data_10153_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10153
_Entry.PDB_ID 2EOV
_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 20
_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 1 . 1 1 1 A 7 7 GLY CA C 7 45.443 44.441 1.002 1
1 2 . 1 1 1 A 7 7 GLY HA2 H 7 4.001 4.031 -0.030 1
1 3 . 1 1 1 A 7 7 GLY HA3 H 7 4.001 4.038 -0.037 1
1 4 . 1 1 1 A 7 7 GLY C C 7 174.517 172.814 1.703 1
1 5 . 1 1 1 A 8 8 THR N N 8 112.810 115.210 -2.400 1
1 6 . 1 1 1 A 8 8 THR H H 8 8.114 8.153 -0.039 1
1 7 . 1 1 1 A 8 8 THR CA C 8 61.946 60.709 1.237 1
1 8 . 1 1 1 A 8 8 THR HA H 8 4.359 4.864 -0.505 1
1 9 . 1 1 1 A 8 8 THR CB C 8 69.788 71.195 -1.407 1
1 15 . 1 1 1 A 8 8 THR C C 8 175.261 172.979 2.282 1
1 16 . 1 1 1 A 9 9 GLY CA C 9 45.194 44.570 0.624 1
1 17 . 1 1 1 A 9 9 GLY HA2 H 9 3.934 4.159 -0.225 1
1 18 . 1 1 1 A 9 9 GLY HA3 H 9 3.934 4.164 -0.230 1
1 19 . 1 1 1 A 10 10 GLU N N 10 120.417 121.746 -1.329 1
1 20 . 1 1 1 A 10 10 GLU H H 10 8.163 8.524 -0.361 1
1 21 . 1 1 1 A 10 10 GLU CA C 10 56.630 56.825 -0.195 1
1 22 . 1 1 1 A 10 10 GLU HA H 10 4.157 4.294 -0.137 1
1 23 . 1 1 1 A 10 10 GLU CB C 10 30.424 30.306 0.118 1
1 28 . 1 1 1 A 10 10 GLU C C 10 176.283 176.335 -0.052 1
1 29 . 1 1 1 A 11 11 LYS N N 11 122.818 127.705 -4.887 1
1 30 . 1 1 1 A 11 11 LYS H H 11 8.319 8.632 -0.313 1
1 31 . 1 1 1 A 11 11 LYS CA C 11 54.069 54.239 -0.170 1
1 32 . 1 1 1 A 11 11 LYS HA H 11 4.416 4.349 0.067 1
1 33 . 1 1 1 A 11 11 LYS CB C 11 32.659 31.926 0.733 1
1 45 . 1 1 1 A 11 11 LYS C C 11 174.368 176.436 -2.068 1
1 46 . 1 1 1 A 12 12 PRO CA C 12 63.821 63.670 0.151 1
1 47 . 1 1 1 A 12 12 PRO HA H 12 4.190 4.250 -0.060 1
1 48 . 1 1 1 A 12 12 PRO CB C 12 32.246 31.031 1.215 1
1 57 . 1 1 1 A 12 12 PRO C C 12 176.504 175.352 1.152 1
1 58 . 1 1 1 A 13 13 TYR N N 13 117.532 118.849 -1.317 1
1 59 . 1 1 1 A 13 13 TYR H H 13 7.808 7.357 0.451 1
1 60 . 1 1 1 A 13 13 TYR CA C 13 57.460 56.323 1.137 1
1 61 . 1 1 1 A 13 13 TYR HA H 13 4.723 5.380 -0.657 1
1 62 . 1 1 1 A 13 13 TYR CB C 13 38.681 42.947 -4.266 1
1 73 . 1 1 1 A 13 13 TYR C C 13 174.392 174.492 -0.100 1
1 74 . 1 1 1 A 14 14 LYS N N 14 125.155 122.440 2.715 1
1 75 . 1 1 1 A 14 14 LYS H H 14 8.658 8.892 -0.234 1
1 76 . 1 1 1 A 14 14 LYS CA C 14 55.182 55.344 -0.162 1
1 77 . 1 1 1 A 14 14 LYS HA H 14 4.897 4.942 -0.045 1
1 78 . 1 1 1 A 14 14 LYS CB C 14 35.362 36.508 -1.146 1
1 90 . 1 1 1 A 14 14 LYS C C 14 175.434 174.984 0.450 1
1 91 . 1 1 1 A 15 15 CYS N N 15 127.487 125.408 2.079 1
1 92 . 1 1 1 A 15 15 CYS H H 15 9.257 9.179 0.078 1
1 93 . 1 1 1 A 15 15 CYS CA C 15 59.645 59.564 0.081 1
1 94 . 1 1 1 A 15 15 CYS HA H 15 4.552 4.596 -0.044 1
1 95 . 1 1 1 A 15 15 CYS CB C 15 29.714 28.429 1.285 1
1 98 . 1 1 1 A 15 15 CYS C C 15 177.361 175.777 1.584 1
1 99 . 1 1 1 A 16 16 SER CA C 16 61.056 58.028 3.028 1
1 100 . 1 1 1 A 16 16 SER HA H 16 4.265 4.617 -0.352 1
1 101 . 1 1 1 A 16 16 SER CB C 16 63.129 61.810 1.319 1
1 104 . 1 1 1 A 16 16 SER C C 16 174.425 175.060 -0.635 1
1 105 . 1 1 1 A 17 17 ASP N N 17 122.836 122.639 0.197 1
1 106 . 1 1 1 A 17 17 ASP H H 17 8.675 8.334 0.341 1
1 107 . 1 1 1 A 17 17 ASP CA C 17 56.882 55.347 1.535 1
1 108 . 1 1 1 A 17 17 ASP HA H 17 4.573 4.807 -0.234 1
1 109 . 1 1 1 A 17 17 ASP CB C 17 41.393 43.315 -1.922 1
1 112 . 1 1 1 A 17 17 ASP C C 17 176.693 177.337 -0.644 1
1 113 . 1 1 1 A 18 18 CYS N N 18 114.845 114.425 0.420 1
1 114 . 1 1 1 A 18 18 CYS H H 18 7.871 8.247 -0.376 1
1 115 . 1 1 1 A 18 18 CYS CA C 18 58.669 59.782 -1.113 1
1 116 . 1 1 1 A 18 18 CYS HA H 18 5.149 4.649 0.500 1
1 117 . 1 1 1 A 18 18 CYS CB C 18 32.360 29.898 2.462 1
1 120 . 1 1 1 A 18 18 CYS C C 18 176.087 175.419 0.668 1
1 121 . 1 1 1 A 19 19 GLY N N 19 112.703 109.842 2.861 1
1 122 . 1 1 1 A 19 19 GLY H H 19 8.234 8.193 0.041 1
1 123 . 1 1 1 A 19 19 GLY CA C 19 46.239 45.613 0.626 1
1 124 . 1 1 1 A 19 19 GLY HA2 H 19 3.805 4.101 -0.296 1
1 125 . 1 1 1 A 19 19 GLY HA3 H 19 4.261 4.119 0.142 1
1 126 . 1 1 1 A 19 19 GLY C C 19 173.775 174.070 -0.295 1
1 127 . 1 1 1 A 20 20 LYS N N 20 123.389 120.737 2.652 1
1 128 . 1 1 1 A 20 20 LYS H H 20 8.104 7.787 0.317 1
1 129 . 1 1 1 A 20 20 LYS CA C 20 58.247 54.728 3.519 1
1 130 . 1 1 1 A 20 20 LYS HA H 20 4.062 4.782 -0.720 1
1 131 . 1 1 1 A 20 20 LYS CB C 20 33.784 35.558 -1.774 1
1 143 . 1 1 1 A 20 20 LYS C C 20 174.521 174.943 -0.422 1
1 144 . 1 1 1 A 21 21 SER N N 21 115.758 123.275 -7.517 1
1 145 . 1 1 1 A 21 21 SER H H 21 7.892 8.706 -0.814 1
1 146 . 1 1 1 A 21 21 SER CA C 21 57.156 57.621 -0.465 1
1 147 . 1 1 1 A 21 21 SER HA H 21 5.346 5.360 -0.014 1
1 148 . 1 1 1 A 21 21 SER CB C 21 65.985 64.924 1.061 1
1 151 . 1 1 1 A 21 21 SER C C 21 172.978 173.070 -0.092 1
1 152 . 1 1 1 A 22 22 PHE N N 22 117.880 122.194 -4.314 1
1 153 . 1 1 1 A 22 22 PHE H H 22 8.858 8.566 0.292 1
1 154 . 1 1 1 A 22 22 PHE CA C 22 57.670 56.690 0.980 1
1 155 . 1 1 1 A 22 22 PHE HA H 22 4.809 5.021 -0.212 1
1 156 . 1 1 1 A 22 22 PHE CB C 22 43.763 41.437 2.326 1
1 169 . 1 1 1 A 22 22 PHE C C 22 175.046 175.908 -0.862 1
1 170 . 1 1 1 A 23 23 THR N N 23 119.545 117.564 1.981 1
1 171 . 1 1 1 A 23 23 THR H H 23 9.181 8.620 0.561 1
1 172 . 1 1 1 A 23 23 THR CA C 23 65.464 65.602 -0.138 1
1 173 . 1 1 1 A 23 23 THR HA H 23 4.093 4.207 -0.114 1
1 174 . 1 1 1 A 23 23 THR CB C 23 69.486 68.720 0.766 1
1 180 . 1 1 1 A 23 23 THR C C 23 173.355 175.166 -1.811 1
1 181 . 1 1 1 A 24 24 TRP N N 24 117.211 119.261 -2.050 1
1 182 . 1 1 1 A 24 24 TRP H H 24 7.379 8.034 -0.655 1
1 183 . 1 1 1 A 24 24 TRP CA C 24 55.014 56.656 -1.642 1
1 184 . 1 1 1 A 24 24 TRP HA H 24 5.262 5.079 0.183 1
1 185 . 1 1 1 A 24 24 TRP CB C 24 32.074 31.407 0.667 1
1 200 . 1 1 1 A 24 24 TRP C C 24 176.715 176.749 -0.034 1
1 201 . 1 1 1 A 25 25 LYS N N 25 128.489 125.731 2.758 1
1 202 . 1 1 1 A 25 25 LYS H H 25 8.898 9.012 -0.114 1
1 203 . 1 1 1 A 25 25 LYS CA C 25 59.794 59.579 0.215 1
1 204 . 1 1 1 A 25 25 LYS HA H 25 3.170 3.130 0.040 1
1 205 . 1 1 1 A 25 25 LYS CB C 25 31.754 31.663 0.091 1
1 217 . 1 1 1 A 25 25 LYS C C 25 178.478 178.191 0.287 1
1 218 . 1 1 1 A 26 26 SER CA C 26 60.740 61.867 -1.127 1
1 219 . 1 1 1 A 26 26 SER HA H 26 4.015 4.108 -0.093 1
1 220 . 1 1 1 A 26 26 SER CB C 26 61.524 62.719 -1.195 1
1 223 . 1 1 1 A 26 26 SER C C 26 176.918 176.666 0.252 1
1 224 . 1 1 1 A 27 27 ARG N N 27 120.638 122.068 -1.430 1
1 225 . 1 1 1 A 27 27 ARG H H 27 6.893 8.000 -1.107 1
1 226 . 1 1 1 A 27 27 ARG CA C 27 57.881 59.158 -1.277 1
1 227 . 1 1 1 A 27 27 ARG HA H 27 4.093 4.033 0.060 1
1 228 . 1 1 1 A 27 27 ARG CB C 27 29.682 30.062 -0.380 1
1 237 . 1 1 1 A 27 27 ARG C C 27 178.625 178.671 -0.046 1
1 238 . 1 1 1 A 28 28 LEU N N 28 122.539 121.543 0.996 1
1 239 . 1 1 1 A 28 28 LEU H H 28 7.143 7.827 -0.684 1
1 240 . 1 1 1 A 28 28 LEU CA C 28 57.892 58.009 -0.117 1
1 241 . 1 1 1 A 28 28 LEU HA H 28 3.096 3.188 -0.092 1
1 242 . 1 1 1 A 28 28 LEU CB C 28 40.043 41.215 -1.172 1
1 255 . 1 1 1 A 28 28 LEU C C 28 177.418 178.451 -1.033 1
1 256 . 1 1 1 A 29 29 ARG N N 29 117.943 118.035 -0.092 1
1 257 . 1 1 1 A 29 29 ARG H H 29 8.015 8.028 -0.013 1
1 258 . 1 1 1 A 29 29 ARG CA C 29 59.184 59.900 -0.716 1
1 259 . 1 1 1 A 29 29 ARG HA H 29 4.125 3.864 0.261 1
1 260 . 1 1 1 A 29 29 ARG CB C 29 29.612 29.929 -0.317 1
1 269 . 1 1 1 A 29 29 ARG C C 29 179.325 178.800 0.525 1
1 270 . 1 1 1 A 30 30 ILE N N 30 118.338 120.648 -2.310 1
1 271 . 1 1 1 A 30 30 ILE H H 30 7.320 7.699 -0.379 1
1 272 . 1 1 1 A 30 30 ILE CA C 30 64.473 65.337 -0.864 1
1 273 . 1 1 1 A 30 30 ILE HA H 30 3.688 3.628 0.060 1
1 274 . 1 1 1 A 30 30 ILE CB C 30 38.505 37.774 0.731 1
1 287 . 1 1 1 A 30 30 ILE C C 30 178.655 178.195 0.460 1
1 288 . 1 1 1 A 31 31 HIS N N 31 120.313 119.322 0.991 1
1 289 . 1 1 1 A 31 31 HIS H H 31 7.695 8.265 -0.570 1
1 290 . 1 1 1 A 31 31 HIS CA C 31 59.398 60.301 -0.903 1
1 291 . 1 1 1 A 31 31 HIS HA H 31 4.270 4.086 0.184 1
1 292 . 1 1 1 A 31 31 HIS CB C 31 28.465 29.669 -1.204 1
1 299 . 1 1 1 A 31 31 HIS C C 31 177.067 176.687 0.380 1
1 300 . 1 1 1 A 32 32 GLN N N 32 116.561 117.335 -0.774 1
1 301 . 1 1 1 A 32 32 GLN H H 32 8.559 8.599 -0.040 1
1 302 . 1 1 1 A 32 32 GLN CA C 32 59.534 59.315 0.219 1
1 303 . 1 1 1 A 32 32 GLN HA H 32 3.729 3.893 -0.164 1
1 304 . 1 1 1 A 32 32 GLN CB C 32 28.512 28.390 0.122 1
1 313 . 1 1 1 A 32 32 GLN C C 32 177.525 178.385 -0.860 1
1 314 . 1 1 1 A 33 33 LYS N N 33 118.421 118.372 0.049 1
1 315 . 1 1 1 A 33 33 LYS H H 33 7.242 7.739 -0.497 1
1 316 . 1 1 1 A 33 33 LYS CA C 33 58.469 59.128 -0.659 1
1 317 . 1 1 1 A 33 33 LYS HA H 33 4.133 4.048 0.085 1
1 318 . 1 1 1 A 33 33 LYS CB C 33 32.009 32.123 -0.114 1
1 330 . 1 1 1 A 33 33 LYS C C 33 178.287 178.673 -0.386 1
1 331 . 1 1 1 A 34 34 CYS N N 34 115.499 118.566 -3.067 1
1 332 . 1 1 1 A 34 34 CYS H H 34 7.930 7.970 -0.040 1
1 333 . 1 1 1 A 34 34 CYS CA C 34 60.410 62.841 -2.431 1
1 334 . 1 1 1 A 34 34 CYS HA H 34 4.349 3.873 0.476 1
1 335 . 1 1 1 A 34 34 CYS CB C 34 26.603 26.733 -0.130 1
1 338 . 1 1 1 A 34 34 CYS C C 34 175.397 177.480 -2.083 1
1 339 . 1 1 1 A 35 35 HIS N N 35 119.063 119.791 -0.728 1
1 340 . 1 1 1 A 35 35 HIS H H 35 7.391 7.656 -0.265 1
1 341 . 1 1 1 A 35 35 HIS CA C 35 55.026 58.781 -3.755 1
1 342 . 1 1 1 A 35 35 HIS HA H 35 4.926 4.265 0.661 1
1 343 . 1 1 1 A 35 35 HIS CB C 35 28.797 29.770 -0.973 1
1 350 . 1 1 1 A 35 35 HIS C C 35 175.409 176.367 -0.958 1
1 351 . 1 1 1 A 36 36 THR N N 36 112.789 112.499 0.290 1
1 352 . 1 1 1 A 36 36 THR H H 36 7.775 8.007 -0.232 1
1 353 . 1 1 1 A 36 36 THR CA C 36 62.596 63.627 -1.031 1
1 354 . 1 1 1 A 36 36 THR HA H 36 4.358 4.000 0.358 1
1 355 . 1 1 1 A 36 36 THR CB C 36 69.874 69.117 0.757 1
1 361 . 1 1 1 A 36 36 THR C C 36 175.265 175.096 0.169 1
1 362 . 1 1 1 A 37 37 GLY N N 37 110.969 115.801 -4.832 1
1 363 . 1 1 1 A 37 37 GLY H H 37 8.409 8.479 -0.070 1
1 364 . 1 1 1 A 37 37 GLY CA C 37 45.427 44.898 0.529 1
1 365 . 1 1 1 A 37 37 GLY HA2 H 37 4.036 4.180 -0.144 1
1 366 . 1 1 1 A 37 37 GLY HA3 H 37 3.983 4.180 -0.197 1
1 367 . 1 1 1 A 37 37 GLY C C 37 173.997 172.867 1.130 1
1 368 . 1 1 1 A 38 38 GLU N N 38 120.635 124.186 -3.551 1
1 369 . 1 1 1 A 38 38 GLU H H 38 8.171 8.606 -0.435 1
1 370 . 1 1 1 A 38 38 GLU CA C 38 56.637 55.212 1.425 1
1 371 . 1 1 1 A 38 38 GLU HA H 38 4.253 4.675 -0.422 1
1 372 . 1 1 1 A 38 38 GLU CB C 38 30.415 29.776 0.639 1
1 378 . 1 1 1 A 38 38 GLU C C 38 176.470 174.955 1.515 1
1 379 . 1 1 1 A 39 39 ARG N N 39 121.782 127.549 -5.767 1
1 380 . 1 1 1 A 39 39 ARG H H 39 8.351 8.706 -0.355 1
1 381 . 1 1 1 A 39 39 ARG CA C 39 56.036 54.520 1.516 1
1 382 . 1 1 1 A 39 39 ARG HA H 39 4.315 4.665 -0.350 1
1 383 . 1 1 1 A 39 39 ARG CB C 39 30.779 31.103 -0.324 1
1 392 . 1 1 1 A 39 39 ARG C C 39 176.053 175.251 0.802 1
1 397 . 1 1 1 A 42 42 GLY CA C 42 44.643 46.101 -1.458 1
1 398 . 1 1 1 A 42 42 GLY HA2 H 42 4.150 4.029 0.121 1
1 399 . 1 1 1 A 42 42 GLY HA3 H 42 4.150 4.030 0.120 1
1 400 . 1 1 1 A 43 43 PRO CA C 43 63.307 62.771 0.536 1
1 401 . 1 1 1 A 43 43 PRO HA H 43 4.501 4.628 -0.127 1
1 402 . 1 1 1 A 43 43 PRO CB C 43 32.245 32.061 0.184 1
1 411 . 1 1 1 A 43 43 PRO C C 43 174.518 176.634 -2.116 1
1 412 . 1 1 1 A 44 44 SER N N 44 116.564 118.210 -1.646 1
1 413 . 1 1 1 A 44 44 SER H H 44 8.531 8.499 0.032 1
1 414 . 1 1 1 A 44 44 SER CA C 44 58.000 57.978 0.022 1
1 1 . 2 1 1 A 7 7 GLY CA C 7 45.443 46.115 -0.672 1
1 2 . 2 1 1 A 7 7 GLY HA2 H 7 4.001 4.048 -0.047 1
1 3 . 2 1 1 A 7 7 GLY HA3 H 7 4.001 4.053 -0.052 1
1 4 . 2 1 1 A 7 7 GLY C C 7 174.517 174.931 -0.414 1
1 5 . 2 1 1 A 8 8 THR N N 8 112.810 115.609 -2.799 1
1 6 . 2 1 1 A 8 8 THR H H 8 8.114 8.226 -0.112 1
1 7 . 2 1 1 A 8 8 THR CA C 8 61.946 62.996 -1.050 1
1 8 . 2 1 1 A 8 8 THR HA H 8 4.359 4.056 0.303 1
1 9 . 2 1 1 A 8 8 THR CB C 8 69.788 66.673 3.115 1
1 15 . 2 1 1 A 8 8 THR C C 8 175.261 173.844 1.417 1
1 16 . 2 1 1 A 9 9 GLY CA C 9 45.194 44.653 0.541 1
1 17 . 2 1 1 A 9 9 GLY HA2 H 9 3.934 4.294 -0.360 1
1 18 . 2 1 1 A 9 9 GLY HA3 H 9 3.934 4.300 -0.366 1
1 19 . 2 1 1 A 10 10 GLU N N 10 120.417 123.848 -3.431 1
1 20 . 2 1 1 A 10 10 GLU H H 10 8.163 9.186 -1.023 1
1 21 . 2 1 1 A 10 10 GLU CA C 10 56.630 55.117 1.513 1
1 22 . 2 1 1 A 10 10 GLU HA H 10 4.157 4.926 -0.769 1
1 23 . 2 1 1 A 10 10 GLU CB C 10 30.424 31.780 -1.356 1
1 28 . 2 1 1 A 10 10 GLU C C 10 176.283 174.909 1.374 1
1 29 . 2 1 1 A 11 11 LYS N N 11 122.818 126.573 -3.755 1
1 30 . 2 1 1 A 11 11 LYS H H 11 8.319 8.617 -0.298 1
1 31 . 2 1 1 A 11 11 LYS CA C 11 54.069 53.121 0.948 1
1 32 . 2 1 1 A 11 11 LYS HA H 11 4.416 4.734 -0.318 1
1 33 . 2 1 1 A 11 11 LYS CB C 11 32.659 33.594 -0.935 1
1 45 . 2 1 1 A 11 11 LYS C C 11 174.368 176.317 -1.949 1
1 46 . 2 1 1 A 12 12 PRO CA C 12 63.821 63.714 0.107 1
1 47 . 2 1 1 A 12 12 PRO HA H 12 4.190 4.253 -0.063 1
1 48 . 2 1 1 A 12 12 PRO CB C 12 32.246 30.950 1.296 1
1 57 . 2 1 1 A 12 12 PRO C C 12 176.504 175.390 1.114 1
1 58 . 2 1 1 A 13 13 TYR N N 13 117.532 118.844 -1.312 1
1 59 . 2 1 1 A 13 13 TYR H H 13 7.808 7.419 0.389 1
1 60 . 2 1 1 A 13 13 TYR CA C 13 57.460 56.434 1.026 1
1 61 . 2 1 1 A 13 13 TYR HA H 13 4.723 5.343 -0.620 1
1 62 . 2 1 1 A 13 13 TYR CB C 13 38.681 43.164 -4.483 1
1 73 . 2 1 1 A 13 13 TYR C C 13 174.392 174.337 0.055 1
1 74 . 2 1 1 A 14 14 LYS N N 14 125.155 122.953 2.202 1
1 75 . 2 1 1 A 14 14 LYS H H 14 8.658 8.942 -0.284 1
1 76 . 2 1 1 A 14 14 LYS CA C 14 55.182 55.411 -0.229 1
1 77 . 2 1 1 A 14 14 LYS HA H 14 4.897 5.149 -0.252 1
1 78 . 2 1 1 A 14 14 LYS CB C 14 35.362 36.408 -1.046 1
1 90 . 2 1 1 A 14 14 LYS C C 14 175.434 175.143 0.291 1
1 91 . 2 1 1 A 15 15 CYS N N 15 127.487 125.498 1.989 1
1 92 . 2 1 1 A 15 15 CYS H H 15 9.257 9.492 -0.235 1
1 93 . 2 1 1 A 15 15 CYS CA C 15 59.645 60.419 -0.774 1
1 94 . 2 1 1 A 15 15 CYS HA H 15 4.552 4.397 0.155 1
1 95 . 2 1 1 A 15 15 CYS CB C 15 29.714 28.977 0.737 1
1 98 . 2 1 1 A 15 15 CYS C C 15 177.361 175.624 1.737 1
1 99 . 2 1 1 A 16 16 SER CA C 16 61.056 57.411 3.645 1
1 100 . 2 1 1 A 16 16 SER HA H 16 4.265 4.693 -0.428 1
1 101 . 2 1 1 A 16 16 SER CB C 16 63.129 63.132 -0.003 1
1 104 . 2 1 1 A 16 16 SER C C 16 174.425 174.389 0.036 1
1 105 . 2 1 1 A 17 17 ASP N N 17 122.836 122.181 0.655 1
1 106 . 2 1 1 A 17 17 ASP H H 17 8.675 8.486 0.189 1
1 107 . 2 1 1 A 17 17 ASP CA C 17 56.882 55.638 1.244 1
1 108 . 2 1 1 A 17 17 ASP HA H 17 4.573 4.901 -0.328 1
1 109 . 2 1 1 A 17 17 ASP CB C 17 41.393 43.248 -1.855 1
1 112 . 2 1 1 A 17 17 ASP C C 17 176.693 177.037 -0.344 1
1 113 . 2 1 1 A 18 18 CYS N N 18 114.845 115.584 -0.739 1
1 114 . 2 1 1 A 18 18 CYS H H 18 7.871 7.700 0.171 1
1 115 . 2 1 1 A 18 18 CYS CA C 18 58.669 59.694 -1.025 1
1 116 . 2 1 1 A 18 18 CYS HA H 18 5.149 4.609 0.540 1
1 117 . 2 1 1 A 18 18 CYS CB C 18 32.360 29.774 2.586 1
1 120 . 2 1 1 A 18 18 CYS C C 18 176.087 175.261 0.826 1
1 121 . 2 1 1 A 19 19 GLY N N 19 112.703 110.018 2.685 1
1 122 . 2 1 1 A 19 19 GLY H H 19 8.234 8.128 0.106 1
1 123 . 2 1 1 A 19 19 GLY CA C 19 46.239 45.219 1.020 1
1 124 . 2 1 1 A 19 19 GLY HA2 H 19 3.805 4.091 -0.286 1
1 125 . 2 1 1 A 19 19 GLY HA3 H 19 4.261 4.108 0.153 1
1 126 . 2 1 1 A 19 19 GLY C C 19 173.775 174.428 -0.653 1
1 127 . 2 1 1 A 20 20 LYS N N 20 123.389 122.028 1.361 1
1 128 . 2 1 1 A 20 20 LYS H H 20 8.104 7.958 0.146 1
1 129 . 2 1 1 A 20 20 LYS CA C 20 58.247 55.282 2.965 1
1 130 . 2 1 1 A 20 20 LYS HA H 20 4.062 4.580 -0.518 1
1 131 . 2 1 1 A 20 20 LYS CB C 20 33.784 34.212 -0.428 1
1 143 . 2 1 1 A 20 20 LYS C C 20 174.521 175.261 -0.740 1
1 144 . 2 1 1 A 21 21 SER N N 21 115.758 122.767 -7.009 1
1 145 . 2 1 1 A 21 21 SER H H 21 7.892 8.542 -0.650 1
1 146 . 2 1 1 A 21 21 SER CA C 21 57.156 57.437 -0.281 1
1 147 . 2 1 1 A 21 21 SER HA H 21 5.346 5.459 -0.113 1
1 148 . 2 1 1 A 21 21 SER CB C 21 65.985 65.124 0.861 1
1 151 . 2 1 1 A 21 21 SER C C 21 172.978 172.989 -0.011 1
1 152 . 2 1 1 A 22 22 PHE N N 22 117.880 122.902 -5.022 1
1 153 . 2 1 1 A 22 22 PHE H H 22 8.858 9.032 -0.174 1
1 154 . 2 1 1 A 22 22 PHE CA C 22 57.670 56.748 0.922 1
1 155 . 2 1 1 A 22 22 PHE HA H 22 4.809 4.841 -0.032 1
1 156 . 2 1 1 A 22 22 PHE CB C 22 43.763 42.533 1.230 1
1 169 . 2 1 1 A 22 22 PHE C C 22 175.046 175.852 -0.806 1
1 170 . 2 1 1 A 23 23 THR N N 23 119.545 116.552 2.993 1
1 171 . 2 1 1 A 23 23 THR H H 23 9.181 8.766 0.415 1
1 172 . 2 1 1 A 23 23 THR CA C 23 65.464 64.626 0.838 1
1 173 . 2 1 1 A 23 23 THR HA H 23 4.093 4.407 -0.314 1
1 174 . 2 1 1 A 23 23 THR CB C 23 69.486 69.135 0.351 1
1 180 . 2 1 1 A 23 23 THR C C 23 173.355 174.763 -1.408 1
1 181 . 2 1 1 A 24 24 TRP N N 24 117.211 119.341 -2.130 1
1 182 . 2 1 1 A 24 24 TRP H H 24 7.379 7.997 -0.618 1
1 183 . 2 1 1 A 24 24 TRP CA C 24 55.014 56.754 -1.740 1
1 184 . 2 1 1 A 24 24 TRP HA H 24 5.262 4.932 0.330 1
1 185 . 2 1 1 A 24 24 TRP CB C 24 32.074 30.942 1.132 1
1 200 . 2 1 1 A 24 24 TRP C C 24 176.715 176.532 0.183 1
1 201 . 2 1 1 A 25 25 LYS N N 25 128.489 125.686 2.803 1
1 202 . 2 1 1 A 25 25 LYS H H 25 8.898 8.744 0.154 1
1 203 . 2 1 1 A 25 25 LYS CA C 25 59.794 59.657 0.137 1
1 204 . 2 1 1 A 25 25 LYS HA H 25 3.170 3.102 0.068 1
1 205 . 2 1 1 A 25 25 LYS CB C 25 31.754 31.605 0.149 1
1 217 . 2 1 1 A 25 25 LYS C C 25 178.478 177.790 0.688 1
1 218 . 2 1 1 A 26 26 SER CA C 26 60.740 61.627 -0.887 1
1 219 . 2 1 1 A 26 26 SER HA H 26 4.015 4.011 0.004 1
1 220 . 2 1 1 A 26 26 SER CB C 26 61.524 62.915 -1.391 1
1 223 . 2 1 1 A 26 26 SER C C 26 176.918 177.245 -0.327 1
1 224 . 2 1 1 A 27 27 ARG N N 27 120.638 121.438 -0.800 1
1 225 . 2 1 1 A 27 27 ARG H H 27 6.893 8.015 -1.122 1
1 226 . 2 1 1 A 27 27 ARG CA C 27 57.881 59.090 -1.209 1
1 227 . 2 1 1 A 27 27 ARG HA H 27 4.093 3.953 0.140 1
1 228 . 2 1 1 A 27 27 ARG CB C 27 29.682 29.972 -0.290 1
1 237 . 2 1 1 A 27 27 ARG C C 27 178.625 178.617 0.008 1
1 238 . 2 1 1 A 28 28 LEU N N 28 122.539 121.397 1.142 1
1 239 . 2 1 1 A 28 28 LEU H H 28 7.143 7.672 -0.529 1
1 240 . 2 1 1 A 28 28 LEU CA C 28 57.892 57.725 0.167 1
1 241 . 2 1 1 A 28 28 LEU HA H 28 3.096 3.307 -0.211 1
1 242 . 2 1 1 A 28 28 LEU CB C 28 40.043 41.245 -1.202 1
1 255 . 2 1 1 A 28 28 LEU C C 28 177.418 178.589 -1.171 1
1 256 . 2 1 1 A 29 29 ARG N N 29 117.943 118.061 -0.118 1
1 257 . 2 1 1 A 29 29 ARG H H 29 8.015 8.088 -0.073 1
1 258 . 2 1 1 A 29 29 ARG CA C 29 59.184 59.855 -0.671 1
1 259 . 2 1 1 A 29 29 ARG HA H 29 4.125 3.894 0.231 1
1 260 . 2 1 1 A 29 29 ARG CB C 29 29.612 30.000 -0.388 1
1 269 . 2 1 1 A 29 29 ARG C C 29 179.325 178.751 0.574 1
1 270 . 2 1 1 A 30 30 ILE N N 30 118.338 120.031 -1.693 1
1 271 . 2 1 1 A 30 30 ILE H H 30 7.320 7.412 -0.092 1
1 272 . 2 1 1 A 30 30 ILE CA C 30 64.473 64.785 -0.312 1
1 273 . 2 1 1 A 30 30 ILE HA H 30 3.688 3.694 -0.006 1
1 274 . 2 1 1 A 30 30 ILE CB C 30 38.505 37.654 0.851 1
1 287 . 2 1 1 A 30 30 ILE C C 30 178.655 178.438 0.217 1
1 288 . 2 1 1 A 31 31 HIS N N 31 120.313 119.883 0.430 1
1 289 . 2 1 1 A 31 31 HIS H H 31 7.695 8.159 -0.464 1
1 290 . 2 1 1 A 31 31 HIS CA C 31 59.398 60.190 -0.792 1
1 291 . 2 1 1 A 31 31 HIS HA H 31 4.270 4.120 0.150 1
1 292 . 2 1 1 A 31 31 HIS CB C 31 28.465 29.736 -1.271 1
1 299 . 2 1 1 A 31 31 HIS C C 31 177.067 176.520 0.547 1
1 300 . 2 1 1 A 32 32 GLN N N 32 116.561 117.446 -0.885 1
1 301 . 2 1 1 A 32 32 GLN H H 32 8.559 8.307 0.252 1
1 302 . 2 1 1 A 32 32 GLN CA C 32 59.534 59.282 0.252 1
1 303 . 2 1 1 A 32 32 GLN HA H 32 3.729 3.899 -0.170 1
1 304 . 2 1 1 A 32 32 GLN CB C 32 28.512 28.140 0.372 1
1 313 . 2 1 1 A 32 32 GLN C C 32 177.525 178.809 -1.284 1
1 314 . 2 1 1 A 33 33 LYS N N 33 118.421 119.413 -0.992 1
1 315 . 2 1 1 A 33 33 LYS H H 33 7.242 8.165 -0.923 1
1 316 . 2 1 1 A 33 33 LYS CA C 33 58.469 59.556 -1.087 1
1 317 . 2 1 1 A 33 33 LYS HA H 33 4.133 3.977 0.156 1
1 318 . 2 1 1 A 33 33 LYS CB C 33 32.009 32.248 -0.239 1
1 330 . 2 1 1 A 33 33 LYS C C 33 178.287 179.134 -0.847 1
1 331 . 2 1 1 A 34 34 CYS N N 34 115.499 119.209 -3.710 1
1 332 . 2 1 1 A 34 34 CYS H H 34 7.930 8.032 -0.102 1
1 333 . 2 1 1 A 34 34 CYS CA C 34 60.410 62.600 -2.190 1
1 334 . 2 1 1 A 34 34 CYS HA H 34 4.349 3.977 0.372 1
1 335 . 2 1 1 A 34 34 CYS CB C 34 26.603 26.933 -0.330 1
1 338 . 2 1 1 A 34 34 CYS C C 34 175.397 176.133 -0.736 1
1 339 . 2 1 1 A 35 35 HIS N N 35 119.063 117.062 2.001 1
1 340 . 2 1 1 A 35 35 HIS H H 35 7.391 7.594 -0.203 1
1 341 . 2 1 1 A 35 35 HIS CA C 35 55.026 54.928 0.098 1
1 342 . 2 1 1 A 35 35 HIS HA H 35 4.926 4.600 0.326 1
1 343 . 2 1 1 A 35 35 HIS CB C 35 28.797 27.788 1.009 1
1 350 . 2 1 1 A 35 35 HIS C C 35 175.409 173.851 1.558 1
1 351 . 2 1 1 A 36 36 THR N N 36 112.789 114.066 -1.277 1
1 352 . 2 1 1 A 36 36 THR H H 36 7.775 8.357 -0.582 1
1 353 . 2 1 1 A 36 36 THR CA C 36 62.596 60.173 2.423 1
1 354 . 2 1 1 A 36 36 THR HA H 36 4.358 5.055 -0.697 1
1 355 . 2 1 1 A 36 36 THR CB C 36 69.874 71.782 -1.908 1
1 361 . 2 1 1 A 36 36 THR C C 36 175.265 174.271 0.994 1
1 362 . 2 1 1 A 37 37 GLY N N 37 110.969 109.003 1.966 1
1 363 . 2 1 1 A 37 37 GLY H H 37 8.409 8.525 -0.116 1
1 364 . 2 1 1 A 37 37 GLY CA C 37 45.427 45.164 0.263 1
1 365 . 2 1 1 A 37 37 GLY HA2 H 37 4.036 4.330 -0.294 1
1 366 . 2 1 1 A 37 37 GLY HA3 H 37 3.983 4.330 -0.347 1
1 367 . 2 1 1 A 37 37 GLY C C 37 173.997 172.325 1.672 1
1 368 . 2 1 1 A 38 38 GLU N N 38 120.635 120.598 0.037 1
1 369 . 2 1 1 A 38 38 GLU H H 38 8.171 8.604 -0.433 1
1 370 . 2 1 1 A 38 38 GLU CA C 38 56.637 54.504 2.133 1
1 371 . 2 1 1 A 38 38 GLU HA H 38 4.253 5.062 -0.809 1
1 372 . 2 1 1 A 38 38 GLU CB C 38 30.415 33.325 -2.910 1
1 378 . 2 1 1 A 38 38 GLU C C 38 176.470 174.996 1.474 1
1 379 . 2 1 1 A 39 39 ARG N N 39 121.782 125.034 -3.252 1
1 380 . 2 1 1 A 39 39 ARG H H 39 8.351 8.447 -0.096 1
1 381 . 2 1 1 A 39 39 ARG CA C 39 56.036 55.542 0.494 1
1 382 . 2 1 1 A 39 39 ARG HA H 39 4.315 4.353 -0.038 1
1 383 . 2 1 1 A 39 39 ARG CB C 39 30.779 29.845 0.934 1
1 392 . 2 1 1 A 39 39 ARG C C 39 176.053 175.782 0.271 1
1 397 . 2 1 1 A 42 42 GLY CA C 42 44.643 45.893 -1.250 1
1 398 . 2 1 1 A 42 42 GLY HA2 H 42 4.150 3.907 0.243 1
1 399 . 2 1 1 A 42 42 GLY HA3 H 42 4.150 3.909 0.241 1
1 400 . 2 1 1 A 43 43 PRO CA C 43 63.307 64.912 -1.605 1
1 401 . 2 1 1 A 43 43 PRO HA H 43 4.501 4.294 0.207 1
1 402 . 2 1 1 A 43 43 PRO CB C 43 32.245 32.000 0.245 1
1 411 . 2 1 1 A 43 43 PRO C C 43 174.518 176.938 -2.420 1
1 412 . 2 1 1 A 44 44 SER N N 44 116.564 113.544 3.020 1
1 413 . 2 1 1 A 44 44 SER H H 44 8.531 7.885 0.646 1
1 414 . 2 1 1 A 44 44 SER CA C 44 58.000 57.782 0.218 1
1 1 . 3 1 1 A 7 7 GLY CA C 7 45.443 45.433 0.010 1
1 2 . 3 1 1 A 7 7 GLY HA2 H 7 4.001 3.995 0.006 1
1 3 . 3 1 1 A 7 7 GLY HA3 H 7 4.001 3.999 0.002 1
1 4 . 3 1 1 A 7 7 GLY C C 7 174.517 174.731 -0.214 1
1 5 . 3 1 1 A 8 8 THR N N 8 112.810 114.930 -2.120 1
1 6 . 3 1 1 A 8 8 THR H H 8 8.114 7.710 0.404 1
1 7 . 3 1 1 A 8 8 THR CA C 8 61.946 62.437 -0.491 1
1 8 . 3 1 1 A 8 8 THR HA H 8 4.359 4.266 0.093 1
1 9 . 3 1 1 A 8 8 THR CB C 8 69.788 69.302 0.486 1
1 15 . 3 1 1 A 8 8 THR C C 8 175.261 174.380 0.881 1
1 16 . 3 1 1 A 9 9 GLY CA C 9 45.194 45.418 -0.224 1
1 17 . 3 1 1 A 9 9 GLY HA2 H 9 3.934 4.057 -0.123 1
1 18 . 3 1 1 A 9 9 GLY HA3 H 9 3.934 4.059 -0.125 1
1 19 . 3 1 1 A 10 10 GLU N N 10 120.417 123.040 -2.623 1
1 20 . 3 1 1 A 10 10 GLU H H 10 8.163 8.502 -0.339 1
1 21 . 3 1 1 A 10 10 GLU CA C 10 56.630 58.988 -2.358 1
1 22 . 3 1 1 A 10 10 GLU HA H 10 4.157 4.107 0.050 1
1 23 . 3 1 1 A 10 10 GLU CB C 10 30.424 30.417 0.007 1
1 28 . 3 1 1 A 10 10 GLU C C 10 176.283 176.885 -0.602 1
1 29 . 3 1 1 A 11 11 LYS N N 11 122.818 118.301 4.517 1
1 30 . 3 1 1 A 11 11 LYS H H 11 8.319 7.765 0.554 1
1 31 . 3 1 1 A 11 11 LYS CA C 11 54.069 52.934 1.135 1
1 32 . 3 1 1 A 11 11 LYS HA H 11 4.416 4.679 -0.263 1
1 33 . 3 1 1 A 11 11 LYS CB C 11 32.659 34.352 -1.693 1
1 45 . 3 1 1 A 11 11 LYS C C 11 174.368 175.925 -1.557 1
1 46 . 3 1 1 A 12 12 PRO CA C 12 63.821 63.695 0.126 1
1 47 . 3 1 1 A 12 12 PRO HA H 12 4.190 4.240 -0.050 1
1 48 . 3 1 1 A 12 12 PRO CB C 12 32.246 31.106 1.140 1
1 57 . 3 1 1 A 12 12 PRO C C 12 176.504 175.466 1.038 1
1 58 . 3 1 1 A 13 13 TYR N N 13 117.532 118.743 -1.211 1
1 59 . 3 1 1 A 13 13 TYR H H 13 7.808 7.352 0.456 1
1 60 . 3 1 1 A 13 13 TYR CA C 13 57.460 56.384 1.076 1
1 61 . 3 1 1 A 13 13 TYR HA H 13 4.723 5.335 -0.612 1
1 62 . 3 1 1 A 13 13 TYR CB C 13 38.681 43.074 -4.393 1
1 73 . 3 1 1 A 13 13 TYR C C 13 174.392 174.349 0.043 1
1 74 . 3 1 1 A 14 14 LYS N N 14 125.155 123.261 1.894 1
1 75 . 3 1 1 A 14 14 LYS H H 14 8.658 8.889 -0.231 1
1 76 . 3 1 1 A 14 14 LYS CA C 14 55.182 54.973 0.209 1
1 77 . 3 1 1 A 14 14 LYS HA H 14 4.897 5.250 -0.353 1
1 78 . 3 1 1 A 14 14 LYS CB C 14 35.362 36.382 -1.020 1
1 90 . 3 1 1 A 14 14 LYS C C 14 175.434 174.411 1.023 1
1 91 . 3 1 1 A 15 15 CYS N N 15 127.487 124.450 3.037 1
1 92 . 3 1 1 A 15 15 CYS H H 15 9.257 9.578 -0.321 1
1 93 . 3 1 1 A 15 15 CYS CA C 15 59.645 59.569 0.076 1
1 94 . 3 1 1 A 15 15 CYS HA H 15 4.552 4.602 -0.050 1
1 95 . 3 1 1 A 15 15 CYS CB C 15 29.714 29.193 0.521 1
1 98 . 3 1 1 A 15 15 CYS C C 15 177.361 176.353 1.008 1
1 99 . 3 1 1 A 16 16 SER CA C 16 61.056 59.388 1.668 1
1 100 . 3 1 1 A 16 16 SER HA H 16 4.265 4.362 -0.097 1
1 101 . 3 1 1 A 16 16 SER CB C 16 63.129 64.028 -0.899 1
1 104 . 3 1 1 A 16 16 SER C C 16 174.425 176.274 -1.849 1
1 105 . 3 1 1 A 17 17 ASP N N 17 122.836 122.093 0.743 1
1 106 . 3 1 1 A 17 17 ASP H H 17 8.675 7.793 0.882 1
1 107 . 3 1 1 A 17 17 ASP CA C 17 56.882 57.371 -0.489 1
1 108 . 3 1 1 A 17 17 ASP HA H 17 4.573 4.215 0.358 1
1 109 . 3 1 1 A 17 17 ASP CB C 17 41.393 40.076 1.317 1
1 112 . 3 1 1 A 17 17 ASP C C 17 176.693 177.593 -0.900 1
1 113 . 3 1 1 A 18 18 CYS N N 18 114.845 113.626 1.219 1
1 114 . 3 1 1 A 18 18 CYS H H 18 7.871 7.381 0.490 1
1 115 . 3 1 1 A 18 18 CYS CA C 18 58.669 59.473 -0.804 1
