61 61 PHE CA C 61 60.780 61.164 -0.384 1
1 358 . 10 1 1 A 61 61 PHE CB C 61 39.194 39.360 -0.166 1
1 359 . 10 1 1 A 61 61 PHE N N 61 118.056 120.995 -2.939 1
1 360 . 10 1 1 A 62 62 SER H H 62 8.160 8.383 -0.223 1
1 361 . 10 1 1 A 62 62 SER HA H 62 4.229 4.277 -0.048 1
1 362 . 10 1 1 A 62 62 SER C C 62 177.060 176.234 0.826 1
1 363 . 10 1 1 A 62 62 SER CA C 62 61.546 61.645 -0.099 1
1 364 . 10 1 1 A 62 62 SER CB C 62 63.368 63.192 0.176 1
1 365 . 10 1 1 A 62 62 SER N N 62 113.635 115.459 -1.824 1
1 366 . 10 1 1 A 63 63 GLU H H 63 7.847 8.112 -0.265 1
1 367 . 10 1 1 A 63 63 GLU HA H 63 4.200 4.119 0.081 1
1 368 . 10 1 1 A 63 63 GLU C C 63 175.917 179.058 -3.141 1
1 369 . 10 1 1 A 63 63 GLU CA C 63 57.833 59.254 -1.421 1
1 370 . 10 1 1 A 63 63 GLU CB C 63 28.314 28.974 -0.660 1
1 371 . 10 1 1 A 63 63 GLU N N 63 119.485 118.950 0.535 1
1 372 . 10 1 1 A 64 64 PHE H H 64 7.792 8.472 -0.680 1
1 373 . 10 1 1 A 64 64 PHE HA H 64 4.448 4.132 0.316 1
1 374 . 10 1 1 A 64 64 PHE C C 64 177.370 177.540 -0.170 1
1 375 . 10 1 1 A 64 64 PHE CA C 64 59.714 60.451 -0.737 1
1 376 . 10 1 1 A 64 64 PHE CB C 64 39.825 39.230 0.595 1
1 377 . 10 1 1 A 64 64 PHE N N 64 118.506 121.033 -2.527 1
1 378 . 10 1 1 A 65 65 TRP H H 65 7.776 7.829 -0.053 1
1 379 . 10 1 1 A 65 65 TRP HA H 65 4.524 3.998 0.526 1
1 380 . 10 1 1 A 65 65 TRP C C 65 175.868 175.878 -0.010 1
1 381 . 10 1 1 A 65 65 TRP CA C 65 57.472 60.258 -2.786 1
1 382 . 10 1 1 A 65 65 TRP CB C 65 30.031 29.894 0.137 1
1 383 . 10 1 1 A 65 65 TRP N N 65 118.247 120.937 -2.690 1
1 384 . 10 1 1 A 66 66 ASP H H 66 7.832 7.633 0.199 1
1 385 . 10 1 1 A 66 66 ASP HA H 66 4.708 4.660 0.048 1
1 386 . 10 1 1 A 66 66 ASP C C 66 175.345 175.435 -0.090 1
1 387 . 10 1 1 A 66 66 ASP CA C 66 53.378 53.809 -0.431 1
1 388 . 10 1 1 A 66 66 ASP CB C 66 38.672 41.252 -2.580 1
1 389 . 10 1 1 A 66 66 ASP N N 66 119.198 118.064 1.134 1
1 390 . 10 1 1 A 67 67 LEU H H 67 7.877 8.490 -0.613 1
1 391 . 10 1 1 A 67 67 LEU HA H 67 4.346 4.542 -0.196 1
1 392 . 10 1 1 A 67 67 LEU C C 67 175.060 176.165 -1.105 1
1 393 . 10 1 1 A 67 67 LEU CA C 67 55.458 53.883 1.575 1
1 394 . 10 1 1 A 67 67 LEU CB C 67 42.444 42.426 0.018 1
1 395 . 10 1 1 A 67 67 LEU N N 67 121.856 125.482 -3.626 1
1 396 . 10 1 1 A 68 68 ASP H H 68 7.939 8.354 -0.415 1
1 397 . 10 1 1 A 68 68 ASP HA H 68 4.571 4.734 -0.163 1
1 398 . 10 1 1 A 68 68 ASP C C 68 176.528 176.778 -0.250 1
1 399 . 10 1 1 A 68 68 ASP CA C 68 54.086 52.992 1.094 1
1 400 . 10 1 1 A 68 68 ASP CB C 68 40.423 40.308 0.115 1
1 401 . 10 1 1 A 68 68 ASP N N 68 122.966 120.442 2.524 1
1 402 . 10 1 1 A 69 69 PRO CA C 69 62.556 64.284 -1.728 1
1 403 . 10 1 1 A 69 69 PRO CB C 69 32.514 31.959 0.555 1
1 404 . 10 1 1 A 70 70 GLU H H 70 8.627 7.889 0.738 1
1 405 . 10 1 1 A 70 70 GLU HA H 70 4.532 4.796 -0.264 1
1 406 . 10 1 1 A 70 70 GLU C C 70 172.210 174.576 -2.366 1
1 407 . 10 1 1 A 70 70 GLU CA C 70 56.488 54.385 2.103 1
1 408 . 10 1 1 A 70 70 GLU CB C 70 29.544 31.757 -2.213 1
1 409 . 10 1 1 A 70 70 GLU N N 70 120.105 113.597 6.508 1
1 410 . 10 1 1 A 71 71 VAL H H 71 7.826 8.902 -1.076 1
1 411 . 10 1 1 A 71 71 VAL HA H 71 4.210 4.326 -0.116 1
1 412 . 10 1 1 A 71 71 VAL C C 71 175.329 175.384 -0.055 1
1 413 . 10 1 1 A 71 71 VAL CA C 71 61.895 61.893 0.002 1
1 414 . 10 1 1 A 71 71 VAL CB C 71 33.096 30.850 2.246 1
1 415 . 10 1 1 A 71 71 VAL N N 71 119.356 126.300 -6.944 1
1 416 . 10 1 1 A 72 72 ARG H H 72 8.103 8.173 -0.070 1
1 417 . 10 1 1 A 72 72 ARG HA H 72 4.757 4.788 -0.031 1
1 418 . 10 1 1 A 72 72 ARG C C 72 174.732 175.177 -0.445 1
1 419 . 10 1 1 A 72 72 ARG CA C 72 53.719 52.500 1.219 1
1 420 . 10 1 1 A 72 72 ARG CB C 72 30.795 31.720 -0.925 1
1 421 . 10 1 1 A 72 72 ARG N N 72 122.861 127.292 -4.431 1
1 422 . 10 1 1 A 73 73 PRO CA C 73 64.693 64.596 0.097 1
1 423 . 10 1 1 A 73 73 PRO CB C 73 31.605 31.970 -0.365 1
1 424 . 10 1 1 A 74 74 THR H H 74 7.959 7.950 0.009 1
1 425 . 10 1 1 A 74 74 THR HA H 74 4.131 4.082 0.049 1
1 426 . 10 1 1 A 74 74 THR C C 74 176.913 176.756 0.157 1