1 116 . 3 1 1 A 18 18 CYS HA H 18 5.149 4.196 0.953 1
1 117 . 3 1 1 A 18 18 CYS CB C 18 32.360 29.638 2.722 1
1 120 . 3 1 1 A 18 18 CYS C C 18 176.087 175.233 0.854 1
1 121 . 3 1 1 A 19 19 GLY N N 19 112.703 110.208 2.495 1
1 122 . 3 1 1 A 19 19 GLY H H 19 8.234 8.044 0.190 1
1 123 . 3 1 1 A 19 19 GLY CA C 19 46.239 45.229 1.010 1
1 124 . 3 1 1 A 19 19 GLY HA2 H 19 3.805 4.066 -0.261 1
1 125 . 3 1 1 A 19 19 GLY HA3 H 19 4.261 4.091 0.170 1
1 126 . 3 1 1 A 19 19 GLY C C 19 173.775 174.369 -0.594 1
1 127 . 3 1 1 A 20 20 LYS N N 20 123.389 122.084 1.305 1
1 128 . 3 1 1 A 20 20 LYS H H 20 8.104 8.024 0.080 1
1 129 . 3 1 1 A 20 20 LYS CA C 20 58.247 55.560 2.687 1
1 130 . 3 1 1 A 20 20 LYS HA H 20 4.062 4.563 -0.501 1
1 131 . 3 1 1 A 20 20 LYS CB C 20 33.784 33.851 -0.067 1
1 143 . 3 1 1 A 20 20 LYS C C 20 174.521 175.418 -0.897 1
1 144 . 3 1 1 A 21 21 SER N N 21 115.758 119.615 -3.857 1
1 145 . 3 1 1 A 21 21 SER H H 21 7.892 8.455 -0.563 1
1 146 . 3 1 1 A 21 21 SER CA C 21 57.156 56.938 0.218 1
1 147 . 3 1 1 A 21 21 SER HA H 21 5.346 5.369 -0.023 1
1 148 . 3 1 1 A 21 21 SER CB C 21 65.985 65.600 0.385 1
1 151 . 3 1 1 A 21 21 SER C C 21 172.978 172.740 0.238 1
1 152 . 3 1 1 A 22 22 PHE N N 22 117.880 121.977 -4.097 1
1 153 . 3 1 1 A 22 22 PHE H H 22 8.858 8.633 0.225 1
1 154 . 3 1 1 A 22 22 PHE CA C 22 57.670 56.781 0.889 1
1 155 . 3 1 1 A 22 22 PHE HA H 22 4.809 4.906 -0.097 1
1 156 . 3 1 1 A 22 22 PHE CB C 22 43.763 43.137 0.626 1
1 169 . 3 1 1 A 22 22 PHE C C 22 175.046 175.661 -0.615 1
1 170 . 3 1 1 A 23 23 THR N N 23 119.545 115.908 3.637 1
1 171 . 3 1 1 A 23 23 THR H H 23 9.181 8.919 0.262 1
1 172 . 3 1 1 A 23 23 THR CA C 23 65.464 64.033 1.431 1
1 173 . 3 1 1 A 23 23 THR HA H 23 4.093 4.386 -0.293 1
1 174 . 3 1 1 A 23 23 THR CB C 23 69.486 69.174 0.312 1
1 180 . 3 1 1 A 23 23 THR C C 23 173.355 174.727 -1.372 1
1 181 . 3 1 1 A 24 24 TRP N N 24 117.211 119.666 -2.455 1
1 182 . 3 1 1 A 24 24 TRP H H 24 7.379 8.072 -0.693 1
1 183 . 3 1 1 A 24 24 TRP CA C 24 55.014 56.606 -1.592 1
1 184 . 3 1 1 A 24 24 TRP HA H 24 5.262 5.073 0.189 1
1 185 . 3 1 1 A 24 24 TRP CB C 24 32.074 29.676 2.398 1
1 200 . 3 1 1 A 24 24 TRP C C 24 176.715 177.193 -0.478 1
1 201 . 3 1 1 A 25 25 LYS N N 25 128.489 124.575 3.914 1
1 202 . 3 1 1 A 25 25 LYS H H 25 8.898 8.278 0.620 1
1 203 . 3 1 1 A 25 25 LYS CA C 25 59.794 58.447 1.347 1
1 204 . 3 1 1 A 25 25 LYS HA H 25 3.170 3.451 -0.281 1
1 205 . 3 1 1 A 25 25 LYS CB C 25 31.754 31.264 0.490 1
1 217 . 3 1 1 A 25 25 LYS C C 25 178.478 177.958 0.520 1
1 218 . 3 1 1 A 26 26 SER CA C 26 60.740 61.862 -1.122 1
1 219 . 3 1 1 A 26 26 SER HA H 26 4.015 4.013 0.002 1
1 220 . 3 1 1 A 26 26 SER CB C 26 61.524 62.578 -1.054 1
1 223 . 3 1 1 A 26 26 SER C C 26 176.918 176.691 0.227 1
1 224 . 3 1 1 A 27 27 ARG N N 27 120.638 121.798 -1.160 1
1 225 . 3 1 1 A 27 27 ARG H H 27 6.893 7.827 -0.934 1
1 226 . 3 1 1 A 27 27 ARG CA C 27 57.881 59.062 -1.181 1
1 227 . 3 1 1 A 27 27 ARG HA H 27 4.093 4.022 0.071 1
1 228 . 3 1 1 A 27 27 ARG CB C 27 29.682 29.998 -0.316 1
1 237 . 3 1 1 A 27 27 ARG C C 27 178.625 178.659 -0.034 1
1 238 . 3 1 1 A 28 28 LEU N N 28 122.539 121.418 1.121 1
1 239 . 3 1 1 A 28 28 LEU H H 28 7.143 7.751 -0.608 1
1 240 . 3 1 1 A 28 28 LEU CA C 28 57.892 57.672 0.220 1
1 241 . 3 1 1 A 28 28 LEU HA H 28 3.096 3.333 -0.237 1
1 242 . 3 1 1 A 28 28 LEU CB C 28 40.043 41.125 -1.082 1
1 255 . 3 1 1 A 28 28 LEU C C 28 177.418 178.625 -1.207 1
1 256 . 3 1 1 A 29 29 ARG N N 29 117.943 118.098 -0.155 1
1 257 . 3 1 1 A 29 29 ARG H H 29 8.015 8.171 -0.156 1
1 258 . 3 1 1 A 29 29 ARG CA C 29 59.184 59.871 -0.687 1
1 259 . 3 1 1 A 29 29 ARG HA H 29 4.125 3.874 0.251 1
1 260 . 3 1 1 A 29 29 ARG CB C 29 29.612 29.962 -0.350 1
1 269 . 3 1 1 A 29 29 ARG C C 29 179.325 178.700 0.625 1
1 270 . 3 1 1 A 30 30 ILE N N 30 118.338 119.845 -1.507 1
1 271 . 3 1 1 A 30 30 ILE H H 30 7.320 7.596 -0.276 1
1 272 . 3 1 1 A 30 30 ILE CA C 30 64.473 64.528 -0.055 1
1 273 . 3 1 1 A 30 30 ILE HA H 30 3.688 3.777 -0.089 1
1 274 . 3 1 1 A 30 30 ILE CB C 30 38.505 37.730 0.775 1
1 287 . 3 1 1 A 30 30 ILE C C 30 178.655 178.114 0.541 1
1 288 . 3 1 1 A 31 31 HIS N N 31 120.313 119.310 1.003 1
1 289 . 3 1 1 A 31 31 HIS H H 31 7.695 8.462 -0.767 1
1 290 . 3 1 1 A 31 31 HIS CA C 31 59.398 59.412 -0.014 1
1 291 . 3 1 1 A 31 31 HIS HA H 31 4.270 4.064 0.206 1
1 292 . 3 1 1 A 31 31 HIS CB C 31 28.465 30.094 -1.629 1
1 299 . 3 1 1 A 31 31 HIS C C 31 177.067 177.181 -0.114 1
1 300 . 3 1 1 A 32 32 GLN N N 32 116.561 118.765 -2.204 1
1 301 . 3 1 1 A 32 32 GLN H H 32 8.559 7.702 0.857 1
1 302 . 3 1 1 A 32 32 GLN CA C 32 59.534 59.083 0.451 1
1 303 . 3 1 1 A 32 32 GLN HA H 32 3.729 4.350 -0.621 1
1 304 . 3 1 1 A 32 32 GLN CB C 32 28.512 28.765 -0.253 1
1 313 . 3 1 1 A 32 32 GLN C C 32 177.525 178.815 -1.290 1
1 314 . 3 1 1 A 33 33 LYS N N 33 118.421 118.554 -0.133 1
1 315 . 3 1 1 A 33 33 LYS H H 33 7.242 8.082 -0.840 1
1 316 . 3 1 1 A 33 33 LYS CA C 33 58.469 58.672 -0.203 1
1 317 . 3 1 1 A 33 33 LYS HA H 33 4.133 4.154 -0.021 1
1 318 . 3 1 1 A 33 33 LYS CB C 33 32.009 31.324 0.685 1
1 330 . 3 1 1 A 33 33 LYS C C 33 178.287 177.535 0.752 1
1 331 . 3 1 1 A 34 34 CYS N N 34 115.499 117.142 -1.643 1
1 332 . 3 1 1 A 34 34 CYS H H 34 7.930 7.840 0.090 1
1 333 . 3 1 1 A 34 34 CYS CA C 34 60.410 60.489 -0.079 1
1 334 . 3 1 1 A 34 34 CYS HA H 34 4.349 4.344 0.005 1
1 335 . 3 1 1 A 34 34 CYS CB C 34 26.603 27.589 -0.986 1
1 338 . 3 1 1 A 34 34 CYS C C 34 175.397 175.619 -0.222 1
1 339 . 3 1 1 A 35 35 HIS N N 35 119.063 119.223 -0.160 1
1 340 . 3 1 1 A 35 35 HIS H H 35 7.391 7.337 0.054 1
1 341 . 3 1 1 A 35 35 HIS CA C 35 55.026 54.366 0.660 1
1 342 . 3 1 1 A 35 35 HIS HA H 35 4.926 4.628 0.298 1
1 343 . 3 1 1 A 35 35 HIS CB C 35 28.797 27.212 1.585 1
1 350 . 3 1 1 A 35 35 HIS C C 35 175.409 174.387 1.022 1
1 351 . 3 1 1 A 36 36 THR N N 36 112.789 111.762 1.027 1
1 352 . 3 1 1 A 36 36 THR H H 36 7.775 7.975 -0.200 1
1 353 . 3 1 1 A 36 36 THR CA C 36 62.596 61.340 1.256 1
1 354 . 3 1 1 A 36 36 THR HA H 36 4.358 4.488 -0.130 1
1 355 . 3 1 1 A 36 36 THR CB C 36 69.874 68.886 0.988 1
1 361 . 3 1 1 A 36 36 THR C C 36 175.265 174.764 0.501 1
1 362 . 3 1 1 A 37 37 GLY N N 37 110.969 112.622 -1.653 1
1 363 . 3 1 1 A 37 37 GLY H H 37 8.409 8.079 0.330 1
1 364 . 3 1 1 A 37 37 GLY CA C 37 45.427 45.389 0.038 1
1 365 . 3 1 1 A 37 37 GLY HA2 H 37 4.036 4.105 -0.069 1
1 366 . 3 1 1 A 37 37 GLY HA3 H 37 3.983 4.105 -0.122 1
1 367 . 3 1 1 A 37 37 GLY C C 37 173.997 173.573 0.424 1
1 368 . 3 1 1 A 38 38 GLU N N 38 120.635 118.900 1.735 1
1 369 . 3 1 1 A 38 38 GLU H H 38 8.171 7.891 0.280 1
1 370 . 3 1 1 A 38 38 GLU CA C 38 56.637 56.153 0.484 1
1 371 . 3 1 1 A 38 38 GLU HA H 38 4.253 4.854 -0.601 1
1 372 . 3 1 1 A 38 38 GLU CB C 38 30.415 32.779 -2.364 1
1 378 . 3 1 1 A 38 38 GLU C C 38 176.470 174.448 2.022 1
1 379 . 3 1 1 A 39 39 ARG N N 39 121.782 126.062 -4.280 1
1 380 . 3 1 1 A 39 39 ARG H H 39 8.351 8.937 -0.586 1
1 381 . 3 1 1 A 39 39 ARG CA C 39 56.036 54.711 1.325 1
1 382 . 3 1 1 A 39 39 ARG HA H 39 4.315 5.140 -0.825 1
1 383 . 3 1 1 A 39 39 ARG CB C 39 30.779 33.679 -2.900 1
1 392 . 3 1 1 A 39 39 ARG C C 39 176.053 175.626 0.427 1
1 397 . 3 1 1 A 42 42 GLY CA C 42 44.643 44.306 0.337 1
1 398 . 3 1 1 A 42 42 GLY HA2 H 42 4.150 4.147 0.003 1
1 399 . 3 1 1 A 42 42 GLY HA3 H 42 4.150 4.148 0.002 1
1 400 . 3 1 1 A 43 43 PRO CA C 43 63.307 62.643 0.664 1
1 401 . 3 1 1 A 43 43 PRO HA H 43 4.501 4.686 -0.185 1
1 402 . 3 1 1 A 43 43 PRO CB C 43 32.245 33.687 -1.442 1
1 411 . 3 1 1 A 43 43 PRO C C 43 174.518 175.845 -1.327 1
1 412 . 3 1 1 A 44 44 SER N N 44 116.564 113.903 2.661 1
1 413 . 3 1 1 A 44 44 SER H H 44 8.531 8.309 0.222 1
1 414 . 3 1 1 A 44 44 SER CA C 44 58.000 57.287 0.713 1
1 1 . 4 1 1 A 7 7 GLY CA C 7 45.443 45.521 -0.078 1
1 2 . 4 1 1 A 7 7 GLY HA2 H 7 4.001 4.109 -0.108 1
1 3 . 4 1 1 A 7 7 GLY HA3 H 7 4.001 4.110 -0.109 1
1 4 . 4 1 1 A 7 7 GLY C C 7 174.517 174.229 0.288 1
1 5 . 4 1 1 A 8 8 THR N N 8 112.810 112.686 0.124 1
1 6 . 4 1 1 A 8 8 THR H H 8 8.114 8.085 0.029 1
1 7 . 4 1 1 A 8 8 THR CA C 8 61.946 60.525 1.421 1
1 8 . 4 1 1 A 8 8 THR HA H 8 4.359 4.586 -0.227 1
1 9 . 4 1 1 A 8 8 THR CB C 8 69.788 68.710 1.078 1
1 15 . 4 1 1 A 8 8 THR C C 8 175.261 173.997 1.264 1
1 16 . 4 1 1 A 9 9 GLY CA C 9 45.194 46.034 -0.840 1
1 17 . 4 1 1 A 9 9 GLY HA2 H 9 3.934 3.957 -0.023 1
1 18 . 4 1 1 A 9 9 GLY HA3 H 9 3.934 3.959 -0.025 1
1 19 . 4 1 1 A 10 10 GLU N N 10 120.417 124.110 -3.693 1
1 20 . 4 1 1 A 10 10 GLU H H 10 8.163 8.480 -0.317 1
1 21 . 4 1 1 A 10 10 GLU CA C 10 56.630 55.638 0.992 1
1 22 . 4 1 1 A 10 10 GLU HA H 10 4.157 4.373 -0.216 1
1 23 . 4 1 1 A 10 10 GLU CB C 10 30.424 28.511 1.913 1
1 28 . 4 1 1 A 10 10 GLU C C 10 176.283 175.687 0.596 1
1 29 . 4 1 1 A 11 11 LYS N N 11 122.818 127.221 -4.403 1
1 30 . 4 1 1 A 11 11 LYS H H 11 8.319 8.108 0.211 1
1 31 . 4 1 1 A 11 11 LYS CA C 11 54.069 54.876 -0.807 1
1 32 . 4 1 1 A 11 11 LYS HA H 11 4.416 4.323 0.093 1
1 33 . 4 1 1 A 11 11 LYS CB C 11 32.659 31.761 0.898 1
1 45 . 4 1 1 A 11 11 LYS C C 11 174.368 176.474 -2.106 1
1 46 . 4 1 1 A 12 12 PRO CA C 12 63.821 63.781 0.040 1
1 47 . 4 1 1 A 12 12 PRO HA H 12 4.190 4.254 -0.064 1
1 48 . 4 1 1 A 12 12 PRO CB C 12 32.246 31.194 1.052 1
1 57 . 4 1 1 A 12 12 PRO C C 12 176.504 175.417 1.087 1
1 58 . 4 1 1 A 13 13 TYR N N 13 117.532 118.812 -1.280 1
1 59 . 4 1 1 A 13 13 TYR H H 13 7.808 7.493 0.315 1
1 60 . 4 1 1 A 13 13 TYR CA C 13 57.460 56.366 1.094 1
1 61 . 4 1 1 A 13 13 TYR HA H 13 4.723 5.351 -0.628 1
1 62 . 4 1 1 A 13 13 TYR CB C 13 38.681 43.207 -4.526 1
1 73 . 4 1 1 A 13 13 TYR C C 13 174.392 174.305 0.087 1
1 74 . 4 1 1 A 14 14 LYS N N 14 125.155 123.300 1.855 1
1 75 . 4 1 1 A 14 14 LYS H H 14 8.658 8.947 -0.289 1
1 76 . 4 1 1 A 14 14 LYS CA C 14 55.182 54.999 0.183 1
1 77 . 4 1 1 A 14 14 LYS HA H 14 4.897 5.027 -0.130 1
1 78 . 4 1 1 A 14 14 LYS CB C 14 35.362 36.396 -1.034 1
1 90 . 4 1 1 A 14 14 LYS C C 14 175.434 175.122 0.312 1
1 91 . 4 1 1 A 15 15 CYS N N 15 127.487 125.190 2.297 1
1 92 . 4 1 1 A 15 15 CYS H H 15 9.257 8.928 0.329 1
1 93 . 4 1 1 A 15 15 CYS CA C 15 59.645 60.200 -0.555 1
1 94 . 4 1 1 A 15 15 CYS HA H 15 4.552 4.522 0.030 1
1 95 . 4 1 1 A 15 15 CYS CB C 15 29.714 28.533 1.181 1
1 98 . 4 1 1 A 15 15 CYS C C 15 177.361 175.491 1.870 1
1 99 . 4 1 1 A 16 16 SER CA C 16 61.056 57.373 3.683 1
1 100 . 4 1 1 A 16 16 SER HA H 16 4.265 4.729 -0.464 1
1 101 . 4 1 1 A 16 16 SER CB C 16 63.129 63.463 -0.334 1
1 104 . 4 1 1 A 16 16 SER C C 16 174.425 174.913 -0.488 1
1 105 . 4 1 1 A 17 17 ASP N N 17 122.836 122.118 0.718 1
1 106 . 4 1 1 A 17 17 ASP H H 17 8.675 8.241 0.434 1
1 107 . 4 1 1 A 17 17 ASP CA C 17 56.882 55.262 1.620 1
1 108 . 4 1 1 A 17 17 ASP HA H 17 4.573 4.745 -0.172 1
1 109 . 4 1 1 A 17 17 ASP CB C 17 41.393 42.923 -1.530 1
1 112 . 4 1 1 A 17 17 ASP C C 17 176.693 177.445 -0.752 1
1 113 . 4 1 1 A 18 18 CYS N N 18 114.845 114.234 0.611 1
1 114 . 4 1 1 A 18 18 CYS H H 18 7.871 7.692 0.179 1
1 115 . 4 1 1 A 18 18 CYS CA C 18 58.669 59.740 -1.071 1
1 116 . 4 1 1 A 18 18 CYS HA H 18 5.149 4.712 0.437 1
1 117 . 4 1 1 A 18 18 CYS CB C 18 32.360 29.903 2.457 1
1 120 . 4 1 1 A 18 18 CYS C C 18 176.087 175.460 0.627 1
1 121 . 4 1 1 A 19 19 GLY N N 19 112.703 109.983 2.720 1
1 122 . 4 1 1 A 19 19 GLY H H 19 8.234 8.050 0.184 1
1 123 . 4 1 1 A 19 19 GLY CA C 19 46.239 45.346 0.893 1
1 124 . 4 1 1 A 19 19 GLY HA2 H 19 3.805 4.090 -0.285 1
1 125 . 4 1 1 A 19 19 GLY HA3 H 19 4.261 4.105 0.156 1
1 126 . 4 1 1 A 19 19 GLY C C 19 173.775 174.399 -0.624 1
1 127 . 4 1 1 A 20 20 LYS N N 20 123.389 121.586 1.803 1
1 128 . 4 1 1 A 20 20 LYS H H 20 8.104 7.912 0.192 1
1 129 . 4 1 1 A 20 20 LYS CA C 20 58.247 55.071 3.176 1
1 130 . 4 1 1 A 20 20 LYS HA H 20 4.062 4.617 -0.555 1
1 131 . 4 1 1 A 20 20 LYS CB C 20 33.784 33.958 -0.174 1
1 143 . 4 1 1 A 20 20 LYS C C 20 174.521 175.265 -0.744 1
1 144 . 4 1 1 A 21 21 SER N N 21 115.758 117.621 -1.863 1
1 145 . 4 1 1 A 21 21 SER H H 21 7.892 8.449 -0.557 1
1 146 . 4 1 1 A 21 21 SER CA C 21 57.156 56.951 0.205 1
1 147 . 4 1 1 A 21 21 SER HA H 21 5.346 5.431 -0.085 1
1 148 . 4 1 1 A 21 21 SER CB C 21 65.985 65.317 0.668 1
1 151 . 4 1 1 A 21 21 SER C C 21 172.978 172.930 0.048 1
1 152 . 4 1 1 A 22 22 PHE N N 22 117.880 122.702 -4.822 1
1 153 . 4 1 1 A 22 22 PHE H H 22 8.858 8.604 0.254 1
1 154 . 4 1 1 A 22 22 PHE CA C 22 57.670 56.873 0.797 1
1 155 . 4 1 1 A 22 22 PHE HA H 22 4.809 4.911 -0.102 1
1 156 . 4 1 1 A 22 22 PHE CB C 22 43.763 42.497 1.266 1
1 169 . 4 1 1 A 22 22 PHE C C 22 175.046 175.756 -0.710 1
1 170 . 4 1 1 A 23 23 THR N N 23 119.545 116.382 3.163 1
1 171 . 4 1 1 A 23 23 THR H H 23 9.181 8.742 0.439 1
1 172 . 4 1 1 A 23 23 THR CA C 23 65.464 64.492 0.972 1
1 173 . 4 1 1 A 23 23 THR HA H 23 4.093 4.495 -0.402 1
1 174 . 4 1 1 A 23 23 THR CB C 23 69.486 69.257 0.229 1
1 180 . 4 1 1 A 23 23 THR C C 23 173.355 174.991 -1.636 1
1 181 . 4 1 1 A 24 24 TRP N N 24 117.211 119.560 -2.349 1
1 182 . 4 1 1 A 24 24 TRP H H 24 7.379 8.035 -0.656 1
1 183 . 4 1 1 A 24 24 TRP CA C 24 55.014 56.938 -1.924 1
1 184 . 4 1 1 A 24 24 TRP HA H 24 5.262 4.926 0.336 1
1 185 . 4 1 1 A 24 24 TRP CB C 24 32.074 31.325 0.749 1
1 200 . 4 1 1 A 24 24 TRP C C 24 176.715 176.670 0.045 1
1 201 . 4 1 1 A 25 25 LYS N N 25 128.489 124.071 4.418 1
1 202 . 4 1 1 A 25 25 LYS H H 25 8.898 8.821 0.077 1
1 203 . 4 1 1 A 25 25 LYS CA C 25 59.794 59.344 0.450 1
1 204 . 4 1 1 A 25 25 LYS HA H 25 3.170 2.926 0.244 1
1 205 . 4 1 1 A 25 25 LYS CB C 25 31.754 31.904 -0.150 1
1 217 . 4 1 1 A 25 25 LYS C C 25 178.478 178.101 0.377 1
1 218 . 4 1 1 A 26 26 SER CA C 26 60.740 61.298 -0.558 1
1 219 . 4 1 1 A 26 26 SER HA H 26 4.015 4.118 -0.103 1
1 220 . 4 1 1 A 26 26 SER CB C 26 61.524 62.709 -1.185 1
1 223 . 4 1 1 A 26 26 SER C C 26 176.918 176.722 0.196 1
1 224 . 4 1 1 A 27 27 ARG N N 27 120.638 121.291 -0.653 1
1 225 . 4 1 1 A 27 27 ARG H H 27 6.893 7.924 -1.031 1
1 226 . 4 1 1 A 27 27 ARG CA C 27 57.881 59.338 -1.457 1
1 227 . 4 1 1 A 27 27 ARG HA H 27 4.093 3.946 0.147 1
1 228 . 4 1 1 A 27 27 ARG CB C 27 29.682 30.116 -0.434 1
1 237 . 4 1 1 A 27 27 ARG C C 27 178.625 178.389 0.236 1
1 238 . 4 1 1 A 28 28 LEU N N 28 122.539 121.528 1.011 1
1 239 . 4 1 1 A 28 28 LEU H H 28 7.143 7.524 -0.381 1
1 240 . 4 1 1 A 28 28 LEU CA C 28 57.892 57.915 -0.023 1
1 241 . 4 1 1 A 28 28 LEU HA H 28 3.096 2.868 0.228 1
1 242 . 4 1 1 A 28 28 LEU CB C 28 40.043 41.284 -1.241 1
1 255 . 4 1 1 A 28 28 LEU C C 28 177.418 178.267 -0.849 1
1 256 . 4 1 1 A 29 29 ARG N N 29 117.943 117.817 0.126 1
1 257 . 4 1 1 A 29 29 ARG H H 29 8.015 7.874 0.141 1
1 258 . 4 1 1 A 29 29 ARG CA C 29 59.184 59.624 -0.440 1
1 259 . 4 1 1 A 29 29 ARG HA H 29 4.125 3.853 0.272 1
1 260 . 4 1 1 A 29 29 ARG CB C 29 29.612 29.979 -0.367 1
1 269 . 4 1 1 A 29 29 ARG C C 29 179.325 178.867 0.458 1
1 270 . 4 1 1 A 30 30 ILE N N 30 118.338 120.353 -2.015 1
1 271 . 4 1 1 A 30 30 ILE H H 30 7.320 7.875 -0.555 1
1 272 . 4 1 1 A 30 30 ILE CA C 30 64.473 65.032 -0.559 1
1 273 . 4 1 1 A 30 30 ILE HA H 30 3.688 3.778 -0.090 1
1 274 . 4 1 1 A 30 30 ILE CB C 30 38.505 37.686 0.819 1
1 287 . 4 1 1 A 30 30 ILE C C 30 178.655 178.641 0.014 1
1 288 . 4 1 1 A 31 31 HIS N N 31 120.313 119.994 0.319 1
1 289 . 4 1 1 A 31 31 HIS H H 31 7.695 8.040 -0.345 1
1 290 . 4 1 1 A 31 31 HIS CA C 31 59.398 59.792 -0.394 1
1 291 . 4 1 1 A 31 31 HIS HA H 31 4.270 4.224 0.046 1
1 292 . 4 1 1 A 31 31 HIS CB C 31 28.465 29.712 -1.247 1
1 299 . 4 1 1 A 31 31 HIS C C 31 177.067 176.690 0.377 1
1 300 . 4 1 1 A 32 32 GLN N N 32 116.561 117.604 -1.043 1
1 301 . 4 1 1 A 32 32 GLN H H 32 8.559 8.679 -0.120 1
1 302 . 4 1 1 A 32 32 GLN CA C 32 59.534 59.402 0.132 1
1 303 . 4 1 1 A 32 32 GLN HA H 32 3.729 3.987 -0.258 1
1 304 . 4 1 1 A 32 32 GLN CB C 32 28.512 28.328 0.184 1
1 313 . 4 1 1 A 32 32 GLN C C 32 177.525 178.425 -0.900 1
1 314 . 4 1 1 A 33 33 LYS N N 33 118.421 118.403 0.018 1
1 315 . 4 1 1 A 33 33 LYS H H 33 7.242 7.937 -0.695 1
1 316 . 4 1 1 A 33 33 LYS CA C 33 58.469 59.203 -0.734 1
1 317 . 4 1 1 A 33 33 LYS HA H 33 4.133 4.058 0.075 1
1 318 . 4 1 1 A 33 33 LYS CB C 33 32.009 32.002 0.007 1
1 330 . 4 1 1 A 33 33 LYS C C 33 178.287 178.670 -0.383 1
1 331 . 4 1 1 A 34 34 CYS N N 34 115.499 118.482 -2.983 1
1 332 . 4 1 1 A 34 34 CYS H H 34 7.930 7.737 0.193 1
1 333 . 4 1 1 A 34 34 CYS CA C 34 60.410 62.851 -2.441 1
1 334 . 4 1 1 A 34 34 CYS HA H 34 4.349 3.948 0.401 1
1 335 . 4 1 1 A 34 34 CYS CB C 34 26.603 26.793 -0.190 1
1 338 . 4 1 1 A 34 34 CYS C C 34 175.397 177.411 -2.014 1
1 339 . 4 1 1 A 35 35 HIS N N 35 119.063 119.448 -0.385 1
1 340 . 4 1 1 A 35 35 HIS H H 35 7.391 7.832 -0.441 1
1 341 . 4 1 1 A 35 35 HIS CA C 35 55.026 58.902 -3.876 1
1 342 . 4 1 1 A 35 35 HIS HA H 35 4.926 4.224 0.702 1
1 343 . 4 1 1 A 35 35 HIS CB C 35 28.797 29.654 -0.857 1
1 350 . 4 1 1 A 35 35 HIS C C 35 175.409 176.448 -1.039 1
1 351 . 4 1 1 A 36 36 THR N N 36 112.789 111.383 1.406 1
1 352 . 4 1 1 A 36 36 THR H H 36 7.775 7.992 -0.217 1
1 353 . 4 1 1 A 36 36 THR CA C 36 62.596 62.919 -0.323 1
1 354 . 4 1 1 A 36 36 THR HA H 36 4.358 4.202 0.156 1
1 355 . 4 1 1 A 36 36 THR CB C 36 69.874 69.332 0.542 1
1 361 . 4 1 1 A 36 36 THR C C 36 175.265 173.798 1.467 1
1 362 . 4 1 1 A 37 37 GLY N N 37 110.969 113.925 -2.956 1
1 363 . 4 1 1 A 37 37 GLY H H 37 8.409 8.291 0.118 1
1 364 . 4 1 1 A 37 37 GLY CA C 37 45.427 46.188 -0.761 1
1 365 . 4 1 1 A 37 37 GLY HA2 H 37 4.036 4.219 -0.183 1
1 366 . 4 1 1 A 37 37 GLY HA3 H 37 3.983 4.222 -0.239 1
1 367 . 4 1 1 A 37 37 GLY C C 37 173.997 172.244 1.753 1
1 368 . 4 1 1 A 38 38 GLU N N 38 120.635 123.637 -3.002 1
1 369 . 4 1 1 A 38 38 GLU H H 38 8.171 8.726 -0.555 1
1 370 . 4 1 1 A 38 38 GLU CA C 38 56.637 55.302 1.335 1
1 371 . 4 1 1 A 38 38 GLU HA H 38 4.253 4.677 -0.424 1
1 372 . 4 1 1 A 38 38 GLU CB C 38 30.415 29.694 0.721 1
1 378 . 4 1 1 A 38 38 GLU C C 38 176.470 174.538 1.932 1
1 379 . 4 1 1 A 39 39 ARG N N 39 121.782 127.262 -5.480 1
1 380 . 4 1 1 A 39 39 ARG H H 39 8.351 8.558 -0.207 1
1 381 . 4 1 1 A 39 39 ARG CA C 39 56.036 55.092 0.944 1
1 382 . 4 1 1 A 39 39 ARG HA H 39 4.315 4.567 -0.252 1
1 383 . 4 1 1 A 39 39 ARG CB C 39 30.779 30.888 -0.109 1
1 392 . 4 1 1 A 39 39 ARG C C 39 176.053 175.972 0.081 1
1 397 . 4 1 1 A 42 42 GLY CA C 42 44.643 44.007 0.636 1
1 398 . 4 1 1 A 42 42 GLY HA2 H 42 4.150 4.032 0.118 1
1 399 . 4 1 1 A 42 42 GLY HA3 H 42 4.150 4.072 0.078 1
1 400 . 4 1 1 A 43 43 PRO CA C 43 63.307 62.449 0.858 1
1 401 . 4 1 1 A 43 43 PRO HA H 43 4.501 4.490 0.011 1
1 402 . 4 1 1 A 43 43 PRO CB C 43 32.245 29.893 2.352 1
1 411 . 4 1 1 A 43 43 PRO C C 43 174.518 177.051 -2.533 1
1 412 . 4 1 1 A 44 44 SER N N 44 116.564 113.553 3.011 1
1 413 . 4 1 1 A 44 44 SER H H 44 8.531 8.562 -0.031 1
1 414 . 4 1 1 A 44 44 SER CA C 44 58.000 58.978 -0.978 1
1 1 . 5 1 1 A 7 7 GLY CA C 7 45.443 45.595 -0.152 1
1 2 . 5 1 1 A 7 7 GLY HA2 H 7 4.001 4.214 -0.213 1
1 3 . 5 1 1 A 7 7 GLY HA3 H 7 4.001 4.215 -0.214 1
1 4 . 5 1 1 A 7 7 GLY C C 7 174.517 171.659 2.858 1
1 5 . 5 1 1 A 8 8 THR N N 8 112.810 116.358 -3.548 1
1 6 . 5 1 1 A 8 8 THR H H 8 8.114 8.574 -0.460 1
1 7 . 5 1 1 A 8 8 THR CA C 8 61.946 63.077 -1.131 1
1 8 . 5 1 1 A 8 8 THR HA H 8 4.359 4.369 -0.010 1
1 9 . 5 1 1 A 8 8 THR CB C 8 69.788 68.022 1.766 1
1 15 . 5 1 1 A 8 8 THR C C 8 175.261 174.674 0.587 1
1 16 . 5 1 1 A 9 9 GLY CA C 9 45.194 46.728 -1.534 1
1 17 . 5 1 1 A 9 9 GLY HA2 H 9 3.934 3.773 0.161 1
1 18 . 5 1 1 A 9 9 GLY HA3 H 9 3.934 3.773 0.161 1
1 19 . 5 1 1 A 10 10 GLU N N 10 120.417 114.841 5.576 1
1 20 . 5 1 1 A 10 10 GLU H H 10 8.163 7.927 0.236 1
1 21 . 5 1 1 A 10 10 GLU CA C 10 56.630 57.318 -0.688 1
1 22 . 5 1 1 A 10 10 GLU HA H 10 4.157 3.875 0.282 1
1 23 . 5 1 1 A 10 10 GLU CB C 10 30.424 27.489 2.935 1
1 28 . 5 1 1 A 10 10 GLU C C 10 176.283 175.005 1.278 1
1 29 . 5 1 1 A 11 11 LYS N N 11 122.818 115.602 7.216 1
1 30 . 5 1 1 A 11 11 LYS H H 11 8.319 7.872 0.447 1
1 31 . 5 1 1 A 11 11 LYS CA C 11 54.069 53.505 0.564 1
1 32 . 5 1 1 A 11 11 LYS HA H 11 4.416 4.734 -0.318 1
1 33 . 5 1 1 A 11 11 LYS CB C 11 32.659 32.550 0.109 1
1 45 . 5 1 1 A 11 11 LYS C C 11 174.368 176.398 -2.030 1
1 46 . 5 1 1 A 12 12 PRO CA C 12 63.821 63.916 -0.095 1
1 47 . 5 1 1 A 12 12 PRO HA H 12 4.190 4.455 -0.265 1
1 48 . 5 1 1 A 12 12 PRO CB C 12 32.246 31.397 0.849 1
1 57 . 5 1 1 A 12 12 PRO C C 12 176.504 175.803 0.701 1
1 58 . 5 1 1 A 13 13 TYR N N 13 117.532 119.779 -2.247 1
1 59 . 5 1 1 A 13 13 TYR H H 13 7.808 7.075 0.733 1
1 60 . 5 1 1 A 13 13 TYR CA C 13 57.460 56.990 0.470 1
1 61 . 5 1 1 A 13 13 TYR HA H 13 4.723 5.061 -0.338 1
1 62 . 5 1 1 A 13 13 TYR CB C 13 38.681 40.702 -2.021 1
1 73 . 5 1 1 A 13 13 TYR C C 13 174.392 174.442 -0.050 1
1 74 . 5 1 1 A 14 14 LYS N N 14 125.155 123.957 1.198 1
1 75 . 5 1 1 A 14 14 LYS H H 14 8.658 9.145 -0.487 1
1 76 . 5 1 1 A 14 14 LYS CA C 14 55.182 54.550 0.632 1
1 77 . 5 1 1 A 14 14 LYS HA H 14 4.897 5.616 -0.719 1
1 78 . 5 1 1 A 14 14 LYS CB C 14 35.362 36.423 -1.061 1
1 90 . 5 1 1 A 14 14 LYS C C 14 175.434 175.358 0.076 1
1 91 . 5 1 1 A 15 15 CYS N N 15 127.487 125.793 1.694 1
1 92 . 5 1 1 A 15 15 CYS H H 15 9.257 9.168 0.089 1
1 93 . 5 1 1 A 15 15 CYS CA C 15 59.645 59.079 0.566 1
1 94 . 5 1 1 A 15 15 CYS HA H 15 4.552 4.674 -0.122 1
1 95 . 5 1 1 A 15 15 CYS CB C 15 29.714 28.383 1.331 1
1 98 . 5 1 1 A 15 15 CYS C C 15 177.361 175.896 1.465 1
1 99 . 5 1 1 A 16 16 SER CA C 16 61.056 61.208 -0.152 1
1 100 . 5 1 1 A 16 16 SER HA H 16 4.265 4.223 0.042 1
1 101 . 5 1 1 A 16 16 SER CB C 16 63.129 62.853 0.276 1
1 104 . 5 1 1 A 16 16 SER C C 16 174.425 176.129 -1.704 1
1 105 . 5 1 1 A 17 17 ASP N N 17 122.836 121.449 1.387 1
1 106 . 5 1 1 A 17 17 ASP H H 17 8.675 8.419 0.256 1
1 107 . 5 1 1 A 17 17 ASP CA C 17 56.882 57.590 -0.708 1
1 108 . 5 1 1 A 17 17 ASP HA H 17 4.573 4.205 0.368 1
1 109 . 5 1 1 A 17 17 ASP CB C 17 41.393 41.506 -0.113 1
1 112 . 5 1 1 A 17 17 ASP C C 17 176.693 177.476 -0.783 1
1 113 . 5 1 1 A 18 18 CYS N N 18 114.845 114.503 0.342 1
1 114 . 5 1 1 A 18 18 CYS H H 18 7.871 7.681 0.190 1
1 115 . 5 1 1 A 18 18 CYS CA C 18 58.669 59.685 -1.016 1
1 116 . 5 1 1 A 18 18 CYS HA H 18 5.149 4.612 0.537 1
1 117 . 5 1 1 A 18 18 CYS CB C 18 32.360 29.943 2.417 1
1 120 . 5 1 1 A 18 18 CYS C C 18 176.087 175.376 0.711 1
1 121 . 5 1 1 A 19 19 GLY N N 19 112.703 109.900 2.803 1
1 122 . 5 1 1 A 19 19 GLY H H 19 8.234 7.851 0.383 1
1 123 . 5 1 1 A 19 19 GLY CA C 19 46.239 45.580 0.659 1
1 124 . 5 1 1 A 19 19 GLY HA2 H 19 3.805 4.095 -0.290 1
1 125 . 5 1 1 A 19 19 GLY HA3 H 19 4.261 4.117 0.144 1
1 126 . 5 1 1 A 19 19 GLY C C 19 173.775 174.118 -0.343 1
1 127 . 5 1 1 A 20 20 LYS N N 20 123.389 119.425 3.964 1
1 128 . 5 1 1 A 20 20 LYS H H 20 8.104 7.894 0.210 1
1 129 . 5 1 1 A 20 20 LYS CA C 20 58.247 54.418 3.829 1
1 130 . 5 1 1 A 20 20 LYS HA H 20 4.062 4.710 -0.648 1
1 131 . 5 1 1 A 20 20 LYS CB C 20 33.784 34.643 -0.859 1
1 143 . 5 1 1 A 20 20 LYS C C 20 174.521 175.137 -0.616 1
1 144 . 5 1 1 A 21 21 SER N N 21 115.758 112.349 3.409 1
1 145 . 5 1 1 A 21 21 SER H H 21 7.892 8.805 -0.913 1
1 146 . 5 1 1 A 21 21 SER CA C 21 57.156 56.433 0.723 1
1 147 . 5 1 1 A 21 21 SER HA H 21 5.346 5.700 -0.354 1
1 148 . 5 1 1 A 21 21 SER CB C 21 65.985 65.737 0.248 1
1 151 . 5 1 1 A 21 21 SER C C 21 172.978 173.126 -0.148 1
1 152 . 5 1 1 A 22 22 PHE N N 22 117.880 121.016 -3.136 1
1 153 . 5 1 1 A 22 22 PHE H H 22 8.858 9.353 -0.495 1
1 154 . 5 1 1 A 22 22 PHE CA C 22 57.670 56.513 1.157 1
1 155 . 5 1 1 A 22 22 PHE HA H 22 4.809 4.935 -0.126 1
1 156 . 5 1 1 A 22 22 PHE CB C 22 43.763 42.396 1.367 1
1 169 . 5 1 1 A 22 22 PHE C C 22 175.046 175.809 -0.763 1
1 170 . 5 1 1 A 23 23 THR N N 23 119.545 115.984 3.561 1
1 171 . 5 1 1 A 23 23 THR H H 23 9.181 8.604 0.577 1
1 172 . 5 1 1 A 23 23 THR CA C 23 65.464 64.527 0.937 1
1 173 . 5 1 1 A 23 23 THR HA H 23 4.093 4.333 -0.240 1
1 174 . 5 1 1 A 23 23 THR CB C 23 69.486 69.461 0.025 1
1 180 . 5 1 1 A 23 23 THR C C 23 173.355 174.504 -1.149 1
1 181 . 5 1 1 A 24 24 TRP N N 24 117.211 119.223 -2.012 1
1 182 . 5 1 1 A 24 24 TRP H H 24 7.379 8.008 -0.629 1
1 183 . 5 1 1 A 24 24 TRP CA C 24 55.014 56.562 -1.548 1
1 184 . 5 1 1 A 24 24 TRP HA H 24 5.262 4.825 0.437 1
1 185 . 5 1 1 A 24 24 TRP CB C 24 32.074 31.178 0.896 1
1 200 . 5 1 1 A 24 24 TRP C C 24 176.715 176.589 0.126 1
1 201 . 5 1 1 A 25 25 LYS N N 25 128.489 124.652 3.837 1
1 202 . 5 1 1 A 25 25 LYS H H 25 8.898 8.544 0.354 1
1 203 . 5 1 1 A 25 25 LYS CA C 25 59.794 59.457 0.337 1
1 204 . 5 1 1 A 25 25 LYS HA H 25 3.170 3.083 0.087 1
1 205 . 5 1 1 A 25 25 LYS CB C 25 31.754 32.268 -0.514 1
1 217 . 5 1 1 A 25 25 LYS C C 25 178.478 178.162 0.316 1
1 218 . 5 1 1 A 26 26 SER CA C 26 60.740 61.592 -0.852 1
1 219 . 5 1 1 A 26 26 SER HA H 26 4.015 4.028 -0.013 1
1 220 . 5 1 1 A 26 26 SER CB C 26 61.524 63.038 -1.514 1
1 223 . 5 1 1 A 26 26 SER C C 26 176.918 177.245 -0.327 1
1 224 . 5 1 1 A 27 27 ARG N N 27 120.638 121.193 -0.555 1
1 225 . 5 1 1 A 27 27 ARG H H 27 6.893 8.084 -1.191 1
1 226 . 5 1 1 A 27 27 ARG CA C 27 57.881 59.370 -1.489 1
1 227 . 5 1 1 A 27 27 ARG HA H 27 4.093 3.929 0.164 1
1 228 . 5 1 1 A 27 27 ARG CB C 27 29.682 30.028 -0.346 1
1 237 . 5 1 1 A 27 27 ARG C C 27 178.625 178.552 0.073 1
1 238 . 5 1 1 A 28 28 LEU N N 28 122.539 121.445 1.094 1
1 239 . 5 1 1 A 28 28 LEU H H 28 7.143 7.925 -0.782 1
1 240 . 5 1 1 A 28 28 LEU CA C 28 57.892 57.636 0.256 1
1 241 . 5 1 1 A 28 28 LEU HA H 28 3.096 2.907 0.189 1
1 242 . 5 1 1 A 28 28 LEU CB C 28 40.043 41.213 -1.170 1
1 255 . 5 1 1 A 28 28 LEU C C 28 177.418 178.136 -0.718 1
1 256 . 5 1 1 A 29 29 ARG N N 29 117.943 117.655 0.288 1