1 427 . 10 1 1 A 74 74 THR CA C 74 64.309 65.251 -0.942 1
1 428 . 10 1 1 A 74 74 THR CB C 74 69.160 68.678 0.482 1
1 429 . 10 1 1 A 74 74 THR N N 74 110.152 111.733 -1.581 1
1 430 . 10 1 1 A 75 75 SER H H 75 7.997 8.223 -0.226 1
1 431 . 10 1 1 A 75 75 SER HA H 75 4.483 4.041 0.442 1
1 432 . 10 1 1 A 75 75 SER C C 75 176.093 176.302 -0.209 1
1 433 . 10 1 1 A 75 75 SER CA C 75 60.300 62.229 -1.929 1
1 434 . 10 1 1 A 75 75 SER CB C 75 63.327 62.632 0.695 1
1 435 . 10 1 1 A 75 75 SER N N 75 117.147 117.504 -0.357 1
1 436 . 10 1 1 A 76 76 ALA H H 76 8.109 7.854 0.255 1
1 437 . 10 1 1 A 76 76 ALA HA H 76 4.219 4.093 0.126 1
1 438 . 10 1 1 A 76 76 ALA C C 76 175.737 179.981 -4.244 1
1 439 . 10 1 1 A 76 76 ALA CA C 76 54.932 55.275 -0.343 1
1 440 . 10 1 1 A 76 76 ALA CB C 76 18.773 18.525 0.248 1
1 441 . 10 1 1 A 76 76 ALA N N 76 124.803 123.405 1.398 1
1 442 . 10 1 1 A 77 77 VAL H H 77 7.798 7.617 0.181 1
1 443 . 10 1 1 A 77 77 VAL HA H 77 3.682 3.809 -0.127 1
1 444 . 10 1 1 A 77 77 VAL C C 77 178.536 178.116 0.420 1
1 445 . 10 1 1 A 77 77 VAL CA C 77 66.335 65.109 1.226 1
1 446 . 10 1 1 A 77 77 VAL CB C 77 31.744 31.636 0.108 1
1 447 . 10 1 1 A 77 77 VAL N N 77 115.730 115.881 -0.151 1
1 448 . 10 1 1 A 78 78 ALA H H 78 7.832 7.912 -0.080 1
1 449 . 10 1 1 A 78 78 ALA HA H 78 4.115 4.196 -0.081 1
1 450 . 10 1 1 A 78 78 ALA C C 78 177.362 177.551 -0.189 1
1 451 . 10 1 1 A 78 78 ALA CA C 78 54.902 53.659 1.243 1
1 452 . 10 1 1 A 78 78 ALA CB C 78 18.311 18.728 -0.417 1
1 453 . 10 1 1 A 78 78 ALA N N 78 121.924 123.813 -1.889 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 75 1.823 1
2 1 1 1 "RMS(OBS, PRED)" CA 77 1.077 1
3 1 1 1 "RMS(OBS, PRED)" CB 74 0.987 1
4 1 1 1 "RMS(OBS, PRED)" H 75 0.575 1
5 1 1 1 "RMS(OBS, PRED)" HA 75 0.259 1
6 1 1 1 "RMS(OBS, PRED)" N 75 2.408 1
7 1 2 1 "RMS(OBS, PRED)" C 75 1.797 1
8 1 2 1 "RMS(OBS, PRED)" CA 77 1.036 1
9 1 2 1 "RMS(OBS, PRED)" CB 74 0.871 1
10 1 2 1 "RMS(OBS, PRED)" H 75 0.573 1
11 1 2 1 "RMS(OBS, PRED)" HA 75 0.229 1
12 1 2 1 "RMS(OBS, PRED)" N 75 2.019 1
13 1 3 1 "RMS(OBS, PRED)" C 75 1.793 1
14 1 3 1 "RMS(OBS, PRED)" CA 77 1.103 1
15 1 3 1 "RMS(OBS, PRED)" CB 74 0.973 1
16 1 3 1 "RMS(OBS, PRED)" H 75 0.610 1
17 1 3 1 "RMS(OBS, PRED)" HA 75 0.247 1
18 1 3 1 "RMS(OBS, PRED)" N 75 2.284 1
19 1 4 1 "RMS(OBS, PRED)" C 75 1.782 1
20 1 4 1 "RMS(OBS, PRED)" CA 77 0.998 1
21 1 4 1 "RMS(OBS, PRED)" CB 74 0.890 1
22 1 4 1 "RMS(OBS, PRED)" H 75 0.581 1
23 1 4 1 "RMS(OBS, PRED)" HA 75 0.367 1
24 1 4 1 "RMS(OBS, PRED)" N 75 2.103 1
25 1 5 1 "RMS(OBS, PRED)" C 75 1.815 1
26 1 5 1 "RMS(OBS, PRED)" CA 77 1.093 1
27 1 5 1 "RMS(OBS, PRED)" CB 74 0.928 1
28 1 5 1 "RMS(OBS, PRED)" H 75 0.573 1
29 1 5 1 "RMS(OBS, PRED)" HA 75 0.240 1
30 1 5 1 "RMS(OBS, PRED)" N 75 2.369 1
31 1 6 1 "RMS(OBS, PRED)" C 75 1.785 1
32 1 6 1 "RMS(OBS, PRED)" CA 77 1.126 1
33 1 6 1 "RMS(OBS, PRED)" CB 74 0.982 1
34 1 6 1 "RMS(OBS, PRED)" H 75 0.573 1
35 1 6 1 "RMS(OBS, PRED)" HA 75 0.233 1
36 1 6 1 "RMS(OBS, PRED)" N 75 2.372 1
37 1 7 1 "RMS(OBS, PRED)" C 75 1.763 1
38 1 7 1 "RMS(OBS, PRED)" CA 77 1.047 1
39 1 7 1 "RMS(OBS, PRED)" CB 74 0.861 1
40 1 7 1 "RMS(OBS, PRED)" H 75 0.594 1
41 1 7 1 "RMS(OBS, PRED)" HA 75 0.241 1
42 1 7 1 "RMS(OBS, PRED)" N 75 2.314 1
43 1 8 1 "RMS(OBS, PRED)" C 75 1.819 1
44 1 8 1 "RMS(OBS, PRED)" CA 77 0.985 1
45 1 8 1 "RMS(OBS, PRED)" CB 74 0.980 1
46 1 8 1 "RMS(OBS, PRED)" H 75 0.540 1
47 1 8 1 "RMS(OBS, PRED)" HA 75 0.250 1
48 1 8 1 "RMS(OBS, PRED)" N 75 2.270 1
49 1 9 1 "RMS(OBS, PRED)" C 75 1.821 1
50 1 9 1 "RMS(OBS, PRED)" CA 77 1.096 1
51 1 9 1 "RMS(OBS, PRED)" CB 74 0.904 1
52 1 9 1 "RMS(OBS, PRED)" H 75 0.561 1
53 1 9 1 "RMS(OBS, PRED)" HA 75 0.266 1
54 1 9 1 "RMS(OBS, PRED)" N 75 2.464 1
55 1 10 1 "RMS(OBS, PRED)" C 75 1.839 1
56 1 10 1 "RMS(OBS, PRED)" CA 77 1.097 1
57 1 10 1 "RMS(OBS, PRED)" CB 74 0.828 1
58 1 10 1 "RMS(OBS, PRED)" H 75 0.531 1
59 1 10 1 "RMS(OBS, PRED)" HA 75 0.246 1
60 1 10 1 "RMS(OBS, PRED)" N 75 2.331 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 3 . 1 1 A 2 2 GLU H H 2 8.776 8.078 0.698 2