1 257 . 5 1 1 A 29 29 ARG H H 29 8.015 7.887 0.128 1
1 258 . 5 1 1 A 29 29 ARG CA C 29 59.184 59.645 -0.461 1
1 259 . 5 1 1 A 29 29 ARG HA H 29 4.125 3.927 0.198 1
1 260 . 5 1 1 A 29 29 ARG CB C 29 29.612 29.997 -0.385 1
1 269 . 5 1 1 A 29 29 ARG C C 29 179.325 178.879 0.446 1
1 270 . 5 1 1 A 30 30 ILE N N 30 118.338 120.358 -2.020 1
1 271 . 5 1 1 A 30 30 ILE H H 30 7.320 8.030 -0.710 1
1 272 . 5 1 1 A 30 30 ILE CA C 30 64.473 64.707 -0.234 1
1 273 . 5 1 1 A 30 30 ILE HA H 30 3.688 3.738 -0.050 1
1 274 . 5 1 1 A 30 30 ILE CB C 30 38.505 37.283 1.222 1
1 287 . 5 1 1 A 30 30 ILE C C 30 178.655 178.430 0.225 1
1 288 . 5 1 1 A 31 31 HIS N N 31 120.313 119.880 0.433 1
1 289 . 5 1 1 A 31 31 HIS H H 31 7.695 8.066 -0.371 1
1 290 . 5 1 1 A 31 31 HIS CA C 31 59.398 59.705 -0.307 1
1 291 . 5 1 1 A 31 31 HIS HA H 31 4.270 4.210 0.060 1
1 292 . 5 1 1 A 31 31 HIS CB C 31 28.465 29.934 -1.469 1
1 299 . 5 1 1 A 31 31 HIS C C 31 177.067 176.565 0.502 1
1 300 . 5 1 1 A 32 32 GLN N N 32 116.561 117.374 -0.813 1
1 301 . 5 1 1 A 32 32 GLN H H 32 8.559 8.169 0.390 1
1 302 . 5 1 1 A 32 32 GLN CA C 32 59.534 59.251 0.283 1
1 303 . 5 1 1 A 32 32 GLN HA H 32 3.729 3.828 -0.099 1
1 304 . 5 1 1 A 32 32 GLN CB C 32 28.512 28.351 0.161 1
1 313 . 5 1 1 A 32 32 GLN C C 32 177.525 178.060 -0.535 1
1 314 . 5 1 1 A 33 33 LYS N N 33 118.421 118.211 0.210 1
1 315 . 5 1 1 A 33 33 LYS H H 33 7.242 7.666 -0.424 1
1 316 . 5 1 1 A 33 33 LYS CA C 33 58.469 59.009 -0.540 1
1 317 . 5 1 1 A 33 33 LYS HA H 33 4.133 4.020 0.113 1
1 318 . 5 1 1 A 33 33 LYS CB C 33 32.009 32.375 -0.366 1
1 330 . 5 1 1 A 33 33 LYS C C 33 178.287 178.506 -0.219 1
1 331 . 5 1 1 A 34 34 CYS N N 34 115.499 118.759 -3.260 1
1 332 . 5 1 1 A 34 34 CYS H H 34 7.930 7.911 0.019 1
1 333 . 5 1 1 A 34 34 CYS CA C 34 60.410 62.928 -2.518 1
1 334 . 5 1 1 A 34 34 CYS HA H 34 4.349 3.930 0.419 1
1 335 . 5 1 1 A 34 34 CYS CB C 34 26.603 26.970 -0.367 1
1 338 . 5 1 1 A 34 34 CYS C C 34 175.397 175.800 -0.403 1
1 339 . 5 1 1 A 35 35 HIS N N 35 119.063 117.181 1.882 1
1 340 . 5 1 1 A 35 35 HIS H H 35 7.391 7.344 0.047 1
1 341 . 5 1 1 A 35 35 HIS CA C 35 55.026 55.938 -0.912 1
1 342 . 5 1 1 A 35 35 HIS HA H 35 4.926 4.354 0.572 1
1 343 . 5 1 1 A 35 35 HIS CB C 35 28.797 29.155 -0.358 1
1 350 . 5 1 1 A 35 35 HIS C C 35 175.409 175.830 -0.421 1
1 351 . 5 1 1 A 36 36 THR N N 36 112.789 113.492 -0.703 1
1 352 . 5 1 1 A 36 36 THR H H 36 7.775 8.439 -0.664 1
1 353 . 5 1 1 A 36 36 THR CA C 36 62.596 60.188 2.408 1
1 354 . 5 1 1 A 36 36 THR HA H 36 4.358 4.630 -0.272 1
1 355 . 5 1 1 A 36 36 THR CB C 36 69.874 68.488 1.386 1
1 361 . 5 1 1 A 36 36 THR C C 36 175.265 174.525 0.740 1
1 362 . 5 1 1 A 37 37 GLY N N 37 110.969 110.844 0.125 1
1 363 . 5 1 1 A 37 37 GLY H H 37 8.409 8.422 -0.013 1
1 364 . 5 1 1 A 37 37 GLY CA C 37 45.427 44.010 1.417 1
1 365 . 5 1 1 A 37 37 GLY HA2 H 37 4.036 4.185 -0.149 1
1 366 . 5 1 1 A 37 37 GLY HA3 H 37 3.983 4.197 -0.214 1
1 367 . 5 1 1 A 37 37 GLY C C 37 173.997 172.218 1.779 1
1 368 . 5 1 1 A 38 38 GLU N N 38 120.635 122.015 -1.380 1
1 369 . 5 1 1 A 38 38 GLU H H 38 8.171 8.617 -0.446 1
1 370 . 5 1 1 A 38 38 GLU CA C 38 56.637 55.189 1.448 1
1 371 . 5 1 1 A 38 38 GLU HA H 38 4.253 4.706 -0.453 1
1 372 . 5 1 1 A 38 38 GLU CB C 38 30.415 30.137 0.278 1
1 378 . 5 1 1 A 38 38 GLU C C 38 176.470 175.130 1.340 1
1 379 . 5 1 1 A 39 39 ARG N N 39 121.782 125.192 -3.410 1
1 380 . 5 1 1 A 39 39 ARG H H 39 8.351 8.218 0.133 1
1 381 . 5 1 1 A 39 39 ARG CA C 39 56.036 55.654 0.382 1
1 382 . 5 1 1 A 39 39 ARG HA H 39 4.315 4.587 -0.272 1
1 383 . 5 1 1 A 39 39 ARG CB C 39 30.779 32.690 -1.911 1
1 392 . 5 1 1 A 39 39 ARG C C 39 176.053 175.486 0.567 1
1 397 . 5 1 1 A 42 42 GLY CA C 42 44.643 46.719 -2.076 1
1 398 . 5 1 1 A 42 42 GLY HA2 H 42 4.150 3.765 0.385 1
1 399 . 5 1 1 A 42 42 GLY HA3 H 42 4.150 3.823 0.327 1
1 400 . 5 1 1 A 43 43 PRO CA C 43 63.307 62.667 0.640 1
1 401 . 5 1 1 A 43 43 PRO HA H 43 4.501 4.595 -0.094 1
1 402 . 5 1 1 A 43 43 PRO CB C 43 32.245 32.735 -0.490 1
1 411 . 5 1 1 A 43 43 PRO C C 43 174.518 175.399 -0.881 1
1 412 . 5 1 1 A 44 44 SER N N 44 116.564 116.202 0.362 1
1 413 . 5 1 1 A 44 44 SER H H 44 8.531 8.577 -0.046 1
1 414 . 5 1 1 A 44 44 SER CA C 44 58.000 56.465 1.535 1
1 1 . 6 1 1 A 7 7 GLY CA C 7 45.443 44.927 0.516 1
1 2 . 6 1 1 A 7 7 GLY HA2 H 7 4.001 4.260 -0.259 1
1 3 . 6 1 1 A 7 7 GLY HA3 H 7 4.001 4.260 -0.259 1
1 4 . 6 1 1 A 7 7 GLY C C 7 174.517 174.784 -0.267 1
1 5 . 6 1 1 A 8 8 THR N N 8 112.810 115.512 -2.702 1
1 6 . 6 1 1 A 8 8 THR H H 8 8.114 8.545 -0.431 1
1 7 . 6 1 1 A 8 8 THR CA C 8 61.946 63.427 -1.481 1
1 8 . 6 1 1 A 8 8 THR HA H 8 4.359 4.211 0.148 1
1 9 . 6 1 1 A 8 8 THR CB C 8 69.788 69.607 0.181 1
1 15 . 6 1 1 A 8 8 THR C C 8 175.261 175.253 0.008 1
1 16 . 6 1 1 A 9 9 GLY CA C 9 45.194 45.058 0.136 1
1 17 . 6 1 1 A 9 9 GLY HA2 H 9 3.934 4.061 -0.127 1
1 18 . 6 1 1 A 9 9 GLY HA3 H 9 3.934 4.068 -0.134 1
1 19 . 6 1 1 A 10 10 GLU N N 10 120.417 122.117 -1.700 1
1 20 . 6 1 1 A 10 10 GLU H H 10 8.163 8.589 -0.426 1
1 21 . 6 1 1 A 10 10 GLU CA C 10 56.630 59.290 -2.660 1
1 22 . 6 1 1 A 10 10 GLU HA H 10 4.157 4.140 0.017 1
1 23 . 6 1 1 A 10 10 GLU CB C 10 30.424 29.467 0.957 1
1 28 . 6 1 1 A 10 10 GLU C C 10 176.283 177.099 -0.816 1
1 29 . 6 1 1 A 11 11 LYS N N 11 122.818 118.498 4.320 1
1 30 . 6 1 1 A 11 11 LYS H H 11 8.319 7.601 0.718 1
1 31 . 6 1 1 A 11 11 LYS CA C 11 54.069 55.593 -1.524 1
1 32 . 6 1 1 A 11 11 LYS HA H 11 4.416 4.410 0.006 1
1 33 . 6 1 1 A 11 11 LYS CB C 11 32.659 32.642 0.017 1
1 45 . 6 1 1 A 11 11 LYS C C 11 174.368 176.733 -2.365 1
1 46 . 6 1 1 A 12 12 PRO CA C 12 63.821 63.756 0.065 1
1 47 . 6 1 1 A 12 12 PRO HA H 12 4.190 4.256 -0.066 1
1 48 . 6 1 1 A 12 12 PRO CB C 12 32.246 31.152 1.094 1
1 57 . 6 1 1 A 12 12 PRO C C 12 176.504 175.428 1.076 1
1 58 . 6 1 1 A 13 13 TYR N N 13 117.532 119.144 -1.612 1
1 59 . 6 1 1 A 13 13 TYR H H 13 7.808 7.408 0.400 1
1 60 . 6 1 1 A 13 13 TYR CA C 13 57.460 56.832 0.628 1
1 61 . 6 1 1 A 13 13 TYR HA H 13 4.723 5.414 -0.691 1
1 62 . 6 1 1 A 13 13 TYR CB C 13 38.681 42.546 -3.865 1
1 73 . 6 1 1 A 13 13 TYR C C 13 174.392 174.485 -0.093 1
1 74 . 6 1 1 A 14 14 LYS N N 14 125.155 123.561 1.594 1
1 75 . 6 1 1 A 14 14 LYS H H 14 8.658 8.902 -0.244 1
1 76 . 6 1 1 A 14 14 LYS CA C 14 55.182 55.683 -0.501 1
1 77 . 6 1 1 A 14 14 LYS HA H 14 4.897 4.937 -0.040 1
1 78 . 6 1 1 A 14 14 LYS CB C 14 35.362 35.829 -0.467 1
1 90 . 6 1 1 A 14 14 LYS C C 14 175.434 175.055 0.379 1
1 91 . 6 1 1 A 15 15 CYS N N 15 127.487 126.009 1.478 1
1 92 . 6 1 1 A 15 15 CYS H H 15 9.257 8.843 0.414 1
1 93 . 6 1 1 A 15 15 CYS CA C 15 59.645 60.454 -0.809 1
1 94 . 6 1 1 A 15 15 CYS HA H 15 4.552 4.484 0.068 1
1 95 . 6 1 1 A 15 15 CYS CB C 15 29.714 29.144 0.570 1
1 98 . 6 1 1 A 15 15 CYS C C 15 177.361 176.091 1.270 1
1 99 . 6 1 1 A 16 16 SER CA C 16 61.056 60.969 0.087 1
1 100 . 6 1 1 A 16 16 SER HA H 16 4.265 4.367 -0.102 1
1 101 . 6 1 1 A 16 16 SER CB C 16 63.129 63.482 -0.353 1
1 104 . 6 1 1 A 16 16 SER C C 16 174.425 176.324 -1.899 1
1 105 . 6 1 1 A 17 17 ASP N N 17 122.836 121.715 1.121 1
1 106 . 6 1 1 A 17 17 ASP H H 17 8.675 8.332 0.343 1
1 107 . 6 1 1 A 17 17 ASP CA C 17 56.882 57.354 -0.472 1
1 108 . 6 1 1 A 17 17 ASP HA H 17 4.573 4.342 0.231 1
1 109 . 6 1 1 A 17 17 ASP CB C 17 41.393 40.172 1.221 1
1 112 . 6 1 1 A 17 17 ASP C C 17 176.693 177.814 -1.121 1
1 113 . 6 1 1 A 18 18 CYS N N 18 114.845 113.992 0.853 1
1 114 . 6 1 1 A 18 18 CYS H H 18 7.871 7.666 0.205 1
1 115 . 6 1 1 A 18 18 CYS CA C 18 58.669 59.833 -1.164 1
1 116 . 6 1 1 A 18 18 CYS HA H 18 5.149 4.784 0.365 1
1 117 . 6 1 1 A 18 18 CYS CB C 18 32.360 29.990 2.370 1
1 120 . 6 1 1 A 18 18 CYS C C 18 176.087 175.541 0.546 1
1 121 . 6 1 1 A 19 19 GLY N N 19 112.703 109.791 2.912 1
1 122 . 6 1 1 A 19 19 GLY H H 19 8.234 7.966 0.268 1
1 123 . 6 1 1 A 19 19 GLY CA C 19 46.239 45.010 1.229 1
1 124 . 6 1 1 A 19 19 GLY HA2 H 19 3.805 4.095 -0.290 1
1 125 . 6 1 1 A 19 19 GLY HA3 H 19 4.261 4.108 0.153 1
1 126 . 6 1 1 A 19 19 GLY C C 19 173.775 174.688 -0.913 1
1 127 . 6 1 1 A 20 20 LYS N N 20 123.389 120.684 2.705 1
1 128 . 6 1 1 A 20 20 LYS H H 20 8.104 7.177 0.927 1
1 129 . 6 1 1 A 20 20 LYS CA C 20 58.247 55.966 2.281 1
1 130 . 6 1 1 A 20 20 LYS HA H 20 4.062 4.218 -0.156 1
1 131 . 6 1 1 A 20 20 LYS CB C 20 33.784 34.098 -0.314 1
1 143 . 6 1 1 A 20 20 LYS C C 20 174.521 175.301 -0.780 1
1 144 . 6 1 1 A 21 21 SER N N 21 115.758 112.038 3.720 1
1 145 . 6 1 1 A 21 21 SER H H 21 7.892 8.063 -0.171 1
1 146 . 6 1 1 A 21 21 SER CA C 21 57.156 56.517 0.639 1
1 147 . 6 1 1 A 21 21 SER HA H 21 5.346 5.204 0.142 1
1 148 . 6 1 1 A 21 21 SER CB C 21 65.985 66.477 -0.492 1
1 151 . 6 1 1 A 21 21 SER C C 21 172.978 172.715 0.263 1
1 152 . 6 1 1 A 22 22 PHE N N 22 117.880 118.414 -0.534 1
1 153 . 6 1 1 A 22 22 PHE H H 22 8.858 8.482 0.376 1
1 154 . 6 1 1 A 22 22 PHE CA C 22 57.670 56.710 0.960 1
1 155 . 6 1 1 A 22 22 PHE HA H 22 4.809 4.938 -0.129 1
1 156 . 6 1 1 A 22 22 PHE CB C 22 43.763 42.985 0.778 1
1 169 . 6 1 1 A 22 22 PHE C C 22 175.046 175.610 -0.564 1
1 170 . 6 1 1 A 23 23 THR N N 23 119.545 115.407 4.138 1
1 171 . 6 1 1 A 23 23 THR H H 23 9.181 8.809 0.372 1
1 172 . 6 1 1 A 23 23 THR CA C 23 65.464 64.015 1.449 1
1 173 . 6 1 1 A 23 23 THR HA H 23 4.093 4.492 -0.399 1
1 174 . 6 1 1 A 23 23 THR CB C 23 69.486 69.444 0.042 1
1 180 . 6 1 1 A 23 23 THR C C 23 173.355 174.563 -1.208 1
1 181 . 6 1 1 A 24 24 TRP N N 24 117.211 119.454 -2.243 1
1 182 . 6 1 1 A 24 24 TRP H H 24 7.379 8.037 -0.658 1
1 183 . 6 1 1 A 24 24 TRP CA C 24 55.014 56.441 -1.427 1
1 184 . 6 1 1 A 24 24 TRP HA H 24 5.262 5.020 0.242 1
1 185 . 6 1 1 A 24 24 TRP CB C 24 32.074 31.324 0.750 1
1 200 . 6 1 1 A 24 24 TRP C C 24 176.715 176.607 0.108 1
1 201 . 6 1 1 A 25 25 LYS N N 25 128.489 125.003 3.486 1
1 202 . 6 1 1 A 25 25 LYS H H 25 8.898 8.857 0.041 1
1 203 . 6 1 1 A 25 25 LYS CA C 25 59.794 59.627 0.167 1
1 204 . 6 1 1 A 25 25 LYS HA H 25 3.170 3.066 0.104 1
1 205 . 6 1 1 A 25 25 LYS CB C 25 31.754 32.355 -0.601 1
1 217 . 6 1 1 A 25 25 LYS C C 25 178.478 178.098 0.380 1
1 218 . 6 1 1 A 26 26 SER CA C 26 60.740 61.588 -0.848 1
1 219 . 6 1 1 A 26 26 SER HA H 26 4.015 4.033 -0.018 1
1 220 . 6 1 1 A 26 26 SER CB C 26 61.524 63.004 -1.480 1
1 223 . 6 1 1 A 26 26 SER C C 26 176.918 177.178 -0.260 1
1 224 . 6 1 1 A 27 27 ARG N N 27 120.638 121.107 -0.469 1
1 225 . 6 1 1 A 27 27 ARG H H 27 6.893 8.058 -1.165 1
1 226 . 6 1 1 A 27 27 ARG CA C 27 57.881 59.522 -1.641 1
1 227 . 6 1 1 A 27 27 ARG HA H 27 4.093 3.937 0.156 1
1 228 . 6 1 1 A 27 27 ARG CB C 27 29.682 30.135 -0.453 1
1 237 . 6 1 1 A 27 27 ARG C C 27 178.625 178.481 0.144 1
1 238 . 6 1 1 A 28 28 LEU N N 28 122.539 121.462 1.077 1
1 239 . 6 1 1 A 28 28 LEU H H 28 7.143 7.716 -0.573 1
1 240 . 6 1 1 A 28 28 LEU CA C 28 57.892 57.533 0.359 1
1 241 . 6 1 1 A 28 28 LEU HA H 28 3.096 2.360 0.736 1
1 242 . 6 1 1 A 28 28 LEU CB C 28 40.043 41.056 -1.013 1
1 255 . 6 1 1 A 28 28 LEU C C 28 177.418 178.090 -0.672 1
1 256 . 6 1 1 A 29 29 ARG N N 29 117.943 117.578 0.365 1
1 257 . 6 1 1 A 29 29 ARG H H 29 8.015 7.869 0.146 1
1 258 . 6 1 1 A 29 29 ARG CA C 29 59.184 59.569 -0.385 1
1 259 . 6 1 1 A 29 29 ARG HA H 29 4.125 3.900 0.225 1
1 260 . 6 1 1 A 29 29 ARG CB C 29 29.612 30.015 -0.403 1
1 269 . 6 1 1 A 29 29 ARG C C 29 179.325 178.770 0.555 1
1 270 . 6 1 1 A 30 30 ILE N N 30 118.338 120.430 -2.092 1
1 271 . 6 1 1 A 30 30 ILE H H 30 7.320 7.956 -0.636 1
1 272 . 6 1 1 A 30 30 ILE CA C 30 64.473 65.008 -0.535 1
1 273 . 6 1 1 A 30 30 ILE HA H 30 3.688 3.641 0.047 1
1 274 . 6 1 1 A 30 30 ILE CB C 30 38.505 37.684 0.821 1
1 287 . 6 1 1 A 30 30 ILE C C 30 178.655 178.526 0.129 1
1 288 . 6 1 1 A 31 31 HIS N N 31 120.313 119.960 0.353 1
1 289 . 6 1 1 A 31 31 HIS H H 31 7.695 8.170 -0.475 1
1 290 . 6 1 1 A 31 31 HIS CA C 31 59.398 60.073 -0.675 1
1 291 . 6 1 1 A 31 31 HIS HA H 31 4.270 4.183 0.087 1
1 292 . 6 1 1 A 31 31 HIS CB C 31 28.465 29.989 -1.524 1
1 299 . 6 1 1 A 31 31 HIS C C 31 177.067 176.553 0.514 1
1 300 . 6 1 1 A 32 32 GLN N N 32 116.561 117.472 -0.911 1
1 301 . 6 1 1 A 32 32 GLN H H 32 8.559 7.953 0.606 1
1 302 . 6 1 1 A 32 32 GLN CA C 32 59.534 59.288 0.246 1
1 303 . 6 1 1 A 32 32 GLN HA H 32 3.729 3.844 -0.115 1
1 304 . 6 1 1 A 32 32 GLN CB C 32 28.512 28.297 0.215 1
1 313 . 6 1 1 A 32 32 GLN C C 32 177.525 178.763 -1.238 1
1 314 . 6 1 1 A 33 33 LYS N N 33 118.421 118.975 -0.554 1
1 315 . 6 1 1 A 33 33 LYS H H 33 7.242 7.708 -0.466 1
1 316 . 6 1 1 A 33 33 LYS CA C 33 58.469 59.435 -0.966 1
1 317 . 6 1 1 A 33 33 LYS HA H 33 4.133 3.965 0.168 1
1 318 . 6 1 1 A 33 33 LYS CB C 33 32.009 32.251 -0.242 1
1 330 . 6 1 1 A 33 33 LYS C C 33 178.287 178.805 -0.518 1
1 331 . 6 1 1 A 34 34 CYS N N 34 115.499 118.927 -3.428 1
1 332 . 6 1 1 A 34 34 CYS H H 34 7.930 8.163 -0.233 1
1 333 . 6 1 1 A 34 34 CYS CA C 34 60.410 62.758 -2.348 1
1 334 . 6 1 1 A 34 34 CYS HA H 34 4.349 3.866 0.483 1
1 335 . 6 1 1 A 34 34 CYS CB C 34 26.603 26.252 0.351 1
1 338 . 6 1 1 A 34 34 CYS C C 34 175.397 177.442 -2.045 1
1 339 . 6 1 1 A 35 35 HIS N N 35 119.063 119.366 -0.303 1
1 340 . 6 1 1 A 35 35 HIS H H 35 7.391 7.616 -0.225 1
1 341 . 6 1 1 A 35 35 HIS CA C 35 55.026 58.705 -3.679 1
1 342 . 6 1 1 A 35 35 HIS HA H 35 4.926 4.264 0.662 1
1 343 . 6 1 1 A 35 35 HIS CB C 35 28.797 29.822 -1.025 1
1 350 . 6 1 1 A 35 35 HIS C C 35 175.409 175.820 -0.411 1
1 351 . 6 1 1 A 36 36 THR N N 36 112.789 107.188 5.601 1
1 352 . 6 1 1 A 36 36 THR H H 36 7.775 7.365 0.410 1
1 353 . 6 1 1 A 36 36 THR CA C 36 62.596 62.336 0.260 1
1 354 . 6 1 1 A 36 36 THR HA H 36 4.358 4.309 0.049 1
1 355 . 6 1 1 A 36 36 THR CB C 36 69.874 68.957 0.917 1
1 361 . 6 1 1 A 36 36 THR C C 36 175.265 174.302 0.963 1
1 362 . 6 1 1 A 37 37 GLY N N 37 110.969 112.311 -1.342 1
1 363 . 6 1 1 A 37 37 GLY H H 37 8.409 8.424 -0.015 1
1 364 . 6 1 1 A 37 37 GLY CA C 37 45.427 46.075 -0.648 1
1 365 . 6 1 1 A 37 37 GLY HA2 H 37 4.036 4.137 -0.101 1
1 366 . 6 1 1 A 37 37 GLY HA3 H 37 3.983 4.149 -0.166 1
1 367 . 6 1 1 A 37 37 GLY C C 37 173.997 173.295 0.702 1
1 368 . 6 1 1 A 38 38 GLU N N 38 120.635 125.854 -5.219 1
1 369 . 6 1 1 A 38 38 GLU H H 38 8.171 8.392 -0.221 1
1 370 . 6 1 1 A 38 38 GLU CA C 38 56.637 55.169 1.468 1
1 371 . 6 1 1 A 38 38 GLU HA H 38 4.253 4.497 -0.244 1
1 372 . 6 1 1 A 38 38 GLU CB C 38 30.415 28.683 1.732 1
1 378 . 6 1 1 A 38 38 GLU C C 38 176.470 175.563 0.907 1
1 379 . 6 1 1 A 39 39 ARG N N 39 121.782 123.010 -1.228 1
1 380 . 6 1 1 A 39 39 ARG H H 39 8.351 7.522 0.829 1
1 381 . 6 1 1 A 39 39 ARG CA C 39 56.036 56.433 -0.397 1
1 382 . 6 1 1 A 39 39 ARG HA H 39 4.315 4.192 0.123 1
1 383 . 6 1 1 A 39 39 ARG CB C 39 30.779 30.831 -0.052 1
1 392 . 6 1 1 A 39 39 ARG C C 39 176.053 175.643 0.410 1
1 397 . 6 1 1 A 42 42 GLY CA C 42 44.643 44.070 0.573 1
1 398 . 6 1 1 A 42 42 GLY HA2 H 42 4.150 4.125 0.025 1
1 399 . 6 1 1 A 42 42 GLY HA3 H 42 4.150 4.127 0.023 1
1 400 . 6 1 1 A 43 43 PRO CA C 43 63.307 63.823 -0.516 1
1 401 . 6 1 1 A 43 43 PRO HA H 43 4.501 4.588 -0.087 1
1 402 . 6 1 1 A 43 43 PRO CB C 43 32.245 31.905 0.340 1
1 411 . 6 1 1 A 43 43 PRO C C 43 174.518 176.299 -1.781 1
1 412 . 6 1 1 A 44 44 SER N N 44 116.564 115.954 0.610 1
1 413 . 6 1 1 A 44 44 SER H H 44 8.531 7.871 0.660 1
1 414 . 6 1 1 A 44 44 SER CA C 44 58.000 60.577 -2.577 1
1 1 . 7 1 1 A 7 7 GLY CA C 7 45.443 45.715 -0.272 1
1 2 . 7 1 1 A 7 7 GLY HA2 H 7 4.001 4.050 -0.049 1
1 3 . 7 1 1 A 7 7 GLY HA3 H 7 4.001 4.050 -0.049 1
1 4 . 7 1 1 A 7 7 GLY C C 7 174.517 174.806 -0.289 1
1 5 . 7 1 1 A 8 8 THR N N 8 112.810 115.084 -2.274 1
1 6 . 7 1 1 A 8 8 THR H H 8 8.114 7.844 0.270 1
1 7 . 7 1 1 A 8 8 THR CA C 8 61.946 61.420 0.526 1
1 8 . 7 1 1 A 8 8 THR HA H 8 4.359 4.467 -0.108 1
1 9 . 7 1 1 A 8 8 THR CB C 8 69.788 68.474 1.314 1
1 15 . 7 1 1 A 8 8 THR C C 8 175.261 174.360 0.901 1
1 16 . 7 1 1 A 9 9 GLY CA C 9 45.194 44.729 0.465 1
1 17 . 7 1 1 A 9 9 GLY HA2 H 9 3.934 4.036 -0.102 1
1 18 . 7 1 1 A 9 9 GLY HA3 H 9 3.934 4.039 -0.105 1
1 19 . 7 1 1 A 10 10 GLU N N 10 120.417 119.652 0.765 1
1 20 . 7 1 1 A 10 10 GLU H H 10 8.163 8.661 -0.498 1
1 21 . 7 1 1 A 10 10 GLU CA C 10 56.630 54.955 1.675 1
1 22 . 7 1 1 A 10 10 GLU HA H 10 4.157 4.727 -0.570 1
1 23 . 7 1 1 A 10 10 GLU CB C 10 30.424 29.463 0.961 1
1 28 . 7 1 1 A 10 10 GLU C C 10 176.283 175.391 0.892 1
1 29 . 7 1 1 A 11 11 LYS N N 11 122.818 124.596 -1.778 1
1 30 . 7 1 1 A 11 11 LYS H H 11 8.319 8.207 0.112 1
1 31 . 7 1 1 A 11 11 LYS CA C 11 54.069 54.422 -0.353 1
1 32 . 7 1 1 A 11 11 LYS HA H 11 4.416 4.390 0.026 1
1 33 . 7 1 1 A 11 11 LYS CB C 11 32.659 31.907 0.752 1
1 45 . 7 1 1 A 11 11 LYS C C 11 174.368 176.402 -2.034 1
1 46 . 7 1 1 A 12 12 PRO CA C 12 63.821 63.783 0.038 1
1 47 . 7 1 1 A 12 12 PRO HA H 12 4.190 4.271 -0.081 1
1 48 . 7 1 1 A 12 12 PRO CB C 12 32.246 31.266 0.980 1
1 57 . 7 1 1 A 12 12 PRO C C 12 176.504 175.374 1.130 1
1 58 . 7 1 1 A 13 13 TYR N N 13 117.532 118.851 -1.319 1
1 59 . 7 1 1 A 13 13 TYR H H 13 7.808 7.494 0.314 1
1 60 . 7 1 1 A 13 13 TYR CA C 13 57.460 56.219 1.241 1
1 61 . 7 1 1 A 13 13 TYR HA H 13 4.723 5.372 -0.649 1
1 62 . 7 1 1 A 13 13 TYR CB C 13 38.681 43.224 -4.543 1
1 73 . 7 1 1 A 13 13 TYR C C 13 174.392 174.553 -0.161 1
1 74 . 7 1 1 A 14 14 LYS N N 14 125.155 121.508 3.647 1
1 75 . 7 1 1 A 14 14 LYS H H 14 8.658 8.833 -0.175 1
1 76 . 7 1 1 A 14 14 LYS CA C 14 55.182 55.353 -0.171 1
1 77 . 7 1 1 A 14 14 LYS HA H 14 4.897 5.146 -0.249 1
1 78 . 7 1 1 A 14 14 LYS CB C 14 35.362 36.299 -0.937 1
1 90 . 7 1 1 A 14 14 LYS C C 14 175.434 175.186 0.248 1
1 91 . 7 1 1 A 15 15 CYS N N 15 127.487 125.217 2.270 1
1 92 . 7 1 1 A 15 15 CYS H H 15 9.257 9.275 -0.018 1
1 93 . 7 1 1 A 15 15 CYS CA C 15 59.645 59.890 -0.245 1
1 94 . 7 1 1 A 15 15 CYS HA H 15 4.552 4.498 0.054 1
1 95 . 7 1 1 A 15 15 CYS CB C 15 29.714 28.406 1.308 1
1 98 . 7 1 1 A 15 15 CYS C C 15 177.361 175.826 1.535 1
1 99 . 7 1 1 A 16 16 SER CA C 16 61.056 57.963 3.093 1
1 100 . 7 1 1 A 16 16 SER HA H 16 4.265 4.626 -0.361 1
1 101 . 7 1 1 A 16 16 SER CB C 16 63.129 62.514 0.615 1
1 104 . 7 1 1 A 16 16 SER C C 16 174.425 174.272 0.153 1
1 105 . 7 1 1 A 17 17 ASP N N 17 122.836 122.436 0.400 1
1 106 . 7 1 1 A 17 17 ASP H H 17 8.675 8.458 0.217 1
1 107 . 7 1 1 A 17 17 ASP CA C 17 56.882 55.626 1.256 1
1 108 . 7 1 1 A 17 17 ASP HA H 17 4.573 4.904 -0.331 1
1 109 . 7 1 1 A 17 17 ASP CB C 17 41.393 43.268 -1.875 1
1 112 . 7 1 1 A 17 17 ASP C C 17 176.693 176.927 -0.234 1
1 113 . 7 1 1 A 18 18 CYS N N 18 114.845 115.493 -0.648 1
1 114 . 7 1 1 A 18 18 CYS H H 18 7.871 8.043 -0.172 1
1 115 . 7 1 1 A 18 18 CYS CA C 18 58.669 59.513 -0.844 1
1 116 . 7 1 1 A 18 18 CYS HA H 18 5.149 4.596 0.553 1
1 117 . 7 1 1 A 18 18 CYS CB C 18 32.360 29.806 2.554 1
1 120 . 7 1 1 A 18 18 CYS C C 18 176.087 175.354 0.733 1
1 121 . 7 1 1 A 19 19 GLY N N 19 112.703 110.157 2.546 1
1 122 . 7 1 1 A 19 19 GLY H H 19 8.234 8.091 0.143 1
1 123 . 7 1 1 A 19 19 GLY CA C 19 46.239 45.762 0.477 1
1 124 . 7 1 1 A 19 19 GLY HA2 H 19 3.805 4.085 -0.280 1
1 125 . 7 1 1 A 19 19 GLY HA3 H 19 4.261 4.097 0.164 1
1 126 . 7 1 1 A 19 19 GLY C C 19 173.775 174.027 -0.252 1
1 127 . 7 1 1 A 20 20 LYS N N 20 123.389 119.353 4.036 1
1 128 . 7 1 1 A 20 20 LYS H H 20 8.104 7.938 0.166 1
1 129 . 7 1 1 A 20 20 LYS CA C 20 58.247 54.214 4.033 1
1 130 . 7 1 1 A 20 20 LYS HA H 20 4.062 4.832 -0.770 1
1 131 . 7 1 1 A 20 20 LYS CB C 20 33.784 35.333 -1.549 1
1 143 . 7 1 1 A 20 20 LYS C C 20 174.521 175.533 -1.012 1
1 144 . 7 1 1 A 21 21 SER N N 21 115.758 117.561 -1.803 1
1 145 . 7 1 1 A 21 21 SER H H 21 7.892 8.604 -0.712 1
1 146 . 7 1 1 A 21 21 SER CA C 21 57.156 57.051 0.105 1
1 147 . 7 1 1 A 21 21 SER HA H 21 5.346 5.498 -0.152 1
1 148 . 7 1 1 A 21 21 SER CB C 21 65.985 64.966 1.019 1
1 151 . 7 1 1 A 21 21 SER C C 21 172.978 173.284 -0.306 1
1 152 . 7 1 1 A 22 22 PHE N N 22 117.880 123.478 -5.598 1
1 153 . 7 1 1 A 22 22 PHE H H 22 8.858 8.800 0.058 1
1 154 . 7 1 1 A 22 22 PHE CA C 22 57.670 56.479 1.191 1
1 155 . 7 1 1 A 22 22 PHE HA H 22 4.809 4.932 -0.123 1
1 156 . 7 1 1 A 22 22 PHE CB C 22 43.763 43.064 0.699 1
1 169 . 7 1 1 A 22 22 PHE C C 22 175.046 175.822 -0.776 1
1 170 . 7 1 1 A 23 23 THR N N 23 119.545 115.787 3.758 1
1 171 . 7 1 1 A 23 23 THR H H 23 9.181 8.676 0.505 1
1 172 . 7 1 1 A 23 23 THR CA C 23 65.464 64.556 0.908 1
1 173 . 7 1 1 A 23 23 THR HA H 23 4.093 4.458 -0.365 1
1 174 . 7 1 1 A 23 23 THR CB C 23 69.486 69.594 -0.108 1
1 180 . 7 1 1 A 23 23 THR C C 23 173.355 174.834 -1.479 1
1 181 . 7 1 1 A 24 24 TRP N N 24 117.211 119.223 -2.012 1
1 182 . 7 1 1 A 24 24 TRP H H 24 7.379 8.066 -0.687 1
1 183 . 7 1 1 A 24 24 TRP CA C 24 55.014 56.470 -1.456 1
1 184 . 7 1 1 A 24 24 TRP HA H 24 5.262 4.827 0.435 1
1 185 . 7 1 1 A 24 24 TRP CB C 24 32.074 30.939 1.135 1
1 200 . 7 1 1 A 24 24 TRP C C 24 176.715 177.026 -0.311 1
1 201 . 7 1 1 A 25 25 LYS N N 25 128.489 124.576 3.913 1
1 202 . 7 1 1 A 25 25 LYS H H 25 8.898 8.272 0.626 1
1 203 . 7 1 1 A 25 25 LYS CA C 25 59.794 58.674 1.120 1
1 204 . 7 1 1 A 25 25 LYS HA H 25 3.170 3.514 -0.344 1
1 205 . 7 1 1 A 25 25 LYS CB C 25 31.754 31.740 0.014 1
1 217 . 7 1 1 A 25 25 LYS C C 25 178.478 178.303 0.175 1
1 218 . 7 1 1 A 26 26 SER CA C 26 60.740 61.650 -0.910 1
1 219 . 7 1 1 A 26 26 SER HA H 26 4.015 4.043 -0.028 1
1 220 . 7 1 1 A 26 26 SER CB C 26 61.524 62.957 -1.433 1
1 223 . 7 1 1 A 26 26 SER C C 26 176.918 177.297 -0.379 1
1 224 . 7 1 1 A 27 27 ARG N N 27 120.638 121.624 -0.986 1
1 225 . 7 1 1 A 27 27 ARG H H 27 6.893 7.962 -1.069 1
1 226 . 7 1 1 A 27 27 ARG CA C 27 57.881 58.900 -1.019 1
1 227 . 7 1 1 A 27 27 ARG HA H 27 4.093 4.112 -0.019 1
1 228 . 7 1 1 A 27 27 ARG CB C 27 29.682 29.747 -0.065 1
1 237 . 7 1 1 A 27 27 ARG C C 27 178.625 178.906 -0.281 1
1 238 . 7 1 1 A 28 28 LEU N N 28 122.539 120.858 1.681 1
1 239 . 7 1 1 A 28 28 LEU H H 28 7.143 7.653 -0.510 1
1 240 . 7 1 1 A 28 28 LEU CA C 28 57.892 57.479 0.413 1
1 241 . 7 1 1 A 28 28 LEU HA H 28 3.096 3.455 -0.359 1
1 242 . 7 1 1 A 28 28 LEU CB C 28 40.043 41.451 -1.408 1
1 255 . 7 1 1 A 28 28 LEU C C 28 177.418 178.775 -1.357 1
1 256 . 7 1 1 A 29 29 ARG N N 29 117.943 118.418 -0.475 1
1 257 . 7 1 1 A 29 29 ARG H H 29 8.015 8.133 -0.118 1
1 258 . 7 1 1 A 29 29 ARG CA C 29 59.184 59.946 -0.762 1
1 259 . 7 1 1 A 29 29 ARG HA H 29 4.125 4.259 -0.134 1
1 260 . 7 1 1 A 29 29 ARG CB C 29 29.612 29.994 -0.382 1
1 269 . 7 1 1 A 29 29 ARG C C 29 179.325 178.909 0.416 1
1 270 . 7 1 1 A 30 30 ILE N N 30 118.338 119.632 -1.294 1
1 271 . 7 1 1 A 30 30 ILE H H 30 7.320 7.401 -0.081 1
1 272 . 7 1 1 A 30 30 ILE CA C 30 64.473 64.362 0.111 1
1 273 . 7 1 1 A 30 30 ILE HA H 30 3.688 3.806 -0.118 1
1 274 . 7 1 1 A 30 30 ILE CB C 30 38.505 36.952 1.553 1
1 287 . 7 1 1 A 30 30 ILE C C 30 178.655 178.206 0.449 1
1 288 . 7 1 1 A 31 31 HIS N N 31 120.313 120.189 0.124 1
1 289 . 7 1 1 A 31 31 HIS H H 31 7.695 8.088 -0.393 1
1 290 . 7 1 1 A 31 31 HIS CA C 31 59.398 59.042 0.356 1
1 291 . 7 1 1 A 31 31 HIS HA H 31 4.270 4.162 0.108 1
1 292 . 7 1 1 A 31 31 HIS CB C 31 28.465 29.950 -1.485 1
1 299 . 7 1 1 A 31 31 HIS C C 31 177.067 177.185 -0.118 1
1 300 . 7 1 1 A 32 32 GLN N N 32 116.561 118.812 -2.251 1
1 301 . 7 1 1 A 32 32 GLN H H 32 8.559 8.084 0.475 1
1 302 . 7 1 1 A 32 32 GLN CA C 32 59.534 59.042 0.492 1
1 303 . 7 1 1 A 32 32 GLN HA H 32 3.729 4.158 -0.429 1
1 304 . 7 1 1 A 32 32 GLN CB C 32 28.512 28.406 0.106 1
1 313 . 7 1 1 A 32 32 GLN C C 32 177.525 178.587 -1.062 1
1 314 . 7 1 1 A 33 33 LYS N N 33 118.421 118.646 -0.225 1
1 315 . 7 1 1 A 33 33 LYS H H 33 7.242 7.848 -0.606 1
1 316 . 7 1 1 A 33 33 LYS CA C 33 58.469 58.791 -0.322 1
1 317 . 7 1 1 A 33 33 LYS HA H 33 4.133 4.138 -0.005 1
1 318 . 7 1 1 A 33 33 LYS CB C 33 32.009 31.610 0.399 1
1 330 . 7 1 1 A 33 33 LYS C C 33 178.287 177.152 1.135 1
1 331 . 7 1 1 A 34 34 CYS N N 34 115.499 115.959 -0.460 1
1 332 . 7 1 1 A 34 34 CYS H H 34 7.930 7.581 0.349 1
1 333 . 7 1 1 A 34 34 CYS CA C 34 60.410 59.231 1.179 1
1 334 . 7 1 1 A 34 34 CYS HA H 34 4.349 4.303 0.046 1
1 335 . 7 1 1 A 34 34 CYS CB C 34 26.603 26.377 0.226 1
1 338 . 7 1 1 A 34 34 CYS C C 34 175.397 174.929 0.468 1
1 339 . 7 1 1 A 35 35 HIS N N 35 119.063 119.691 -0.628 1
1 340 . 7 1 1 A 35 35 HIS H H 35 7.391 7.900 -0.509 1
1 341 . 7 1 1 A 35 35 HIS CA C 35 55.026 54.824 0.202 1
1 342 . 7 1 1 A 35 35 HIS HA H 35 4.926 4.733 0.193 1
1 343 . 7 1 1 A 35 35 HIS CB C 35 28.797 29.004 -0.207 1
1 350 . 7 1 1 A 35 35 HIS C C 35 175.409 174.856 0.553 1
1 351 . 7 1 1 A 36 36 THR N N 36 112.789 110.367 2.422 1
1 352 . 7 1 1 A 36 36 THR H H 36 7.775 7.634 0.141 1
1 353 . 7 1 1 A 36 36 THR CA C 36 62.596 60.767 1.829 1
1 354 . 7 1 1 A 36 36 THR HA H 36 4.358 4.692 -0.334 1
1 355 . 7 1 1 A 36 36 THR CB C 36 69.874 69.203 0.671 1
1 361 . 7 1 1 A 36 36 THR C C 36 175.265 175.079 0.186 1
1 362 . 7 1 1 A 37 37 GLY N N 37 110.969 110.415 0.554 1
1 363 . 7 1 1 A 37 37 GLY H H 37 8.409 8.474 -0.065 1
1 364 . 7 1 1 A 37 37 GLY CA C 37 45.427 45.700 -0.273 1
1 365 . 7 1 1 A 37 37 GLY HA2 H 37 4.036 4.024 0.012 1
1 366 . 7 1 1 A 37 37 GLY HA3 H 37 3.983 4.032 -0.049 1
1 367 . 7 1 1 A 37 37 GLY C C 37 173.997 174.524 -0.527 1
1 368 . 7 1 1 A 38 38 GLU N N 38 120.635 121.587 -0.952 1
1 369 . 7 1 1 A 38 38 GLU H H 38 8.171 7.702 0.469 1
1 370 . 7 1 1 A 38 38 GLU CA C 38 56.637 57.198 -0.561 1
1 371 . 7 1 1 A 38 38 GLU HA H 38 4.253 4.223 0.030 1
1 372 . 7 1 1 A 38 38 GLU CB C 38 30.415 30.545 -0.130 1
1 378 . 7 1 1 A 38 38 GLU C C 38 176.470 175.716 0.754 1
1 379 . 7 1 1 A 39 39 ARG N N 39 121.782 127.144 -5.362 1
1 380 . 7 1 1 A 39 39 ARG H H 39 8.351 8.327 0.024 1
1 381 . 7 1 1 A 39 39 ARG CA C 39 56.036 54.625 1.411 1