1 4 . 1 1 A 2 2 GLU HA H 2 4.415 4.648 -0.233 2
1 5 . 1 1 A 2 2 GLU C C 2 171.203 174.679 -3.476 2
1 6 . 1 1 A 2 2 GLU CA C 2 56.971 55.746 1.225 2
1 7 . 1 1 A 2 2 GLU CB C 2 29.269 32.662 -3.393 2
1 8 . 1 1 A 2 2 GLU N N 2 121.323 121.619 -0.296 2
1 9 . 1 1 A 3 3 ALA H H 3 8.283 8.659 -0.376 2
1 10 . 1 1 A 3 3 ALA HA H 3 4.317 4.322 -0.005 2
1 11 . 1 1 A 3 3 ALA C C 3 176.007 178.391 -2.384 2
1 12 . 1 1 A 3 3 ALA CA C 3 53.244 52.656 0.588 2
1 13 . 1 1 A 3 3 ALA CB C 3 19.153 18.979 0.175 2
1 14 . 1 1 A 3 3 ALA N N 3 123.378 127.138 -3.760 2
1 15 . 1 1 A 4 4 GLU H H 4 8.109 8.912 -0.803 2
1 16 . 1 1 A 4 4 GLU HA H 4 4.366 4.131 0.235 2
1 17 . 1 1 A 4 4 GLU C C 4 177.975 178.054 -0.079 2
1 18 . 1 1 A 4 4 GLU CA C 4 56.850 58.926 -2.076 2
1 19 . 1 1 A 4 4 GLU CB C 4 29.078 29.467 -0.389 2
1 20 . 1 1 A 4 4 GLU N N 4 118.121 125.200 -7.079 2
1 21 . 1 1 A 5 5 ASP H H 5 8.201 8.087 0.114 2
1 22 . 1 1 A 5 5 ASP HA H 5 4.659 4.450 0.209 2
1 23 . 1 1 A 5 5 ASP C C 5 176.393 177.523 -1.130 2
1 24 . 1 1 A 5 5 ASP CA C 5 54.166 56.982 -2.816 2
1 25 . 1 1 A 5 5 ASP CB C 5 39.422 40.668 -1.246 2
1 26 . 1 1 A 5 5 ASP N N 5 119.089 118.829 0.260 2
1 27 . 1 1 A 6 6 ALA H H 6 8.045 7.286 0.759 2
1 28 . 1 1 A 6 6 ALA HA H 6 4.376 4.242 0.134 2
1 29 . 1 1 A 6 6 ALA C C 6 175.403 177.454 -2.051 2
1 30 . 1 1 A 6 6 ALA CA C 6 53.166 52.858 0.308 2
1 31 . 1 1 A 6 6 ALA CB C 6 19.232 19.169 0.063 2
1 32 . 1 1 A 6 6 ALA N N 6 123.242 122.798 0.444 2
1 33 . 1 1 A 7 7 SER H H 7 8.168 8.791 -0.624 2
1 34 . 1 1 A 7 7 SER HA H 7 4.543 4.671 -0.128 2
1 35 . 1 1 A 7 7 SER C C 7 177.957 175.757 2.200 2
1 36 . 1 1 A 7 7 SER CA C 7 59.090 58.090 1.000 2
1 37 . 1 1 A 7 7 SER CB C 7 64.084 64.590 -0.506 2
1 38 . 1 1 A 7 7 SER N N 7 115.046 117.298 -2.252 2
1 39 . 1 1 A 8 8 LEU H H 8 8.410 8.880 -0.471 2
1 40 . 1 1 A 8 8 LEU HA H 8 4.297 4.190 0.107 2
1 41 . 1 1 A 8 8 LEU C C 8 175.818 177.991 -2.173 2
1 42 . 1 1 A 8 8 LEU CA C 8 58.225 56.828 1.397 2
1 43 . 1 1 A 8 8 LEU CB C 8 42.057 41.637 0.420 2
1 44 . 1 1 A 8 8 LEU N N 8 124.101 124.206 -0.105 2
1 45 . 1 1 A 9 9 LEU H H 9 8.007 7.735 0.272 2
1 46 . 1 1 A 9 9 LEU HA H 9 4.245 4.251 -0.006 2
1 47 . 1 1 A 9 9 LEU C C 9 178.573 178.747 -0.174 2
1 48 . 1 1 A 9 9 LEU CA C 9 57.976 55.845 2.131 2
1 49 . 1 1 A 9 9 LEU CB C 9 41.475 41.833 -0.358 2
1 50 . 1 1 A 9 9 LEU N N 9 117.546 118.999 -1.454 2
1 51 . 1 1 A 10 10 SER H H 10 7.979 8.425 -0.446 2
1 52 . 1 1 A 10 10 SER HA H 10 4.320 4.154 0.166 2
1 53 . 1 1 A 10 10 SER C C 10 178.812 176.680 2.132 2
1 54 . 1 1 A 10 10 SER CA C 10 61.538 61.590 -0.053 2
1 55 . 1 1 A 10 10 SER CB C 10 62.776 62.694 0.082 2
1 56 . 1 1 A 10 10 SER N N 10 114.105 115.208 -1.103 2
1 57 . 1 1 A 11 11 PHE H H 11 8.046 8.399 -0.353 2
1 58 . 1 1 A 11 11 PHE HA H 11 4.439 4.225 0.214 2
1 59 . 1 1 A 11 11 PHE C C 11 177.370 177.726 -0.356 2
1 60 . 1 1 A 11 11 PHE CA C 11 60.823 61.358 -0.535 2
1 61 . 1 1 A 11 11 PHE CB C 11 39.190 39.066 0.124 2
1 62 . 1 1 A 11 11 PHE N N 11 122.342 120.526 1.816 2
1 63 . 1 1 A 12 12 MET H H 12 8.260 8.286 -0.026 2
1 64 . 1 1 A 12 12 MET HA H 12 4.303 4.088 0.215 2
1 65 . 1 1 A 12 12 MET C C 12 177.760 178.437 -0.677 2
1 66 . 1 1 A 12 12 MET CA C 12 58.034 58.692 -0.658 2
1 67 . 1 1 A 12 12 MET CB C 12 32.703 32.672 0.031 2
1 68 . 1 1 A 12 12 MET N N 12 118.124 117.679 0.445 2
1 69 . 1 1 A 13 13 GLN H H 13 8.371 8.392 -0.021 2
1 70 . 1 1 A 13 13 GLN HA H 13 4.082 3.979 0.103 2
1 71 . 1 1 A 13 13 GLN C C 13 177.866 179.090 -1.224 2
1 72 . 1 1 A 13 13 GLN CA C 13 59.149 59.148 0.001 2
1 73 . 1 1 A 13 13 GLN CB C 13 28.792 28.517 0.275 2
1 74 . 1 1 A 13 13 GLN N N 13 118.154 119.066 -0.912 2
1 75 . 1 1 A 14 14 GLY H H 14 8.029 8.206 -0.177 2
1 76 . 1 1 A 14 14 GLY HA2 H 14 3.916 3.645 0.271 2
1 77 . 1 1 A 14 14 GLY C C 14 178.079 175.243 2.836 2
1 78 . 1 1 A 14 14 GLY CA C 14 46.795 47.148 -0.353 2
1 79 . 1 1 A 14 14 GLY N N 14 106.304 108.084 -1.780 2
1 80 . 1 1 A 15 15 TYR H H 15 7.950 8.310 -0.360 2
1 81 . 1 1 A 15 15 TYR HA H 15 4.307 4.037 0.271 2
1 82 . 1 1 A 15 15 TYR C C 15 175.811 177.406 -1.595 2