1 382 . 7 1 1 A 39 39 ARG HA H 39 4.315 4.710 -0.395 1
1 383 . 7 1 1 A 39 39 ARG CB C 39 30.779 33.829 -3.050 1
1 392 . 7 1 1 A 39 39 ARG C C 39 176.053 174.632 1.421 1
1 397 . 7 1 1 A 42 42 GLY CA C 42 44.643 44.565 0.078 1
1 398 . 7 1 1 A 42 42 GLY HA2 H 42 4.150 4.173 -0.023 1
1 399 . 7 1 1 A 42 42 GLY HA3 H 42 4.150 4.183 -0.033 1
1 400 . 7 1 1 A 43 43 PRO CA C 43 63.307 62.729 0.578 1
1 401 . 7 1 1 A 43 43 PRO HA H 43 4.501 4.763 -0.262 1
1 402 . 7 1 1 A 43 43 PRO CB C 43 32.245 32.076 0.169 1
1 411 . 7 1 1 A 43 43 PRO C C 43 174.518 176.152 -1.634 1
1 412 . 7 1 1 A 44 44 SER N N 44 116.564 114.554 2.010 1
1 413 . 7 1 1 A 44 44 SER H H 44 8.531 8.339 0.192 1
1 414 . 7 1 1 A 44 44 SER CA C 44 58.000 57.314 0.686 1
1 1 . 8 1 1 A 7 7 GLY CA C 7 45.443 44.829 0.614 1
1 2 . 8 1 1 A 7 7 GLY HA2 H 7 4.001 4.073 -0.072 1
1 3 . 8 1 1 A 7 7 GLY HA3 H 7 4.001 4.074 -0.073 1
1 4 . 8 1 1 A 7 7 GLY C C 7 174.517 173.915 0.602 1
1 5 . 8 1 1 A 8 8 THR N N 8 112.810 115.962 -3.152 1
1 6 . 8 1 1 A 8 8 THR H H 8 8.114 8.689 -0.575 1
1 7 . 8 1 1 A 8 8 THR CA C 8 61.946 62.245 -0.299 1
1 8 . 8 1 1 A 8 8 THR HA H 8 4.359 4.376 -0.017 1
1 9 . 8 1 1 A 8 8 THR CB C 8 69.788 67.151 2.637 1
1 15 . 8 1 1 A 8 8 THR C C 8 175.261 174.468 0.793 1
1 16 . 8 1 1 A 9 9 GLY CA C 9 45.194 45.722 -0.528 1
1 17 . 8 1 1 A 9 9 GLY HA2 H 9 3.934 4.115 -0.181 1
1 18 . 8 1 1 A 9 9 GLY HA3 H 9 3.934 4.120 -0.186 1
1 19 . 8 1 1 A 10 10 GLU N N 10 120.417 119.102 1.315 1
1 20 . 8 1 1 A 10 10 GLU H H 10 8.163 7.867 0.296 1
1 21 . 8 1 1 A 10 10 GLU CA C 10 56.630 56.049 0.581 1
1 22 . 8 1 1 A 10 10 GLU HA H 10 4.157 4.364 -0.207 1
1 23 . 8 1 1 A 10 10 GLU CB C 10 30.424 30.318 0.106 1
1 28 . 8 1 1 A 10 10 GLU C C 10 176.283 175.801 0.482 1
1 29 . 8 1 1 A 11 11 LYS N N 11 122.818 121.863 0.955 1
1 30 . 8 1 1 A 11 11 LYS H H 11 8.319 8.523 -0.204 1
1 31 . 8 1 1 A 11 11 LYS CA C 11 54.069 52.788 1.281 1
1 32 . 8 1 1 A 11 11 LYS HA H 11 4.416 4.703 -0.287 1
1 33 . 8 1 1 A 11 11 LYS CB C 11 32.659 33.511 -0.852 1
1 45 . 8 1 1 A 11 11 LYS C C 11 174.368 176.123 -1.755 1
1 46 . 8 1 1 A 12 12 PRO CA C 12 63.821 63.813 0.008 1
1 47 . 8 1 1 A 12 12 PRO HA H 12 4.190 4.237 -0.047 1
1 48 . 8 1 1 A 12 12 PRO CB C 12 32.246 31.226 1.020 1
1 57 . 8 1 1 A 12 12 PRO C C 12 176.504 175.376 1.128 1
1 58 . 8 1 1 A 13 13 TYR N N 13 117.532 118.847 -1.315 1
1 59 . 8 1 1 A 13 13 TYR H H 13 7.808 7.405 0.403 1
1 60 . 8 1 1 A 13 13 TYR CA C 13 57.460 56.469 0.991 1
1 61 . 8 1 1 A 13 13 TYR HA H 13 4.723 5.304 -0.581 1
1 62 . 8 1 1 A 13 13 TYR CB C 13 38.681 43.732 -5.051 1
1 73 . 8 1 1 A 13 13 TYR C C 13 174.392 174.500 -0.108 1
1 74 . 8 1 1 A 14 14 LYS N N 14 125.155 121.014 4.141 1
1 75 . 8 1 1 A 14 14 LYS H H 14 8.658 8.769 -0.111 1
1 76 . 8 1 1 A 14 14 LYS CA C 14 55.182 56.075 -0.893 1
1 77 . 8 1 1 A 14 14 LYS HA H 14 4.897 5.216 -0.319 1
1 78 . 8 1 1 A 14 14 LYS CB C 14 35.362 35.681 -0.319 1
1 90 . 8 1 1 A 14 14 LYS C C 14 175.434 174.623 0.811 1
1 91 . 8 1 1 A 15 15 CYS N N 15 127.487 125.401 2.086 1
1 92 . 8 1 1 A 15 15 CYS H H 15 9.257 9.346 -0.089 1
1 93 . 8 1 1 A 15 15 CYS CA C 15 59.645 59.921 -0.276 1
1 94 . 8 1 1 A 15 15 CYS HA H 15 4.552 4.342 0.210 1
1 95 . 8 1 1 A 15 15 CYS CB C 15 29.714 28.715 0.999 1
1 98 . 8 1 1 A 15 15 CYS C C 15 177.361 175.065 2.296 1
1 99 . 8 1 1 A 16 16 SER CA C 16 61.056 60.730 0.326 1
1 100 . 8 1 1 A 16 16 SER HA H 16 4.265 4.424 -0.159 1
1 101 . 8 1 1 A 16 16 SER CB C 16 63.129 63.673 -0.544 1
1 104 . 8 1 1 A 16 16 SER C C 16 174.425 176.275 -1.850 1
1 105 . 8 1 1 A 17 17 ASP N N 17 122.836 122.178 0.658 1
1 106 . 8 1 1 A 17 17 ASP H H 17 8.675 7.717 0.958 1
1 107 . 8 1 1 A 17 17 ASP CA C 17 56.882 57.317 -0.435 1
1 108 . 8 1 1 A 17 17 ASP HA H 17 4.573 4.165 0.408 1
1 109 . 8 1 1 A 17 17 ASP CB C 17 41.393 39.614 1.779 1
1 112 . 8 1 1 A 17 17 ASP C C 17 176.693 177.693 -1.000 1
1 113 . 8 1 1 A 18 18 CYS N N 18 114.845 113.809 1.036 1
1 114 . 8 1 1 A 18 18 CYS H H 18 7.871 7.515 0.356 1
1 115 . 8 1 1 A 18 18 CYS CA C 18 58.669 59.722 -1.053 1
1 116 . 8 1 1 A 18 18 CYS HA H 18 5.149 4.652 0.497 1
1 117 . 8 1 1 A 18 18 CYS CB C 18 32.360 29.880 2.480 1
1 120 . 8 1 1 A 18 18 CYS C C 18 176.087 175.328 0.759 1
1 121 . 8 1 1 A 19 19 GLY N N 19 112.703 109.864 2.839 1
1 122 . 8 1 1 A 19 19 GLY H H 19 8.234 8.034 0.200 1
1 123 . 8 1 1 A 19 19 GLY CA C 19 46.239 44.971 1.268 1
1 124 . 8 1 1 A 19 19 GLY HA2 H 19 3.805 4.111 -0.306 1
1 125 . 8 1 1 A 19 19 GLY HA3 H 19 4.261 4.126 0.135 1
1 126 . 8 1 1 A 19 19 GLY C C 19 173.775 174.666 -0.891 1
1 127 . 8 1 1 A 20 20 LYS N N 20 123.389 120.682 2.707 1
1 128 . 8 1 1 A 20 20 LYS H H 20 8.104 7.371 0.733 1
1 129 . 8 1 1 A 20 20 LYS CA C 20 58.247 56.454 1.793 1
1 130 . 8 1 1 A 20 20 LYS HA H 20 4.062 4.302 -0.240 1
1 131 . 8 1 1 A 20 20 LYS CB C 20 33.784 33.796 -0.012 1
1 143 . 8 1 1 A 20 20 LYS C C 20 174.521 175.379 -0.858 1
1 144 . 8 1 1 A 21 21 SER N N 21 115.758 116.792 -1.034 1
1 145 . 8 1 1 A 21 21 SER H H 21 7.892 8.358 -0.466 1
1 146 . 8 1 1 A 21 21 SER CA C 21 57.156 56.648 0.508 1
1 147 . 8 1 1 A 21 21 SER HA H 21 5.346 5.613 -0.267 1
1 148 . 8 1 1 A 21 21 SER CB C 21 65.985 66.236 -0.251 1
1 151 . 8 1 1 A 21 21 SER C C 21 172.978 172.873 0.105 1
1 152 . 8 1 1 A 22 22 PHE N N 22 117.880 121.667 -3.787 1
1 153 . 8 1 1 A 22 22 PHE H H 22 8.858 8.661 0.197 1
1 154 . 8 1 1 A 22 22 PHE CA C 22 57.670 56.703 0.967 1
1 155 . 8 1 1 A 22 22 PHE HA H 22 4.809 4.981 -0.172 1
1 156 . 8 1 1 A 22 22 PHE CB C 22 43.763 43.320 0.443 1
1 169 . 8 1 1 A 22 22 PHE C C 22 175.046 175.463 -0.417 1
1 170 . 8 1 1 A 23 23 THR N N 23 119.545 112.959 6.586 1
1 171 . 8 1 1 A 23 23 THR H H 23 9.181 8.835 0.346 1
1 172 . 8 1 1 A 23 23 THR CA C 23 65.464 62.663 2.801 1
1 173 . 8 1 1 A 23 23 THR HA H 23 4.093 4.473 -0.380 1
1 174 . 8 1 1 A 23 23 THR CB C 23 69.486 69.281 0.205 1
1 180 . 8 1 1 A 23 23 THR C C 23 173.355 174.809 -1.454 1
1 181 . 8 1 1 A 24 24 TRP N N 24 117.211 122.179 -4.968 1
1 182 . 8 1 1 A 24 24 TRP H H 24 7.379 8.065 -0.686 1
1 183 . 8 1 1 A 24 24 TRP CA C 24 55.014 55.776 -0.762 1
1 184 . 8 1 1 A 24 24 TRP HA H 24 5.262 5.246 0.016 1
1 185 . 8 1 1 A 24 24 TRP CB C 24 32.074 32.530 -0.456 1
1 200 . 8 1 1 A 24 24 TRP C C 24 176.715 176.458 0.257 1
1 201 . 8 1 1 A 25 25 LYS N N 25 128.489 124.821 3.668 1
1 202 . 8 1 1 A 25 25 LYS H H 25 8.898 9.179 -0.281 1
1 203 . 8 1 1 A 25 25 LYS CA C 25 59.794 59.806 -0.012 1
1 204 . 8 1 1 A 25 25 LYS HA H 25 3.170 3.490 -0.320 1
1 205 . 8 1 1 A 25 25 LYS CB C 25 31.754 32.184 -0.430 1
1 217 . 8 1 1 A 25 25 LYS C C 25 178.478 178.506 -0.028 1
1 218 . 8 1 1 A 26 26 SER CA C 26 60.740 61.526 -0.786 1
1 219 . 8 1 1 A 26 26 SER HA H 26 4.015 4.079 -0.064 1
1 220 . 8 1 1 A 26 26 SER CB C 26 61.524 63.142 -1.618 1
1 223 . 8 1 1 A 26 26 SER C C 26 176.918 176.971 -0.053 1
1 224 . 8 1 1 A 27 27 ARG N N 27 120.638 121.782 -1.144 1
1 225 . 8 1 1 A 27 27 ARG H H 27 6.893 8.099 -1.206 1
1 226 . 8 1 1 A 27 27 ARG CA C 27 57.881 58.804 -0.923 1
1 227 . 8 1 1 A 27 27 ARG HA H 27 4.093 4.198 -0.105 1
1 228 . 8 1 1 A 27 27 ARG CB C 27 29.682 29.831 -0.149 1
1 237 . 8 1 1 A 27 27 ARG C C 27 178.625 179.049 -0.424 1
1 238 . 8 1 1 A 28 28 LEU N N 28 122.539 121.068 1.471 1
1 239 . 8 1 1 A 28 28 LEU H H 28 7.143 8.276 -1.133 1
1 240 . 8 1 1 A 28 28 LEU CA C 28 57.892 57.651 0.241 1
1 241 . 8 1 1 A 28 28 LEU HA H 28 3.096 3.064 0.032 1
1 242 . 8 1 1 A 28 28 LEU CB C 28 40.043 41.320 -1.277 1
1 255 . 8 1 1 A 28 28 LEU C C 28 177.418 178.567 -1.149 1
1 256 . 8 1 1 A 29 29 ARG N N 29 117.943 118.022 -0.079 1
1 257 . 8 1 1 A 29 29 ARG H H 29 8.015 8.098 -0.083 1
1 258 . 8 1 1 A 29 29 ARG CA C 29 59.184 59.869 -0.685 1
1 259 . 8 1 1 A 29 29 ARG HA H 29 4.125 3.871 0.254 1
1 260 . 8 1 1 A 29 29 ARG CB C 29 29.612 30.071 -0.459 1
1 269 . 8 1 1 A 29 29 ARG C C 29 179.325 178.906 0.419 1
1 270 . 8 1 1 A 30 30 ILE N N 30 118.338 120.238 -1.900 1
1 271 . 8 1 1 A 30 30 ILE H H 30 7.320 7.757 -0.437 1
1 272 . 8 1 1 A 30 30 ILE CA C 30 64.473 65.201 -0.728 1
1 273 . 8 1 1 A 30 30 ILE HA H 30 3.688 3.805 -0.117 1
1 274 . 8 1 1 A 30 30 ILE CB C 30 38.505 37.835 0.670 1
1 287 . 8 1 1 A 30 30 ILE C C 30 178.655 178.564 0.091 1
1 288 . 8 1 1 A 31 31 HIS N N 31 120.313 120.156 0.157 1
1 289 . 8 1 1 A 31 31 HIS H H 31 7.695 8.446 -0.751 1
1 290 . 8 1 1 A 31 31 HIS CA C 31 59.398 59.192 0.206 1
1 291 . 8 1 1 A 31 31 HIS HA H 31 4.270 4.308 -0.038 1
1 292 . 8 1 1 A 31 31 HIS CB C 31 28.465 30.134 -1.669 1
1 299 . 8 1 1 A 31 31 HIS C C 31 177.067 177.415 -0.348 1
1 300 . 8 1 1 A 32 32 GLN N N 32 116.561 118.880 -2.319 1
1 301 . 8 1 1 A 32 32 GLN H H 32 8.559 8.604 -0.045 1
1 302 . 8 1 1 A 32 32 GLN CA C 32 59.534 59.184 0.350 1
1 303 . 8 1 1 A 32 32 GLN HA H 32 3.729 3.926 -0.197 1
1 304 . 8 1 1 A 32 32 GLN CB C 32 28.512 28.339 0.173 1
1 313 . 8 1 1 A 32 32 GLN C C 32 177.525 178.396 -0.871 1
1 314 . 8 1 1 A 33 33 LYS N N 33 118.421 118.283 0.138 1
1 315 . 8 1 1 A 33 33 LYS H H 33 7.242 8.019 -0.777 1
1 316 . 8 1 1 A 33 33 LYS CA C 33 58.469 59.201 -0.732 1
1 317 . 8 1 1 A 33 33 LYS HA H 33 4.133 4.061 0.072 1
1 318 . 8 1 1 A 33 33 LYS CB C 33 32.009 32.290 -0.281 1
1 330 . 8 1 1 A 33 33 LYS C C 33 178.287 178.341 -0.054 1
1 331 . 8 1 1 A 34 34 CYS N N 34 115.499 118.500 -3.001 1
1 332 . 8 1 1 A 34 34 CYS H H 34 7.930 7.960 -0.030 1
1 333 . 8 1 1 A 34 34 CYS CA C 34 60.410 62.923 -2.513 1
1 334 . 8 1 1 A 34 34 CYS HA H 34 4.349 3.929 0.420 1
1 335 . 8 1 1 A 34 34 CYS CB C 34 26.603 26.692 -0.089 1
1 338 . 8 1 1 A 34 34 CYS C C 34 175.397 177.316 -1.919 1
1 339 . 8 1 1 A 35 35 HIS N N 35 119.063 118.981 0.082 1
1 340 . 8 1 1 A 35 35 HIS H H 35 7.391 7.689 -0.298 1
1 341 . 8 1 1 A 35 35 HIS CA C 35 55.026 59.183 -4.157 1
1 342 . 8 1 1 A 35 35 HIS HA H 35 4.926 4.270 0.656 1
1 343 . 8 1 1 A 35 35 HIS CB C 35 28.797 29.909 -1.112 1
1 350 . 8 1 1 A 35 35 HIS C C 35 175.409 176.022 -0.613 1
1 351 . 8 1 1 A 36 36 THR N N 36 112.789 112.954 -0.165 1
1 352 . 8 1 1 A 36 36 THR H H 36 7.775 8.081 -0.306 1
1 353 . 8 1 1 A 36 36 THR CA C 36 62.596 63.332 -0.736 1
1 354 . 8 1 1 A 36 36 THR HA H 36 4.358 4.038 0.320 1
1 355 . 8 1 1 A 36 36 THR CB C 36 69.874 69.369 0.505 1
1 361 . 8 1 1 A 36 36 THR C C 36 175.265 175.532 -0.267 1
1 362 . 8 1 1 A 37 37 GLY N N 37 110.969 115.812 -4.843 1
1 363 . 8 1 1 A 37 37 GLY H H 37 8.409 8.814 -0.405 1
1 364 . 8 1 1 A 37 37 GLY CA C 37 45.427 45.231 0.196 1
1 365 . 8 1 1 A 37 37 GLY HA2 H 37 4.036 4.019 0.017 1
1 366 . 8 1 1 A 37 37 GLY HA3 H 37 3.983 4.020 -0.037 1
1 367 . 8 1 1 A 37 37 GLY C C 37 173.997 173.514 0.483 1
1 368 . 8 1 1 A 38 38 GLU N N 38 120.635 119.244 1.391 1
1 369 . 8 1 1 A 38 38 GLU H H 38 8.171 8.006 0.165 1
1 370 . 8 1 1 A 38 38 GLU CA C 38 56.637 54.447 2.190 1
1 371 . 8 1 1 A 38 38 GLU HA H 38 4.253 4.934 -0.681 1
1 372 . 8 1 1 A 38 38 GLU CB C 38 30.415 33.935 -3.520 1
1 378 . 8 1 1 A 38 38 GLU C C 38 176.470 175.121 1.349 1
1 379 . 8 1 1 A 39 39 ARG N N 39 121.782 120.317 1.465 1
1 380 . 8 1 1 A 39 39 ARG H H 39 8.351 8.693 -0.342 1
1 381 . 8 1 1 A 39 39 ARG CA C 39 56.036 55.547 0.489 1
1 382 . 8 1 1 A 39 39 ARG HA H 39 4.315 4.771 -0.456 1
1 383 . 8 1 1 A 39 39 ARG CB C 39 30.779 30.728 0.051 1
1 392 . 8 1 1 A 39 39 ARG C C 39 176.053 176.601 -0.548 1
1 397 . 8 1 1 A 42 42 GLY CA C 42 44.643 44.847 -0.204 1
1 398 . 8 1 1 A 42 42 GLY HA2 H 42 4.150 4.037 0.113 1
1 399 . 8 1 1 A 42 42 GLY HA3 H 42 4.150 4.042 0.108 1
1 400 . 8 1 1 A 43 43 PRO CA C 43 63.307 64.182 -0.875 1
1 401 . 8 1 1 A 43 43 PRO HA H 43 4.501 4.430 0.071 1
1 402 . 8 1 1 A 43 43 PRO CB C 43 32.245 32.219 0.026 1
1 411 . 8 1 1 A 43 43 PRO C C 43 174.518 176.252 -1.734 1
1 412 . 8 1 1 A 44 44 SER N N 44 116.564 112.498 4.066 1
1 413 . 8 1 1 A 44 44 SER H H 44 8.531 7.520 1.011 1
1 414 . 8 1 1 A 44 44 SER CA C 44 58.000 57.123 0.877 1
1 1 . 9 1 1 A 7 7 GLY CA C 7 45.443 46.917 -1.474 1
1 2 . 9 1 1 A 7 7 GLY HA2 H 7 4.001 3.871 0.130 1
1 3 . 9 1 1 A 7 7 GLY HA3 H 7 4.001 3.872 0.129 1
1 4 . 9 1 1 A 7 7 GLY C C 7 174.517 174.571 -0.054 1
1 5 . 9 1 1 A 8 8 THR N N 8 112.810 114.815 -2.005 1
1 6 . 9 1 1 A 8 8 THR H H 8 8.114 7.983 0.131 1
1 7 . 9 1 1 A 8 8 THR CA C 8 61.946 63.939 -1.993 1
1 8 . 9 1 1 A 8 8 THR HA H 8 4.359 4.397 -0.038 1
1 9 . 9 1 1 A 8 8 THR CB C 8 69.788 69.937 -0.149 1
1 15 . 9 1 1 A 8 8 THR C C 8 175.261 176.376 -1.115 1
1 16 . 9 1 1 A 9 9 GLY CA C 9 45.194 46.742 -1.548 1
1 17 . 9 1 1 A 9 9 GLY HA2 H 9 3.934 3.775 0.159 1
1 18 . 9 1 1 A 9 9 GLY HA3 H 9 3.934 3.787 0.147 1
1 19 . 9 1 1 A 10 10 GLU N N 10 120.417 119.450 0.967 1
1 20 . 9 1 1 A 10 10 GLU H H 10 8.163 8.317 -0.154 1
1 21 . 9 1 1 A 10 10 GLU CA C 10 56.630 57.646 -1.016 1
1 22 . 9 1 1 A 10 10 GLU HA H 10 4.157 3.918 0.239 1
1 23 . 9 1 1 A 10 10 GLU CB C 10 30.424 28.640 1.784 1
1 28 . 9 1 1 A 10 10 GLU C C 10 176.283 174.920 1.363 1
1 29 . 9 1 1 A 11 11 LYS N N 11 122.818 118.975 3.843 1
1 30 . 9 1 1 A 11 11 LYS H H 11 8.319 7.652 0.667 1
1 31 . 9 1 1 A 11 11 LYS CA C 11 54.069 53.023 1.046 1
1 32 . 9 1 1 A 11 11 LYS HA H 11 4.416 4.699 -0.283 1
1 33 . 9 1 1 A 11 11 LYS CB C 11 32.659 34.283 -1.624 1
1 45 . 9 1 1 A 11 11 LYS C C 11 174.368 176.217 -1.849 1
1 46 . 9 1 1 A 12 12 PRO CA C 12 63.821 63.811 0.010 1
1 47 . 9 1 1 A 12 12 PRO HA H 12 4.190 4.342 -0.152 1
1 48 . 9 1 1 A 12 12 PRO CB C 12 32.246 31.229 1.017 1
1 57 . 9 1 1 A 12 12 PRO C C 12 176.504 175.492 1.012 1
1 58 . 9 1 1 A 13 13 TYR N N 13 117.532 118.797 -1.265 1
1 59 . 9 1 1 A 13 13 TYR H H 13 7.808 7.324 0.484 1
1 60 . 9 1 1 A 13 13 TYR CA C 13 57.460 56.472 0.988 1
1 61 . 9 1 1 A 13 13 TYR HA H 13 4.723 5.356 -0.633 1
1 62 . 9 1 1 A 13 13 TYR CB C 13 38.681 41.922 -3.241 1
1 73 . 9 1 1 A 13 13 TYR C C 13 174.392 174.837 -0.445 1
1 74 . 9 1 1 A 14 14 LYS N N 14 125.155 120.992 4.163 1
1 75 . 9 1 1 A 14 14 LYS H H 14 8.658 8.763 -0.105 1
1 76 . 9 1 1 A 14 14 LYS CA C 14 55.182 56.155 -0.973 1
1 77 . 9 1 1 A 14 14 LYS HA H 14 4.897 5.177 -0.280 1
1 78 . 9 1 1 A 14 14 LYS CB C 14 35.362 35.887 -0.525 1
1 90 . 9 1 1 A 14 14 LYS C C 14 175.434 174.818 0.616 1
1 91 . 9 1 1 A 15 15 CYS N N 15 127.487 125.771 1.716 1
1 92 . 9 1 1 A 15 15 CYS H H 15 9.257 8.881 0.376 1
1 93 . 9 1 1 A 15 15 CYS CA C 15 59.645 60.018 -0.373 1
1 94 . 9 1 1 A 15 15 CYS HA H 15 4.552 4.393 0.159 1
1 95 . 9 1 1 A 15 15 CYS CB C 15 29.714 28.914 0.800 1
1 98 . 9 1 1 A 15 15 CYS C C 15 177.361 176.670 0.691 1
1 99 . 9 1 1 A 16 16 SER CA C 16 61.056 58.810 2.246 1
1 100 . 9 1 1 A 16 16 SER HA H 16 4.265 4.455 -0.190 1
1 101 . 9 1 1 A 16 16 SER CB C 16 63.129 62.702 0.427 1
1 104 . 9 1 1 A 16 16 SER C C 16 174.425 173.310 1.115 1
1 105 . 9 1 1 A 17 17 ASP N N 17 122.836 119.137 3.699 1
1 106 . 9 1 1 A 17 17 ASP H H 17 8.675 8.127 0.548 1
1 107 . 9 1 1 A 17 17 ASP CA C 17 56.882 55.299 1.583 1
1 108 . 9 1 1 A 17 17 ASP HA H 17 4.573 4.764 -0.191 1
1 109 . 9 1 1 A 17 17 ASP CB C 17 41.393 43.260 -1.867 1
1 112 . 9 1 1 A 17 17 ASP C C 17 176.693 177.390 -0.697 1
1 113 . 9 1 1 A 18 18 CYS N N 18 114.845 114.562 0.283 1
1 114 . 9 1 1 A 18 18 CYS H H 18 7.871 8.221 -0.350 1
1 115 . 9 1 1 A 18 18 CYS CA C 18 58.669 59.803 -1.134 1
1 116 . 9 1 1 A 18 18 CYS HA H 18 5.149 4.619 0.530 1
1 117 . 9 1 1 A 18 18 CYS CB C 18 32.360 29.838 2.522 1
1 120 . 9 1 1 A 18 18 CYS C C 18 176.087 175.454 0.633 1
1 121 . 9 1 1 A 19 19 GLY N N 19 112.703 109.965 2.738 1
1 122 . 9 1 1 A 19 19 GLY H H 19 8.234 8.083 0.151 1
1 123 . 9 1 1 A 19 19 GLY CA C 19 46.239 45.423 0.816 1
1 124 . 9 1 1 A 19 19 GLY HA2 H 19 3.805 4.106 -0.301 1
1 125 . 9 1 1 A 19 19 GLY HA3 H 19 4.261 4.118 0.143 1
1 126 . 9 1 1 A 19 19 GLY C C 19 173.775 174.055 -0.280 1
1 127 . 9 1 1 A 20 20 LYS N N 20 123.389 119.691 3.698 1
1 128 . 9 1 1 A 20 20 LYS H H 20 8.104 7.983 0.121 1
1 129 . 9 1 1 A 20 20 LYS CA C 20 58.247 53.961 4.286 1
1 130 . 9 1 1 A 20 20 LYS HA H 20 4.062 4.801 -0.739 1
1 131 . 9 1 1 A 20 20 LYS CB C 20 33.784 35.023 -1.239 1
1 143 . 9 1 1 A 20 20 LYS C C 20 174.521 175.151 -0.630 1
1 144 . 9 1 1 A 21 21 SER N N 21 115.758 113.196 2.562 1
1 145 . 9 1 1 A 21 21 SER H H 21 7.892 8.813 -0.921 1
1 146 . 9 1 1 A 21 21 SER CA C 21 57.156 55.825 1.331 1
1 147 . 9 1 1 A 21 21 SER HA H 21 5.346 5.761 -0.415 1
1 148 . 9 1 1 A 21 21 SER CB C 21 65.985 66.241 -0.256 1
1 151 . 9 1 1 A 21 21 SER C C 21 172.978 173.728 -0.750 1
1 152 . 9 1 1 A 22 22 PHE N N 22 117.880 118.684 -0.804 1
1 153 . 9 1 1 A 22 22 PHE H H 22 8.858 8.805 0.053 1
1 154 . 9 1 1 A 22 22 PHE CA C 22 57.670 56.955 0.715 1
1 155 . 9 1 1 A 22 22 PHE HA H 22 4.809 4.895 -0.086 1
1 156 . 9 1 1 A 22 22 PHE CB C 22 43.763 42.927 0.836 1
1 169 . 9 1 1 A 22 22 PHE C C 22 175.046 175.735 -0.689 1
1 170 . 9 1 1 A 23 23 THR N N 23 119.545 116.554 2.991 1
1 171 . 9 1 1 A 23 23 THR H H 23 9.181 8.900 0.281 1
1 172 . 9 1 1 A 23 23 THR CA C 23 65.464 65.395 0.069 1
1 173 . 9 1 1 A 23 23 THR HA H 23 4.093 4.335 -0.242 1
1 174 . 9 1 1 A 23 23 THR CB C 23 69.486 69.139 0.347 1
1 180 . 9 1 1 A 23 23 THR C C 23 173.355 175.221 -1.866 1
1 181 . 9 1 1 A 24 24 TRP N N 24 117.211 119.320 -2.109 1
1 182 . 9 1 1 A 24 24 TRP H H 24 7.379 8.155 -0.776 1
1 183 . 9 1 1 A 24 24 TRP CA C 24 55.014 56.904 -1.890 1
1 184 . 9 1 1 A 24 24 TRP HA H 24 5.262 5.136 0.126 1
1 185 . 9 1 1 A 24 24 TRP CB C 24 32.074 31.197 0.877 1
1 200 . 9 1 1 A 24 24 TRP C C 24 176.715 176.698 0.017 1
1 201 . 9 1 1 A 25 25 LYS N N 25 128.489 125.747 2.742 1
1 202 . 9 1 1 A 25 25 LYS H H 25 8.898 8.855 0.043 1
1 203 . 9 1 1 A 25 25 LYS CA C 25 59.794 59.612 0.182 1
1 204 . 9 1 1 A 25 25 LYS HA H 25 3.170 3.013 0.157 1
1 205 . 9 1 1 A 25 25 LYS CB C 25 31.754 31.620 0.134 1
1 217 . 9 1 1 A 25 25 LYS C C 25 178.478 177.693 0.785 1
1 218 . 9 1 1 A 26 26 SER CA C 26 60.740 61.688 -0.948 1
1 219 . 9 1 1 A 26 26 SER HA H 26 4.015 4.029 -0.014 1
1 220 . 9 1 1 A 26 26 SER CB C 26 61.524 62.941 -1.417 1
1 223 . 9 1 1 A 26 26 SER C C 26 176.918 177.413 -0.495 1
1 224 . 9 1 1 A 27 27 ARG N N 27 120.638 121.554 -0.916 1
1 225 . 9 1 1 A 27 27 ARG H H 27 6.893 8.039 -1.146 1
1 226 . 9 1 1 A 27 27 ARG CA C 27 57.881 59.311 -1.430 1
1 227 . 9 1 1 A 27 27 ARG HA H 27 4.093 3.990 0.103 1
1 228 . 9 1 1 A 27 27 ARG CB C 27 29.682 30.071 -0.389 1
1 237 . 9 1 1 A 27 27 ARG C C 27 178.625 178.715 -0.090 1
1 238 . 9 1 1 A 28 28 LEU N N 28 122.539 121.546 0.993 1
1 239 . 9 1 1 A 28 28 LEU H H 28 7.143 7.853 -0.710 1
1 240 . 9 1 1 A 28 28 LEU CA C 28 57.892 57.694 0.198 1
1 241 . 9 1 1 A 28 28 LEU HA H 28 3.096 3.259 -0.163 1
1 242 . 9 1 1 A 28 28 LEU CB C 28 40.043 41.018 -0.975 1
1 255 . 9 1 1 A 28 28 LEU C C 28 177.418 178.560 -1.142 1
1 256 . 9 1 1 A 29 29 ARG N N 29 117.943 118.017 -0.074 1
1 257 . 9 1 1 A 29 29 ARG H H 29 8.015 7.988 0.027 1
1 258 . 9 1 1 A 29 29 ARG CA C 29 59.184 59.854 -0.670 1
1 259 . 9 1 1 A 29 29 ARG HA H 29 4.125 3.872 0.253 1
1 260 . 9 1 1 A 29 29 ARG CB C 29 29.612 29.828 -0.216 1
1 269 . 9 1 1 A 29 29 ARG C C 29 179.325 179.144 0.181 1
1 270 . 9 1 1 A 30 30 ILE N N 30 118.338 119.591 -1.253 1
1 271 . 9 1 1 A 30 30 ILE H H 30 7.320 7.816 -0.496 1
1 272 . 9 1 1 A 30 30 ILE CA C 30 64.473 63.661 0.812 1
1 273 . 9 1 1 A 30 30 ILE HA H 30 3.688 3.886 -0.198 1
1 274 . 9 1 1 A 30 30 ILE CB C 30 38.505 37.347 1.158 1
1 287 . 9 1 1 A 30 30 ILE C C 30 178.655 178.148 0.507 1
1 288 . 9 1 1 A 31 31 HIS N N 31 120.313 121.877 -1.564 1
1 289 . 9 1 1 A 31 31 HIS H H 31 7.695 8.397 -0.702 1
1 290 . 9 1 1 A 31 31 HIS CA C 31 59.398 58.828 0.570 1
1 291 . 9 1 1 A 31 31 HIS HA H 31 4.270 4.220 0.050 1
1 292 . 9 1 1 A 31 31 HIS CB C 31 28.465 30.396 -1.931 1
1 299 . 9 1 1 A 31 31 HIS C C 31 177.067 177.019 0.048 1
1 300 . 9 1 1 A 32 32 GLN N N 32 116.561 117.318 -0.757 1
1 301 . 9 1 1 A 32 32 GLN H H 32 8.559 8.599 -0.040 1
1 302 . 9 1 1 A 32 32 GLN CA C 32 59.534 58.434 1.100 1
1 303 . 9 1 1 A 32 32 GLN HA H 32 3.729 3.748 -0.019 1
1 304 . 9 1 1 A 32 32 GLN CB C 32 28.512 28.645 -0.133 1
1 313 . 9 1 1 A 32 32 GLN C C 32 177.525 177.508 0.017 1
1 314 . 9 1 1 A 33 33 LYS N N 33 118.421 117.771 0.650 1
1 315 . 9 1 1 A 33 33 LYS H H 33 7.242 8.186 -0.944 1
1 316 . 9 1 1 A 33 33 LYS CA C 33 58.469 58.919 -0.450 1
1 317 . 9 1 1 A 33 33 LYS HA H 33 4.133 4.078 0.055 1
1 318 . 9 1 1 A 33 33 LYS CB C 33 32.009 31.412 0.597 1
1 330 . 9 1 1 A 33 33 LYS C C 33 178.287 178.424 -0.137 1
1 331 . 9 1 1 A 34 34 CYS N N 34 115.499 119.060 -3.561 1
1 332 . 9 1 1 A 34 34 CYS H H 34 7.930 8.110 -0.180 1
1 333 . 9 1 1 A 34 34 CYS CA C 34 60.410 62.265 -1.855 1
1 334 . 9 1 1 A 34 34 CYS HA H 34 4.349 4.057 0.292 1
1 335 . 9 1 1 A 34 34 CYS CB C 34 26.603 26.870 -0.267 1
1 338 . 9 1 1 A 34 34 CYS C C 34 175.397 177.153 -1.756 1
1 339 . 9 1 1 A 35 35 HIS N N 35 119.063 119.204 -0.141 1
1 340 . 9 1 1 A 35 35 HIS H H 35 7.391 7.811 -0.420 1
1 341 . 9 1 1 A 35 35 HIS CA C 35 55.026 58.665 -3.639 1
1 342 . 9 1 1 A 35 35 HIS HA H 35 4.926 4.272 0.654 1
1 343 . 9 1 1 A 35 35 HIS CB C 35 28.797 29.832 -1.035 1
1 350 . 9 1 1 A 35 35 HIS C C 35 175.409 175.825 -0.416 1
1 351 . 9 1 1 A 36 36 THR N N 36 112.789 109.954 2.835 1
1 352 . 9 1 1 A 36 36 THR H H 36 7.775 7.580 0.195 1
1 353 . 9 1 1 A 36 36 THR CA C 36 62.596 63.524 -0.928 1
1 354 . 9 1 1 A 36 36 THR HA H 36 4.358 4.045 0.313 1
1 355 . 9 1 1 A 36 36 THR CB C 36 69.874 68.347 1.527 1
1 361 . 9 1 1 A 36 36 THR C C 36 175.265 175.161 0.104 1
1 362 . 9 1 1 A 37 37 GLY N N 37 110.969 114.135 -3.166 1
1 363 . 9 1 1 A 37 37 GLY H H 37 8.409 8.823 -0.414 1
1 364 . 9 1 1 A 37 37 GLY CA C 37 45.427 45.527 -0.100 1
1 365 . 9 1 1 A 37 37 GLY HA2 H 37 4.036 4.005 0.031 1
1 366 . 9 1 1 A 37 37 GLY HA3 H 37 3.983 4.006 -0.023 1
1 367 . 9 1 1 A 37 37 GLY C C 37 173.997 174.898 -0.901 1
1 368 . 9 1 1 A 38 38 GLU N N 38 120.635 120.675 -0.040 1
1 369 . 9 1 1 A 38 38 GLU H H 38 8.171 7.700 0.471 1
1 370 . 9 1 1 A 38 38 GLU CA C 38 56.637 55.690 0.947 1
1 371 . 9 1 1 A 38 38 GLU HA H 38 4.253 4.623 -0.370 1
1 372 . 9 1 1 A 38 38 GLU CB C 38 30.415 31.510 -1.095 1
1 378 . 9 1 1 A 38 38 GLU C C 38 176.470 175.024 1.446 1
1 379 . 9 1 1 A 39 39 ARG N N 39 121.782 122.933 -1.151 1
1 380 . 9 1 1 A 39 39 ARG H H 39 8.351 8.689 -0.338 1
1 381 . 9 1 1 A 39 39 ARG CA C 39 56.036 54.604 1.432 1
1 382 . 9 1 1 A 39 39 ARG HA H 39 4.315 5.385 -1.070 1
1 383 . 9 1 1 A 39 39 ARG CB C 39 30.779 33.918 -3.139 1
1 392 . 9 1 1 A 39 39 ARG C C 39 176.053 174.206 1.847 1
1 397 . 9 1 1 A 42 42 GLY CA C 42 44.643 45.988 -1.345 1
1 398 . 9 1 1 A 42 42 GLY HA2 H 42 4.150 4.129 0.021 1
1 399 . 9 1 1 A 42 42 GLY HA3 H 42 4.150 4.135 0.015 1
1 400 . 9 1 1 A 43 43 PRO CA C 43 63.307 62.720 0.587 1
1 401 . 9 1 1 A 43 43 PRO HA H 43 4.501 4.576 -0.075 1
1 402 . 9 1 1 A 43 43 PRO CB C 43 32.245 31.852 0.393 1
1 411 . 9 1 1 A 43 43 PRO C C 43 174.518 177.195 -2.677 1
1 412 . 9 1 1 A 44 44 SER N N 44 116.564 119.043 -2.479 1
1 413 . 9 1 1 A 44 44 SER H H 44 8.531 8.288 0.243 1
1 414 . 9 1 1 A 44 44 SER CA C 44 58.000 58.931 -0.931 1
1 1 . 10 1 1 A 7 7 GLY CA C 7 45.443 44.364 1.079 1
1 2 . 10 1 1 A 7 7 GLY HA2 H 7 4.001 4.102 -0.101 1
1 3 . 10 1 1 A 7 7 GLY HA3 H 7 4.001 4.104 -0.103 1
1 4 . 10 1 1 A 7 7 GLY C C 7 174.517 173.487 1.030 1
1 5 . 10 1 1 A 8 8 THR N N 8 112.810 113.284 -0.474 1
1 6 . 10 1 1 A 8 8 THR H H 8 8.114 8.354 -0.240 1
1 7 . 10 1 1 A 8 8 THR CA C 8 61.946 61.472 0.474 1
1 8 . 10 1 1 A 8 8 THR HA H 8 4.359 4.489 -0.130 1
1 9 . 10 1 1 A 8 8 THR CB C 8 69.788 68.320 1.468 1
1 15 . 10 1 1 A 8 8 THR C C 8 175.261 174.271 0.990 1
1 16 . 10 1 1 A 9 9 GLY CA C 9 45.194 45.872 -0.678 1
1 17 . 10 1 1 A 9 9 GLY HA2 H 9 3.934 4.120 -0.186 1
1 18 . 10 1 1 A 9 9 GLY HA3 H 9 3.934 4.122 -0.188 1
1 19 . 10 1 1 A 10 10 GLU N N 10 120.417 120.905 -0.488 1
1 20 . 10 1 1 A 10 10 GLU H H 10 8.163 8.506 -0.343 1
1 21 . 10 1 1 A 10 10 GLU CA C 10 56.630 55.321 1.309 1
1 22 . 10 1 1 A 10 10 GLU HA H 10 4.157 4.524 -0.367 1
1 23 . 10 1 1 A 10 10 GLU CB C 10 30.424 29.825 0.599 1
1 28 . 10 1 1 A 10 10 GLU C C 10 176.283 174.966 1.317 1
1 29 . 10 1 1 A 11 11 LYS N N 11 122.818 119.616 3.202 1
1 30 . 10 1 1 A 11 11 LYS H H 11 8.319 7.371 0.948 1
1 31 . 10 1 1 A 11 11 LYS CA C 11 54.069 52.876 1.193 1
1 32 . 10 1 1 A 11 11 LYS HA H 11 4.416 4.730 -0.314 1
1 33 . 10 1 1 A 11 11 LYS CB C 11 32.659 34.111 -1.452 1
1 45 . 10 1 1 A 11 11 LYS C C 11 174.368 176.291 -1.923 1
1 46 . 10 1 1 A 12 12 PRO CA C 12 63.821 63.876 -0.055 1
1 47 . 10 1 1 A 12 12 PRO HA H 12 4.190 4.359 -0.169 1
1 48 . 10 1 1 A 12 12 PRO CB C 12 32.246 31.240 1.006 1
1 57 . 10 1 1 A 12 12 PRO C C 12 176.504 175.430 1.074 1
1 58 . 10 1 1 A 13 13 TYR N N 13 117.532 118.970 -1.438 1
1 59 . 10 1 1 A 13 13 TYR H H 13 7.808 7.466 0.342 1
1 60 . 10 1 1 A 13 13 TYR CA C 13 57.460 56.834 0.626 1
1 61 . 10 1 1 A 13 13 TYR HA H 13 4.723 5.324 -0.601 1
1 62 . 10 1 1 A 13 13 TYR CB C 13 38.681 41.815 -3.134 1
1 73 . 10 1 1 A 13 13 TYR C C 13 174.392 174.787 -0.395 1
1 74 . 10 1 1 A 14 14 LYS N N 14 125.155 121.587 3.568 1
1 75 . 10 1 1 A 14 14 LYS H H 14 8.658 8.734 -0.076 1
1 76 . 10 1 1 A 14 14 LYS CA C 14 55.182 56.102 -0.920 1
1 77 . 10 1 1 A 14 14 LYS HA H 14 4.897 5.144 -0.247 1
1 78 . 10 1 1 A 14 14 LYS CB C 14 35.362 36.048 -0.686 1
1 90 . 10 1 1 A 14 14 LYS C C 14 175.434 174.519 0.915 1
1 91 . 10 1 1 A 15 15 CYS N N 15 127.487 125.106 2.381 1
1 92 . 10 1 1 A 15 15 CYS H H 15 9.257 9.345 -0.088 1
1 93 . 10 1 1 A 15 15 CYS CA C 15 59.645 60.026 -0.381 1
1 94 . 10 1 1 A 15 15 CYS HA H 15 4.552 4.501 0.051 1
1 95 . 10 1 1 A 15 15 CYS CB C 15 29.714 28.637 1.077 1
1 98 . 10 1 1 A 15 15 CYS C C 15 177.361 176.471 0.890 1
1 99 . 10 1 1 A 16 16 SER CA C 16 61.056 59.467 1.589 1
1 100 . 10 1 1 A 16 16 SER HA H 16 4.265 4.354 -0.089 1
1 101 . 10 1 1 A 16 16 SER CB C 16 63.129 63.980 -0.851 1
1 104 . 10 1 1 A 16 16 SER C C 16 174.425 176.271 -1.846 1
1 105 . 10 1 1 A 17 17 ASP N N 17 122.836 122.036 0.800 1
1 106 . 10 1 1 A 17 17 ASP H H 17 8.675 7.792 0.883 1
1 107 . 10 1 1 A 17 17 ASP CA C 17 56.882 57.303 -0.421 1
1 108 . 10 1 1 A 17 17 ASP HA H 17 4.573 4.221 0.352 1
1 109 . 10 1 1 A 17 17 ASP CB C 17 41.393 39.750 1.643 1
1 112 . 10 1 1 A 17 17 ASP C C 17 176.693 177.749 -1.056 1
1 113 . 10 1 1 A 18 18 CYS N N 18 114.845 113.502 1.343 1
1 114 . 10 1 1 A 18 18 CYS H H 18 7.871 7.573 0.298 1
1 115 . 10 1 1 A 18 18 CYS CA C 18 58.669 59.779 -1.110 1
1 116 . 10 1 1 A 18 18 CYS HA H 18 5.149 4.683 0.466 1
1 117 . 10 1 1 A 18 18 CYS CB C 18 32.360 30.042 2.318 1
1 120 . 10 1 1 A 18 18 CYS C C 18 176.087 175.457 0.630 1
1 121 . 10 1 1 A 19 19 GLY N N 19 112.703 110.010 2.693 1
1 122 . 10 1 1 A 19 19 GLY H H 19 8.234 8.091 0.143 1
1 123 . 10 1 1 A 19 19 GLY CA C 19 46.239 45.395 0.844 1
1 124 . 10 1 1 A 19 19 GLY HA2 H 19 3.805 4.090 -0.285 1
1 125 . 10 1 1 A 19 19 GLY HA3 H 19 4.261 4.104 0.157 1
1 126 . 10 1 1 A 19 19 GLY C C 19 173.775 174.221 -0.446 1
1 127 . 10 1 1 A 20 20 LYS N N 20 123.389 119.516 3.873 1
1 128 . 10 1 1 A 20 20 LYS H H 20 8.104 7.942 0.162 1
1 129 . 10 1 1 A 20 20 LYS CA C 20 58.247 54.813 3.434 1
1 130 . 10 1 1 A 20 20 LYS HA H 20 4.062 4.601 -0.539 1
1 131 . 10 1 1 A 20 20 LYS CB C 20 33.784 34.157 -0.373 1
1 143 . 10 1 1 A 20 20 LYS C C 20 174.521 175.737 -1.216 1
1 144 . 10 1 1 A 21 21 SER N N 21 115.758 117.057 -1.299 1
1 145 . 10 1 1 A 21 21 SER H H 21 7.892 8.461 -0.569 1
1 146 . 10 1 1 A 21 21 SER CA C 21 57.156 56.655 0.501 1
1 147 . 10 1 1 A 21 21 SER HA H 21 5.346 5.596 -0.250 1
1 148 . 10 1 1 A 21 21 SER CB C 21 65.985 66.231 -0.246 1
1 151 . 10 1 1 A 21 21 SER C C 21 172.978 172.503 0.475 1
1 152 . 10 1 1 A 22 22 PHE N N 22 117.880 122.178 -4.298 1
1 153 . 10 1 1 A 22 22 PHE H H 22 8.858 8.381 0.477 1
1 154 . 10 1 1 A 22 22 PHE CA C 22 57.670 56.918 0.752 1
1 155 . 10 1 1 A 22 22 PHE HA H 22 4.809 5.001 -0.192 1
1 156 . 10 1 1 A 22 22 PHE CB C 22 43.763 43.241 0.522 1
1 169 . 10 1 1 A 22 22 PHE C C 22 175.046 175.614 -0.568 1
1 170 . 10 1 1 A 23 23 THR N N 23 119.545 116.010 3.535 1
1 171 . 10 1 1 A 23 23 THR H H 23 9.181 8.807 0.374 1
1 172 . 10 1 1 A 23 23 THR CA C 23 65.464 64.552 0.912 1
1 173 . 10 1 1 A 23 23 THR HA H 23 4.093 4.521 -0.428 1
1 174 . 10 1 1 A 23 23 THR CB C 23 69.486 69.762 -0.276 1
1 180 . 10 1 1 A 23 23 THR C C 23 173.355 174.758 -1.403 1
1 181 . 10 1 1 A 24 24 TRP N N 24 117.211 119.415 -2.204 1
1 182 . 10 1 1 A 24 24 TRP H H 24 7.379 8.094 -0.715 1
1 183 . 10 1 1 A 24 24 TRP CA C 24 55.014 56.829 -1.815 1
1 184 . 10 1 1 A 24 24 TRP HA H 24 5.262 4.807 0.455 1
1 185 . 10 1 1 A 24 24 TRP CB C 24 32.074 30.880 1.194 1
1 200 . 10 1 1 A 24 24 TRP C C 24 176.715 176.549 0.166 1
1 201 . 10 1 1 A 25 25 LYS N N 25 128.489 124.654 3.835 1
1 202 . 10 1 1 A 25 25 LYS H H 25 8.898 8.629 0.269 1
1 203 . 10 1 1 A 25 25 LYS CA C 25 59.794 59.801 -0.007 1
1 204 . 10 1 1 A 25 25 LYS HA H 25 3.170 3.290 -0.120 1
1 205 . 10 1 1 A 25 25 LYS CB C 25 31.754 31.950 -0.196 1
1 217 . 10 1 1 A 25 25 LYS C C 25 178.478 177.818 0.660 1
1 218 . 10 1 1 A 26 26 SER CA C 26 60.740 61.611 -0.871 1
1 219 . 10 1 1 A 26 26 SER HA H 26 4.015 4.058 -0.043 1
1 220 . 10 1 1 A 26 26 SER CB C 26 61.524 63.040 -1.516 1
1 223 . 10 1 1 A 26 26 SER C C 26 176.918 177.175 -0.257 1
1 224 . 10 1 1 A 27 27 ARG N N 27 120.638 121.843 -1.205 1
1 225 . 10 1 1 A 27 27 ARG H H 27 6.893 8.069 -1.176 1
1 226 . 10 1 1 A 27 27 ARG CA C 27 57.881 58.993 -1.112 1
1 227 . 10 1 1 A 27 27 ARG HA H 27 4.093 4.069 0.024 1
1 228 . 10 1 1 A 27 27 ARG CB C 27 29.682 29.977 -0.295 1
1 237 . 10 1 1 A 27 27 ARG C C 27 178.625 178.595 0.030 1
1 238 . 10 1 1 A 28 28 LEU N N 28 122.539 121.483 1.056 1
1 239 . 10 1 1 A 28 28 LEU H H 28 7.143 7.925 -0.782 1
1 240 . 10 1 1 A 28 28 LEU CA C 28 57.892 57.775 0.117 1
1 241 . 10 1 1 A 28 28 LEU HA H 28 3.096 3.139 -0.043 1
1 242 . 10 1 1 A 28 28 LEU CB C 28 40.043 41.217 -1.174 1
1 255 . 10 1 1 A 28 28 LEU C C 28 177.418 178.368 -0.950 1
1 256 . 10 1 1 A 29 29 ARG N N 29 117.943 117.902 0.041 1
1 257 . 10 1 1 A 29 29 ARG H H 29 8.015 7.819 0.196 1
1 258 . 10 1 1 A 29 29 ARG CA C 29 59.184 59.798 -0.614 1
1 259 . 10 1 1 A 29 29 ARG HA H 29 4.125 3.875 0.250 1
1 260 . 10 1 1 A 29 29 ARG CB C 29 29.612 29.888 -0.276 1
1 269 . 10 1 1 A 29 29 ARG C C 29 179.325 178.817 0.508 1
1 270 . 10 1 1 A 30 30 ILE N N 30 118.338 120.296 -1.958 1
1 271 . 10 1 1 A 30 30 ILE H H 30 7.320 7.612 -0.292 1
1 272 . 10 1 1 A 30 30 ILE CA C 30 64.473 65.059 -0.586 1
1 273 . 10 1 1 A 30 30 ILE HA H 30 3.688 3.770 -0.082 1
1 274 . 10 1 1 A 30 30 ILE CB C 30 38.505 37.680 0.825 1
1 287 . 10 1 1 A 30 30 ILE C C 30 178.655 178.606 0.049 1
1 288 . 10 1 1 A 31 31 HIS N N 31 120.313 120.029 0.284 1
1 289 . 10 1 1 A 31 31 HIS H H 31 7.695 8.386 -0.691 1
1 290 . 10 1 1 A 31 31 HIS CA C 31 59.398 60.046 -0.648 1
1 291 . 10 1 1 A 31 31 HIS HA H 31 4.270 4.201 0.069 1
1 292 . 10 1 1 A 31 31 HIS CB C 31 28.465 29.843 -1.378 1
1 299 . 10 1 1 A 31 31 HIS C C 31 177.067 177.114 -0.047 1
1 300 . 10 1 1 A 32 32 GLN N N 32 116.561 118.035 -1.474 1
1 301 . 10 1 1 A 32 32 GLN H H 32 8.559 8.103 0.456 1
1 302 . 10 1 1 A 32 32 GLN CA C 32 59.534 59.266 0.268 1
1 303 . 10 1 1 A 32 32 GLN HA H 32 3.729 3.932 -0.203 1
1 304 . 10 1 1 A 32 32 GLN CB C 32 28.512 28.469 0.043 1
1 313 . 10 1 1 A 32 32 GLN C C 32 177.525 178.644 -1.119 1
1 314 . 10 1 1 A 33 33 LYS N N 33 118.421 119.470 -1.049 1
1 315 . 10 1 1 A 33 33 LYS H H 33 7.242 7.869 -0.627 1
1 316 . 10 1 1 A 33 33 LYS CA C 33 58.469 59.600 -1.131 1
1 317 . 10 1 1 A 33 33 LYS HA H 33 4.133 4.010 0.123 1
1 318 . 10 1 1 A 33 33 LYS CB C 33 32.009 32.370 -0.361 1
1 330 . 10 1 1 A 33 33 LYS C C 33 178.287 178.780 -0.493 1
1 331 . 10 1 1 A 34 34 CYS N N 34 115.499 117.995 -2.496 1
1 332 . 10 1 1 A 34 34 CYS H H 34 7.930 7.663 0.267 1
1 333 . 10 1 1 A 34 34 CYS CA C 34 60.410 61.949 -1.539 1
1 334 . 10 1 1 A 34 34 CYS HA H 34 4.349 4.158 0.191 1
1 335 . 10 1 1 A 34 34 CYS CB C 34 26.603 27.081 -0.478 1
1 338 . 10 1 1 A 34 34 CYS C C 34 175.397 177.065 -1.668 1
1 339 . 10 1 1 A 35 35 HIS N N 35 119.063 118.594 0.469 1
1 340 . 10 1 1 A 35 35 HIS H H 35 7.391 7.638 -0.247 1
1 341 . 10 1 1 A 35 35 HIS CA C 35 55.026 58.903 -3.877 1
1 342 . 10 1 1 A 35 35 HIS HA H 35 4.926 4.366 0.560 1
1 343 . 10 1 1 A 35 35 HIS CB C 35 28.797 29.597 -0.800 1
1 350 . 10 1 1 A 35 35 HIS C C 35 175.409 175.919 -0.510 1
1 351 . 10 1 1 A 36 36 THR N N 36 112.789 109.137 3.652 1
1 352 . 10 1 1 A 36 36 THR H H 36 7.775 7.779 -0.004 1
1 353 . 10 1 1 A 36 36 THR CA C 36 62.596 61.022 1.574 1
1 354 . 10 1 1 A 36 36 THR HA H 36 4.358 4.328 0.030 1
1 355 . 10 1 1 A 36 36 THR CB C 36 69.874 68.150 1.724 1
1 361 . 10 1 1 A 36 36 THR C C 36 175.265 174.451 0.814 1
1 362 . 10 1 1 A 37 37 GLY N N 37 110.969 111.149 -0.180 1
1 363 . 10 1 1 A 37 37 GLY H H 37 8.409 7.915 0.494 1
1 364 . 10 1 1 A 37 37 GLY CA C 37 45.427 46.015 -0.588 1
1 365 . 10 1 1 A 37 37 GLY HA2 H 37 4.036 4.073 -0.037 1
1 366 . 10 1 1 A 37 37 GLY HA3 H 37 3.983 4.076 -0.093 1
1 367 . 10 1 1 A 37 37 GLY C C 37 173.997 175.684 -1.687 1
1 368 . 10 1 1 A 38 38 GLU N N 38 120.635 122.014 -1.379 1
1 369 . 10 1 1 A 38 38 GLU H H 38 8.171 8.333 -0.162 1
1 370 . 10 1 1 A 38 38 GLU CA C 38 56.637 59.182 -2.545 1
1 371 . 10 1 1 A 38 38 GLU HA H 38 4.253 4.056 0.197 1
1 372 . 10 1 1 A 38 38 GLU CB C 38 30.415 28.802 1.613 1
1 378 . 10 1 1 A 38 38 GLU C C 38 176.470 176.765 -0.295 1
1 379 . 10 1 1 A 39 39 ARG N N 39 121.782 121.790 -0.008 1
1 380 . 10 1 1 A 39 39 ARG H H 39 8.351 7.602 0.749 1
1 381 . 10 1 1 A 39 39 ARG CA C 39 56.036 56.007 0.029 1
1 382 . 10 1 1 A 39 39 ARG HA H 39 4.315 4.159 0.156 1
1 383 . 10 1 1 A 39 39 ARG CB C 39 30.779 30.775 0.004 1
1 392 . 10 1 1 A 39 39 ARG C C 39 176.053 176.048 0.005 1
1 397 . 10 1 1 A 42 42 GLY CA C 42 44.643 46.051 -1.408 1
1 398 . 10 1 1 A 42 42 GLY HA2 H 42 4.150 4.192 -0.042 1
1 399 . 10 1 1 A 42 42 GLY HA3 H 42 4.150 4.192 -0.042 1
1 400 . 10 1 1 A 43 43 PRO CA C 43 63.307 62.856 0.451 1
1 401 . 10 1 1 A 43 43 PRO HA H 43 4.501 4.492 0.009 1
1 402 . 10 1 1 A 43 43 PRO CB C 43 32.245 32.343 -0.098 1
1 411 . 10 1 1 A 43 43 PRO C C 43 174.518 176.729 -2.211 1
1 412 . 10 1 1 A 44 44 SER N N 44 116.564 115.231 1.333 1
1 413 . 10 1 1 A 44 44 SER H H 44 8.531 8.410 0.121 1
1 414 . 10 1 1 A 44 44 SER CA C 44 58.000 56.899 1.101 1
1 1 . 11 1 1 A 7 7 GLY CA C 7 45.443 44.313 1.130 1
1 2 . 11 1 1 A 7 7 GLY HA2 H 7 4.001 4.022 -0.021 1
1 3 . 11 1 1 A 7 7 GLY HA3 H 7 4.001 4.030 -0.029 1
1 4 . 11 1 1 A 7 7 GLY C C 7 174.517 174.625 -0.108 1
1 5 . 11 1 1 A 8 8 THR N N 8 112.810 113.351 -0.541 1
1 6 . 11 1 1 A 8 8 THR H H 8 8.114 8.466 -0.352 1
1 7 . 11 1 1 A 8 8 THR CA C 8 61.946 63.771 -1.825 1
1 8 . 11 1 1 A 8 8 THR HA H 8 4.359 4.392 -0.033 1
1 9 . 11 1 1 A 8 8 THR CB C 8 69.788 70.465 -0.677 1
1 15 . 11 1 1 A 8 8 THR C C 8 175.261 174.962 0.299 1
1 16 . 11 1 1 A 9 9 GLY CA C 9 45.194 46.026 -0.832 1
1 17 . 11 1 1 A 9 9 GLY HA2 H 9 3.934 3.816 0.118 1
1 18 . 11 1 1 A 9 9 GLY HA3 H 9 3.934 3.818 0.116 1
1 19 . 11 1 1 A 10 10 GLU N N 10 120.417 124.068 -3.651 1
1 20 . 11 1 1 A 10 10 GLU H H 10 8.163 8.458 -0.295 1
1 21 . 11 1 1 A 10 10 GLU CA C 10 56.630 56.656 -0.026 1
1 22 . 11 1 1 A 10 10 GLU HA H 10 4.157 4.190 -0.033 1
1 23 . 11 1 1 A 10 10 GLU CB C 10 30.424 29.801 0.623 1
1 28 . 11 1 1 A 10 10 GLU C C 10 176.283 176.338 -0.055 1
1 29 . 11 1 1 A 11 11 LYS N N 11 122.818 120.155 2.663 1
1 30 . 11 1 1 A 11 11 LYS H H 11 8.319 8.694 -0.375 1
1 31 . 11 1 1 A 11 11 LYS CA C 11 54.069 54.351 -0.282 1
1 32 . 11 1 1 A 11 11 LYS HA H 11 4.416 4.855 -0.439 1
1 33 . 11 1 1 A 11 11 LYS CB C 11 32.659 35.626 -2.967 1
1 45 . 11 1 1 A 11 11 LYS C C 11 174.368 176.094 -1.726 1
1 46 . 11 1 1 A 12 12 PRO CA C 12 63.821 63.972 -0.151 1
1 47 . 11 1 1 A 12 12 PRO HA H 12 4.190 4.276 -0.086 1
1 48 . 11 1 1 A 12 12 PRO CB C 12 32.246 31.327 0.919 1
1 57 . 11 1 1 A 12 12 PRO C C 12 176.504 175.624 0.880 1
1 58 . 11 1 1 A 13 13 TYR N N 13 117.532 118.217 -0.685 1
1 59 . 11 1 1 A 13 13 TYR H H 13 7.808 7.369 0.439 1
1 60 . 11 1 1 A 13 13 TYR CA C 13 57.460 56.650 0.810 1
1 61 . 11 1 1 A 13 13 TYR HA H 13 4.723 5.374 -0.651 1
1 62 . 11 1 1 A 13 13 TYR CB C 13 38.681 42.342 -3.661 1
1 73 . 11 1 1 A 13 13 TYR C C 13 174.392 174.100 0.292 1
1 74 . 11 1 1 A 14 14 LYS N N 14 125.155 124.032 1.123 1
1 75 . 11 1 1 A 14 14 LYS H H 14 8.658 9.101 -0.443 1
1 76 . 11 1 1 A 14 14 LYS CA C 14 55.182 54.715 0.467 1
1 77 . 11 1 1 A 14 14 LYS HA H 14 4.897 5.248 -0.351 1
1 78 . 11 1 1 A 14 14 LYS CB C 14 35.362 36.603 -1.241 1
1 90 . 11 1 1 A 14 14 LYS C C 14 175.434 175.218 0.216 1
1 91 . 11 1 1 A 15 15 CYS N N 15 127.487 125.638 1.849 1
1 92 . 11 1 1 A 15 15 CYS H H 15 9.257 9.144 0.113 1
1 93 . 11 1 1 A 15 15 CYS CA C 15 59.645 59.148 0.497 1
1 94 . 11 1 1 A 15 15 CYS HA H 15 4.552 4.652 -0.100 1
1 95 . 11 1 1 A 15 15 CYS CB C 15 29.714 28.149 1.565 1
1 98 . 11 1 1 A 15 15 CYS C C 15 177.361 176.348 1.013 1
1 99 . 11 1 1 A 16 16 SER CA C 16 61.056 60.348 0.708 1
1 100 . 11 1 1 A 16 16 SER HA H 16 4.265 4.461 -0.196 1
1 101 . 11 1 1 A 16 16 SER CB C 16 63.129 63.072 0.057 1
1 104 . 11 1 1 A 16 16 SER C C 16 174.425 176.073 -1.648 1
1 105 . 11 1 1 A 17 17 ASP N N 17 122.836 121.918 0.918 1
1 106 . 11 1 1 A 17 17 ASP H H 17 8.675 7.843 0.832 1
1 107 . 11 1 1 A 17 17 ASP CA C 17 56.882 56.654 0.228 1
1 108 . 11 1 1 A 17 17 ASP HA H 17 4.573 4.464 0.109 1
1 109 . 11 1 1 A 17 17 ASP CB C 17 41.393 41.223 0.170 1
1 112 . 11 1 1 A 17 17 ASP C C 17 176.693 177.434 -0.741 1
1 113 . 11 1 1 A 18 18 CYS N N 18 114.845 115.204 -0.359 1
1 114 . 11 1 1 A 18 18 CYS H H 18 7.871 7.782 0.089 1
1 115 . 11 1 1 A 18 18 CYS CA C 18 58.669 59.763 -1.094 1
1 116 . 11 1 1 A 18 18 CYS HA H 18 5.149 4.691 0.458 1
1 117 . 11 1 1 A 18 18 CYS CB C 18 32.360 30.018 2.342 1
1 120 . 11 1 1 A 18 18 CYS C C 18 176.087 175.402 0.685 1
1 121 . 11 1 1 A 19 19 GLY N N 19 112.703 109.784 2.919 1
1 122 . 11 1 1 A 19 19 GLY H H 19 8.234 8.041 0.193 1
1 123 . 11 1 1 A 19 19 GLY CA C 19 46.239 45.223 1.016 1
1 124 . 11 1 1 A 19 19 GLY HA2 H 19 3.805 4.096 -0.291 1
1 125 . 11 1 1 A 19 19 GLY HA3 H 19 4.261 4.110 0.151 1
1 126 . 11 1 1 A 19 19 GLY C C 19 173.775 174.321 -0.546 1
1 127 . 11 1 1 A 20 20 LYS N N 20 123.389 121.835 1.554 1
1 128 . 11 1 1 A 20 20 LYS H H 20 8.104 7.926 0.178 1
1 129 . 11 1 1 A 20 20 LYS CA C 20 58.247 55.197 3.050 1
1 130 . 11 1 1 A 20 20 LYS HA H 20 4.062 4.573 -0.511 1
1 131 . 11 1 1 A 20 20 LYS CB C 20 33.784 34.139 -0.355 1
1 143 . 11 1 1 A 20 20 LYS C C 20 174.521 175.066 -0.545 1
1 144 . 11 1 1 A 21 21 SER N N 21 115.758 115.643 0.115 1
1 145 . 11 1 1 A 21 21 SER H H 21 7.892 8.443 -0.551 1
1 146 . 11 1 1 A 21 21 SER CA C 21 57.156 55.867 1.289 1
1 147 . 11 1 1 A 21 21 SER HA H 21 5.346 5.518 -0.172 1
1 148 . 11 1 1 A 21 21 SER CB C 21 65.985 65.945 0.040 1
1 151 . 11 1 1 A 21 21 SER C C 21 172.978 173.274 -0.296 1
1 152 . 11 1 1 A 22 22 PHE N N 22 117.880 119.134 -1.254 1
1 153 . 11 1 1 A 22 22 PHE H H 22 8.858 8.791 0.067 1
1 154 . 11 1 1 A 22 22 PHE CA C 22 57.670 56.878 0.792 1
1 155 . 11 1 1 A 22 22 PHE HA H 22 4.809 4.961 -0.152 1
1 156 . 11 1 1 A 22 22 PHE CB C 22 43.763 41.361 2.402 1
1 169 . 11 1 1 A 22 22 PHE C C 22 175.046 175.763 -0.717 1
1 170 . 11 1 1 A 23 23 THR N N 23 119.545 118.862 0.683 1
1 171 . 11 1 1 A 23 23 THR H H 23 9.181 8.636 0.545 1
1 172 . 11 1 1 A 23 23 THR CA C 23 65.464 64.749 0.715 1
1 173 . 11 1 1 A 23 23 THR HA H 23 4.093 4.281 -0.188 1
1 174 . 11 1 1 A 23 23 THR CB C 23 69.486 69.595 -0.109 1
1 180 . 11 1 1 A 23 23 THR C C 23 173.355 174.407 -1.052 1
1 181 . 11 1 1 A 24 24 TRP N N 24 117.211 120.702 -3.491 1
1 182 . 11 1 1 A 24 24 TRP H H 24 7.379 8.114 -0.735 1
1 183 . 11 1 1 A 24 24 TRP CA C 24 55.014 56.763 -1.749 1
1 184 . 11 1 1 A 24 24 TRP HA H 24 5.262 5.112 0.150 1
1 185 . 11 1 1 A 24 24 TRP CB C 24 32.074 31.503 0.571 1
1 200 . 11 1 1 A 24 24 TRP C C 24 176.715 176.840 -0.125 1
1 201 . 11 1 1 A 25 25 LYS N N 25 128.489 125.010 3.479 1
1 202 . 11 1 1 A 25 25 LYS H H 25 8.898 9.149 -0.251 1
1 203 . 11 1 1 A 25 25 LYS CA C 25 59.794 59.948 -0.154 1
1 204 . 11 1 1 A 25 25 LYS HA H 25 3.170 3.468 -0.298 1
1 205 . 11 1 1 A 25 25 LYS CB C 25 31.754 32.284 -0.530 1
1 217 . 11 1 1 A 25 25 LYS C C 25 178.478 178.419 0.059 1
1 218 . 11 1 1 A 26 26 SER CA C 26 60.740 61.482 -0.742 1
1 219 . 11 1 1 A 26 26 SER HA H 26 4.015 4.235 -0.220 1
1 220 . 11 1 1 A 26 26 SER CB C 26 61.524 62.837 -1.313 1
1 223 . 11 1 1 A 26 26 SER C C 26 176.918 177.109 -0.191 1
1 224 . 11 1 1 A 27 27 ARG N N 27 120.638 122.197 -1.559 1
1 225 . 11 1 1 A 27 27 ARG H H 27 6.893 8.107 -1.214 1
1 226 . 11 1 1 A 27 27 ARG CA C 27 57.881 59.187 -1.306 1
1 227 . 11 1 1 A 27 27 ARG HA H 27 4.093 4.132 -0.039 1
1 228 . 11 1 1 A 27 27 ARG CB C 27 29.682 30.288 -0.606 1
1 237 . 11 1 1 A 27 27 ARG C C 27 178.625 178.584 0.041 1
1 238 . 11 1 1 A 28 28 LEU N N 28 122.539 121.442 1.097 1
1 239 . 11 1 1 A 28 28 LEU H H 28 7.143 7.994 -0.851 1
1 240 . 11 1 1 A 28 28 LEU CA C 28 57.892 57.670 0.222 1
1 241 . 11 1 1 A 28 28 LEU HA H 28 3.096 2.875 0.221 1
1 242 . 11 1 1 A 28 28 LEU CB C 28 40.043 41.206 -1.163 1
1 255 . 11 1 1 A 28 28 LEU C C 28 177.418 178.497 -1.079 1
1 256 . 11 1 1 A 29 29 ARG N N 29 117.943 117.938 0.005 1
1 257 . 11 1 1 A 29 29 ARG H H 29 8.015 8.117 -0.102 1
1 258 . 11 1 1 A 29 29 ARG CA C 29 59.184 59.824 -0.640 1
1 259 . 11 1 1 A 29 29 ARG HA H 29 4.125 3.844 0.281 1
1 260 . 11 1 1 A 29 29 ARG CB C 29 29.612 29.770 -0.158 1
1 269 . 11 1 1 A 29 29 ARG C C 29 179.325 178.954 0.371 1
1 270 . 11 1 1 A 30 30 ILE N N 30 118.338 119.326 -0.988 1
1 271 . 11 1 1 A 30 30 ILE H H 30 7.320 7.990 -0.670 1
1 272 . 11 1 1 A 30 30 ILE CA C 30 64.473 64.147 0.326 1
1 273 . 11 1 1 A 30 30 ILE HA H 30 3.688 3.705 -0.017 1
1 274 . 11 1 1 A 30 30 ILE CB C 30 38.505 37.391 1.114 1
1 287 . 11 1 1 A 30 30 ILE C C 30 178.655 178.062 0.593 1
1 288 . 11 1 1 A 31 31 HIS N N 31 120.313 120.822 -0.509 1
1 289 . 11 1 1 A 31 31 HIS H H 31 7.695 7.970 -0.275 1
1 290 . 11 1 1 A 31 31 HIS CA C 31 59.398 58.571 0.827 1
1 291 . 11 1 1 A 31 31 HIS HA H 31 4.270 4.163 0.107 1
1 292 . 11 1 1 A 31 31 HIS CB C 31 28.465 29.893 -1.428 1
1 299 . 11 1 1 A 31 31 HIS C C 31 177.067 177.225 -0.158 1
1 300 . 11 1 1 A 32 32 GLN N N 32 116.561 118.570 -2.009 1
1 301 . 11 1 1 A 32 32 GLN H H 32 8.559 8.220 0.339 1
1 302 . 11 1 1 A 32 32 GLN CA C 32 59.534 59.233 0.301 1
1 303 . 11 1 1 A 32 32 GLN HA H 32 3.729 3.772 -0.043 1
1 304 . 11 1 1 A 32 32 GLN CB C 32 28.512 28.172 0.340 1
1 313 . 11 1 1 A 32 32 GLN C C 32 177.525 178.109 -0.584 1
1 314 . 11 1 1 A 33 33 LYS N N 33 118.421 118.378 0.043 1
1 315 . 11 1 1 A 33 33 LYS H H 33 7.242 7.616 -0.374 1
1 316 . 11 1 1 A 33 33 LYS CA C 33 58.469 59.071 -0.602 1
1 317 . 11 1 1 A 33 33 LYS HA H 33 4.133 4.082 0.051 1
1 318 . 11 1 1 A 33 33 LYS CB C 33 32.009 32.299 -0.290 1
1 330 . 11 1 1 A 33 33 LYS C C 33 178.287 178.557 -0.270 1
1 331 . 11 1 1 A 34 34 CYS N N 34 115.499 118.466 -2.967 1
1 332 . 11 1 1 A 34 34 CYS H H 34 7.930 8.117 -0.187 1
1 333 . 11 1 1 A 34 34 CYS CA C 34 60.410 62.612 -2.202 1
1 334 . 11 1 1 A 34 34 CYS HA H 34 4.349 3.981 0.368 1
1 335 . 11 1 1 A 34 34 CYS CB C 34 26.603 26.821 -0.218 1
1 338 . 11 1 1 A 34 34 CYS C C 34 175.397 177.288 -1.891 1
1 339 . 11 1 1 A 35 35 HIS N N 35 119.063 118.389 0.674 1
1 340 . 11 1 1 A 35 35 HIS H H 35 7.391 7.180 0.211 1
1 341 . 11 1 1 A 35 35 HIS CA C 35 55.026 59.411 -4.385 1
1 342 . 11 1 1 A 35 35 HIS HA H 35 4.926 4.369 0.557 1
1 343 . 11 1 1 A 35 35 HIS CB C 35 28.797 29.948 -1.151 1
1 350 . 11 1 1 A 35 35 HIS C C 35 175.409 175.849 -0.440 1
1 351 . 11 1 1 A 36 36 THR N N 36 112.789 110.411 2.378 1
1 352 . 11 1 1 A 36 36 THR H H 36 7.775 7.155 0.620 1
1 353 . 11 1 1 A 36 36 THR CA C 36 62.596 62.604 -0.008 1
1 354 . 11 1 1 A 36 36 THR HA H 36 4.358 4.257 0.101 1
1 355 . 11 1 1 A 36 36 THR CB C 36 69.874 69.659 0.215 1
1 361 . 11 1 1 A 36 36 THR C C 36 175.265 174.749 0.516 1
1 362 . 11 1 1 A 37 37 GLY N N 37 110.969 110.874 0.095 1
1 363 . 11 1 1 A 37 37 GLY H H 37 8.409 8.664 -0.255 1
1 364 . 11 1 1 A 37 37 GLY CA C 37 45.427 44.731 0.696 1
1 365 . 11 1 1 A 37 37 GLY HA2 H 37 4.036 4.179 -0.143 1
1 366 . 11 1 1 A 37 37 GLY HA3 H 37 3.983 4.205 -0.222 1
1 367 . 11 1 1 A 37 37 GLY C C 37 173.997 173.997 0.000 1
1 368 . 11 1 1 A 38 38 GLU N N 38 120.635 122.010 -1.375 1
1 369 . 11 1 1 A 38 38 GLU H H 38 8.171 8.694 -0.523 1
1 370 . 11 1 1 A 38 38 GLU CA C 38 56.637 56.000 0.637 1
1 371 . 11 1 1 A 38 38 GLU HA H 38 4.253 4.277 -0.024 1
1 372 . 11 1 1 A 38 38 GLU CB C 38 30.415 29.040 1.375 1
1 378 . 11 1 1 A 38 38 GLU C C 38 176.470 175.520 0.950 1
1 379 . 11 1 1 A 39 39 ARG N N 39 121.782 116.881 4.901 1
1 380 . 11 1 1 A 39 39 ARG H H 39 8.351 7.572 0.779 1
1 381 . 11 1 1 A 39 39 ARG CA C 39 56.036 55.116 0.920 1
1 382 . 11 1 1 A 39 39 ARG HA H 39 4.315 4.521 -0.206 1
1 383 . 11 1 1 A 39 39 ARG CB C 39 30.779 33.461 -2.682 1
1 392 . 11 1 1 A 39 39 ARG C C 39 176.053 174.447 1.606 1
1 397 . 11 1 1 A 42 42 GLY CA C 42 44.643 44.515 0.128 1
1 398 . 11 1 1 A 42 42 GLY HA2 H 42 4.150 4.058 0.092 1
1 399 . 11 1 1 A 42 42 GLY HA3 H 42 4.150 4.062 0.088 1
1 400 . 11 1 1 A 43 43 PRO CA C 43 63.307 64.844 -1.537 1
1 401 . 11 1 1 A 43 43 PRO HA H 43 4.501 4.421 0.080 1
1 402 . 11 1 1 A 43 43 PRO CB C 43 32.245 32.144 0.101 1
1 411 . 11 1 1 A 43 43 PRO C C 43 174.518 176.393 -1.875 1
1 412 . 11 1 1 A 44 44 SER N N 44 116.564 114.141 2.423 1
1 413 . 11 1 1 A 44 44 SER H H 44 8.531 7.726 0.805 1
1 414 . 11 1 1 A 44 44 SER CA C 44 58.000 57.436 0.564 1
1 1 . 12 1 1 A 7 7 GLY CA C 7 45.443 44.196 1.247 1
1 2 . 12 1 1 A 7 7 GLY HA2 H 7 4.001 4.144 -0.143 1
1 3 . 12 1 1 A 7 7 GLY HA3 H 7 4.001 4.145 -0.144 1
1 4 . 12 1 1 A 7 7 GLY C C 7 174.517 174.515 0.002 1
1 5 . 12 1 1 A 8 8 THR N N 8 112.810 114.060 -1.250 1
1 6 . 12 1 1 A 8 8 THR H H 8 8.114 8.568 -0.454 1
1 7 . 12 1 1 A 8 8 THR CA C 8 61.946 63.771 -1.825 1
1 8 . 12 1 1 A 8 8 THR HA H 8 4.359 4.356 0.003 1
1 9 . 12 1 1 A 8 8 THR CB C 8 69.788 69.848 -0.060 1
1 15 . 12 1 1 A 8 8 THR C C 8 175.261 175.425 -0.164 1
1 16 . 12 1 1 A 9 9 GLY CA C 9 45.194 46.555 -1.361 1
1 17 . 12 1 1 A 9 9 GLY HA2 H 9 3.934 3.931 0.003 1
1 18 . 12 1 1 A 9 9 GLY HA3 H 9 3.934 3.937 -0.003 1
1 19 . 12 1 1 A 10 10 GLU N N 10 120.417 120.892 -0.475 1
1 20 . 12 1 1 A 10 10 GLU H H 10 8.163 8.051 0.112 1
1 21 . 12 1 1 A 10 10 GLU CA C 10 56.630 55.689 0.941 1
1 22 . 12 1 1 A 10 10 GLU HA H 10 4.157 4.573 -0.416 1
1 23 . 12 1 1 A 10 10 GLU CB C 10 30.424 30.493 -0.069 1
1 28 . 12 1 1 A 10 10 GLU C C 10 176.283 175.148 1.135 1
1 29 . 12 1 1 A 11 11 LYS N N 11 122.818 126.816 -3.998 1
1 30 . 12 1 1 A 11 11 LYS H H 11 8.319 8.425 -0.106 1
1 31 . 12 1 1 A 11 11 LYS CA C 11 54.069 53.456 0.613 1
1 32 . 12 1 1 A 11 11 LYS HA H 11 4.416 4.916 -0.500 1
1 33 . 12 1 1 A 11 11 LYS CB C 11 32.659 33.134 -0.475 1
1 45 . 12 1 1 A 11 11 LYS C C 11 174.368 175.117 -0.749 1
1 46 . 12 1 1 A 12 12 PRO CA C 12 63.821 63.789 0.032 1
1 47 . 12 1 1 A 12 12 PRO HA H 12 4.190 4.312 -0.122 1
1 48 . 12 1 1 A 12 12 PRO CB C 12 32.246 30.918 1.328 1
1 57 . 12 1 1 A 12 12 PRO C C 12 176.504 175.629 0.875 1
1 58 . 12 1 1 A 13 13 TYR N N 13 117.532 119.141 -1.609 1
1 59 . 12 1 1 A 13 13 TYR H H 13 7.808 7.411 0.397 1
1 60 . 12 1 1 A 13 13 TYR CA C 13 57.460 56.822 0.638 1
1 61 . 12 1 1 A 13 13 TYR HA H 13 4.723 5.384 -0.661 1
1 62 . 12 1 1 A 13 13 TYR CB C 13 38.681 41.013 -2.332 1
1 73 . 12 1 1 A 13 13 TYR C C 13 174.392 174.174 0.218 1
1 74 . 12 1 1 A 14 14 LYS N N 14 125.155 124.654 0.501 1
1 75 . 12 1 1 A 14 14 LYS H H 14 8.658 9.088 -0.430 1
1 76 . 12 1 1 A 14 14 LYS CA C 14 55.182 54.720 0.462 1
1 77 . 12 1 1 A 14 14 LYS HA H 14 4.897 5.533 -0.636 1
1 78 . 12 1 1 A 14 14 LYS CB C 14 35.362 36.367 -1.005 1
1 90 . 12 1 1 A 14 14 LYS C C 14 175.434 175.393 0.041 1
1 91 . 12 1 1 A 15 15 CYS N N 15 127.487 125.753 1.734 1
1 92 . 12 1 1 A 15 15 CYS H H 15 9.257 9.686 -0.429 1
1 93 . 12 1 1 A 15 15 CYS CA C 15 59.645 60.271 -0.626 1
1 94 . 12 1 1 A 15 15 CYS HA H 15 4.552 4.553 -0.001 1
1 95 . 12 1 1 A 15 15 CYS CB C 15 29.714 28.299 1.415 1
1 98 . 12 1 1 A 15 15 CYS C C 15 177.361 175.610 1.751 1
1 99 . 12 1 1 A 16 16 SER CA C 16 61.056 60.584 0.472 1
1 100 . 12 1 1 A 16 16 SER HA H 16 4.265 4.325 -0.060 1
1 101 . 12 1 1 A 16 16 SER CB C 16 63.129 63.627 -0.498 1
1 104 . 12 1 1 A 16 16 SER C C 16 174.425 176.198 -1.773 1
1 105 . 12 1 1 A 17 17 ASP N N 17 122.836 121.482 1.354 1
1 106 . 12 1 1 A 17 17 ASP H H 17 8.675 7.779 0.896 1
1 107 . 12 1 1 A 17 17 ASP CA C 17 56.882 57.390 -0.508 1
1 108 . 12 1 1 A 17 17 ASP HA H 17 4.573 4.202 0.371 1
1 109 . 12 1 1 A 17 17 ASP CB C 17 41.393 39.703 1.690 1
1 112 . 12 1 1 A 17 17 ASP C C 17 176.693 177.717 -1.024 1
1 113 . 12 1 1 A 18 18 CYS N N 18 114.845 113.448 1.397 1
1 114 . 12 1 1 A 18 18 CYS H H 18 7.871 7.435 0.436 1
1 115 . 12 1 1 A 18 18 CYS CA C 18 58.669 59.744 -1.075 1
1 116 . 12 1 1 A 18 18 CYS HA H 18 5.149 4.653 0.496 1
1 117 . 12 1 1 A 18 18 CYS CB C 18 32.360 29.931 2.429 1
1 120 . 12 1 1 A 18 18 CYS C C 18 176.087 175.429 0.658 1
1 121 . 12 1 1 A 19 19 GLY N N 19 112.703 109.993 2.710 1
1 122 . 12 1 1 A 19 19 GLY H H 19 8.234 8.046 0.188 1
1 123 . 12 1 1 A 19 19 GLY CA C 19 46.239 45.227 1.012 1
1 124 . 12 1 1 A 19 19 GLY HA2 H 19 3.805 4.090 -0.285 1
1 125 . 12 1 1 A 19 19 GLY HA3 H 19 4.261 4.110 0.151 1
1 126 . 12 1 1 A 19 19 GLY C C 19 173.775 174.417 -0.642 1
1 127 . 12 1 1 A 20 20 LYS N N 20 123.389 122.171 1.218 1
1 128 . 12 1 1 A 20 20 LYS H H 20 8.104 8.038 0.066 1
1 129 . 12 1 1 A 20 20 LYS CA C 20 58.247 55.359 2.888 1
1 130 . 12 1 1 A 20 20 LYS HA H 20 4.062 4.455 -0.393 1
1 131 . 12 1 1 A 20 20 LYS CB C 20 33.784 33.636 0.148 1
1 143 . 12 1 1 A 20 20 LYS C C 20 174.521 175.784 -1.263 1
1 144 . 12 1 1 A 21 21 SER N N 21 115.758 117.560 -1.802 1
1 145 . 12 1 1 A 21 21 SER H H 21 7.892 8.388 -0.496 1
1 146 . 12 1 1 A 21 21 SER CA C 21 57.156 56.756 0.400 1
1 147 . 12 1 1 A 21 21 SER HA H 21 5.346 5.432 -0.086 1
1 148 . 12 1 1 A 21 21 SER CB C 21 65.985 65.240 0.745 1
1 151 . 12 1 1 A 21 21 SER C C 21 172.978 173.304 -0.326 1
1 152 . 12 1 1 A 22 22 PHE N N 22 117.880 119.378 -1.498 1
1 153 . 12 1 1 A 22 22 PHE H H 22 8.858 9.231 -0.373 1
1 154 . 12 1 1 A 22 22 PHE CA C 22 57.670 56.511 1.159 1
1 155 . 12 1 1 A 22 22 PHE HA H 22 4.809 4.996 -0.187 1
1 156 . 12 1 1 A 22 22 PHE CB C 22 43.763 44.177 -0.414 1
1 169 . 12 1 1 A 22 22 PHE C C 22 175.046 175.556 -0.510 1
1 170 . 12 1 1 A 23 23 THR N N 23 119.545 114.845 4.700 1
1 171 . 12 1 1 A 23 23 THR H H 23 9.181 8.801 0.380 1
1 172 . 12 1 1 A 23 23 THR CA C 23 65.464 64.101 1.363 1
1 173 . 12 1 1 A 23 23 THR HA H 23 4.093 4.542 -0.449 1
1 174 . 12 1 1 A 23 23 THR CB C 23 69.486 70.266 -0.780 1
1 180 . 12 1 1 A 23 23 THR C C 23 173.355 174.738 -1.383 1
1 181 . 12 1 1 A 24 24 TRP N N 24 117.211 119.623 -2.412 1
1 182 . 12 1 1 A 24 24 TRP H H 24 7.379 8.155 -0.776 1
1 183 . 12 1 1 A 24 24 TRP CA C 24 55.014 56.618 -1.604 1
1 184 . 12 1 1 A 24 24 TRP HA H 24 5.262 5.178 0.084 1
1 185 . 12 1 1 A 24 24 TRP CB C 24 32.074 31.638 0.436 1
1 200 . 12 1 1 A 24 24 TRP C C 24 176.715 176.530 0.185 1
1 201 . 12 1 1 A 25 25 LYS N N 25 128.489 124.980 3.509 1
1 202 . 12 1 1 A 25 25 LYS H H 25 8.898 9.199 -0.301 1
1 203 . 12 1 1 A 25 25 LYS CA C 25 59.794 59.285 0.509 1
1 204 . 12 1 1 A 25 25 LYS HA H 25 3.170 3.586 -0.416 1
1 205 . 12 1 1 A 25 25 LYS CB C 25 31.754 32.530 -0.776 1