1 83 . 1 1 A 15 15 TYR CA C 15 61.112 61.496 -0.384 2
1 84 . 1 1 A 15 15 TYR CB C 15 39.251 38.692 0.559 2
1 85 . 1 1 A 15 15 TYR N N 15 121.528 123.521 -1.993 2
1 86 . 1 1 A 16 16 MET H H 16 8.199 8.168 0.031 2
1 87 . 1 1 A 16 16 MET HA H 16 4.307 4.068 0.239 2
1 88 . 1 1 A 16 16 MET C C 16 177.685 178.365 -0.680 2
1 89 . 1 1 A 16 16 MET CA C 16 57.476 58.564 -1.088 2
1 90 . 1 1 A 16 16 MET CB C 16 32.342 31.962 0.380 2
1 91 . 1 1 A 16 16 MET N N 16 117.173 117.221 -0.048 2
1 92 . 1 1 A 17 17 LYS H H 17 7.924 7.714 0.210 2
1 93 . 1 1 A 17 17 LYS HA H 17 4.190 4.038 0.151 2
1 94 . 1 1 A 17 17 LYS C C 17 177.849 178.744 -0.895 2
1 95 . 1 1 A 17 17 LYS CA C 17 58.393 59.059 -0.666 2
1 96 . 1 1 A 17 17 LYS CB C 17 32.311 32.222 0.089 2
1 97 . 1 1 A 17 17 LYS N N 17 118.640 120.290 -1.650 2
1 98 . 1 1 A 18 18 HIS H H 18 7.889 8.533 -0.643 2
1 99 . 1 1 A 18 18 HIS HA H 18 4.542 4.174 0.368 2
1 100 . 1 1 A 18 18 HIS C C 18 177.796 177.400 0.396 2
1 101 . 1 1 A 18 18 HIS CA C 18 56.698 59.378 -2.680 2
1 102 . 1 1 A 18 18 HIS CB C 18 28.505 29.956 -1.451 2
1 103 . 1 1 A 18 18 HIS N N 18 116.031 119.562 -3.531 2
1 104 . 1 1 A 19 19 ALA H H 19 8.144 8.908 -0.764 2
1 105 . 1 1 A 19 19 ALA HA H 19 4.282 3.792 0.490 2
1 106 . 1 1 A 19 19 ALA C C 19 178.213 179.491 -1.278 2
1 107 . 1 1 A 19 19 ALA CA C 19 54.166 54.526 -0.360 2
1 108 . 1 1 A 19 19 ALA CB C 19 19.133 17.995 1.138 2
1 109 . 1 1 A 19 19 ALA N N 19 123.402 120.891 2.511 2
1 110 . 1 1 A 20 20 THR H H 20 8.186 7.398 0.788 2
1 111 . 1 1 A 20 20 THR HA H 20 4.128 3.971 0.157 2
1 112 . 1 1 A 20 20 THR C C 20 178.380 176.496 1.884 2
1 113 . 1 1 A 20 20 THR CA C 20 64.460 65.299 -0.839 2
1 114 . 1 1 A 20 20 THR CB C 20 69.213 68.538 0.675 2
1 115 . 1 1 A 20 20 THR N N 20 111.155 113.489 -2.334 2
1 116 . 1 1 A 21 21 LYS H H 21 7.715 8.400 -0.685 2
1 117 . 1 1 A 21 21 LYS HA H 21 4.349 3.969 0.380 2
1 118 . 1 1 A 21 21 LYS C C 21 175.517 179.575 -4.058 2
1 119 . 1 1 A 21 21 LYS CA C 21 58.000 59.205 -1.205 2
1 120 . 1 1 A 21 21 LYS CB C 21 32.848 32.071 0.777 2
1 121 . 1 1 A 21 21 LYS N N 21 121.662 121.329 0.333 2
1 122 . 1 1 A 22 22 THR H H 22 8.000 7.885 0.115 2
1 123 . 1 1 A 22 22 THR HA H 22 4.297 4.052 0.245 2
1 124 . 1 1 A 22 22 THR C C 22 177.240 176.444 0.796 2
1 125 . 1 1 A 22 22 THR CA C 22 64.040 64.921 -0.881 2
1 126 . 1 1 A 22 22 THR CB C 22 69.733 68.399 1.334 2
1 127 . 1 1 A 22 22 THR N N 22 113.812 115.075 -1.263 2
1 128 . 1 1 A 23 23 ALA H H 23 8.412 7.685 0.727 2
1 129 . 1 1 A 23 23 ALA HA H 23 4.122 4.000 0.122 2
1 130 . 1 1 A 23 23 ALA C C 23 175.964 179.473 -3.509 2
1 131 . 1 1 A 23 23 ALA CA C 23 55.316 55.474 -0.158 2
1 132 . 1 1 A 23 23 ALA CB C 23 18.618 18.334 0.284 2
1 133 . 1 1 A 23 23 ALA N N 23 123.778 124.741 -0.963 2
1 134 . 1 1 A 24 24 LYS H H 24 8.205 7.802 0.403 2
1 135 . 1 1 A 24 24 LYS HA H 24 3.975 3.938 0.037 2
1 136 . 1 1 A 24 24 LYS C C 24 178.579 178.346 0.233 2
1 137 . 1 1 A 24 24 LYS CA C 24 59.821 59.585 0.236 2
1 138 . 1 1 A 24 24 LYS CB C 24 32.287 32.244 0.043 2
1 139 . 1 1 A 24 24 LYS N N 24 116.572 117.990 -1.418 2
1 140 . 1 1 A 25 25 ASP H H 25 8.162 8.373 -0.211 2
1 141 . 1 1 A 25 25 ASP HA H 25 4.633 4.312 0.321 2
1 142 . 1 1 A 25 25 ASP C C 25 178.849 178.856 -0.007 2
1 143 . 1 1 A 25 25 ASP CA C 25 56.667 57.445 -0.778 2
1 144 . 1 1 A 25 25 ASP CB C 25 39.431 40.333 -0.902 2
1 145 . 1 1 A 25 25 ASP N N 25 119.217 118.729 0.488 2
1 146 . 1 1 A 26 26 ALA H H 26 8.144 8.263 -0.119 2
1 147 . 1 1 A 26 26 ALA HA H 26 4.297 4.106 0.191 2
1 148 . 1 1 A 26 26 ALA C C 26 175.378 180.068 -4.690 2
1 149 . 1 1 A 26 26 ALA CA C 26 54.877 54.929 -0.052 2
1 150 . 1 1 A 26 26 ALA CB C 26 18.648 18.075 0.573 2
1 151 . 1 1 A 26 26 ALA N N 26 123.402 122.650 0.752 2
1 152 . 1 1 A 27 27 LEU H H 27 8.203 9.656 -1.453 2
1 153 . 1 1 A 27 27 LEU HA H 27 4.149 3.970 0.179 2
1 154 . 1 1 A 27 27 LEU C C 27 179.408 178.984 0.424 2
1 155 . 1 1 A 27 27 LEU CA C 27 57.457 57.765 -0.308 2
1 156 . 1 1 A 27 27 LEU CB C 27 41.794 41.313 0.481 2