1 217 . 12 1 1 A 25 25 LYS C C 25 178.478 178.551 -0.073 1
1 218 . 12 1 1 A 26 26 SER CA C 26 60.740 62.041 -1.301 1
1 219 . 12 1 1 A 26 26 SER HA H 26 4.015 4.031 -0.016 1
1 220 . 12 1 1 A 26 26 SER CB C 26 61.524 63.006 -1.482 1
1 223 . 12 1 1 A 26 26 SER C C 26 176.918 176.788 0.130 1
1 224 . 12 1 1 A 27 27 ARG N N 27 120.638 122.239 -1.601 1
1 225 . 12 1 1 A 27 27 ARG H H 27 6.893 8.060 -1.167 1
1 226 . 12 1 1 A 27 27 ARG CA C 27 57.881 59.011 -1.130 1
1 227 . 12 1 1 A 27 27 ARG HA H 27 4.093 4.077 0.016 1
1 228 . 12 1 1 A 27 27 ARG CB C 27 29.682 30.029 -0.347 1
1 237 . 12 1 1 A 27 27 ARG C C 27 178.625 178.379 0.246 1
1 238 . 12 1 1 A 28 28 LEU N N 28 122.539 121.489 1.050 1
1 239 . 12 1 1 A 28 28 LEU H H 28 7.143 7.734 -0.591 1
1 240 . 12 1 1 A 28 28 LEU CA C 28 57.892 57.703 0.189 1
1 241 . 12 1 1 A 28 28 LEU HA H 28 3.096 3.236 -0.140 1
1 242 . 12 1 1 A 28 28 LEU CB C 28 40.043 41.253 -1.210 1
1 255 . 12 1 1 A 28 28 LEU C C 28 177.418 178.550 -1.132 1
1 256 . 12 1 1 A 29 29 ARG N N 29 117.943 118.152 -0.209 1
1 257 . 12 1 1 A 29 29 ARG H H 29 8.015 8.123 -0.108 1
1 258 . 12 1 1 A 29 29 ARG CA C 29 59.184 59.784 -0.600 1
1 259 . 12 1 1 A 29 29 ARG HA H 29 4.125 3.857 0.268 1
1 260 . 12 1 1 A 29 29 ARG CB C 29 29.612 29.840 -0.228 1
1 269 . 12 1 1 A 29 29 ARG C C 29 179.325 178.894 0.431 1
1 270 . 12 1 1 A 30 30 ILE N N 30 118.338 120.711 -2.373 1
1 271 . 12 1 1 A 30 30 ILE H H 30 7.320 7.547 -0.227 1
1 272 . 12 1 1 A 30 30 ILE CA C 30 64.473 65.471 -0.998 1
1 273 . 12 1 1 A 30 30 ILE HA H 30 3.688 3.563 0.125 1
1 274 . 12 1 1 A 30 30 ILE CB C 30 38.505 37.977 0.528 1
1 287 . 12 1 1 A 30 30 ILE C C 30 178.655 178.082 0.573 1
1 288 . 12 1 1 A 31 31 HIS N N 31 120.313 118.806 1.507 1
1 289 . 12 1 1 A 31 31 HIS H H 31 7.695 8.129 -0.434 1
1 290 . 12 1 1 A 31 31 HIS CA C 31 59.398 60.291 -0.893 1
1 291 . 12 1 1 A 31 31 HIS HA H 31 4.270 4.082 0.188 1
1 292 . 12 1 1 A 31 31 HIS CB C 31 28.465 29.789 -1.324 1
1 299 . 12 1 1 A 31 31 HIS C C 31 177.067 176.695 0.372 1
1 300 . 12 1 1 A 32 32 GLN N N 32 116.561 119.207 -2.646 1
1 301 . 12 1 1 A 32 32 GLN H H 32 8.559 8.126 0.433 1
1 302 . 12 1 1 A 32 32 GLN CA C 32 59.534 59.316 0.218 1
1 303 . 12 1 1 A 32 32 GLN HA H 32 3.729 3.829 -0.100 1
1 304 . 12 1 1 A 32 32 GLN CB C 32 28.512 28.077 0.435 1
1 313 . 12 1 1 A 32 32 GLN C C 32 177.525 179.068 -1.543 1
1 314 . 12 1 1 A 33 33 LYS N N 33 118.421 118.993 -0.572 1
1 315 . 12 1 1 A 33 33 LYS H H 33 7.242 7.702 -0.460 1
1 316 . 12 1 1 A 33 33 LYS CA C 33 58.469 59.428 -0.959 1
1 317 . 12 1 1 A 33 33 LYS HA H 33 4.133 3.999 0.134 1
1 318 . 12 1 1 A 33 33 LYS CB C 33 32.009 32.250 -0.241 1
1 330 . 12 1 1 A 33 33 LYS C C 33 178.287 179.473 -1.186 1
1 331 . 12 1 1 A 34 34 CYS N N 34 115.499 118.487 -2.988 1
1 332 . 12 1 1 A 34 34 CYS H H 34 7.930 7.478 0.452 1
1 333 . 12 1 1 A 34 34 CYS CA C 34 60.410 62.659 -2.249 1
1 334 . 12 1 1 A 34 34 CYS HA H 34 4.349 4.075 0.274 1
1 335 . 12 1 1 A 34 34 CYS CB C 34 26.603 27.192 -0.589 1
1 338 . 12 1 1 A 34 34 CYS C C 34 175.397 176.256 -0.859 1
1 339 . 12 1 1 A 35 35 HIS N N 35 119.063 117.904 1.159 1
1 340 . 12 1 1 A 35 35 HIS H H 35 7.391 8.058 -0.667 1
1 341 . 12 1 1 A 35 35 HIS CA C 35 55.026 54.496 0.530 1
1 342 . 12 1 1 A 35 35 HIS HA H 35 4.926 4.661 0.265 1
1 343 . 12 1 1 A 35 35 HIS CB C 35 28.797 27.193 1.604 1
1 350 . 12 1 1 A 35 35 HIS C C 35 175.409 175.202 0.207 1
1 351 . 12 1 1 A 36 36 THR N N 36 112.789 110.564 2.225 1
1 352 . 12 1 1 A 36 36 THR H H 36 7.775 7.955 -0.180 1
1 353 . 12 1 1 A 36 36 THR CA C 36 62.596 62.198 0.398 1
1 354 . 12 1 1 A 36 36 THR HA H 36 4.358 4.579 -0.221 1
1 355 . 12 1 1 A 36 36 THR CB C 36 69.874 70.372 -0.498 1
1 361 . 12 1 1 A 36 36 THR C C 36 175.265 175.462 -0.197 1
1 362 . 12 1 1 A 37 37 GLY N N 37 110.969 111.008 -0.039 1
1 363 . 12 1 1 A 37 37 GLY H H 37 8.409 7.808 0.601 1
1 364 . 12 1 1 A 37 37 GLY CA C 37 45.427 44.428 0.999 1
1 365 . 12 1 1 A 37 37 GLY HA2 H 37 4.036 4.027 0.009 1
1 366 . 12 1 1 A 37 37 GLY HA3 H 37 3.983 4.036 -0.053 1
1 367 . 12 1 1 A 37 37 GLY C C 37 173.997 173.578 0.419 1
1 368 . 12 1 1 A 38 38 GLU N N 38 120.635 120.005 0.630 1
1 369 . 12 1 1 A 38 38 GLU H H 38 8.171 8.347 -0.176 1
1 370 . 12 1 1 A 38 38 GLU CA C 38 56.637 56.299 0.338 1
1 371 . 12 1 1 A 38 38 GLU HA H 38 4.253 4.283 -0.030 1
1 372 . 12 1 1 A 38 38 GLU CB C 38 30.415 30.379 0.036 1
1 378 . 12 1 1 A 38 38 GLU C C 38 176.470 175.615 0.855 1
1 379 . 12 1 1 A 39 39 ARG N N 39 121.782 121.480 0.302 1
1 380 . 12 1 1 A 39 39 ARG H H 39 8.351 8.377 -0.026 1
1 381 . 12 1 1 A 39 39 ARG CA C 39 56.036 55.665 0.371 1
1 382 . 12 1 1 A 39 39 ARG HA H 39 4.315 4.827 -0.512 1
1 383 . 12 1 1 A 39 39 ARG CB C 39 30.779 33.878 -3.099 1
1 392 . 12 1 1 A 39 39 ARG C C 39 176.053 175.804 0.249 1
1 397 . 12 1 1 A 42 42 GLY CA C 42 44.643 45.908 -1.265 1
1 398 . 12 1 1 A 42 42 GLY HA2 H 42 4.150 4.468 -0.318 1
1 399 . 12 1 1 A 42 42 GLY HA3 H 42 4.150 4.475 -0.325 1
1 400 . 12 1 1 A 43 43 PRO CA C 43 63.307 62.939 0.368 1
1 401 . 12 1 1 A 43 43 PRO HA H 43 4.501 4.634 -0.133 1
1 402 . 12 1 1 A 43 43 PRO CB C 43 32.245 31.794 0.451 1
1 411 . 12 1 1 A 43 43 PRO C C 43 174.518 175.574 -1.056 1
1 412 . 12 1 1 A 44 44 SER N N 44 116.564 118.538 -1.974 1
1 413 . 12 1 1 A 44 44 SER H H 44 8.531 8.619 -0.088 1
1 414 . 12 1 1 A 44 44 SER CA C 44 58.000 56.637 1.363 1
1 1 . 13 1 1 A 7 7 GLY CA C 7 45.443 44.754 0.689 1
1 2 . 13 1 1 A 7 7 GLY HA2 H 7 4.001 4.186 -0.185 1
1 3 . 13 1 1 A 7 7 GLY HA3 H 7 4.001 4.186 -0.185 1
1 4 . 13 1 1 A 7 7 GLY C C 7 174.517 173.200 1.317 1
1 5 . 13 1 1 A 8 8 THR N N 8 112.810 118.931 -6.121 1
1 6 . 13 1 1 A 8 8 THR H H 8 8.114 8.691 -0.577 1
1 7 . 13 1 1 A 8 8 THR CA C 8 61.946 63.684 -1.738 1
1 8 . 13 1 1 A 8 8 THR HA H 8 4.359 4.389 -0.030 1
1 9 . 13 1 1 A 8 8 THR CB C 8 69.788 68.894 0.894 1
1 15 . 13 1 1 A 8 8 THR C C 8 175.261 174.899 0.362 1
1 16 . 13 1 1 A 9 9 GLY CA C 9 45.194 45.903 -0.709 1
1 17 . 13 1 1 A 9 9 GLY HA2 H 9 3.934 4.039 -0.105 1
1 18 . 13 1 1 A 9 9 GLY HA3 H 9 3.934 4.040 -0.106 1
1 19 . 13 1 1 A 10 10 GLU N N 10 120.417 125.452 -5.035 1
1 20 . 13 1 1 A 10 10 GLU H H 10 8.163 8.967 -0.804 1
1 21 . 13 1 1 A 10 10 GLU CA C 10 56.630 57.641 -1.011 1
1 22 . 13 1 1 A 10 10 GLU HA H 10 4.157 4.497 -0.340 1
1 23 . 13 1 1 A 10 10 GLU CB C 10 30.424 32.294 -1.870 1
1 28 . 13 1 1 A 10 10 GLU C C 10 176.283 176.755 -0.472 1
1 29 . 13 1 1 A 11 11 LYS N N 11 122.818 119.938 2.880 1
1 30 . 13 1 1 A 11 11 LYS H H 11 8.319 7.494 0.825 1
1 31 . 13 1 1 A 11 11 LYS CA C 11 54.069 54.239 -0.170 1
1 32 . 13 1 1 A 11 11 LYS HA H 11 4.416 4.396 0.020 1
1 33 . 13 1 1 A 11 11 LYS CB C 11 32.659 31.708 0.951 1
1 45 . 13 1 1 A 11 11 LYS C C 11 174.368 176.269 -1.901 1
1 46 . 13 1 1 A 12 12 PRO CA C 12 63.821 63.705 0.116 1
1 47 . 13 1 1 A 12 12 PRO HA H 12 4.190 4.281 -0.091 1
1 48 . 13 1 1 A 12 12 PRO CB C 12 32.246 30.998 1.248 1
1 57 . 13 1 1 A 12 12 PRO C C 12 176.504 175.455 1.049 1
1 58 . 13 1 1 A 13 13 TYR N N 13 117.532 119.163 -1.631 1
1 59 . 13 1 1 A 13 13 TYR H H 13 7.808 7.320 0.488 1
1 60 . 13 1 1 A 13 13 TYR CA C 13 57.460 56.650 0.810 1
1 61 . 13 1 1 A 13 13 TYR HA H 13 4.723 5.352 -0.629 1
1 62 . 13 1 1 A 13 13 TYR CB C 13 38.681 42.499 -3.818 1
1 73 . 13 1 1 A 13 13 TYR C C 13 174.392 174.354 0.038 1
1 74 . 13 1 1 A 14 14 LYS N N 14 125.155 123.148 2.007 1
1 75 . 13 1 1 A 14 14 LYS H H 14 8.658 8.785 -0.127 1
1 76 . 13 1 1 A 14 14 LYS CA C 14 55.182 55.873 -0.691 1
1 77 . 13 1 1 A 14 14 LYS HA H 14 4.897 5.152 -0.255 1
1 78 . 13 1 1 A 14 14 LYS CB C 14 35.362 36.659 -1.297 1
1 90 . 13 1 1 A 14 14 LYS C C 14 175.434 174.234 1.200 1
1 91 . 13 1 1 A 15 15 CYS N N 15 127.487 124.994 2.493 1
1 92 . 13 1 1 A 15 15 CYS H H 15 9.257 9.651 -0.394 1
1 93 . 13 1 1 A 15 15 CYS CA C 15 59.645 59.137 0.508 1
1 94 . 13 1 1 A 15 15 CYS HA H 15 4.552 4.566 -0.014 1
1 95 . 13 1 1 A 15 15 CYS CB C 15 29.714 29.262 0.452 1
1 98 . 13 1 1 A 15 15 CYS C C 15 177.361 175.093 2.268 1
1 99 . 13 1 1 A 16 16 SER CA C 16 61.056 60.106 0.950 1
1 100 . 13 1 1 A 16 16 SER HA H 16 4.265 4.525 -0.260 1
1 101 . 13 1 1 A 16 16 SER CB C 16 63.129 63.777 -0.648 1
1 104 . 13 1 1 A 16 16 SER C C 16 174.425 175.559 -1.134 1
1 105 . 13 1 1 A 17 17 ASP N N 17 122.836 121.561 1.275 1
1 106 . 13 1 1 A 17 17 ASP H H 17 8.675 7.874 0.801 1
1 107 . 13 1 1 A 17 17 ASP CA C 17 56.882 57.446 -0.564 1
1 108 . 13 1 1 A 17 17 ASP HA H 17 4.573 4.297 0.276 1
1 109 . 13 1 1 A 17 17 ASP CB C 17 41.393 41.270 0.123 1
1 112 . 13 1 1 A 17 17 ASP C C 17 176.693 177.642 -0.949 1
1 113 . 13 1 1 A 18 18 CYS N N 18 114.845 114.899 -0.054 1
1 114 . 13 1 1 A 18 18 CYS H H 18 7.871 7.875 -0.004 1
1 115 . 13 1 1 A 18 18 CYS CA C 18 58.669 59.861 -1.192 1
1 116 . 13 1 1 A 18 18 CYS HA H 18 5.149 4.529 0.620 1
1 117 . 13 1 1 A 18 18 CYS CB C 18 32.360 29.406 2.954 1
1 120 . 13 1 1 A 18 18 CYS C C 18 176.087 175.318 0.769 1
1 121 . 13 1 1 A 19 19 GLY N N 19 112.703 110.145 2.558 1
1 122 . 13 1 1 A 19 19 GLY H H 19 8.234 8.258 -0.024 1
1 123 . 13 1 1 A 19 19 GLY CA C 19 46.239 45.380 0.859 1
1 124 . 13 1 1 A 19 19 GLY HA2 H 19 3.805 4.086 -0.281 1
1 125 . 13 1 1 A 19 19 GLY HA3 H 19 4.261 4.111 0.150 1
1 126 . 13 1 1 A 19 19 GLY C C 19 173.775 174.074 -0.299 1
1 127 . 13 1 1 A 20 20 LYS N N 20 123.389 119.659 3.730 1
1 128 . 13 1 1 A 20 20 LYS H H 20 8.104 7.957 0.147 1
1 129 . 13 1 1 A 20 20 LYS CA C 20 58.247 54.295 3.952 1
1 130 . 13 1 1 A 20 20 LYS HA H 20 4.062 4.675 -0.613 1
1 131 . 13 1 1 A 20 20 LYS CB C 20 33.784 34.302 -0.518 1
1 143 . 13 1 1 A 20 20 LYS C C 20 174.521 175.265 -0.744 1
1 144 . 13 1 1 A 21 21 SER N N 21 115.758 117.151 -1.393 1
1 145 . 13 1 1 A 21 21 SER H H 21 7.892 8.681 -0.789 1
1 146 . 13 1 1 A 21 21 SER CA C 21 57.156 56.430 0.726 1
1 147 . 13 1 1 A 21 21 SER HA H 21 5.346 5.459 -0.113 1
1 148 . 13 1 1 A 21 21 SER CB C 21 65.985 66.157 -0.172 1
1 151 . 13 1 1 A 21 21 SER C C 21 172.978 173.448 -0.470 1
1 152 . 13 1 1 A 22 22 PHE N N 22 117.880 123.336 -5.456 1
1 153 . 13 1 1 A 22 22 PHE H H 22 8.858 9.113 -0.255 1
1 154 . 13 1 1 A 22 22 PHE CA C 22 57.670 56.915 0.755 1
1 155 . 13 1 1 A 22 22 PHE HA H 22 4.809 5.000 -0.191 1
1 156 . 13 1 1 A 22 22 PHE CB C 22 43.763 43.063 0.700 1
1 169 . 13 1 1 A 22 22 PHE C C 22 175.046 175.891 -0.845 1
1 170 . 13 1 1 A 23 23 THR N N 23 119.545 116.141 3.404 1
1 171 . 13 1 1 A 23 23 THR H H 23 9.181 8.888 0.293 1
1 172 . 13 1 1 A 23 23 THR CA C 23 65.464 63.513 1.951 1
1 173 . 13 1 1 A 23 23 THR HA H 23 4.093 4.598 -0.505 1
1 174 . 13 1 1 A 23 23 THR CB C 23 69.486 69.713 -0.227 1
1 180 . 13 1 1 A 23 23 THR C C 23 173.355 175.083 -1.728 1
1 181 . 13 1 1 A 24 24 TRP N N 24 117.211 120.325 -3.114 1
1 182 . 13 1 1 A 24 24 TRP H H 24 7.379 8.206 -0.827 1
1 183 . 13 1 1 A 24 24 TRP CA C 24 55.014 56.335 -1.321 1
1 184 . 13 1 1 A 24 24 TRP HA H 24 5.262 5.354 -0.092 1
1 185 . 13 1 1 A 24 24 TRP CB C 24 32.074 32.136 -0.062 1
1 200 . 13 1 1 A 24 24 TRP C C 24 176.715 176.495 0.220 1
1 201 . 13 1 1 A 25 25 LYS N N 25 128.489 124.887 3.602 1
1 202 . 13 1 1 A 25 25 LYS H H 25 8.898 8.999 -0.101 1
1 203 . 13 1 1 A 25 25 LYS CA C 25 59.794 59.480 0.314 1
1 204 . 13 1 1 A 25 25 LYS HA H 25 3.170 3.369 -0.199 1
1 205 . 13 1 1 A 25 25 LYS CB C 25 31.754 32.229 -0.475 1
1 217 . 13 1 1 A 25 25 LYS C C 25 178.478 178.202 0.276 1
1 218 . 13 1 1 A 26 26 SER CA C 26 60.740 61.607 -0.867 1
1 219 . 13 1 1 A 26 26 SER HA H 26 4.015 4.207 -0.192 1
1 220 . 13 1 1 A 26 26 SER CB C 26 61.524 62.805 -1.281 1
1 223 . 13 1 1 A 26 26 SER C C 26 176.918 176.952 -0.034 1
1 224 . 13 1 1 A 27 27 ARG N N 27 120.638 120.726 -0.088 1
1 225 . 13 1 1 A 27 27 ARG H H 27 6.893 8.118 -1.225 1
1 226 . 13 1 1 A 27 27 ARG CA C 27 57.881 59.189 -1.308 1
1 227 . 13 1 1 A 27 27 ARG HA H 27 4.093 4.148 -0.055 1
1 228 . 13 1 1 A 27 27 ARG CB C 27 29.682 30.067 -0.385 1
1 237 . 13 1 1 A 27 27 ARG C C 27 178.625 179.014 -0.389 1
1 238 . 13 1 1 A 28 28 LEU N N 28 122.539 121.176 1.363 1
1 239 . 13 1 1 A 28 28 LEU H H 28 7.143 8.157 -1.014 1
1 240 . 13 1 1 A 28 28 LEU CA C 28 57.892 57.724 0.168 1
1 241 . 13 1 1 A 28 28 LEU HA H 28 3.096 3.392 -0.296 1
1 242 . 13 1 1 A 28 28 LEU CB C 28 40.043 41.303 -1.260 1
1 255 . 13 1 1 A 28 28 LEU C C 28 177.418 178.647 -1.229 1
1 256 . 13 1 1 A 29 29 ARG N N 29 117.943 118.234 -0.291 1
1 257 . 13 1 1 A 29 29 ARG H H 29 8.015 8.177 -0.162 1
1 258 . 13 1 1 A 29 29 ARG CA C 29 59.184 59.473 -0.289 1
1 259 . 13 1 1 A 29 29 ARG HA H 29 4.125 3.862 0.263 1
1 260 . 13 1 1 A 29 29 ARG CB C 29 29.612 30.022 -0.410 1
1 269 . 13 1 1 A 29 29 ARG C C 29 179.325 178.951 0.374 1
1 270 . 13 1 1 A 30 30 ILE N N 30 118.338 120.454 -2.116 1
1 271 . 13 1 1 A 30 30 ILE H H 30 7.320 8.087 -0.767 1
1 272 . 13 1 1 A 30 30 ILE CA C 30 64.473 65.527 -1.054 1
1 273 . 13 1 1 A 30 30 ILE HA H 30 3.688 3.650 0.038 1
1 274 . 13 1 1 A 30 30 ILE CB C 30 38.505 38.086 0.419 1
1 287 . 13 1 1 A 30 30 ILE C C 30 178.655 178.248 0.407 1
1 288 . 13 1 1 A 31 31 HIS N N 31 120.313 119.373 0.940 1
1 289 . 13 1 1 A 31 31 HIS H H 31 7.695 8.210 -0.515 1
1 290 . 13 1 1 A 31 31 HIS CA C 31 59.398 60.248 -0.850 1
1 291 . 13 1 1 A 31 31 HIS HA H 31 4.270 4.146 0.124 1
1 292 . 13 1 1 A 31 31 HIS CB C 31 28.465 29.651 -1.186 1
1 299 . 13 1 1 A 31 31 HIS C C 31 177.067 176.541 0.526 1
1 300 . 13 1 1 A 32 32 GLN N N 32 116.561 117.303 -0.742 1
1 301 . 13 1 1 A 32 32 GLN H H 32 8.559 8.269 0.290 1
1 302 . 13 1 1 A 32 32 GLN CA C 32 59.534 59.270 0.264 1
1 303 . 13 1 1 A 32 32 GLN HA H 32 3.729 3.652 0.077 1
1 304 . 13 1 1 A 32 32 GLN CB C 32 28.512 28.313 0.199 1
1 313 . 13 1 1 A 32 32 GLN C C 32 177.525 178.368 -0.843 1
1 314 . 13 1 1 A 33 33 LYS N N 33 118.421 119.199 -0.778 1
1 315 . 13 1 1 A 33 33 LYS H H 33 7.242 7.740 -0.498 1
1 316 . 13 1 1 A 33 33 LYS CA C 33 58.469 59.298 -0.829 1
1 317 . 13 1 1 A 33 33 LYS HA H 33 4.133 3.995 0.138 1
1 318 . 13 1 1 A 33 33 LYS CB C 33 32.009 32.294 -0.285 1
1 330 . 13 1 1 A 33 33 LYS C C 33 178.287 179.262 -0.975 1
1 331 . 13 1 1 A 34 34 CYS N N 34 115.499 118.979 -3.480 1
1 332 . 13 1 1 A 34 34 CYS H H 34 7.930 7.834 0.096 1
1 333 . 13 1 1 A 34 34 CYS CA C 34 60.410 62.886 -2.476 1
1 334 . 13 1 1 A 34 34 CYS HA H 34 4.349 3.955 0.394 1
1 335 . 13 1 1 A 34 34 CYS CB C 34 26.603 26.224 0.379 1
1 338 . 13 1 1 A 34 34 CYS C C 34 175.397 177.296 -1.899 1
1 339 . 13 1 1 A 35 35 HIS N N 35 119.063 119.527 -0.464 1
1 340 . 13 1 1 A 35 35 HIS H H 35 7.391 7.816 -0.425 1
1 341 . 13 1 1 A 35 35 HIS CA C 35 55.026 58.715 -3.689 1
1 342 . 13 1 1 A 35 35 HIS HA H 35 4.926 4.324 0.602 1
1 343 . 13 1 1 A 35 35 HIS CB C 35 28.797 29.913 -1.116 1
1 350 . 13 1 1 A 35 35 HIS C C 35 175.409 176.651 -1.242 1
1 351 . 13 1 1 A 36 36 THR N N 36 112.789 111.504 1.285 1
1 352 . 13 1 1 A 36 36 THR H H 36 7.775 8.102 -0.327 1
1 353 . 13 1 1 A 36 36 THR CA C 36 62.596 63.770 -1.174 1
1 354 . 13 1 1 A 36 36 THR HA H 36 4.358 3.970 0.388 1
1 355 . 13 1 1 A 36 36 THR CB C 36 69.874 68.578 1.296 1
1 361 . 13 1 1 A 36 36 THR C C 36 175.265 175.232 0.033 1
1 362 . 13 1 1 A 37 37 GLY N N 37 110.969 115.504 -4.535 1
1 363 . 13 1 1 A 37 37 GLY H H 37 8.409 8.455 -0.046 1
1 364 . 13 1 1 A 37 37 GLY CA C 37 45.427 45.478 -0.051 1
1 365 . 13 1 1 A 37 37 GLY HA2 H 37 4.036 4.004 0.032 1
1 366 . 13 1 1 A 37 37 GLY HA3 H 37 3.983 4.007 -0.024 1
1 367 . 13 1 1 A 37 37 GLY C C 37 173.997 173.493 0.504 1
1 368 . 13 1 1 A 38 38 GLU N N 38 120.635 119.828 0.807 1
1 369 . 13 1 1 A 38 38 GLU H H 38 8.171 7.339 0.832 1
1 370 . 13 1 1 A 38 38 GLU CA C 38 56.637 54.237 2.400 1
1 371 . 13 1 1 A 38 38 GLU HA H 38 4.253 4.807 -0.554 1
1 372 . 13 1 1 A 38 38 GLU CB C 38 30.415 33.854 -3.439 1
1 378 . 13 1 1 A 38 38 GLU C C 38 176.470 175.248 1.222 1
1 379 . 13 1 1 A 39 39 ARG N N 39 121.782 121.464 0.318 1
1 380 . 13 1 1 A 39 39 ARG H H 39 8.351 8.205 0.146 1
1 381 . 13 1 1 A 39 39 ARG CA C 39 56.036 55.985 0.051 1
1 382 . 13 1 1 A 39 39 ARG HA H 39 4.315 4.234 0.081 1
1 383 . 13 1 1 A 39 39 ARG CB C 39 30.779 30.419 0.360 1
1 392 . 13 1 1 A 39 39 ARG C C 39 176.053 175.985 0.068 1
1 397 . 13 1 1 A 42 42 GLY CA C 42 44.643 46.708 -2.065 1
1 398 . 13 1 1 A 42 42 GLY HA2 H 42 4.150 4.438 -0.288 1
1 399 . 13 1 1 A 42 42 GLY HA3 H 42 4.150 4.451 -0.301 1
1 400 . 13 1 1 A 43 43 PRO CA C 43 63.307 62.448 0.859 1
1 401 . 13 1 1 A 43 43 PRO HA H 43 4.501 4.623 -0.122 1
1 402 . 13 1 1 A 43 43 PRO CB C 43 32.245 29.974 2.271 1
1 411 . 13 1 1 A 43 43 PRO C C 43 174.518 176.044 -1.526 1
1 412 . 13 1 1 A 44 44 SER N N 44 116.564 119.748 -3.184 1
1 413 . 13 1 1 A 44 44 SER H H 44 8.531 8.476 0.055 1
1 414 . 13 1 1 A 44 44 SER CA C 44 58.000 57.186 0.814 1
1 1 . 14 1 1 A 7 7 GLY CA C 7 45.443 45.666 -0.223 1
1 2 . 14 1 1 A 7 7 GLY HA2 H 7 4.001 4.195 -0.194 1
1 3 . 14 1 1 A 7 7 GLY HA3 H 7 4.001 4.198 -0.197 1
1 4 . 14 1 1 A 7 7 GLY C C 7 174.517 173.689 0.828 1
1 5 . 14 1 1 A 8 8 THR N N 8 112.810 113.212 -0.402 1
1 6 . 14 1 1 A 8 8 THR H H 8 8.114 7.901 0.213 1
1 7 . 14 1 1 A 8 8 THR CA C 8 61.946 61.920 0.026 1
1 8 . 14 1 1 A 8 8 THR HA H 8 4.359 4.331 0.028 1
1 9 . 14 1 1 A 8 8 THR CB C 8 69.788 70.335 -0.547 1
1 15 . 14 1 1 A 8 8 THR C C 8 175.261 174.347 0.914 1
1 16 . 14 1 1 A 9 9 GLY CA C 9 45.194 45.547 -0.353 1
1 17 . 14 1 1 A 9 9 GLY HA2 H 9 3.934 4.158 -0.224 1
1 18 . 14 1 1 A 9 9 GLY HA3 H 9 3.934 4.160 -0.226 1
1 19 . 14 1 1 A 10 10 GLU N N 10 120.417 122.439 -2.022 1
1 20 . 14 1 1 A 10 10 GLU H H 10 8.163 8.597 -0.434 1
1 21 . 14 1 1 A 10 10 GLU CA C 10 56.630 57.741 -1.111 1
1 22 . 14 1 1 A 10 10 GLU HA H 10 4.157 4.209 -0.052 1
1 23 . 14 1 1 A 10 10 GLU CB C 10 30.424 30.016 0.408 1
1 28 . 14 1 1 A 10 10 GLU C C 10 176.283 176.516 -0.233 1
1 29 . 14 1 1 A 11 11 LYS N N 11 122.818 121.811 1.007 1
1 30 . 14 1 1 A 11 11 LYS H H 11 8.319 8.585 -0.266 1
1 31 . 14 1 1 A 11 11 LYS CA C 11 54.069 53.854 0.215 1
1 32 . 14 1 1 A 11 11 LYS HA H 11 4.416 4.800 -0.384 1
1 33 . 14 1 1 A 11 11 LYS CB C 11 32.659 35.400 -2.741 1
1 45 . 14 1 1 A 11 11 LYS C C 11 174.368 175.811 -1.443 1
1 46 . 14 1 1 A 12 12 PRO CA C 12 63.821 64.035 -0.214 1
1 47 . 14 1 1 A 12 12 PRO HA H 12 4.190 4.268 -0.078 1
1 48 . 14 1 1 A 12 12 PRO CB C 12 32.246 31.481 0.765 1
1 57 . 14 1 1 A 12 12 PRO C C 12 176.504 175.472 1.032 1
1 58 . 14 1 1 A 13 13 TYR N N 13 117.532 118.423 -0.891 1
1 59 . 14 1 1 A 13 13 TYR H H 13 7.808 7.381 0.427 1
1 60 . 14 1 1 A 13 13 TYR CA C 13 57.460 56.344 1.116 1
1 61 . 14 1 1 A 13 13 TYR HA H 13 4.723 5.335 -0.612 1
1 62 . 14 1 1 A 13 13 TYR CB C 13 38.681 41.908 -3.227 1
1 73 . 14 1 1 A 13 13 TYR C C 13 174.392 174.784 -0.392 1
1 74 . 14 1 1 A 14 14 LYS N N 14 125.155 121.061 4.094 1
1 75 . 14 1 1 A 14 14 LYS H H 14 8.658 8.734 -0.076 1
1 76 . 14 1 1 A 14 14 LYS CA C 14 55.182 56.164 -0.982 1
1 77 . 14 1 1 A 14 14 LYS HA H 14 4.897 5.174 -0.277 1
1 78 . 14 1 1 A 14 14 LYS CB C 14 35.362 35.891 -0.529 1
1 90 . 14 1 1 A 14 14 LYS C C 14 175.434 174.837 0.597 1
1 91 . 14 1 1 A 15 15 CYS N N 15 127.487 125.752 1.735 1
1 92 . 14 1 1 A 15 15 CYS H H 15 9.257 8.965 0.292 1
1 93 . 14 1 1 A 15 15 CYS CA C 15 59.645 60.133 -0.488 1
1 94 . 14 1 1 A 15 15 CYS HA H 15 4.552 4.337 0.215 1
1 95 . 14 1 1 A 15 15 CYS CB C 15 29.714 28.945 0.769 1
1 98 . 14 1 1 A 15 15 CYS C C 15 177.361 175.893 1.468 1
1 99 . 14 1 1 A 16 16 SER CA C 16 61.056 61.317 -0.261 1
1 100 . 14 1 1 A 16 16 SER HA H 16 4.265 4.247 0.018 1
1 101 . 14 1 1 A 16 16 SER CB C 16 63.129 63.041 0.088 1
1 104 . 14 1 1 A 16 16 SER C C 16 174.425 176.412 -1.987 1
1 105 . 14 1 1 A 17 17 ASP N N 17 122.836 121.642 1.194 1
1 106 . 14 1 1 A 17 17 ASP H H 17 8.675 8.245 0.430 1
1 107 . 14 1 1 A 17 17 ASP CA C 17 56.882 57.247 -0.365 1
1 108 . 14 1 1 A 17 17 ASP HA H 17 4.573 4.279 0.294 1
1 109 . 14 1 1 A 17 17 ASP CB C 17 41.393 39.961 1.432 1
1 112 . 14 1 1 A 17 17 ASP C C 17 176.693 177.695 -1.002 1
1 113 . 14 1 1 A 18 18 CYS N N 18 114.845 114.267 0.578 1
1 114 . 14 1 1 A 18 18 CYS H H 18 7.871 7.887 -0.016 1
1 115 . 14 1 1 A 18 18 CYS CA C 18 58.669 59.629 -0.960 1
1 116 . 14 1 1 A 18 18 CYS HA H 18 5.149 4.645 0.504 1
1 117 . 14 1 1 A 18 18 CYS CB C 18 32.360 29.867 2.493 1
1 120 . 14 1 1 A 18 18 CYS C C 18 176.087 175.329 0.758 1
1 121 . 14 1 1 A 19 19 GLY N N 19 112.703 110.000 2.703 1
1 122 . 14 1 1 A 19 19 GLY H H 19 8.234 7.831 0.403 1
1 123 . 14 1 1 A 19 19 GLY CA C 19 46.239 45.350 0.889 1
1 124 . 14 1 1 A 19 19 GLY HA2 H 19 3.805 4.089 -0.284 1
1 125 . 14 1 1 A 19 19 GLY HA3 H 19 4.261 4.096 0.165 1
1 126 . 14 1 1 A 19 19 GLY C C 19 173.775 174.170 -0.395 1
1 127 . 14 1 1 A 20 20 LYS N N 20 123.389 119.537 3.852 1
1 128 . 14 1 1 A 20 20 LYS H H 20 8.104 7.905 0.199 1
1 129 . 14 1 1 A 20 20 LYS CA C 20 58.247 54.334 3.913 1
1 130 . 14 1 1 A 20 20 LYS HA H 20 4.062 4.673 -0.611 1
1 131 . 14 1 1 A 20 20 LYS CB C 20 33.784 34.313 -0.529 1
1 143 . 14 1 1 A 20 20 LYS C C 20 174.521 175.899 -1.378 1
1 144 . 14 1 1 A 21 21 SER N N 21 115.758 113.222 2.536 1
1 145 . 14 1 1 A 21 21 SER H H 21 7.892 8.629 -0.737 1
1 146 . 14 1 1 A 21 21 SER CA C 21 57.156 55.989 1.167 1
1 147 . 14 1 1 A 21 21 SER HA H 21 5.346 5.746 -0.400 1
1 148 . 14 1 1 A 21 21 SER CB C 21 65.985 66.012 -0.027 1
1 151 . 14 1 1 A 21 21 SER C C 21 172.978 173.594 -0.616 1
1 152 . 14 1 1 A 22 22 PHE N N 22 117.880 118.768 -0.888 1
1 153 . 14 1 1 A 22 22 PHE H H 22 8.858 8.521 0.337 1
1 154 . 14 1 1 A 22 22 PHE CA C 22 57.670 56.821 0.849 1
1 155 . 14 1 1 A 22 22 PHE HA H 22 4.809 4.962 -0.153 1
1 156 . 14 1 1 A 22 22 PHE CB C 22 43.763 42.776 0.987 1
1 169 . 14 1 1 A 22 22 PHE C C 22 175.046 175.767 -0.721 1
1 170 . 14 1 1 A 23 23 THR N N 23 119.545 115.240 4.305 1
1 171 . 14 1 1 A 23 23 THR H H 23 9.181 8.771 0.410 1
1 172 . 14 1 1 A 23 23 THR CA C 23 65.464 63.447 2.017 1
1 173 . 14 1 1 A 23 23 THR HA H 23 4.093 4.282 -0.189 1
1 174 . 14 1 1 A 23 23 THR CB C 23 69.486 69.039 0.447 1
1 180 . 14 1 1 A 23 23 THR C C 23 173.355 174.908 -1.553 1
1 181 . 14 1 1 A 24 24 TRP N N 24 117.211 122.551 -5.340 1
1 182 . 14 1 1 A 24 24 TRP H H 24 7.379 8.078 -0.699 1
1 183 . 14 1 1 A 24 24 TRP CA C 24 55.014 55.779 -0.765 1
1 184 . 14 1 1 A 24 24 TRP HA H 24 5.262 5.244 0.018 1
1 185 . 14 1 1 A 24 24 TRP CB C 24 32.074 32.014 0.060 1
1 200 . 14 1 1 A 24 24 TRP C C 24 176.715 176.235 0.480 1
1 201 . 14 1 1 A 25 25 LYS N N 25 128.489 126.510 1.979 1
1 202 . 14 1 1 A 25 25 LYS H H 25 8.898 8.474 0.424 1
1 203 . 14 1 1 A 25 25 LYS CA C 25 59.794 59.468 0.326 1
1 204 . 14 1 1 A 25 25 LYS HA H 25 3.170 3.138 0.032 1
1 205 . 14 1 1 A 25 25 LYS CB C 25 31.754 31.907 -0.153 1
1 217 . 14 1 1 A 25 25 LYS C C 25 178.478 178.049 0.429 1
1 218 . 14 1 1 A 26 26 SER CA C 26 60.740 62.055 -1.315 1
1 219 . 14 1 1 A 26 26 SER HA H 26 4.015 4.095 -0.080 1
1 220 . 14 1 1 A 26 26 SER CB C 26 61.524 63.021 -1.497 1
1 223 . 14 1 1 A 26 26 SER C C 26 176.918 176.641 0.277 1
1 224 . 14 1 1 A 27 27 ARG N N 27 120.638 121.969 -1.331 1
1 225 . 14 1 1 A 27 27 ARG H H 27 6.893 8.036 -1.143 1
1 226 . 14 1 1 A 27 27 ARG CA C 27 57.881 59.058 -1.177 1
1 227 . 14 1 1 A 27 27 ARG HA H 27 4.093 4.160 -0.067 1
1 228 . 14 1 1 A 27 27 ARG CB C 27 29.682 30.549 -0.867 1
1 237 . 14 1 1 A 27 27 ARG C C 27 178.625 178.551 0.074 1
1 238 . 14 1 1 A 28 28 LEU N N 28 122.539 121.411 1.128 1
1 239 . 14 1 1 A 28 28 LEU H H 28 7.143 8.282 -1.139 1
1 240 . 14 1 1 A 28 28 LEU CA C 28 57.892 57.736 0.156 1
1 241 . 14 1 1 A 28 28 LEU HA H 28 3.096 3.451 -0.355 1
1 242 . 14 1 1 A 28 28 LEU CB C 28 40.043 41.225 -1.182 1
1 255 . 14 1 1 A 28 28 LEU C C 28 177.418 178.536 -1.118 1
1 256 . 14 1 1 A 29 29 ARG N N 29 117.943 118.336 -0.393 1
1 257 . 14 1 1 A 29 29 ARG H H 29 8.015 7.902 0.113 1
1 258 . 14 1 1 A 29 29 ARG CA C 29 59.184 59.408 -0.224 1
1 259 . 14 1 1 A 29 29 ARG HA H 29 4.125 3.905 0.220 1
1 260 . 14 1 1 A 29 29 ARG CB C 29 29.612 29.980 -0.368 1
1 269 . 14 1 1 A 29 29 ARG C C 29 179.325 178.777 0.548 1
1 270 . 14 1 1 A 30 30 ILE N N 30 118.338 120.520 -2.182 1
1 271 . 14 1 1 A 30 30 ILE H H 30 7.320 8.055 -0.735 1
1 272 . 14 1 1 A 30 30 ILE CA C 30 64.473 65.334 -0.861 1
1 273 . 14 1 1 A 30 30 ILE HA H 30 3.688 3.739 -0.051 1
1 274 . 14 1 1 A 30 30 ILE CB C 30 38.505 37.885 0.620 1
1 287 . 14 1 1 A 30 30 ILE C C 30 178.655 177.897 0.758 1
1 288 . 14 1 1 A 31 31 HIS N N 31 120.313 119.540 0.773 1
1 289 . 14 1 1 A 31 31 HIS H H 31 7.695 8.172 -0.477 1
1 290 . 14 1 1 A 31 31 HIS CA C 31 59.398 60.075 -0.677 1
1 291 . 14 1 1 A 31 31 HIS HA H 31 4.270 4.107 0.163 1
1 292 . 14 1 1 A 31 31 HIS CB C 31 28.465 29.617 -1.152 1
1 299 . 14 1 1 A 31 31 HIS C C 31 177.067 177.570 -0.503 1
1 300 . 14 1 1 A 32 32 GLN N N 32 116.561 119.156 -2.595 1
1 301 . 14 1 1 A 32 32 GLN H H 32 8.559 8.168 0.391 1
1 302 . 14 1 1 A 32 32 GLN CA C 32 59.534 59.357 0.177 1
1 303 . 14 1 1 A 32 32 GLN HA H 32 3.729 4.126 -0.397 1
1 304 . 14 1 1 A 32 32 GLN CB C 32 28.512 28.413 0.099 1
1 313 . 14 1 1 A 32 32 GLN C C 32 177.525 179.231 -1.706 1
1 314 . 14 1 1 A 33 33 LYS N N 33 118.421 119.468 -1.047 1
1 315 . 14 1 1 A 33 33 LYS H H 33 7.242 7.856 -0.614 1
1 316 . 14 1 1 A 33 33 LYS CA C 33 58.469 58.514 -0.045 1
1 317 . 14 1 1 A 33 33 LYS HA H 33 4.133 4.118 0.015 1
1 318 . 14 1 1 A 33 33 LYS CB C 33 32.009 32.208 -0.199 1
1 330 . 14 1 1 A 33 33 LYS C C 33 178.287 177.110 1.177 1
1 331 . 14 1 1 A 34 34 CYS N N 34 115.499 117.111 -1.612 1
1 332 . 14 1 1 A 34 34 CYS H H 34 7.930 7.662 0.268 1
1 333 . 14 1 1 A 34 34 CYS CA C 34 60.410 58.677 1.733 1
1 334 . 14 1 1 A 34 34 CYS HA H 34 4.349 4.504 -0.155 1
1 335 . 14 1 1 A 34 34 CYS CB C 34 26.603 27.977 -1.374 1
1 338 . 14 1 1 A 34 34 CYS C C 34 175.397 175.114 0.283 1