1 157 . 1 1 A 27 27 LEU N N 27 117.567 119.840 -2.273 2
1 158 . 1 1 A 28 28 SER H H 28 8.010 8.491 -0.481 2
1 159 . 1 1 A 28 28 SER HA H 28 4.348 4.245 0.103 2
1 160 . 1 1 A 28 28 SER C C 28 178.515 176.219 2.296 2
1 161 . 1 1 A 28 28 SER CA C 28 61.275 61.679 -0.404 2
1 162 . 1 1 A 28 28 SER CB C 28 63.339 62.894 0.445 2
1 163 . 1 1 A 28 28 SER N N 28 113.313 114.880 -1.567 2
1 164 . 1 1 A 29 29 SER H H 29 7.899 7.947 -0.048 2
1 165 . 1 1 A 29 29 SER HA H 29 4.483 4.409 0.074 2
1 166 . 1 1 A 29 29 SER C C 29 176.227 175.798 0.429 2
1 167 . 1 1 A 29 29 SER CA C 29 60.684 59.982 0.702 2
1 168 . 1 1 A 29 29 SER CB C 29 63.720 63.007 0.713 2
1 169 . 1 1 A 29 29 SER N N 29 116.193 116.221 -0.028 2
1 170 . 1 1 A 30 30 VAL H H 30 7.832 8.067 -0.235 2
1 171 . 1 1 A 30 30 VAL HA H 30 4.131 3.911 0.220 2
1 172 . 1 1 A 30 30 VAL C C 30 175.982 177.171 -1.189 2
1 173 . 1 1 A 30 30 VAL CA C 30 64.518 64.335 0.183 2
1 174 . 1 1 A 30 30 VAL CB C 30 32.102 31.546 0.556 2
1 175 . 1 1 A 30 30 VAL N N 30 120.035 120.349 -0.314 2
1 176 . 1 1 A 31 31 GLN H H 31 8.252 8.175 0.077 2
1 177 . 1 1 A 31 31 GLN HA H 31 4.222 4.040 0.182 2
1 178 . 1 1 A 31 31 GLN C C 31 177.403 177.842 -0.439 2
1 179 . 1 1 A 31 31 GLN CA C 31 57.904 58.424 -0.520 2
1 180 . 1 1 A 31 31 GLN CB C 31 29.119 28.455 0.664 2
1 181 . 1 1 A 31 31 GLN N N 31 120.710 121.492 -0.782 2
1 182 . 1 1 A 32 32 GLU H H 32 8.049 8.133 -0.083 2
1 183 . 1 1 A 32 32 GLU HA H 32 4.320 4.216 0.103 2
1 184 . 1 1 A 32 32 GLU C C 32 176.734 178.525 -1.791 2
1 185 . 1 1 A 32 32 GLU CA C 32 57.116 58.317 -1.201 2
1 186 . 1 1 A 32 32 GLU CB C 32 28.505 29.363 -0.858 2
1 187 . 1 1 A 32 32 GLU N N 32 117.872 119.352 -1.480 2
1 188 . 1 1 A 33 33 SER H H 33 7.973 9.489 -1.516 2
1 189 . 1 1 A 33 33 SER HA H 33 4.454 4.202 0.252 2
1 190 . 1 1 A 33 33 SER C C 33 176.505 176.513 -0.008 2
1 191 . 1 1 A 33 33 SER CA C 33 59.379 61.080 -1.701 2
1 192 . 1 1 A 33 33 SER CB C 33 64.359 63.078 1.281 2
1 193 . 1 1 A 33 33 SER N N 33 115.021 115.678 -0.657 2
1 194 . 1 1 A 34 34 GLN H H 34 8.379 7.901 0.478 2
1 195 . 1 1 A 34 34 GLN HA H 34 4.249 4.103 0.146 2
1 196 . 1 1 A 34 34 GLN C C 34 175.446 178.400 -2.954 2
1 197 . 1 1 A 34 34 GLN CA C 34 58.287 58.306 -0.019 2
1 198 . 1 1 A 34 34 GLN CB C 34 28.507 28.305 0.202 2
1 199 . 1 1 A 34 34 GLN N N 34 121.821 120.360 1.461 2
1 200 . 1 1 A 35 35 VAL H H 35 7.885 7.797 0.088 2
1 201 . 1 1 A 35 35 VAL HA H 35 3.890 3.813 0.077 2
1 202 . 1 1 A 35 35 VAL C C 35 178.220 177.421 0.799 2
1 203 . 1 1 A 35 35 VAL CA C 35 65.572 64.886 0.686 2
1 204 . 1 1 A 35 35 VAL CB C 35 31.809 31.549 0.260 2
1 205 . 1 1 A 35 35 VAL N N 35 118.193 118.977 -0.784 2
1 206 . 1 1 A 36 36 ALA H H 36 7.941 8.022 -0.081 2
1 207 . 1 1 A 36 36 ALA HA H 36 4.017 4.005 0.012 2
1 208 . 1 1 A 36 36 ALA C C 36 175.366 179.930 -4.564 2
1 209 . 1 1 A 36 36 ALA CA C 36 55.299 55.497 -0.198 2
1 210 . 1 1 A 36 36 ALA CB C 36 18.710 18.580 0.130 2
1 211 . 1 1 A 36 36 ALA N N 36 121.942 124.097 -2.155 2
1 212 . 1 1 A 37 37 GLN H H 37 7.771 7.887 -0.116 2
1 213 . 1 1 A 37 37 GLN HA H 37 4.072 3.983 0.089 2
1 214 . 1 1 A 37 37 GLN C C 37 179.036 178.266 0.770 2
1 215 . 1 1 A 37 37 GLN CA C 37 58.656 59.098 -0.442 2
1 216 . 1 1 A 37 37 GLN CB C 37 28.583 28.255 0.328 2
1 217 . 1 1 A 37 37 GLN N N 37 115.154 117.419 -2.265 2
1 218 . 1 1 A 38 38 GLN H H 38 8.057 7.965 0.092 2
1 219 . 1 1 A 38 38 GLN HA H 38 4.161 4.015 0.146 2
1 220 . 1 1 A 38 38 GLN C C 38 178.965 177.760 1.205 2
1 221 . 1 1 A 38 38 GLN CA C 38 57.879 58.727 -0.848 2
1 222 . 1 1 A 38 38 GLN CB C 38 28.936 28.917 0.019 2
1 223 . 1 1 A 38 38 GLN N N 38 119.273 119.240 0.033 2
1 224 . 1 1 A 39 39 ALA H H 39 8.226 8.662 -0.436 2
1 225 . 1 1 A 39 39 ALA HA H 39 3.878 3.979 -0.101 2
1 226 . 1 1 A 39 39 ALA C C 39 178.002 179.806 -1.804 2
1 227 . 1 1 A 39 39 ALA CA C 39 54.780 55.021 -0.241 2
1 228 . 1 1 A 39 39 ALA CB C 39 18.626 18.542 0.084 2
1 229 . 1 1 A 39 39 ALA N N 39 121.849 121.546 0.303 2
1 230 . 1 1 A 40 40 ARG H H 40 8.078 8.845 -0.767 2