1 339 . 14 1 1 A 35 35 HIS N N 35 119.063 120.735 -1.672 1
1 340 . 14 1 1 A 35 35 HIS H H 35 7.391 7.392 -0.001 1
1 341 . 14 1 1 A 35 35 HIS CA C 35 55.026 54.997 0.029 1
1 342 . 14 1 1 A 35 35 HIS HA H 35 4.926 4.699 0.227 1
1 343 . 14 1 1 A 35 35 HIS CB C 35 28.797 29.327 -0.530 1
1 350 . 14 1 1 A 35 35 HIS C C 35 175.409 174.180 1.229 1
1 351 . 14 1 1 A 36 36 THR N N 36 112.789 110.734 2.055 1
1 352 . 14 1 1 A 36 36 THR H H 36 7.775 8.018 -0.243 1
1 353 . 14 1 1 A 36 36 THR CA C 36 62.596 59.677 2.919 1
1 354 . 14 1 1 A 36 36 THR HA H 36 4.358 4.788 -0.430 1
1 355 . 14 1 1 A 36 36 THR CB C 36 69.874 71.702 -1.828 1
1 361 . 14 1 1 A 36 36 THR C C 36 175.265 173.420 1.845 1
1 362 . 14 1 1 A 37 37 GLY N N 37 110.969 109.459 1.510 1
1 363 . 14 1 1 A 37 37 GLY H H 37 8.409 8.378 0.031 1
1 364 . 14 1 1 A 37 37 GLY CA C 37 45.427 44.104 1.323 1
1 365 . 14 1 1 A 37 37 GLY HA2 H 37 4.036 4.113 -0.077 1
1 366 . 14 1 1 A 37 37 GLY HA3 H 37 3.983 4.118 -0.135 1
1 367 . 14 1 1 A 37 37 GLY C C 37 173.997 172.641 1.356 1
1 368 . 14 1 1 A 38 38 GLU N N 38 120.635 118.662 1.973 1
1 369 . 14 1 1 A 38 38 GLU H H 38 8.171 8.425 -0.254 1
1 370 . 14 1 1 A 38 38 GLU CA C 38 56.637 54.698 1.939 1
1 371 . 14 1 1 A 38 38 GLU HA H 38 4.253 5.008 -0.755 1
1 372 . 14 1 1 A 38 38 GLU CB C 38 30.415 32.271 -1.856 1
1 378 . 14 1 1 A 38 38 GLU C C 38 176.470 176.784 -0.314 1
1 379 . 14 1 1 A 39 39 ARG N N 39 121.782 123.927 -2.145 1
1 380 . 14 1 1 A 39 39 ARG H H 39 8.351 8.820 -0.469 1
1 381 . 14 1 1 A 39 39 ARG CA C 39 56.036 60.001 -3.965 1
1 382 . 14 1 1 A 39 39 ARG HA H 39 4.315 3.880 0.435 1
1 383 . 14 1 1 A 39 39 ARG CB C 39 30.779 30.105 0.674 1
1 392 . 14 1 1 A 39 39 ARG C C 39 176.053 178.286 -2.233 1
1 397 . 14 1 1 A 42 42 GLY CA C 42 44.643 44.722 -0.079 1
1 398 . 14 1 1 A 42 42 GLY HA2 H 42 4.150 4.206 -0.056 1
1 399 . 14 1 1 A 42 42 GLY HA3 H 42 4.150 4.206 -0.056 1
1 400 . 14 1 1 A 43 43 PRO CA C 43 63.307 64.927 -1.620 1
1 401 . 14 1 1 A 43 43 PRO HA H 43 4.501 4.403 0.098 1
1 402 . 14 1 1 A 43 43 PRO CB C 43 32.245 32.013 0.232 1
1 411 . 14 1 1 A 43 43 PRO C C 43 174.518 176.076 -1.558 1
1 412 . 14 1 1 A 44 44 SER N N 44 116.564 108.769 7.795 1
1 413 . 14 1 1 A 44 44 SER H H 44 8.531 7.709 0.822 1
1 414 . 14 1 1 A 44 44 SER CA C 44 58.000 57.062 0.938 1
1 1 . 15 1 1 A 7 7 GLY CA C 7 45.443 45.808 -0.365 1
1 2 . 15 1 1 A 7 7 GLY HA2 H 7 4.001 4.177 -0.176 1
1 3 . 15 1 1 A 7 7 GLY HA3 H 7 4.001 4.178 -0.177 1
1 4 . 15 1 1 A 7 7 GLY C C 7 174.517 173.376 1.141 1
1 5 . 15 1 1 A 8 8 THR N N 8 112.810 115.035 -2.225 1
1 6 . 15 1 1 A 8 8 THR H H 8 8.114 8.003 0.111 1
1 7 . 15 1 1 A 8 8 THR CA C 8 61.946 62.170 -0.224 1
1 8 . 15 1 1 A 8 8 THR HA H 8 4.359 4.476 -0.117 1
1 9 . 15 1 1 A 8 8 THR CB C 8 69.788 69.138 0.650 1
1 15 . 15 1 1 A 8 8 THR C C 8 175.261 174.555 0.706 1
1 16 . 15 1 1 A 9 9 GLY CA C 9 45.194 45.744 -0.550 1
1 17 . 15 1 1 A 9 9 GLY HA2 H 9 3.934 4.173 -0.239 1
1 18 . 15 1 1 A 9 9 GLY HA3 H 9 3.934 4.177 -0.243 1
1 19 . 15 1 1 A 10 10 GLU N N 10 120.417 121.602 -1.185 1
1 20 . 15 1 1 A 10 10 GLU H H 10 8.163 8.577 -0.414 1
1 21 . 15 1 1 A 10 10 GLU CA C 10 56.630 55.793 0.837 1
1 22 . 15 1 1 A 10 10 GLU HA H 10 4.157 4.517 -0.360 1
1 23 . 15 1 1 A 10 10 GLU CB C 10 30.424 28.560 1.864 1
1 28 . 15 1 1 A 10 10 GLU C C 10 176.283 175.212 1.071 1
1 29 . 15 1 1 A 11 11 LYS N N 11 122.818 124.319 -1.501 1
1 30 . 15 1 1 A 11 11 LYS H H 11 8.319 7.624 0.695 1
1 31 . 15 1 1 A 11 11 LYS CA C 11 54.069 52.847 1.222 1
1 32 . 15 1 1 A 11 11 LYS HA H 11 4.416 4.865 -0.449 1
1 33 . 15 1 1 A 11 11 LYS CB C 11 32.659 34.699 -2.040 1
1 45 . 15 1 1 A 11 11 LYS C C 11 174.368 176.154 -1.786 1
1 46 . 15 1 1 A 12 12 PRO CA C 12 63.821 63.758 0.063 1
1 47 . 15 1 1 A 12 12 PRO HA H 12 4.190 4.309 -0.119 1
1 48 . 15 1 1 A 12 12 PRO CB C 12 32.246 31.129 1.117 1
1 57 . 15 1 1 A 12 12 PRO C C 12 176.504 175.513 0.991 1
1 58 . 15 1 1 A 13 13 TYR N N 13 117.532 119.059 -1.527 1
1 59 . 15 1 1 A 13 13 TYR H H 13 7.808 7.531 0.277 1
1 60 . 15 1 1 A 13 13 TYR CA C 13 57.460 56.444 1.016 1
1 61 . 15 1 1 A 13 13 TYR HA H 13 4.723 5.373 -0.650 1
1 62 . 15 1 1 A 13 13 TYR CB C 13 38.681 43.318 -4.637 1
1 73 . 15 1 1 A 13 13 TYR C C 13 174.392 174.580 -0.188 1
1 74 . 15 1 1 A 14 14 LYS N N 14 125.155 123.120 2.035 1
1 75 . 15 1 1 A 14 14 LYS H H 14 8.658 8.826 -0.168 1
1 76 . 15 1 1 A 14 14 LYS CA C 14 55.182 55.765 -0.583 1
1 77 . 15 1 1 A 14 14 LYS HA H 14 4.897 5.117 -0.220 1
1 78 . 15 1 1 A 14 14 LYS CB C 14 35.362 36.388 -1.026 1
1 90 . 15 1 1 A 14 14 LYS C C 14 175.434 174.548 0.886 1
1 91 . 15 1 1 A 15 15 CYS N N 15 127.487 125.064 2.423 1
1 92 . 15 1 1 A 15 15 CYS H H 15 9.257 9.544 -0.287 1
1 93 . 15 1 1 A 15 15 CYS CA C 15 59.645 59.771 -0.126 1
1 94 . 15 1 1 A 15 15 CYS HA H 15 4.552 4.604 -0.052 1
1 95 . 15 1 1 A 15 15 CYS CB C 15 29.714 28.288 1.426 1
1 98 . 15 1 1 A 15 15 CYS C C 15 177.361 175.770 1.591 1
1 99 . 15 1 1 A 16 16 SER CA C 16 61.056 58.020 3.036 1
1 100 . 15 1 1 A 16 16 SER HA H 16 4.265 4.799 -0.534 1
1 101 . 15 1 1 A 16 16 SER CB C 16 63.129 63.373 -0.244 1
1 104 . 15 1 1 A 16 16 SER C C 16 174.425 174.367 0.058 1
1 105 . 15 1 1 A 17 17 ASP N N 17 122.836 120.828 2.008 1
1 106 . 15 1 1 A 17 17 ASP H H 17 8.675 8.190 0.485 1
1 107 . 15 1 1 A 17 17 ASP CA C 17 56.882 55.420 1.462 1
1 108 . 15 1 1 A 17 17 ASP HA H 17 4.573 4.787 -0.214 1
1 109 . 15 1 1 A 17 17 ASP CB C 17 41.393 43.299 -1.906 1
1 112 . 15 1 1 A 17 17 ASP C C 17 176.693 177.371 -0.678 1
1 113 . 15 1 1 A 18 18 CYS N N 18 114.845 114.117 0.728 1
1 114 . 15 1 1 A 18 18 CYS H H 18 7.871 8.190 -0.319 1
1 115 . 15 1 1 A 18 18 CYS CA C 18 58.669 59.642 -0.973 1
1 116 . 15 1 1 A 18 18 CYS HA H 18 5.149 4.681 0.468 1
1 117 . 15 1 1 A 18 18 CYS CB C 18 32.360 30.027 2.333 1
1 120 . 15 1 1 A 18 18 CYS C C 18 176.087 175.458 0.629 1
1 121 . 15 1 1 A 19 19 GLY N N 19 112.703 110.097 2.606 1
1 122 . 15 1 1 A 19 19 GLY H H 19 8.234 8.354 -0.120 1
1 123 . 15 1 1 A 19 19 GLY CA C 19 46.239 45.784 0.455 1
1 124 . 15 1 1 A 19 19 GLY HA2 H 19 3.805 4.098 -0.293 1
1 125 . 15 1 1 A 19 19 GLY HA3 H 19 4.261 4.116 0.145 1
1 126 . 15 1 1 A 19 19 GLY C C 19 173.775 174.303 -0.528 1
1 127 . 15 1 1 A 20 20 LYS N N 20 123.389 119.815 3.574 1
1 128 . 15 1 1 A 20 20 LYS H H 20 8.104 7.962 0.142 1
1 129 . 15 1 1 A 20 20 LYS CA C 20 58.247 54.340 3.907 1
1 130 . 15 1 1 A 20 20 LYS HA H 20 4.062 4.687 -0.625 1
1 131 . 15 1 1 A 20 20 LYS CB C 20 33.784 35.047 -1.263 1
1 143 . 15 1 1 A 20 20 LYS C C 20 174.521 175.329 -0.808 1
1 144 . 15 1 1 A 21 21 SER N N 21 115.758 119.390 -3.632 1
1 145 . 15 1 1 A 21 21 SER H H 21 7.892 8.598 -0.706 1
1 146 . 15 1 1 A 21 21 SER CA C 21 57.156 57.568 -0.412 1
1 147 . 15 1 1 A 21 21 SER HA H 21 5.346 5.385 -0.039 1
1 148 . 15 1 1 A 21 21 SER CB C 21 65.985 64.448 1.537 1
1 151 . 15 1 1 A 21 21 SER C C 21 172.978 173.401 -0.423 1
1 152 . 15 1 1 A 22 22 PHE N N 22 117.880 123.919 -6.039 1
1 153 . 15 1 1 A 22 22 PHE H H 22 8.858 8.890 -0.032 1
1 154 . 15 1 1 A 22 22 PHE CA C 22 57.670 56.779 0.891 1
1 155 . 15 1 1 A 22 22 PHE HA H 22 4.809 4.998 -0.189 1
1 156 . 15 1 1 A 22 22 PHE CB C 22 43.763 42.754 1.009 1
1 169 . 15 1 1 A 22 22 PHE C C 22 175.046 175.937 -0.891 1
1 170 . 15 1 1 A 23 23 THR N N 23 119.545 115.053 4.492 1
1 171 . 15 1 1 A 23 23 THR H H 23 9.181 8.701 0.480 1
1 172 . 15 1 1 A 23 23 THR CA C 23 65.464 64.188 1.276 1
1 173 . 15 1 1 A 23 23 THR HA H 23 4.093 4.605 -0.512 1
1 174 . 15 1 1 A 23 23 THR CB C 23 69.486 69.776 -0.290 1
1 180 . 15 1 1 A 23 23 THR C C 23 173.355 174.677 -1.322 1
1 181 . 15 1 1 A 24 24 TRP N N 24 117.211 119.591 -2.380 1
1 182 . 15 1 1 A 24 24 TRP H H 24 7.379 8.035 -0.656 1
1 183 . 15 1 1 A 24 24 TRP CA C 24 55.014 56.246 -1.232 1
1 184 . 15 1 1 A 24 24 TRP HA H 24 5.262 4.906 0.356 1
1 185 . 15 1 1 A 24 24 TRP CB C 24 32.074 31.455 0.619 1
1 200 . 15 1 1 A 24 24 TRP C C 24 176.715 176.079 0.636 1
1 201 . 15 1 1 A 25 25 LYS N N 25 128.489 123.929 4.560 1
1 202 . 15 1 1 A 25 25 LYS H H 25 8.898 8.487 0.411 1
1 203 . 15 1 1 A 25 25 LYS CA C 25 59.794 59.235 0.559 1
1 204 . 15 1 1 A 25 25 LYS HA H 25 3.170 2.965 0.205 1
1 205 . 15 1 1 A 25 25 LYS CB C 25 31.754 32.100 -0.346 1
1 217 . 15 1 1 A 25 25 LYS C C 25 178.478 178.093 0.385 1
1 218 . 15 1 1 A 26 26 SER CA C 26 60.740 61.830 -1.090 1
1 219 . 15 1 1 A 26 26 SER HA H 26 4.015 4.046 -0.031 1
1 220 . 15 1 1 A 26 26 SER CB C 26 61.524 62.781 -1.257 1
1 223 . 15 1 1 A 26 26 SER C C 26 176.918 176.590 0.328 1
1 224 . 15 1 1 A 27 27 ARG N N 27 120.638 121.715 -1.077 1
1 225 . 15 1 1 A 27 27 ARG H H 27 6.893 7.926 -1.033 1
1 226 . 15 1 1 A 27 27 ARG CA C 27 57.881 59.149 -1.268 1
1 227 . 15 1 1 A 27 27 ARG HA H 27 4.093 3.877 0.216 1
1 228 . 15 1 1 A 27 27 ARG CB C 27 29.682 29.920 -0.238 1
1 237 . 15 1 1 A 27 27 ARG C C 27 178.625 178.460 0.165 1
1 238 . 15 1 1 A 28 28 LEU N N 28 122.539 121.294 1.245 1
1 239 . 15 1 1 A 28 28 LEU H H 28 7.143 7.507 -0.364 1
1 240 . 15 1 1 A 28 28 LEU CA C 28 57.892 57.581 0.311 1
1 241 . 15 1 1 A 28 28 LEU HA H 28 3.096 3.153 -0.057 1
1 242 . 15 1 1 A 28 28 LEU CB C 28 40.043 41.252 -1.209 1
1 255 . 15 1 1 A 28 28 LEU C C 28 177.418 178.400 -0.982 1
1 256 . 15 1 1 A 29 29 ARG N N 29 117.943 118.154 -0.211 1
1 257 . 15 1 1 A 29 29 ARG H H 29 8.015 7.869 0.146 1
1 258 . 15 1 1 A 29 29 ARG CA C 29 59.184 59.472 -0.288 1
1 259 . 15 1 1 A 29 29 ARG HA H 29 4.125 3.922 0.203 1
1 260 . 15 1 1 A 29 29 ARG CB C 29 29.612 29.984 -0.372 1
1 269 . 15 1 1 A 29 29 ARG C C 29 179.325 179.148 0.177 1
1 270 . 15 1 1 A 30 30 ILE N N 30 118.338 119.905 -1.567 1
1 271 . 15 1 1 A 30 30 ILE H H 30 7.320 7.896 -0.576 1
1 272 . 15 1 1 A 30 30 ILE CA C 30 64.473 64.681 -0.208 1
1 273 . 15 1 1 A 30 30 ILE HA H 30 3.688 3.727 -0.039 1
1 274 . 15 1 1 A 30 30 ILE CB C 30 38.505 37.464 1.041 1
1 287 . 15 1 1 A 30 30 ILE C C 30 178.655 178.333 0.322 1
1 288 . 15 1 1 A 31 31 HIS N N 31 120.313 120.207 0.106 1
1 289 . 15 1 1 A 31 31 HIS H H 31 7.695 7.961 -0.266 1
1 290 . 15 1 1 A 31 31 HIS CA C 31 59.398 59.796 -0.398 1
1 291 . 15 1 1 A 31 31 HIS HA H 31 4.270 4.131 0.139 1
1 292 . 15 1 1 A 31 31 HIS CB C 31 28.465 29.879 -1.414 1
1 299 . 15 1 1 A 31 31 HIS C C 31 177.067 177.109 -0.042 1
1 300 . 15 1 1 A 32 32 GLN N N 32 116.561 118.244 -1.683 1
1 301 . 15 1 1 A 32 32 GLN H H 32 8.559 8.336 0.223 1
1 302 . 15 1 1 A 32 32 GLN CA C 32 59.534 59.278 0.256 1
1 303 . 15 1 1 A 32 32 GLN HA H 32 3.729 3.768 -0.039 1
1 304 . 15 1 1 A 32 32 GLN CB C 32 28.512 28.323 0.189 1
1 313 . 15 1 1 A 32 32 GLN C C 32 177.525 178.423 -0.898 1
1 314 . 15 1 1 A 33 33 LYS N N 33 118.421 118.090 0.331 1
1 315 . 15 1 1 A 33 33 LYS H H 33 7.242 7.747 -0.505 1
1 316 . 15 1 1 A 33 33 LYS CA C 33 58.469 59.133 -0.664 1
1 317 . 15 1 1 A 33 33 LYS HA H 33 4.133 4.014 0.119 1
1 318 . 15 1 1 A 33 33 LYS CB C 33 32.009 32.285 -0.276 1
1 330 . 15 1 1 A 33 33 LYS C C 33 178.287 178.513 -0.226 1
1 331 . 15 1 1 A 34 34 CYS N N 34 115.499 118.435 -2.936 1
1 332 . 15 1 1 A 34 34 CYS H H 34 7.930 7.890 0.040 1
1 333 . 15 1 1 A 34 34 CYS CA C 34 60.410 62.300 -1.890 1
1 334 . 15 1 1 A 34 34 CYS HA H 34 4.349 4.145 0.204 1
1 335 . 15 1 1 A 34 34 CYS CB C 34 26.603 27.152 -0.549 1
1 338 . 15 1 1 A 34 34 CYS C C 34 175.397 176.184 -0.787 1
1 339 . 15 1 1 A 35 35 HIS N N 35 119.063 117.518 1.545 1
1 340 . 15 1 1 A 35 35 HIS H H 35 7.391 7.694 -0.303 1
1 341 . 15 1 1 A 35 35 HIS CA C 35 55.026 54.462 0.564 1
1 342 . 15 1 1 A 35 35 HIS HA H 35 4.926 4.628 0.298 1
1 343 . 15 1 1 A 35 35 HIS CB C 35 28.797 27.299 1.498 1
1 350 . 15 1 1 A 35 35 HIS C C 35 175.409 173.923 1.486 1
1 351 . 15 1 1 A 36 36 THR N N 36 112.789 115.121 -2.332 1
1 352 . 15 1 1 A 36 36 THR H H 36 7.775 8.628 -0.853 1
1 353 . 15 1 1 A 36 36 THR CA C 36 62.596 59.628 2.968 1
1 354 . 15 1 1 A 36 36 THR HA H 36 4.358 4.838 -0.480 1
1 355 . 15 1 1 A 36 36 THR CB C 36 69.874 72.439 -2.565 1
1 361 . 15 1 1 A 36 36 THR C C 36 175.265 174.074 1.191 1
1 362 . 15 1 1 A 37 37 GLY N N 37 110.969 115.806 -4.837 1
1 363 . 15 1 1 A 37 37 GLY H H 37 8.409 8.384 0.025 1
1 364 . 15 1 1 A 37 37 GLY CA C 37 45.427 45.191 0.236 1
1 365 . 15 1 1 A 37 37 GLY HA2 H 37 4.036 4.045 -0.009 1
1 366 . 15 1 1 A 37 37 GLY HA3 H 37 3.983 4.046 -0.063 1
1 367 . 15 1 1 A 37 37 GLY C C 37 173.997 173.923 0.074 1
1 368 . 15 1 1 A 38 38 GLU N N 38 120.635 123.336 -2.701 1
1 369 . 15 1 1 A 38 38 GLU H H 38 8.171 8.359 -0.188 1
1 370 . 15 1 1 A 38 38 GLU CA C 38 56.637 56.730 -0.093 1
1 371 . 15 1 1 A 38 38 GLU HA H 38 4.253 4.354 -0.101 1
1 372 . 15 1 1 A 38 38 GLU CB C 38 30.415 30.337 0.078 1
1 378 . 15 1 1 A 38 38 GLU C C 38 176.470 175.513 0.957 1
1 379 . 15 1 1 A 39 39 ARG N N 39 121.782 127.867 -6.085 1
1 380 . 15 1 1 A 39 39 ARG H H 39 8.351 8.653 -0.302 1
1 381 . 15 1 1 A 39 39 ARG CA C 39 56.036 54.876 1.160 1
1 382 . 15 1 1 A 39 39 ARG HA H 39 4.315 4.907 -0.592 1
1 383 . 15 1 1 A 39 39 ARG CB C 39 30.779 32.538 -1.759 1
1 392 . 15 1 1 A 39 39 ARG C C 39 176.053 175.404 0.649 1
1 397 . 15 1 1 A 42 42 GLY CA C 42 44.643 45.556 -0.913 1
1 398 . 15 1 1 A 42 42 GLY HA2 H 42 4.150 4.332 -0.182 1
1 399 . 15 1 1 A 42 42 GLY HA3 H 42 4.150 4.344 -0.194 1
1 400 . 15 1 1 A 43 43 PRO CA C 43 63.307 63.785 -0.478 1
1 401 . 15 1 1 A 43 43 PRO HA H 43 4.501 4.520 -0.019 1
1 402 . 15 1 1 A 43 43 PRO CB C 43 32.245 31.435 0.810 1
1 411 . 15 1 1 A 43 43 PRO C C 43 174.518 176.364 -1.846 1
1 412 . 15 1 1 A 44 44 SER N N 44 116.564 116.748 -0.184 1
1 413 . 15 1 1 A 44 44 SER H H 44 8.531 7.764 0.767 1
1 414 . 15 1 1 A 44 44 SER CA C 44 58.000 57.586 0.414 1
1 1 . 16 1 1 A 7 7 GLY CA C 7 45.443 45.407 0.036 1
1 2 . 16 1 1 A 7 7 GLY HA2 H 7 4.001 4.104 -0.103 1
1 3 . 16 1 1 A 7 7 GLY HA3 H 7 4.001 4.105 -0.104 1
1 4 . 16 1 1 A 7 7 GLY C C 7 174.517 172.584 1.933 1
1 5 . 16 1 1 A 8 8 THR N N 8 112.810 117.008 -4.198 1
1 6 . 16 1 1 A 8 8 THR H H 8 8.114 8.180 -0.066 1
1 7 . 16 1 1 A 8 8 THR CA C 8 61.946 62.776 -0.830 1
1 8 . 16 1 1 A 8 8 THR HA H 8 4.359 4.434 -0.075 1
1 9 . 16 1 1 A 8 8 THR CB C 8 69.788 68.890 0.898 1
1 15 . 16 1 1 A 8 8 THR C C 8 175.261 174.002 1.259 1
1 16 . 16 1 1 A 9 9 GLY CA C 9 45.194 45.566 -0.372 1
1 17 . 16 1 1 A 9 9 GLY HA2 H 9 3.934 4.155 -0.221 1
1 18 . 16 1 1 A 9 9 GLY HA3 H 9 3.934 4.158 -0.224 1
1 19 . 16 1 1 A 10 10 GLU N N 10 120.417 125.070 -4.653 1
1 20 . 16 1 1 A 10 10 GLU H H 10 8.163 9.106 -0.943 1
1 21 . 16 1 1 A 10 10 GLU CA C 10 56.630 55.151 1.479 1
1 22 . 16 1 1 A 10 10 GLU HA H 10 4.157 4.859 -0.702 1
1 23 . 16 1 1 A 10 10 GLU CB C 10 30.424 30.969 -0.545 1
1 28 . 16 1 1 A 10 10 GLU C C 10 176.283 174.826 1.457 1
1 29 . 16 1 1 A 11 11 LYS N N 11 122.818 126.782 -3.964 1
1 30 . 16 1 1 A 11 11 LYS H H 11 8.319 8.570 -0.251 1
1 31 . 16 1 1 A 11 11 LYS CA C 11 54.069 52.823 1.246 1
1 32 . 16 1 1 A 11 11 LYS HA H 11 4.416 4.781 -0.365 1
1 33 . 16 1 1 A 11 11 LYS CB C 11 32.659 33.524 -0.865 1
1 45 . 16 1 1 A 11 11 LYS C C 11 174.368 176.254 -1.886 1
1 46 . 16 1 1 A 12 12 PRO CA C 12 63.821 63.680 0.141 1
1 47 . 16 1 1 A 12 12 PRO HA H 12 4.190 4.294 -0.104 1
1 48 . 16 1 1 A 12 12 PRO CB C 12 32.246 31.207 1.039 1
1 57 . 16 1 1 A 12 12 PRO C C 12 176.504 175.385 1.119 1
1 58 . 16 1 1 A 13 13 TYR N N 13 117.532 118.928 -1.396 1
1 59 . 16 1 1 A 13 13 TYR H H 13 7.808 7.495 0.313 1
1 60 . 16 1 1 A 13 13 TYR CA C 13 57.460 56.401 1.059 1
1 61 . 16 1 1 A 13 13 TYR HA H 13 4.723 5.359 -0.636 1
1 62 . 16 1 1 A 13 13 TYR CB C 13 38.681 43.251 -4.570 1
1 73 . 16 1 1 A 13 13 TYR C C 13 174.392 174.664 -0.272 1
1 74 . 16 1 1 A 14 14 LYS N N 14 125.155 121.678 3.477 1
1 75 . 16 1 1 A 14 14 LYS H H 14 8.658 8.768 -0.110 1
1 76 . 16 1 1 A 14 14 LYS CA C 14 55.182 56.329 -1.147 1
1 77 . 16 1 1 A 14 14 LYS HA H 14 4.897 5.287 -0.390 1
1 78 . 16 1 1 A 14 14 LYS CB C 14 35.362 35.781 -0.419 1
1 90 . 16 1 1 A 14 14 LYS C C 14 175.434 174.718 0.716 1
1 91 . 16 1 1 A 15 15 CYS N N 15 127.487 125.663 1.824 1
1 92 . 16 1 1 A 15 15 CYS H H 15 9.257 9.616 -0.359 1
1 93 . 16 1 1 A 15 15 CYS CA C 15 59.645 60.206 -0.561 1
1 94 . 16 1 1 A 15 15 CYS HA H 15 4.552 4.483 0.069 1
1 95 . 16 1 1 A 15 15 CYS CB C 15 29.714 28.537 1.177 1
1 98 . 16 1 1 A 15 15 CYS C C 15 177.361 175.819 1.542 1
1 99 . 16 1 1 A 16 16 SER CA C 16 61.056 60.576 0.480 1
1 100 . 16 1 1 A 16 16 SER HA H 16 4.265 4.397 -0.132 1
1 101 . 16 1 1 A 16 16 SER CB C 16 63.129 63.654 -0.525 1
1 104 . 16 1 1 A 16 16 SER C C 16 174.425 175.918 -1.493 1
1 105 . 16 1 1 A 17 17 ASP N N 17 122.836 121.408 1.428 1
1 106 . 16 1 1 A 17 17 ASP H H 17 8.675 7.780 0.895 1
1 107 . 16 1 1 A 17 17 ASP CA C 17 56.882 57.686 -0.804 1
1 108 . 16 1 1 A 17 17 ASP HA H 17 4.573 4.240 0.333 1
1 109 . 16 1 1 A 17 17 ASP CB C 17 41.393 41.436 -0.043 1
1 112 . 16 1 1 A 17 17 ASP C C 17 176.693 177.510 -0.817 1
1 113 . 16 1 1 A 18 18 CYS N N 18 114.845 114.591 0.254 1
1 114 . 16 1 1 A 18 18 CYS H H 18 7.871 8.001 -0.130 1
1 115 . 16 1 1 A 18 18 CYS CA C 18 58.669 59.734 -1.065 1
1 116 . 16 1 1 A 18 18 CYS HA H 18 5.149 4.641 0.508 1
1 117 . 16 1 1 A 18 18 CYS CB C 18 32.360 29.807 2.553 1
1 120 . 16 1 1 A 18 18 CYS C C 18 176.087 175.245 0.842 1
1 121 . 16 1 1 A 19 19 GLY N N 19 112.703 109.863 2.840 1
1 122 . 16 1 1 A 19 19 GLY H H 19 8.234 8.027 0.207 1
1 123 . 16 1 1 A 19 19 GLY CA C 19 46.239 45.202 1.037 1
1 124 . 16 1 1 A 19 19 GLY HA2 H 19 3.805 4.070 -0.265 1
1 125 . 16 1 1 A 19 19 GLY HA3 H 19 4.261 4.100 0.161 1
1 126 . 16 1 1 A 19 19 GLY C C 19 173.775 174.384 -0.609 1
1 127 . 16 1 1 A 20 20 LYS N N 20 123.389 122.158 1.231 1
1 128 . 16 1 1 A 20 20 LYS H H 20 8.104 7.998 0.106 1
1 129 . 16 1 1 A 20 20 LYS CA C 20 58.247 55.366 2.881 1
1 130 . 16 1 1 A 20 20 LYS HA H 20 4.062 4.437 -0.375 1
1 131 . 16 1 1 A 20 20 LYS CB C 20 33.784 33.519 0.265 1
1 143 . 16 1 1 A 20 20 LYS C C 20 174.521 175.574 -1.053 1
1 144 . 16 1 1 A 21 21 SER N N 21 115.758 123.152 -7.394 1
1 145 . 16 1 1 A 21 21 SER H H 21 7.892 8.349 -0.457 1
1 146 . 16 1 1 A 21 21 SER CA C 21 57.156 57.720 -0.564 1
1 147 . 16 1 1 A 21 21 SER HA H 21 5.346 5.276 0.070 1
1 148 . 16 1 1 A 21 21 SER CB C 21 65.985 64.848 1.137 1
1 151 . 16 1 1 A 21 21 SER C C 21 172.978 172.958 0.020 1
1 152 . 16 1 1 A 22 22 PHE N N 22 117.880 122.463 -4.583 1
1 153 . 16 1 1 A 22 22 PHE H H 22 8.858 8.589 0.269 1
1 154 . 16 1 1 A 22 22 PHE CA C 22 57.670 56.993 0.677 1
1 155 . 16 1 1 A 22 22 PHE HA H 22 4.809 4.882 -0.073 1
1 156 . 16 1 1 A 22 22 PHE CB C 22 43.763 43.582 0.181 1
1 169 . 16 1 1 A 22 22 PHE C C 22 175.046 175.743 -0.697 1
1 170 . 16 1 1 A 23 23 THR N N 23 119.545 115.406 4.139 1
1 171 . 16 1 1 A 23 23 THR H H 23 9.181 8.810 0.371 1
1 172 . 16 1 1 A 23 23 THR CA C 23 65.464 64.046 1.418 1
1 173 . 16 1 1 A 23 23 THR HA H 23 4.093 4.592 -0.499 1
1 174 . 16 1 1 A 23 23 THR CB C 23 69.486 69.790 -0.304 1
1 180 . 16 1 1 A 23 23 THR C C 23 173.355 174.631 -1.276 1
1 181 . 16 1 1 A 24 24 TRP N N 24 117.211 119.627 -2.416 1
1 182 . 16 1 1 A 24 24 TRP H H 24 7.379 8.071 -0.692 1
1 183 . 16 1 1 A 24 24 TRP CA C 24 55.014 56.123 -1.109 1
1 184 . 16 1 1 A 24 24 TRP HA H 24 5.262 4.859 0.403 1
1 185 . 16 1 1 A 24 24 TRP CB C 24 32.074 31.663 0.411 1
1 200 . 16 1 1 A 24 24 TRP C C 24 176.715 176.769 -0.054 1
1 201 . 16 1 1 A 25 25 LYS N N 25 128.489 123.757 4.732 1
1 202 . 16 1 1 A 25 25 LYS H H 25 8.898 8.434 0.464 1
1 203 . 16 1 1 A 25 25 LYS CA C 25 59.794 58.546 1.248 1
1 204 . 16 1 1 A 25 25 LYS HA H 25 3.170 3.148 0.022 1
1 205 . 16 1 1 A 25 25 LYS CB C 25 31.754 32.047 -0.293 1
1 217 . 16 1 1 A 25 25 LYS C C 25 178.478 178.130 0.348 1
1 218 . 16 1 1 A 26 26 SER CA C 26 60.740 61.684 -0.944 1
1 219 . 16 1 1 A 26 26 SER HA H 26 4.015 4.037 -0.022 1
1 220 . 16 1 1 A 26 26 SER CB C 26 61.524 62.969 -1.445 1
1 223 . 16 1 1 A 26 26 SER C C 26 176.918 177.406 -0.488 1
1 224 . 16 1 1 A 27 27 ARG N N 27 120.638 121.018 -0.380 1
1 225 . 16 1 1 A 27 27 ARG H H 27 6.893 8.014 -1.121 1
1 226 . 16 1 1 A 27 27 ARG CA C 27 57.881 59.274 -1.393 1
1 227 . 16 1 1 A 27 27 ARG HA H 27 4.093 3.953 0.140 1
1 228 . 16 1 1 A 27 27 ARG CB C 27 29.682 30.026 -0.344 1
1 237 . 16 1 1 A 27 27 ARG C C 27 178.625 178.592 0.033 1
1 238 . 16 1 1 A 28 28 LEU N N 28 122.539 121.380 1.159 1
1 239 . 16 1 1 A 28 28 LEU H H 28 7.143 7.639 -0.496 1
1 240 . 16 1 1 A 28 28 LEU CA C 28 57.892 57.444 0.448 1
1 241 . 16 1 1 A 28 28 LEU HA H 28 3.096 2.985 0.111 1
1 242 . 16 1 1 A 28 28 LEU CB C 28 40.043 41.191 -1.148 1
1 255 . 16 1 1 A 28 28 LEU C C 28 177.418 178.434 -1.016 1
1 256 . 16 1 1 A 29 29 ARG N N 29 117.943 118.264 -0.321 1
1 257 . 16 1 1 A 29 29 ARG H H 29 8.015 7.909 0.106 1
1 258 . 16 1 1 A 29 29 ARG CA C 29 59.184 59.322 -0.138 1
1 259 . 16 1 1 A 29 29 ARG HA H 29 4.125 3.905 0.220 1
1 260 . 16 1 1 A 29 29 ARG CB C 29 29.612 30.007 -0.395 1
1 269 . 16 1 1 A 29 29 ARG C C 29 179.325 178.894 0.431 1
1 270 . 16 1 1 A 30 30 ILE N N 30 118.338 120.496 -2.158 1
1 271 . 16 1 1 A 30 30 ILE H H 30 7.320 7.730 -0.410 1
1 272 . 16 1 1 A 30 30 ILE CA C 30 64.473 64.973 -0.500 1
1 273 . 16 1 1 A 30 30 ILE HA H 30 3.688 3.804 -0.116 1
1 274 . 16 1 1 A 30 30 ILE CB C 30 38.505 37.724 0.781 1
1 287 . 16 1 1 A 30 30 ILE C C 30 178.655 178.337 0.318 1
1 288 . 16 1 1 A 31 31 HIS N N 31 120.313 120.058 0.255 1
1 289 . 16 1 1 A 31 31 HIS H H 31 7.695 7.912 -0.217 1
1 290 . 16 1 1 A 31 31 HIS CA C 31 59.398 59.901 -0.503 1
1 291 . 16 1 1 A 31 31 HIS HA H 31 4.270 4.231 0.039 1
1 292 . 16 1 1 A 31 31 HIS CB C 31 28.465 29.980 -1.515 1
1 299 . 16 1 1 A 31 31 HIS C C 31 177.067 177.292 -0.225 1
1 300 . 16 1 1 A 32 32 GLN N N 32 116.561 118.149 -1.588 1
1 301 . 16 1 1 A 32 32 GLN H H 32 8.559 8.687 -0.128 1
1 302 . 16 1 1 A 32 32 GLN CA C 32 59.534 59.333 0.201 1
1 303 . 16 1 1 A 32 32 GLN HA H 32 3.729 3.873 -0.144 1
1 304 . 16 1 1 A 32 32 GLN CB C 32 28.512 28.201 0.311 1
1 313 . 16 1 1 A 32 32 GLN C C 32 177.525 178.662 -1.137 1
1 314 . 16 1 1 A 33 33 LYS N N 33 118.421 118.228 0.193 1
1 315 . 16 1 1 A 33 33 LYS H H 33 7.242 8.112 -0.870 1
1 316 . 16 1 1 A 33 33 LYS CA C 33 58.469 59.121 -0.652 1
1 317 . 16 1 1 A 33 33 LYS HA H 33 4.133 4.060 0.073 1
1 318 . 16 1 1 A 33 33 LYS CB C 33 32.009 31.922 0.087 1
1 330 . 16 1 1 A 33 33 LYS C C 33 178.287 178.702 -0.415 1
1 331 . 16 1 1 A 34 34 CYS N N 34 115.499 118.913 -3.414 1
1 332 . 16 1 1 A 34 34 CYS H H 34 7.930 7.724 0.206 1
1 333 . 16 1 1 A 34 34 CYS CA C 34 60.410 62.770 -2.360 1
1 334 . 16 1 1 A 34 34 CYS HA H 34 4.349 3.948 0.401 1
1 335 . 16 1 1 A 34 34 CYS CB C 34 26.603 26.707 -0.104 1
1 338 . 16 1 1 A 34 34 CYS C C 34 175.397 175.552 -0.155 1
1 339 . 16 1 1 A 35 35 HIS N N 35 119.063 118.302 0.761 1
1 340 . 16 1 1 A 35 35 HIS H H 35 7.391 7.295 0.096 1
1 341 . 16 1 1 A 35 35 HIS CA C 35 55.026 55.933 -0.907 1
1 342 . 16 1 1 A 35 35 HIS HA H 35 4.926 4.342 0.584 1
1 343 . 16 1 1 A 35 35 HIS CB C 35 28.797 28.736 0.061 1
1 350 . 16 1 1 A 35 35 HIS C C 35 175.409 174.585 0.824 1
1 351 . 16 1 1 A 36 36 THR N N 36 112.789 113.575 -0.786 1
1 352 . 16 1 1 A 36 36 THR H H 36 7.775 8.459 -0.684 1
1 353 . 16 1 1 A 36 36 THR CA C 36 62.596 60.406 2.190 1
1 354 . 16 1 1 A 36 36 THR HA H 36 4.358 4.646 -0.288 1
1 355 . 16 1 1 A 36 36 THR CB C 36 69.874 69.836 0.038 1
1 361 . 16 1 1 A 36 36 THR C C 36 175.265 174.322 0.943 1
1 362 . 16 1 1 A 37 37 GLY N N 37 110.969 112.743 -1.774 1
1 363 . 16 1 1 A 37 37 GLY H H 37 8.409 8.452 -0.043 1
1 364 . 16 1 1 A 37 37 GLY CA C 37 45.427 46.868 -1.441 1
1 365 . 16 1 1 A 37 37 GLY HA2 H 37 4.036 3.928 0.108 1
1 366 . 16 1 1 A 37 37 GLY HA3 H 37 3.983 3.935 0.048 1
1 367 . 16 1 1 A 37 37 GLY C C 37 173.997 173.665 0.332 1
1 368 . 16 1 1 A 38 38 GLU N N 38 120.635 118.423 2.212 1
1 369 . 16 1 1 A 38 38 GLU H H 38 8.171 7.851 0.320 1
1 370 . 16 1 1 A 38 38 GLU CA C 38 56.637 55.106 1.531 1
1 371 . 16 1 1 A 38 38 GLU HA H 38 4.253 4.891 -0.638 1
1 372 . 16 1 1 A 38 38 GLU CB C 38 30.415 33.779 -3.364 1
1 378 . 16 1 1 A 38 38 GLU C C 38 176.470 173.934 2.536 1
1 379 . 16 1 1 A 39 39 ARG N N 39 121.782 125.583 -3.801 1
1 380 . 16 1 1 A 39 39 ARG H H 39 8.351 8.926 -0.575 1
1 381 . 16 1 1 A 39 39 ARG CA C 39 56.036 54.790 1.246 1
1 382 . 16 1 1 A 39 39 ARG HA H 39 4.315 4.875 -0.560 1
1 383 . 16 1 1 A 39 39 ARG CB C 39 30.779 31.022 -0.243 1
1 392 . 16 1 1 A 39 39 ARG C C 39 176.053 174.837 1.216 1
1 397 . 16 1 1 A 42 42 GLY CA C 42 44.643 44.827 -0.184 1
1 398 . 16 1 1 A 42 42 GLY HA2 H 42 4.150 4.035 0.115 1
1 399 . 16 1 1 A 42 42 GLY HA3 H 42 4.150 4.068 0.082 1
1 400 . 16 1 1 A 43 43 PRO CA C 43 63.307 63.807 -0.500 1
1 401 . 16 1 1 A 43 43 PRO HA H 43 4.501 4.478 0.023 1
1 402 . 16 1 1 A 43 43 PRO CB C 43 32.245 32.188 0.057 1
1 411 . 16 1 1 A 43 43 PRO C C 43 174.518 177.918 -3.400 1
1 412 . 16 1 1 A 44 44 SER N N 44 116.564 115.250 1.314 1
1 413 . 16 1 1 A 44 44 SER H H 44 8.531 8.632 -0.101 1
1 414 . 16 1 1 A 44 44 SER CA C 44 58.000 61.817 -3.817 1
1 1 . 17 1 1 A 7 7 GLY CA C 7 45.443 46.772 -1.329 1
1 2 . 17 1 1 A 7 7 GLY HA2 H 7 4.001 3.838 0.163 1
1 3 . 17 1 1 A 7 7 GLY HA3 H 7 4.001 3.838 0.163 1
1 4 . 17 1 1 A 7 7 GLY C C 7 174.517 174.654 -0.137 1
1 5 . 17 1 1 A 8 8 THR N N 8 112.810 117.276 -4.466 1
1 6 . 17 1 1 A 8 8 THR H H 8 8.114 8.697 -0.583 1
1 7 . 17 1 1 A 8 8 THR CA C 8 61.946 62.935 -0.989 1
1 8 . 17 1 1 A 8 8 THR HA H 8 4.359 4.071 0.288 1
1 9 . 17 1 1 A 8 8 THR CB C 8 69.788 66.731 3.057 1
1 15 . 17 1 1 A 8 8 THR C C 8 175.261 173.596 1.665 1
1 16 . 17 1 1 A 9 9 GLY CA C 9 45.194 45.972 -0.778 1
1 17 . 17 1 1 A 9 9 GLY HA2 H 9 3.934 4.047 -0.113 1
1 18 . 17 1 1 A 9 9 GLY HA3 H 9 3.934 4.050 -0.116 1
1 19 . 17 1 1 A 10 10 GLU N N 10 120.417 122.740 -2.323 1
1 20 . 17 1 1 A 10 10 GLU H H 10 8.163 8.824 -0.661 1