1 231 . 1 1 A 40 40 ARG HA H 40 4.519 4.012 0.507 2
1 232 . 1 1 A 40 40 ARG C C 40 178.581 179.118 -0.537 2
1 233 . 1 1 A 40 40 ARG CA C 40 59.438 58.933 0.505 2
1 234 . 1 1 A 40 40 ARG CB C 40 30.064 30.028 0.036 2
1 235 . 1 1 A 40 40 ARG N N 40 116.166 117.776 -1.610 2
1 236 . 1 1 A 41 41 GLY H H 41 7.962 9.100 -1.138 2
1 237 . 1 1 A 41 41 GLY HA2 H 41 3.965 3.551 0.413 2
1 238 . 1 1 A 41 41 GLY C C 41 178.678 175.944 2.734 2
1 239 . 1 1 A 41 41 GLY CA C 41 46.734 47.220 -0.486 2
1 240 . 1 1 A 41 41 GLY N N 41 106.758 107.518 -0.760 2
1 241 . 1 1 A 42 42 TRP H H 42 7.941 7.600 0.341 2
1 242 . 1 1 A 42 42 TRP HA H 42 4.027 4.623 -0.596 2
1 243 . 1 1 A 42 42 TRP C C 42 176.967 178.756 -1.788 2
1 244 . 1 1 A 42 42 TRP CA C 42 59.749 59.936 -0.187 2
1 245 . 1 1 A 42 42 TRP CB C 42 29.555 29.279 0.276 2
1 246 . 1 1 A 42 42 TRP N N 42 121.942 122.522 -0.580 2
1 247 . 1 1 A 43 43 VAL H H 43 8.025 7.967 0.058 2
1 248 . 1 1 A 43 43 VAL HA H 43 3.848 3.794 0.054 2
1 249 . 1 1 A 43 43 VAL C C 43 178.333 178.088 0.245 2
1 250 . 1 1 A 43 43 VAL CA C 43 65.233 66.048 -0.815 2
1 251 . 1 1 A 43 43 VAL CB C 43 32.013 31.466 0.547 2
1 252 . 1 1 A 43 43 VAL N N 43 116.325 119.729 -3.404 2
1 253 . 1 1 A 44 44 THR H H 44 7.969 8.349 -0.380 2
1 254 . 1 1 A 44 44 THR HA H 44 4.239 4.027 0.212 2
1 255 . 1 1 A 44 44 THR C C 44 177.224 175.929 1.295 2
1 256 . 1 1 A 44 44 THR CA C 44 65.189 66.279 -1.090 2
1 257 . 1 1 A 44 44 THR CB C 44 69.255 68.472 0.783 2
1 258 . 1 1 A 44 44 THR N N 44 113.656 114.262 -0.606 2
1 259 . 1 1 A 45 45 ASP H H 45 8.195 7.575 0.620 2
1 260 . 1 1 A 45 45 ASP HA H 45 4.759 4.725 0.034 2
1 261 . 1 1 A 45 45 ASP C C 45 176.240 176.256 -0.016 2
1 262 . 1 1 A 45 45 ASP CA C 45 55.102 53.980 1.122 2
1 263 . 1 1 A 45 45 ASP CB C 45 39.325 40.913 -1.588 2
1 264 . 1 1 A 45 45 ASP N N 45 120.741 119.297 1.444 2
1 265 . 1 1 A 46 46 GLY H H 46 8.193 8.023 0.170 2
1 266 . 1 1 A 46 46 GLY HA2 H 46 3.809 3.998 -0.189 2
1 267 . 1 1 A 46 46 GLY C C 46 177.272 175.418 1.854 2
1 268 . 1 1 A 46 46 GLY CA C 46 46.513 46.952 -0.439 2
1 269 . 1 1 A 46 46 GLY N N 46 108.690 108.211 0.479 2
1 270 . 1 1 A 47 47 PHE H H 47 8.371 8.206 0.165 2
1 271 . 1 1 A 47 47 PHE HA H 47 4.448 4.308 0.141 2
1 272 . 1 1 A 47 47 PHE C C 47 174.681 177.641 -2.960 2
1 273 . 1 1 A 47 47 PHE CA C 47 60.145 60.713 -0.568 2
1 274 . 1 1 A 47 47 PHE CB C 47 38.825 38.699 0.126 2
1 275 . 1 1 A 47 47 PHE N N 47 119.504 120.569 -1.065 2
1 276 . 1 1 A 48 48 SER H H 48 8.160 8.075 0.085 2
1 277 . 1 1 A 48 48 SER HA H 48 4.195 3.845 0.350 2
1 278 . 1 1 A 48 48 SER C C 48 177.055 176.570 0.485 2
1 279 . 1 1 A 48 48 SER CA C 48 61.834 61.682 0.152 2
1 280 . 1 1 A 48 48 SER CB C 48 63.181 63.005 0.176 2
1 281 . 1 1 A 48 48 SER N N 48 113.986 116.198 -2.212 2
1 282 . 1 1 A 49 49 SER H H 49 8.050 8.340 -0.290 2
1 283 . 1 1 A 49 49 SER HA H 49 4.454 4.290 0.164 2
1 284 . 1 1 A 49 49 SER C C 49 176.526 176.149 0.377 2
1 285 . 1 1 A 49 49 SER CA C 49 61.217 61.064 0.153 2
1 286 . 1 1 A 49 49 SER CB C 49 63.302 62.893 0.409 2
1 287 . 1 1 A 49 49 SER N N 49 116.779 116.809 -0.030 2
1 288 . 1 1 A 50 50 LEU H H 50 8.003 7.998 0.005 2
1 289 . 1 1 A 50 50 LEU HA H 50 4.293 4.084 0.209 2
1 290 . 1 1 A 50 50 LEU C C 50 175.754 178.901 -3.147 2
1 291 . 1 1 A 50 50 LEU CA C 50 58.134 56.879 1.256 2
1 292 . 1 1 A 50 50 LEU CB C 50 41.976 41.558 0.418 2
1 293 . 1 1 A 50 50 LEU N N 50 122.176 120.964 1.212 2
1 294 . 1 1 A 51 51 LYS H H 51 8.091 8.880 -0.789 2
1 295 . 1 1 A 51 51 LYS HA H 51 4.072 4.025 0.047 2
1 296 . 1 1 A 51 51 LYS C C 51 178.459 178.421 0.038 2
1 297 . 1 1 A 51 51 LYS CA C 51 60.375 60.067 0.308 2
1 298 . 1 1 A 51 51 LYS CB C 51 32.156 32.246 -0.090 2
1 299 . 1 1 A 51 51 LYS N N 51 117.526 120.662 -3.136 2
1 300 . 1 1 A 52 52 ASP H H 52 7.915 8.043 -0.128 2
1 301 . 1 1 A 52 52 ASP HA H 52 4.594 4.350 0.244 2
1 302 . 1 1 A 52 52 ASP C C 52 178.854 178.259 0.595 2
1 303 . 1 1 A 52 52 ASP CA C 52 56.696 57.217 -0.521 2
1 304 . 1 1 A 52 52 ASP CB C 52 39.194 40.734 -1.540 2
1 305 . 1 1 A 52 52 ASP N N 52 119.070 119.166 -0.096 2
1 306 . 1 1 A 53 53 TYR H H 53 8.144 7.792 0.352 2
1 307 . 1 1 A 53 53 TYR HA H 53 4.630 4.356 0.275 2
1 308 . 1 1 A 53 53 TYR C C 53 178.269 178.063 0.206 2
1 309 . 1 1 A 53 53 TYR CA C 53 60.692 60.938 -0.246 2
1 310 . 1 1 A 53 53 TYR CB C 53 38.569 38.328 0.241 2
1 311 . 1 1 A 53 53 TYR N N 53 120.243 119.276 0.967 2
1 312 . 1 1 A 54 54 TRP H H 54 8.591 9.143 -0.552 2
1 313 . 1 1 A 54 54 TRP HA H 54 4.494 4.235 0.259 2
1 314 . 1 1 A 54 54 TRP C C 54 178.007 178.211 -0.204 2
1 315 . 1 1 A 54 54 TRP CA C 54 59.747 61.059 -1.312 2
1 316 . 1 1 A 54 54 TRP CB C 54 30.447 29.576 0.871 2
1 317 . 1 1 A 54 54 TRP N N 54 120.624 121.952 -1.328 2
1 318 . 1 1 A 55 55 SER H H 55 8.223 9.602 -1.379 2
1 319 . 1 1 A 55 55 SER HA H 55 3.906 3.947 -0.041 2
1 320 . 1 1 A 55 55 SER C C 55 176.913 176.431 0.482 2
1 321 . 1 1 A 55 55 SER CA C 55 62.150 61.396 0.754 2
1 322 . 1 1 A 55 55 SER CB C 55 63.019 62.911 0.108 2
1 323 . 1 1 A 55 55 SER N N 55 112.199 114.071 -1.872 2
1 324 . 1 1 A 56 56 THR H H 56 7.689 7.785 -0.096 2
1 325 . 1 1 A 56 56 THR HA H 56 4.104 3.920 0.184 2
1 326 . 1 1 A 56 56 THR C C 56 176.440 176.206 0.234 2
1 327 . 1 1 A 56 56 THR CA C 56 66.346 65.583 0.763 2
1 328 . 1 1 A 56 56 THR CB C 56 68.858 68.612 0.246 2
1 329 . 1 1 A 56 56 THR N N 56 117.331 115.780 1.551 2
1 330 . 1 1 A 57 57 VAL H H 57 7.960 7.979 -0.019 2
1 331 . 1 1 A 57 57 VAL HA H 57 3.623 3.522 0.101 2
1 332 . 1 1 A 57 57 VAL C C 57 176.128 177.798 -1.670 2
1 333 . 1 1 A 57 57 VAL CA C 57 66.489 66.486 0.003 2
1 334 . 1 1 A 57 57 VAL CB C 57 31.829 31.375 0.454 2
1 335 . 1 1 A 57 57 VAL N N 57 121.777 121.124 0.653 2
1 336 . 1 1 A 58 58 LYS H H 58 8.100 7.792 0.308 2
1 337 . 1 1 A 58 58 LYS HA H 58 3.554 3.728 -0.174 2
1 338 . 1 1 A 58 58 LYS C C 58 177.265 178.279 -1.014 2
1 339 . 1 1 A 58 58 LYS CA C 58 60.174 59.715 0.459 2
1 340 . 1 1 A 58 58 LYS CB C 58 31.373 31.894 -0.521 2
1 341 . 1 1 A 58 58 LYS N N 58 119.262 120.268 -1.006 2
1 342 . 1 1 A 59 59 ASP H H 59 7.826 7.915 -0.088 2
1 343 . 1 1 A 59 59 ASP HA H 59 4.473 4.311 0.162 2
1 344 . 1 1 A 59 59 ASP C C 59 178.762 178.861 -0.099 2
1 345 . 1 1 A 59 59 ASP CA C 59 56.562 57.446 -0.884 2
1 346 . 1 1 A 59 59 ASP CB C 59 39.446 41.076 -1.630 2
1 347 . 1 1 A 59 59 ASP N N 59 117.771 119.004 -1.232 2
1 348 . 1 1 A 60 60 LYS H H 60 8.052 9.343 -1.291 2
1 349 . 1 1 A 60 60 LYS HA H 60 4.141 4.168 -0.027 2
1 350 . 1 1 A 60 60 LYS C C 60 178.220 179.178 -0.958 2
1 351 . 1 1 A 60 60 LYS CA C 60 58.383 58.485 -0.102 2
1 352 . 1 1 A 60 60 LYS CB C 60 32.095 32.165 -0.070 2
1 353 . 1 1 A 60 60 LYS N N 60 119.850 119.565 0.285 2
1 354 . 1 1 A 61 61 PHE H H 61 8.301 8.367 -0.066 2
1 355 . 1 1 A 61 61 PHE HA H 61 4.337 4.196 0.141 2
1 356 . 1 1 A 61 61 PHE C C 61 178.462 177.879 0.583 2
1 357 . 1 1 A 61 61 PHE CA C 61 60.780 61.173 -0.393 2
1 358 . 1 1 A 61 61 PHE CB C 61 39.194 39.374 -0.180 2
1 359 . 1 1 A 61 61 PHE N N 61 118.056 121.328 -3.272 2
1 360 . 1 1 A 62 62 SER H H 62 8.160 8.289 -0.129 2
1 361 . 1 1 A 62 62 SER HA H 62 4.229 4.223 0.006 2
1 362 . 1 1 A 62 62 SER C C 62 177.060 176.850 0.210 2
1 363 . 1 1 A 62 62 SER CA C 62 61.546 61.676 -0.130 2
1 364 . 1 1 A 62 62 SER CB C 62 63.368 63.057 0.311 2
1 365 . 1 1 A 62 62 SER N N 62 113.635 114.871 -1.236 2
1 366 . 1 1 A 63 63 GLU H H 63 7.847 8.080 -0.233 2
1 367 . 1 1 A 63 63 GLU HA H 63 4.200 4.175 0.025 2
1 368 . 1 1 A 63 63 GLU C C 63 175.917 179.204 -3.287 2
1 369 . 1 1 A 63 63 GLU CA C 63 57.833 58.916 -1.083 2
1 370 . 1 1 A 63 63 GLU CB C 63 28.314 29.278 -0.964 2
1 371 . 1 1 A 63 63 GLU N N 63 119.485 120.658 -1.173 2
1 372 . 1 1 A 64 64 PHE H H 64 7.792 8.521 -0.729 2
1 373 . 1 1 A 64 64 PHE HA H 64 4.448 4.125 0.323 2
1 374 . 1 1 A 64 64 PHE C C 64 177.370 177.675 -0.305 2
1 375 . 1 1 A 64 64 PHE CA C 64 59.714 60.483 -0.769 2
1 376 . 1 1 A 64 64 PHE CB C 64 39.825 39.299 0.526 2
1 377 . 1 1 A 64 64 PHE N N 64 118.506 121.118 -2.612 2
1 378 . 1 1 A 65 65 TRP H H 65 7.776 7.829 -0.053 2
1 379 . 1 1 A 65 65 TRP HA H 65 4.524 4.033 0.491 2
1 380 . 1 1 A 65 65 TRP C C 65 175.868 175.962 -0.094 2
1 381 . 1 1 A 65 65 TRP CA C 65 57.472 60.248 -2.776 2
1 382 . 1 1 A 65 65 TRP CB C 65 30.031 29.855 0.176 2
1 383 . 1 1 A 65 65 TRP N N 65 118.247 120.868 -2.621 2
1 384 . 1 1 A 66 66 ASP H H 66 7.832 7.598 0.235 2
1 385 . 1 1 A 66 66 ASP HA H 66 4.708 4.595 0.113 2
1 386 . 1 1 A 66 66 ASP C C 66 175.345 175.329 0.016 2
1 387 . 1 1 A 66 66 ASP CA C 66 53.378 53.795 -0.417 2
1 388 . 1 1 A 66 66 ASP CB C 66 38.672 41.482 -2.810 2
1 389 . 1 1 A 66 66 ASP N N 66 119.198 118.054 1.144 2
1 390 . 1 1 A 67 67 LEU H H 67 7.877 8.492 -0.615 2
1 391 . 1 1 A 67 67 LEU HA H 67 4.346 4.595 -0.249 2
1 392 . 1 1 A 67 67 LEU C C 67 175.060 175.928 -0.868 2
1 393 . 1 1 A 67 67 LEU CA C 67 55.458 53.520 1.938 2
1 394 . 1 1 A 67 67 LEU CB C 67 42.444 42.880 -0.436 2
1 395 . 1 1 A 67 67 LEU N N 67 121.856 125.062 -3.207 2
1 396 . 1 1 A 68 68 ASP H H 68 7.939 8.373 -0.434 2
1 397 . 1 1 A 68 68 ASP HA H 68 4.571 4.722 -0.151 2
1 398 . 1 1 A 68 68 ASP C C 68 176.528 176.536 -0.008 2
1 399 . 1 1 A 68 68 ASP CA C 68 54.086 52.890 1.196 2
1 400 . 1 1 A 68 68 ASP CB C 68 40.423 40.346 0.078 2
1 401 . 1 1 A 68 68 ASP N N 68 122.966 120.737 2.229 2
1 402 . 1 1 A 69 69 PRO CA C 69 62.556 64.275 -1.720 2
1 403 . 1 1 A 69 69 PRO CB C 69 32.514 31.966 0.548 2
1 404 . 1 1 A 70 70 GLU H H 70 8.627 7.966 0.661 2
1 405 . 1 1 A 70 70 GLU HA H 70 4.532 4.755 -0.223 2
1 406 . 1 1 A 70 70 GLU C C 70 172.210 174.652 -2.442 2
1 407 . 1 1 A 70 70 GLU CA C 70 56.488 54.954 1.534 2
1 408 . 1 1 A 70 70 GLU CB C 70 29.544 31.701 -2.156 2
1 409 . 1 1 A 70 70 GLU N N 70 120.105 116.932 3.173 2
1 410 . 1 1 A 71 71 VAL H H 71 7.826 8.838 -1.012 2
1 411 . 1 1 A 71 71 VAL HA H 71 4.210 4.428 -0.218 2
1 412 . 1 1 A 71 71 VAL C C 71 175.329 175.087 0.242 2
1 413 . 1 1 A 71 71 VAL CA C 71 61.895 61.483 0.412 2
1 414 . 1 1 A 71 71 VAL CB C 71 33.096 31.600 1.496 2
1 415 . 1 1 A 71 71 VAL N N 71 119.356 125.899 -6.543 2
1 416 . 1 1 A 72 72 ARG H H 72 8.103 8.263 -0.160 2
1 417 . 1 1 A 72 72 ARG HA H 72 4.757 4.771 -0.014 2
1 418 . 1 1 A 72 72 ARG C C 72 174.732 175.454 -0.722 2
1 419 . 1 1 A 72 72 ARG CA C 72 53.719 52.693 1.026 2
1 420 . 1 1 A 72 72 ARG CB C 72 30.795 31.491 -0.696 2
1 421 . 1 1 A 72 72 ARG N N 72 122.861 127.640 -4.779 2
1 422 . 1 1 A 73 73 PRO CA C 73 64.693 64.435 0.258 2
1 423 . 1 1 A 73 73 PRO CB C 73 31.605 31.902 -0.297 2
1 424 . 1 1 A 74 74 THR H H 74 7.959 7.720 0.239 2
1 425 . 1 1 A 74 74 THR HA H 74 4.131 4.038 0.093 2
1 426 . 1 1 A 74 74 THR C C 74 176.913 176.243 0.670 2
1 427 . 1 1 A 74 74 THR CA C 74 64.309 65.309 -1.000 2
1 428 . 1 1 A 74 74 THR CB C 74 69.160 68.848 0.312 2
1 429 . 1 1 A 74 74 THR N N 74 110.152 111.998 -1.846 2
1 430 . 1 1 A 75 75 SER H H 75 7.997 8.253 -0.256 2
1 431 . 1 1 A 75 75 SER HA H 75 4.483 4.062 0.421 2
1 432 . 1 1 A 75 75 SER C C 75 176.093 176.576 -0.483 2
1 433 . 1 1 A 75 75 SER CA C 75 60.300 61.902 -1.602 2
1 434 . 1 1 A 75 75 SER CB C 75 63.327 62.696 0.631 2
1 435 . 1 1 A 75 75 SER N N 75 117.147 116.213 0.934 2
1 436 . 1 1 A 76 76 ALA H H 76 8.109 7.667 0.442 2
1 437 . 1 1 A 76 76 ALA HA H 76 4.219 4.099 0.119 2
1 438 . 1 1 A 76 76 ALA C C 76 175.737 180.053 -4.316 2
1 439 . 1 1 A 76 76 ALA CA C 76 54.932 55.311 -0.379 2
1 440 . 1 1 A 76 76 ALA CB C 76 18.773 18.609 0.164 2
1 441 . 1 1 A 76 76 ALA N N 76 124.803 123.570 1.233 2
1 442 . 1 1 A 77 77 VAL H H 77 7.798 7.968 -0.170 2
1 443 . 1 1 A 77 77 VAL HA H 77 3.682 3.557 0.125 2
1 444 . 1 1 A 77 77 VAL C C 77 178.536 178.183 0.353 2
1 445 . 1 1 A 77 77 VAL CA C 77 66.335 66.260 0.075 2
1 446 . 1 1 A 77 77 VAL CB C 77 31.744 31.627 0.117 2
1 447 . 1 1 A 77 77 VAL N N 77 115.730 117.359 -1.629 2
1 448 . 1 1 A 78 78 ALA H H 78 7.832 8.096 -0.264 2
1 449 . 1 1 A 78 78 ALA HA H 78 4.115 4.179 -0.064 2
1 450 . 1 1 A 78 78 ALA C C 78 177.362 177.669 -0.308 2
1 451 . 1 1 A 78 78 ALA CA C 78 54.902 53.984 0.918 2
1 452 . 1 1 A 78 78 ALA CB C 78 18.311 18.862 -0.551 2
1 453 . 1 1 A 78 78 ALA N N 78 121.924 121.686 0.238 2
stop_
save_