1 21 . 17 1 1 A 10 10 GLU CA C 10 56.630 55.627 1.003 1
1 22 . 17 1 1 A 10 10 GLU HA H 10 4.157 4.640 -0.483 1
1 23 . 17 1 1 A 10 10 GLU CB C 10 30.424 29.836 0.588 1
1 28 . 17 1 1 A 10 10 GLU C C 10 176.283 175.836 0.447 1
1 29 . 17 1 1 A 11 11 LYS N N 11 122.818 120.628 2.190 1
1 30 . 17 1 1 A 11 11 LYS H H 11 8.319 7.316 1.003 1
1 31 . 17 1 1 A 11 11 LYS CA C 11 54.069 54.040 0.029 1
1 32 . 17 1 1 A 11 11 LYS HA H 11 4.416 4.410 0.006 1
1 33 . 17 1 1 A 11 11 LYS CB C 11 32.659 31.645 1.014 1
1 45 . 17 1 1 A 11 11 LYS C C 11 174.368 176.330 -1.962 1
1 46 . 17 1 1 A 12 12 PRO CA C 12 63.821 63.812 0.009 1
1 47 . 17 1 1 A 12 12 PRO HA H 12 4.190 4.192 -0.002 1
1 48 . 17 1 1 A 12 12 PRO CB C 12 32.246 31.205 1.041 1
1 57 . 17 1 1 A 12 12 PRO C C 12 176.504 175.294 1.210 1
1 58 . 17 1 1 A 13 13 TYR N N 13 117.532 118.632 -1.100 1
1 59 . 17 1 1 A 13 13 TYR H H 13 7.808 7.442 0.366 1
1 60 . 17 1 1 A 13 13 TYR CA C 13 57.460 56.231 1.229 1
1 61 . 17 1 1 A 13 13 TYR HA H 13 4.723 5.354 -0.631 1
1 62 . 17 1 1 A 13 13 TYR CB C 13 38.681 43.543 -4.862 1
1 73 . 17 1 1 A 13 13 TYR C C 13 174.392 174.303 0.089 1
1 74 . 17 1 1 A 14 14 LYS N N 14 125.155 121.315 3.840 1
1 75 . 17 1 1 A 14 14 LYS H H 14 8.658 8.781 -0.123 1
1 76 . 17 1 1 A 14 14 LYS CA C 14 55.182 55.786 -0.604 1
1 77 . 17 1 1 A 14 14 LYS HA H 14 4.897 5.031 -0.134 1
1 78 . 17 1 1 A 14 14 LYS CB C 14 35.362 36.762 -1.400 1
1 90 . 17 1 1 A 14 14 LYS C C 14 175.434 174.377 1.057 1
1 91 . 17 1 1 A 15 15 CYS N N 15 127.487 124.663 2.824 1
1 92 . 17 1 1 A 15 15 CYS H H 15 9.257 9.448 -0.191 1
1 93 . 17 1 1 A 15 15 CYS CA C 15 59.645 58.773 0.872 1
1 94 . 17 1 1 A 15 15 CYS HA H 15 4.552 4.610 -0.058 1
1 95 . 17 1 1 A 15 15 CYS CB C 15 29.714 28.474 1.240 1
1 98 . 17 1 1 A 15 15 CYS C C 15 177.361 176.050 1.311 1
1 99 . 17 1 1 A 16 16 SER CA C 16 61.056 58.176 2.880 1
1 100 . 17 1 1 A 16 16 SER HA H 16 4.265 4.684 -0.419 1
1 101 . 17 1 1 A 16 16 SER CB C 16 63.129 63.262 -0.133 1
1 104 . 17 1 1 A 16 16 SER C C 16 174.425 174.819 -0.394 1
1 105 . 17 1 1 A 17 17 ASP N N 17 122.836 121.307 1.529 1
1 106 . 17 1 1 A 17 17 ASP H H 17 8.675 8.204 0.471 1
1 107 . 17 1 1 A 17 17 ASP CA C 17 56.882 55.483 1.399 1
1 108 . 17 1 1 A 17 17 ASP HA H 17 4.573 4.731 -0.158 1
1 109 . 17 1 1 A 17 17 ASP CB C 17 41.393 42.771 -1.378 1
1 112 . 17 1 1 A 17 17 ASP C C 17 176.693 177.494 -0.801 1
1 113 . 17 1 1 A 18 18 CYS N N 18 114.845 114.017 0.828 1
1 114 . 17 1 1 A 18 18 CYS H H 18 7.871 8.172 -0.301 1
1 115 . 17 1 1 A 18 18 CYS CA C 18 58.669 59.606 -0.937 1
1 116 . 17 1 1 A 18 18 CYS HA H 18 5.149 4.673 0.476 1
1 117 . 17 1 1 A 18 18 CYS CB C 18 32.360 29.999 2.361 1
1 120 . 17 1 1 A 18 18 CYS C C 18 176.087 175.357 0.730 1
1 121 . 17 1 1 A 19 19 GLY N N 19 112.703 110.060 2.643 1
1 122 . 17 1 1 A 19 19 GLY H H 19 8.234 8.347 -0.113 1
1 123 . 17 1 1 A 19 19 GLY CA C 19 46.239 45.802 0.437 1
1 124 . 17 1 1 A 19 19 GLY HA2 H 19 3.805 4.103 -0.298 1
1 125 . 17 1 1 A 19 19 GLY HA3 H 19 4.261 4.120 0.141 1
1 126 . 17 1 1 A 19 19 GLY C C 19 173.775 174.206 -0.431 1
1 127 . 17 1 1 A 20 20 LYS N N 20 123.389 119.943 3.446 1
1 128 . 17 1 1 A 20 20 LYS H H 20 8.104 7.998 0.106 1
1 129 . 17 1 1 A 20 20 LYS CA C 20 58.247 54.180 4.067 1
1 130 . 17 1 1 A 20 20 LYS HA H 20 4.062 4.779 -0.717 1
1 131 . 17 1 1 A 20 20 LYS CB C 20 33.784 35.194 -1.410 1
1 143 . 17 1 1 A 20 20 LYS C C 20 174.521 175.518 -0.997 1
1 144 . 17 1 1 A 21 21 SER N N 21 115.758 119.434 -3.676 1
1 145 . 17 1 1 A 21 21 SER H H 21 7.892 8.735 -0.843 1
1 146 . 17 1 1 A 21 21 SER CA C 21 57.156 58.106 -0.950 1
1 147 . 17 1 1 A 21 21 SER HA H 21 5.346 5.114 0.232 1
1 148 . 17 1 1 A 21 21 SER CB C 21 65.985 64.281 1.704 1
1 151 . 17 1 1 A 21 21 SER C C 21 172.978 173.453 -0.475 1
1 152 . 17 1 1 A 22 22 PHE N N 22 117.880 124.001 -6.121 1
1 153 . 17 1 1 A 22 22 PHE H H 22 8.858 9.069 -0.211 1
1 154 . 17 1 1 A 22 22 PHE CA C 22 57.670 56.564 1.106 1
1 155 . 17 1 1 A 22 22 PHE HA H 22 4.809 5.106 -0.297 1
1 156 . 17 1 1 A 22 22 PHE CB C 22 43.763 41.897 1.866 1
1 169 . 17 1 1 A 22 22 PHE C C 22 175.046 175.847 -0.801 1
1 170 . 17 1 1 A 23 23 THR N N 23 119.545 117.002 2.543 1
1 171 . 17 1 1 A 23 23 THR H H 23 9.181 8.761 0.420 1
1 172 . 17 1 1 A 23 23 THR CA C 23 65.464 64.630 0.834 1
1 173 . 17 1 1 A 23 23 THR HA H 23 4.093 4.364 -0.271 1
1 174 . 17 1 1 A 23 23 THR CB C 23 69.486 69.218 0.268 1
1 180 . 17 1 1 A 23 23 THR C C 23 173.355 174.893 -1.538 1
1 181 . 17 1 1 A 24 24 TRP N N 24 117.211 119.555 -2.344 1
1 182 . 17 1 1 A 24 24 TRP H H 24 7.379 8.153 -0.774 1
1 183 . 17 1 1 A 24 24 TRP CA C 24 55.014 56.186 -1.172 1
1 184 . 17 1 1 A 24 24 TRP HA H 24 5.262 5.133 0.129 1
1 185 . 17 1 1 A 24 24 TRP CB C 24 32.074 30.449 1.625 1
1 200 . 17 1 1 A 24 24 TRP C C 24 176.715 177.089 -0.374 1
1 201 . 17 1 1 A 25 25 LYS N N 25 128.489 124.533 3.956 1
1 202 . 17 1 1 A 25 25 LYS H H 25 8.898 8.374 0.524 1
1 203 . 17 1 1 A 25 25 LYS CA C 25 59.794 58.619 1.175 1
1 204 . 17 1 1 A 25 25 LYS HA H 25 3.170 3.520 -0.350 1
1 205 . 17 1 1 A 25 25 LYS CB C 25 31.754 31.330 0.424 1
1 217 . 17 1 1 A 25 25 LYS C C 25 178.478 178.152 0.326 1
1 218 . 17 1 1 A 26 26 SER CA C 26 60.740 61.203 -0.463 1
1 219 . 17 1 1 A 26 26 SER HA H 26 4.015 4.087 -0.072 1
1 220 . 17 1 1 A 26 26 SER CB C 26 61.524 63.097 -1.573 1
1 223 . 17 1 1 A 26 26 SER C C 26 176.918 176.603 0.315 1
1 224 . 17 1 1 A 27 27 ARG N N 27 120.638 120.936 -0.298 1
1 225 . 17 1 1 A 27 27 ARG H H 27 6.893 8.192 -1.299 1
1 226 . 17 1 1 A 27 27 ARG CA C 27 57.881 58.744 -0.863 1
1 227 . 17 1 1 A 27 27 ARG HA H 27 4.093 4.223 -0.130 1
1 228 . 17 1 1 A 27 27 ARG CB C 27 29.682 29.767 -0.085 1
1 237 . 17 1 1 A 27 27 ARG C C 27 178.625 178.819 -0.194 1
1 238 . 17 1 1 A 28 28 LEU N N 28 122.539 121.985 0.554 1
1 239 . 17 1 1 A 28 28 LEU H H 28 7.143 8.108 -0.965 1
1 240 . 17 1 1 A 28 28 LEU CA C 28 57.892 57.681 0.211 1
1 241 . 17 1 1 A 28 28 LEU HA H 28 3.096 3.139 -0.043 1
1 242 . 17 1 1 A 28 28 LEU CB C 28 40.043 41.441 -1.398 1
1 255 . 17 1 1 A 28 28 LEU C C 28 177.418 178.210 -0.792 1
1 256 . 17 1 1 A 29 29 ARG N N 29 117.943 117.396 0.547 1
1 257 . 17 1 1 A 29 29 ARG H H 29 8.015 8.018 -0.003 1
1 258 . 17 1 1 A 29 29 ARG CA C 29 59.184 58.571 0.613 1
1 259 . 17 1 1 A 29 29 ARG HA H 29 4.125 4.255 -0.130 1
1 260 . 17 1 1 A 29 29 ARG CB C 29 29.612 29.932 -0.320 1
1 269 . 17 1 1 A 29 29 ARG C C 29 179.325 178.327 0.998 1
1 270 . 17 1 1 A 30 30 ILE N N 30 118.338 120.841 -2.503 1
1 271 . 17 1 1 A 30 30 ILE H H 30 7.320 7.741 -0.421 1
1 272 . 17 1 1 A 30 30 ILE CA C 30 64.473 65.034 -0.561 1
1 273 . 17 1 1 A 30 30 ILE HA H 30 3.688 3.661 0.027 1
1 274 . 17 1 1 A 30 30 ILE CB C 30 38.505 37.739 0.766 1
1 287 . 17 1 1 A 30 30 ILE C C 30 178.655 178.227 0.428 1
1 288 . 17 1 1 A 31 31 HIS N N 31 120.313 119.416 0.897 1
1 289 . 17 1 1 A 31 31 HIS H H 31 7.695 8.081 -0.386 1
1 290 . 17 1 1 A 31 31 HIS CA C 31 59.398 60.174 -0.776 1
1 291 . 17 1 1 A 31 31 HIS HA H 31 4.270 4.081 0.189 1
1 292 . 17 1 1 A 31 31 HIS CB C 31 28.465 29.681 -1.216 1
1 299 . 17 1 1 A 31 31 HIS C C 31 177.067 177.185 -0.118 1
1 300 . 17 1 1 A 32 32 GLN N N 32 116.561 118.247 -1.686 1
1 301 . 17 1 1 A 32 32 GLN H H 32 8.559 8.530 0.029 1
1 302 . 17 1 1 A 32 32 GLN CA C 32 59.534 59.056 0.478 1
1 303 . 17 1 1 A 32 32 GLN HA H 32 3.729 3.873 -0.144 1
1 304 . 17 1 1 A 32 32 GLN CB C 32 28.512 28.344 0.168 1
1 313 . 17 1 1 A 32 32 GLN C C 32 177.525 178.516 -0.991 1
1 314 . 17 1 1 A 33 33 LYS N N 33 118.421 119.774 -1.353 1
1 315 . 17 1 1 A 33 33 LYS H H 33 7.242 7.505 -0.263 1
1 316 . 17 1 1 A 33 33 LYS CA C 33 58.469 59.401 -0.932 1
1 317 . 17 1 1 A 33 33 LYS HA H 33 4.133 3.996 0.137 1
1 318 . 17 1 1 A 33 33 LYS CB C 33 32.009 32.215 -0.206 1
1 330 . 17 1 1 A 33 33 LYS C C 33 178.287 179.312 -1.025 1
1 331 . 17 1 1 A 34 34 CYS N N 34 115.499 119.264 -3.765 1
1 332 . 17 1 1 A 34 34 CYS H H 34 7.930 7.677 0.253 1
1 333 . 17 1 1 A 34 34 CYS CA C 34 60.410 62.737 -2.327 1
1 334 . 17 1 1 A 34 34 CYS HA H 34 4.349 3.968 0.381 1
1 335 . 17 1 1 A 34 34 CYS CB C 34 26.603 26.793 -0.190 1
1 338 . 17 1 1 A 34 34 CYS C C 34 175.397 176.240 -0.843 1
1 339 . 17 1 1 A 35 35 HIS N N 35 119.063 118.705 0.358 1
1 340 . 17 1 1 A 35 35 HIS H H 35 7.391 7.278 0.113 1
1 341 . 17 1 1 A 35 35 HIS CA C 35 55.026 55.327 -0.301 1
1 342 . 17 1 1 A 35 35 HIS HA H 35 4.926 4.462 0.464 1
1 343 . 17 1 1 A 35 35 HIS CB C 35 28.797 28.249 0.548 1
1 350 . 17 1 1 A 35 35 HIS C C 35 175.409 174.885 0.524 1
1 351 . 17 1 1 A 36 36 THR N N 36 112.789 118.351 -5.562 1
1 352 . 17 1 1 A 36 36 THR H H 36 7.775 8.616 -0.841 1
1 353 . 17 1 1 A 36 36 THR CA C 36 62.596 60.529 2.067 1
1 354 . 17 1 1 A 36 36 THR HA H 36 4.358 4.551 -0.193 1
1 355 . 17 1 1 A 36 36 THR CB C 36 69.874 70.572 -0.698 1
1 361 . 17 1 1 A 36 36 THR C C 36 175.265 173.692 1.573 1
1 362 . 17 1 1 A 37 37 GLY N N 37 110.969 113.628 -2.659 1
1 363 . 17 1 1 A 37 37 GLY H H 37 8.409 8.359 0.050 1
1 364 . 17 1 1 A 37 37 GLY CA C 37 45.427 47.050 -1.623 1
1 365 . 17 1 1 A 37 37 GLY HA2 H 37 4.036 3.853 0.183 1
1 366 . 17 1 1 A 37 37 GLY HA3 H 37 3.983 3.861 0.122 1
1 367 . 17 1 1 A 37 37 GLY C C 37 173.997 175.007 -1.010 1
1 368 . 17 1 1 A 38 38 GLU N N 38 120.635 126.074 -5.439 1
1 369 . 17 1 1 A 38 38 GLU H H 38 8.171 8.760 -0.589 1
1 370 . 17 1 1 A 38 38 GLU CA C 38 56.637 59.401 -2.764 1
1 371 . 17 1 1 A 38 38 GLU HA H 38 4.253 3.857 0.396 1
1 372 . 17 1 1 A 38 38 GLU CB C 38 30.415 29.303 1.112 1
1 378 . 17 1 1 A 38 38 GLU C C 38 176.470 177.509 -1.039 1
1 379 . 17 1 1 A 39 39 ARG N N 39 121.782 120.518 1.264 1
1 380 . 17 1 1 A 39 39 ARG H H 39 8.351 7.723 0.628 1
1 381 . 17 1 1 A 39 39 ARG CA C 39 56.036 57.202 -1.166 1
1 382 . 17 1 1 A 39 39 ARG HA H 39 4.315 4.133 0.182 1
1 383 . 17 1 1 A 39 39 ARG CB C 39 30.779 30.573 0.206 1
1 392 . 17 1 1 A 39 39 ARG C C 39 176.053 175.912 0.141 1
1 397 . 17 1 1 A 42 42 GLY CA C 42 44.643 44.470 0.173 1
1 398 . 17 1 1 A 42 42 GLY HA2 H 42 4.150 4.129 0.021 1
1 399 . 17 1 1 A 42 42 GLY HA3 H 42 4.150 4.133 0.017 1
1 400 . 17 1 1 A 43 43 PRO CA C 43 63.307 62.830 0.477 1
1 401 . 17 1 1 A 43 43 PRO HA H 43 4.501 4.652 -0.151 1
1 402 . 17 1 1 A 43 43 PRO CB C 43 32.245 31.758 0.487 1
1 411 . 17 1 1 A 43 43 PRO C C 43 174.518 177.435 -2.917 1
1 412 . 17 1 1 A 44 44 SER N N 44 116.564 120.367 -3.803 1
1 413 . 17 1 1 A 44 44 SER H H 44 8.531 8.629 -0.098 1
1 414 . 17 1 1 A 44 44 SER CA C 44 58.000 61.150 -3.150 1
1 1 . 18 1 1 A 7 7 GLY CA C 7 45.443 46.962 -1.519 1
1 2 . 18 1 1 A 7 7 GLY HA2 H 7 4.001 3.880 0.121 1
1 3 . 18 1 1 A 7 7 GLY HA3 H 7 4.001 3.886 0.115 1
1 4 . 18 1 1 A 7 7 GLY C C 7 174.517 175.532 -1.015 1
1 5 . 18 1 1 A 8 8 THR N N 8 112.810 113.182 -0.372 1
1 6 . 18 1 1 A 8 8 THR H H 8 8.114 8.260 -0.146 1
1 7 . 18 1 1 A 8 8 THR CA C 8 61.946 61.619 0.327 1
1 8 . 18 1 1 A 8 8 THR HA H 8 4.359 4.327 0.032 1
1 9 . 18 1 1 A 8 8 THR CB C 8 69.788 68.646 1.142 1
1 15 . 18 1 1 A 8 8 THR C C 8 175.261 174.299 0.962 1
1 16 . 18 1 1 A 9 9 GLY CA C 9 45.194 46.039 -0.845 1
1 17 . 18 1 1 A 9 9 GLY HA2 H 9 3.934 4.047 -0.113 1
1 18 . 18 1 1 A 9 9 GLY HA3 H 9 3.934 4.052 -0.118 1
1 19 . 18 1 1 A 10 10 GLU N N 10 120.417 123.059 -2.642 1
1 20 . 18 1 1 A 10 10 GLU H H 10 8.163 8.768 -0.605 1
1 21 . 18 1 1 A 10 10 GLU CA C 10 56.630 55.143 1.487 1
1 22 . 18 1 1 A 10 10 GLU HA H 10 4.157 5.061 -0.904 1
1 23 . 18 1 1 A 10 10 GLU CB C 10 30.424 32.027 -1.603 1
1 28 . 18 1 1 A 10 10 GLU C C 10 176.283 175.456 0.827 1
1 29 . 18 1 1 A 11 11 LYS N N 11 122.818 125.532 -2.714 1
1 30 . 18 1 1 A 11 11 LYS H H 11 8.319 8.628 -0.309 1
1 31 . 18 1 1 A 11 11 LYS CA C 11 54.069 53.178 0.891 1
1 32 . 18 1 1 A 11 11 LYS HA H 11 4.416 4.794 -0.378 1
1 33 . 18 1 1 A 11 11 LYS CB C 11 32.659 33.633 -0.974 1
1 45 . 18 1 1 A 11 11 LYS C C 11 174.368 176.256 -1.888 1
1 46 . 18 1 1 A 12 12 PRO CA C 12 63.821 63.873 -0.052 1
1 47 . 18 1 1 A 12 12 PRO HA H 12 4.190 4.325 -0.135 1
1 48 . 18 1 1 A 12 12 PRO CB C 12 32.246 31.196 1.050 1
1 57 . 18 1 1 A 12 12 PRO C C 12 176.504 175.410 1.094 1
1 58 . 18 1 1 A 13 13 TYR N N 13 117.532 118.897 -1.365 1
1 59 . 18 1 1 A 13 13 TYR H H 13 7.808 7.390 0.418 1
1 60 . 18 1 1 A 13 13 TYR CA C 13 57.460 56.690 0.770 1
1 61 . 18 1 1 A 13 13 TYR HA H 13 4.723 5.346 -0.623 1
1 62 . 18 1 1 A 13 13 TYR CB C 13 38.681 42.112 -3.431 1
1 73 . 18 1 1 A 13 13 TYR C C 13 174.392 174.524 -0.132 1
1 74 . 18 1 1 A 14 14 LYS N N 14 125.155 122.703 2.452 1
1 75 . 18 1 1 A 14 14 LYS H H 14 8.658 8.935 -0.277 1
1 76 . 18 1 1 A 14 14 LYS CA C 14 55.182 55.307 -0.125 1
1 77 . 18 1 1 A 14 14 LYS HA H 14 4.897 4.957 -0.060 1
1 78 . 18 1 1 A 14 14 LYS CB C 14 35.362 36.352 -0.990 1
1 90 . 18 1 1 A 14 14 LYS C C 14 175.434 175.019 0.415 1
1 91 . 18 1 1 A 15 15 CYS N N 15 127.487 125.408 2.079 1
1 92 . 18 1 1 A 15 15 CYS H H 15 9.257 9.567 -0.310 1
1 93 . 18 1 1 A 15 15 CYS CA C 15 59.645 59.617 0.028 1
1 94 . 18 1 1 A 15 15 CYS HA H 15 4.552 4.637 -0.085 1
1 95 . 18 1 1 A 15 15 CYS CB C 15 29.714 28.262 1.452 1
1 98 . 18 1 1 A 15 15 CYS C C 15 177.361 176.440 0.921 1
1 99 . 18 1 1 A 16 16 SER CA C 16 61.056 58.991 2.065 1
1 100 . 18 1 1 A 16 16 SER HA H 16 4.265 4.553 -0.288 1
1 101 . 18 1 1 A 16 16 SER CB C 16 63.129 62.982 0.147 1
1 104 . 18 1 1 A 16 16 SER C C 16 174.425 175.169 -0.744 1
1 105 . 18 1 1 A 17 17 ASP N N 17 122.836 120.097 2.739 1
1 106 . 18 1 1 A 17 17 ASP H H 17 8.675 7.801 0.874 1
1 107 . 18 1 1 A 17 17 ASP CA C 17 56.882 56.345 0.537 1
1 108 . 18 1 1 A 17 17 ASP HA H 17 4.573 4.529 0.044 1
1 109 . 18 1 1 A 17 17 ASP CB C 17 41.393 41.235 0.158 1
1 112 . 18 1 1 A 17 17 ASP C C 17 176.693 177.314 -0.621 1
1 113 . 18 1 1 A 18 18 CYS N N 18 114.845 114.991 -0.146 1
1 114 . 18 1 1 A 18 18 CYS H H 18 7.871 7.738 0.133 1
1 115 . 18 1 1 A 18 18 CYS CA C 18 58.669 59.738 -1.069 1
1 116 . 18 1 1 A 18 18 CYS HA H 18 5.149 4.697 0.452 1
1 117 . 18 1 1 A 18 18 CYS CB C 18 32.360 29.973 2.387 1
1 120 . 18 1 1 A 18 18 CYS C C 18 176.087 175.446 0.641 1
1 121 . 18 1 1 A 19 19 GLY N N 19 112.703 109.812 2.891 1
1 122 . 18 1 1 A 19 19 GLY H H 19 8.234 8.017 0.217 1
1 123 . 18 1 1 A 19 19 GLY CA C 19 46.239 45.031 1.208 1
1 124 . 18 1 1 A 19 19 GLY HA2 H 19 3.805 4.113 -0.308 1
1 125 . 18 1 1 A 19 19 GLY HA3 H 19 4.261 4.122 0.139 1
1 126 . 18 1 1 A 19 19 GLY C C 19 173.775 174.321 -0.546 1
1 127 . 18 1 1 A 20 20 LYS N N 20 123.389 120.402 2.987 1
1 128 . 18 1 1 A 20 20 LYS H H 20 8.104 7.369 0.735 1
1 129 . 18 1 1 A 20 20 LYS CA C 20 58.247 55.283 2.964 1
1 130 . 18 1 1 A 20 20 LYS HA H 20 4.062 4.472 -0.410 1
1 131 . 18 1 1 A 20 20 LYS CB C 20 33.784 34.057 -0.273 1
1 143 . 18 1 1 A 20 20 LYS C C 20 174.521 174.921 -0.400 1
1 144 . 18 1 1 A 21 21 SER N N 21 115.758 115.878 -0.120 1
1 145 . 18 1 1 A 21 21 SER H H 21 7.892 8.277 -0.385 1
1 146 . 18 1 1 A 21 21 SER CA C 21 57.156 55.976 1.180 1
1 147 . 18 1 1 A 21 21 SER HA H 21 5.346 5.551 -0.205 1
1 148 . 18 1 1 A 21 21 SER CB C 21 65.985 66.303 -0.318 1
1 151 . 18 1 1 A 21 21 SER C C 21 172.978 172.564 0.414 1
1 152 . 18 1 1 A 22 22 PHE N N 22 117.880 123.094 -5.214 1
1 153 . 18 1 1 A 22 22 PHE H H 22 8.858 8.536 0.322 1
1 154 . 18 1 1 A 22 22 PHE CA C 22 57.670 56.608 1.062 1
1 155 . 18 1 1 A 22 22 PHE HA H 22 4.809 4.940 -0.131 1
1 156 . 18 1 1 A 22 22 PHE CB C 22 43.763 43.204 0.559 1
1 169 . 18 1 1 A 22 22 PHE C C 22 175.046 175.407 -0.361 1
1 170 . 18 1 1 A 23 23 THR N N 23 119.545 118.035 1.510 1
1 171 . 18 1 1 A 23 23 THR H H 23 9.181 8.762 0.419 1
1 172 . 18 1 1 A 23 23 THR CA C 23 65.464 64.415 1.049 1
1 173 . 18 1 1 A 23 23 THR HA H 23 4.093 4.535 -0.442 1
1 174 . 18 1 1 A 23 23 THR CB C 23 69.486 70.113 -0.627 1
1 180 . 18 1 1 A 23 23 THR C C 23 173.355 174.607 -1.252 1
1 181 . 18 1 1 A 24 24 TRP N N 24 117.211 121.238 -4.027 1
1 182 . 18 1 1 A 24 24 TRP H H 24 7.379 7.749 -0.370 1
1 183 . 18 1 1 A 24 24 TRP CA C 24 55.014 57.122 -2.108 1
1 184 . 18 1 1 A 24 24 TRP HA H 24 5.262 4.802 0.460 1
1 185 . 18 1 1 A 24 24 TRP CB C 24 32.074 31.002 1.072 1
1 200 . 18 1 1 A 24 24 TRP C C 24 176.715 176.188 0.527 1
1 201 . 18 1 1 A 25 25 LYS N N 25 128.489 123.992 4.497 1
1 202 . 18 1 1 A 25 25 LYS H H 25 8.898 9.243 -0.345 1
1 203 . 18 1 1 A 25 25 LYS CA C 25 59.794 57.803 1.991 1
1 204 . 18 1 1 A 25 25 LYS HA H 25 3.170 3.910 -0.740 1
1 205 . 18 1 1 A 25 25 LYS CB C 25 31.754 33.174 -1.420 1
1 217 . 18 1 1 A 25 25 LYS C C 25 178.478 179.172 -0.694 1
1 218 . 18 1 1 A 26 26 SER CA C 26 60.740 61.956 -1.216 1
1 219 . 18 1 1 A 26 26 SER HA H 26 4.015 4.047 -0.032 1
1 220 . 18 1 1 A 26 26 SER CB C 26 61.524 62.761 -1.237 1
1 223 . 18 1 1 A 26 26 SER C C 26 176.918 177.159 -0.241 1
1 224 . 18 1 1 A 27 27 ARG N N 27 120.638 122.312 -1.674 1
1 225 . 18 1 1 A 27 27 ARG H H 27 6.893 7.983 -1.090 1
1 226 . 18 1 1 A 27 27 ARG CA C 27 57.881 59.128 -1.247 1
1 227 . 18 1 1 A 27 27 ARG HA H 27 4.093 4.096 -0.003 1
1 228 . 18 1 1 A 27 27 ARG CB C 27 29.682 29.882 -0.200 1
1 237 . 18 1 1 A 27 27 ARG C C 27 178.625 178.993 -0.368 1
1 238 . 18 1 1 A 28 28 LEU N N 28 122.539 121.317 1.222 1
1 239 . 18 1 1 A 28 28 LEU H H 28 7.143 8.130 -0.987 1
1 240 . 18 1 1 A 28 28 LEU CA C 28 57.892 57.900 -0.008 1
1 241 . 18 1 1 A 28 28 LEU HA H 28 3.096 3.201 -0.105 1
1 242 . 18 1 1 A 28 28 LEU CB C 28 40.043 41.460 -1.417 1
1 255 . 18 1 1 A 28 28 LEU C C 28 177.418 178.419 -1.001 1
1 256 . 18 1 1 A 29 29 ARG N N 29 117.943 118.126 -0.183 1
1 257 . 18 1 1 A 29 29 ARG H H 29 8.015 7.969 0.046 1
1 258 . 18 1 1 A 29 29 ARG CA C 29 59.184 59.604 -0.420 1
1 259 . 18 1 1 A 29 29 ARG HA H 29 4.125 3.862 0.263 1
1 260 . 18 1 1 A 29 29 ARG CB C 29 29.612 29.903 -0.291 1
1 269 . 18 1 1 A 29 29 ARG C C 29 179.325 178.672 0.653 1
1 270 . 18 1 1 A 30 30 ILE N N 30 118.338 120.505 -2.167 1
1 271 . 18 1 1 A 30 30 ILE H H 30 7.320 7.739 -0.419 1
1 272 . 18 1 1 A 30 30 ILE CA C 30 64.473 64.911 -0.438 1
1 273 . 18 1 1 A 30 30 ILE HA H 30 3.688 3.791 -0.103 1
1 274 . 18 1 1 A 30 30 ILE CB C 30 38.505 37.910 0.595 1
1 287 . 18 1 1 A 30 30 ILE C C 30 178.655 178.367 0.288 1
1 288 . 18 1 1 A 31 31 HIS N N 31 120.313 120.167 0.146 1
1 289 . 18 1 1 A 31 31 HIS H H 31 7.695 8.640 -0.945 1
1 290 . 18 1 1 A 31 31 HIS CA C 31 59.398 60.099 -0.701 1
1 291 . 18 1 1 A 31 31 HIS HA H 31 4.270 4.087 0.183 1
1 292 . 18 1 1 A 31 31 HIS CB C 31 28.465 29.688 -1.223 1
1 299 . 18 1 1 A 31 31 HIS C C 31 177.067 177.381 -0.314 1
1 300 . 18 1 1 A 32 32 GLN N N 32 116.561 119.120 -2.559 1
1 301 . 18 1 1 A 32 32 GLN H H 32 8.559 8.315 0.244 1
1 302 . 18 1 1 A 32 32 GLN CA C 32 59.534 59.460 0.074 1
1 303 . 18 1 1 A 32 32 GLN HA H 32 3.729 3.989 -0.260 1
1 304 . 18 1 1 A 32 32 GLN CB C 32 28.512 28.774 -0.262 1
1 313 . 18 1 1 A 32 32 GLN C C 32 177.525 178.720 -1.195 1
1 314 . 18 1 1 A 33 33 LYS N N 33 118.421 118.681 -0.260 1
1 315 . 18 1 1 A 33 33 LYS H H 33 7.242 8.210 -0.968 1
1 316 . 18 1 1 A 33 33 LYS CA C 33 58.469 59.340 -0.871 1
1 317 . 18 1 1 A 33 33 LYS HA H 33 4.133 3.998 0.135 1
1 318 . 18 1 1 A 33 33 LYS CB C 33 32.009 32.390 -0.381 1
1 330 . 18 1 1 A 33 33 LYS C C 33 178.287 179.091 -0.804 1
1 331 . 18 1 1 A 34 34 CYS N N 34 115.499 118.977 -3.478 1
1 332 . 18 1 1 A 34 34 CYS H H 34 7.930 7.563 0.367 1
1 333 . 18 1 1 A 34 34 CYS CA C 34 60.410 62.114 -1.704 1
1 334 . 18 1 1 A 34 34 CYS HA H 34 4.349 4.055 0.294 1
1 335 . 18 1 1 A 34 34 CYS CB C 34 26.603 26.985 -0.382 1
1 338 . 18 1 1 A 34 34 CYS C C 34 175.397 177.160 -1.763 1
1 339 . 18 1 1 A 35 35 HIS N N 35 119.063 119.296 -0.233 1
1 340 . 18 1 1 A 35 35 HIS H H 35 7.391 7.583 -0.192 1
1 341 . 18 1 1 A 35 35 HIS CA C 35 55.026 58.475 -3.449 1
1 342 . 18 1 1 A 35 35 HIS HA H 35 4.926 4.403 0.523 1
1 343 . 18 1 1 A 35 35 HIS CB C 35 28.797 29.652 -0.855 1
1 350 . 18 1 1 A 35 35 HIS C C 35 175.409 175.765 -0.356 1
1 351 . 18 1 1 A 36 36 THR N N 36 112.789 109.792 2.997 1
1 352 . 18 1 1 A 36 36 THR H H 36 7.775 7.550 0.225 1
1 353 . 18 1 1 A 36 36 THR CA C 36 62.596 61.165 1.431 1
1 354 . 18 1 1 A 36 36 THR HA H 36 4.358 4.466 -0.108 1
1 355 . 18 1 1 A 36 36 THR CB C 36 69.874 70.025 -0.151 1
1 361 . 18 1 1 A 36 36 THR C C 36 175.265 174.595 0.670 1
1 362 . 18 1 1 A 37 37 GLY N N 37 110.969 111.194 -0.225 1
1 363 . 18 1 1 A 37 37 GLY H H 37 8.409 8.309 0.100 1
1 364 . 18 1 1 A 37 37 GLY CA C 37 45.427 45.187 0.240 1
1 365 . 18 1 1 A 37 37 GLY HA2 H 37 4.036 4.046 -0.010 1
1 366 . 18 1 1 A 37 37 GLY HA3 H 37 3.983 4.059 -0.076 1
1 367 . 18 1 1 A 37 37 GLY C C 37 173.997 174.566 -0.569 1
1 368 . 18 1 1 A 38 38 GLU N N 38 120.635 114.157 6.478 1
1 369 . 18 1 1 A 38 38 GLU H H 38 8.171 8.281 -0.110 1
1 370 . 18 1 1 A 38 38 GLU CA C 38 56.637 57.471 -0.834 1
1 371 . 18 1 1 A 38 38 GLU HA H 38 4.253 4.067 0.186 1
1 372 . 18 1 1 A 38 38 GLU CB C 38 30.415 27.406 3.009 1
1 378 . 18 1 1 A 38 38 GLU C C 38 176.470 176.131 0.339 1
1 379 . 18 1 1 A 39 39 ARG N N 39 121.782 118.311 3.471 1
1 380 . 18 1 1 A 39 39 ARG H H 39 8.351 8.255 0.096 1
1 381 . 18 1 1 A 39 39 ARG CA C 39 56.036 58.383 -2.347 1
1 382 . 18 1 1 A 39 39 ARG HA H 39 4.315 3.853 0.462 1
1 383 . 18 1 1 A 39 39 ARG CB C 39 30.779 30.249 0.530 1
1 392 . 18 1 1 A 39 39 ARG C C 39 176.053 176.154 -0.101 1
1 397 . 18 1 1 A 42 42 GLY CA C 42 44.643 45.063 -0.420 1
1 398 . 18 1 1 A 42 42 GLY HA2 H 42 4.150 4.138 0.012 1
1 399 . 18 1 1 A 42 42 GLY HA3 H 42 4.150 4.147 0.003 1
1 400 . 18 1 1 A 43 43 PRO CA C 43 63.307 64.011 -0.704 1
1 401 . 18 1 1 A 43 43 PRO HA H 43 4.501 4.514 -0.013 1
1 402 . 18 1 1 A 43 43 PRO CB C 43 32.245 31.732 0.513 1
1 411 . 18 1 1 A 43 43 PRO C C 43 174.518 177.100 -2.582 1
1 412 . 18 1 1 A 44 44 SER N N 44 116.564 114.251 2.313 1
1 413 . 18 1 1 A 44 44 SER H H 44 8.531 8.328 0.203 1
1 414 . 18 1 1 A 44 44 SER CA C 44 58.000 59.443 -1.443 1
1 1 . 19 1 1 A 7 7 GLY CA C 7 45.443 44.766 0.677 1
1 2 . 19 1 1 A 7 7 GLY HA2 H 7 4.001 4.334 -0.333 1
1 3 . 19 1 1 A 7 7 GLY HA3 H 7 4.001 4.336 -0.335 1
1 4 . 19 1 1 A 7 7 GLY C C 7 174.517 174.940 -0.423 1
1 5 . 19 1 1 A 8 8 THR N N 8 112.810 115.961 -3.151 1
1 6 . 19 1 1 A 8 8 THR H H 8 8.114 8.985 -0.871 1
1 7 . 19 1 1 A 8 8 THR CA C 8 61.946 65.022 -3.076 1
1 8 . 19 1 1 A 8 8 THR HA H 8 4.359 4.011 0.348 1
1 9 . 19 1 1 A 8 8 THR CB C 8 69.788 68.679 1.109 1
1 15 . 19 1 1 A 8 8 THR C C 8 175.261 175.413 -0.152 1
1 16 . 19 1 1 A 9 9 GLY CA C 9 45.194 46.007 -0.813 1
1 17 . 19 1 1 A 9 9 GLY HA2 H 9 3.934 3.797 0.137 1
1 18 . 19 1 1 A 9 9 GLY HA3 H 9 3.934 3.798 0.136 1
1 19 . 19 1 1 A 10 10 GLU N N 10 120.417 126.318 -5.901 1
1 20 . 19 1 1 A 10 10 GLU H H 10 8.163 8.722 -0.559 1
1 21 . 19 1 1 A 10 10 GLU CA C 10 56.630 55.436 1.194 1
1 22 . 19 1 1 A 10 10 GLU HA H 10 4.157 4.630 -0.473 1
1 23 . 19 1 1 A 10 10 GLU CB C 10 30.424 29.763 0.661 1
1 28 . 19 1 1 A 10 10 GLU C C 10 176.283 174.913 1.370 1
1 29 . 19 1 1 A 11 11 LYS N N 11 122.818 125.985 -3.167 1
1 30 . 19 1 1 A 11 11 LYS H H 11 8.319 8.583 -0.264 1
1 31 . 19 1 1 A 11 11 LYS CA C 11 54.069 52.572 1.497 1
1 32 . 19 1 1 A 11 11 LYS HA H 11 4.416 4.642 -0.226 1
1 33 . 19 1 1 A 11 11 LYS CB C 11 32.659 32.716 -0.057 1
1 45 . 19 1 1 A 11 11 LYS C C 11 174.368 176.050 -1.682 1
1 46 . 19 1 1 A 12 12 PRO CA C 12 63.821 63.757 0.064 1
1 47 . 19 1 1 A 12 12 PRO HA H 12 4.190 4.306 -0.116 1
1 48 . 19 1 1 A 12 12 PRO CB C 12 32.246 31.059 1.187 1
1 57 . 19 1 1 A 12 12 PRO C C 12 176.504 175.537 0.967 1
1 58 . 19 1 1 A 13 13 TYR N N 13 117.532 118.851 -1.319 1
1 59 . 19 1 1 A 13 13 TYR H H 13 7.808 7.268 0.540 1
1 60 . 19 1 1 A 13 13 TYR CA C 13 57.460 56.520 0.940 1
1 61 . 19 1 1 A 13 13 TYR HA H 13 4.723 5.330 -0.607 1
1 62 . 19 1 1 A 13 13 TYR CB C 13 38.681 42.857 -4.176 1
1 73 . 19 1 1 A 13 13 TYR C C 13 174.392 174.541 -0.149 1
1 74 . 19 1 1 A 14 14 LYS N N 14 125.155 122.482 2.673 1
1 75 . 19 1 1 A 14 14 LYS H H 14 8.658 8.895 -0.237 1
1 76 . 19 1 1 A 14 14 LYS CA C 14 55.182 55.508 -0.326 1
1 77 . 19 1 1 A 14 14 LYS HA H 14 4.897 5.054 -0.157 1
1 78 . 19 1 1 A 14 14 LYS CB C 14 35.362 36.299 -0.937 1
1 90 . 19 1 1 A 14 14 LYS C C 14 175.434 174.881 0.553 1
1 91 . 19 1 1 A 15 15 CYS N N 15 127.487 125.924 1.563 1
1 92 . 19 1 1 A 15 15 CYS H H 15 9.257 9.247 0.010 1
1 93 . 19 1 1 A 15 15 CYS CA C 15 59.645 58.849 0.796 1
1 94 . 19 1 1 A 15 15 CYS HA H 15 4.552 4.560 -0.008 1
1 95 . 19 1 1 A 15 15 CYS CB C 15 29.714 27.621 2.093 1
1 98 . 19 1 1 A 15 15 CYS C C 15 177.361 174.953 2.408 1
1 99 . 19 1 1 A 16 16 SER CA C 16 61.056 61.223 -0.167 1
1 100 . 19 1 1 A 16 16 SER HA H 16 4.265 4.126 0.139 1
1 101 . 19 1 1 A 16 16 SER CB C 16 63.129 62.885 0.244 1
1 104 . 19 1 1 A 16 16 SER C C 16 174.425 176.565 -2.140 1
1 105 . 19 1 1 A 17 17 ASP N N 17 122.836 121.124 1.712 1
1 106 . 19 1 1 A 17 17 ASP H H 17 8.675 8.352 0.323 1
1 107 . 19 1 1 A 17 17 ASP CA C 17 56.882 57.582 -0.700 1
1 108 . 19 1 1 A 17 17 ASP HA H 17 4.573 4.330 0.243 1
1 109 . 19 1 1 A 17 17 ASP CB C 17 41.393 40.580 0.813 1
1 112 . 19 1 1 A 17 17 ASP C C 17 176.693 177.779 -1.086 1
1 113 . 19 1 1 A 18 18 CYS N N 18 114.845 113.878 0.967 1
1 114 . 19 1 1 A 18 18 CYS H H 18 7.871 7.661 0.210 1
1 115 . 19 1 1 A 18 18 CYS CA C 18 58.669 59.741 -1.072 1
1 116 . 19 1 1 A 18 18 CYS HA H 18 5.149 4.610 0.539 1
1 117 . 19 1 1 A 18 18 CYS CB C 18 32.360 29.671 2.689 1
1 120 . 19 1 1 A 18 18 CYS C C 18 176.087 175.360 0.727 1
1 121 . 19 1 1 A 19 19 GLY N N 19 112.703 110.404 2.299 1
1 122 . 19 1 1 A 19 19 GLY H H 19 8.234 8.590 -0.356 1
1 123 . 19 1 1 A 19 19 GLY CA C 19 46.239 45.267 0.972 1
1 124 . 19 1 1 A 19 19 GLY HA2 H 19 3.805 4.101 -0.296 1
1 125 . 19 1 1 A 19 19 GLY HA3 H 19 4.261 4.117 0.144 1
1 126 . 19 1 1 A 19 19 GLY C C 19 173.775 174.300 -0.525 1
1 127 . 19 1 1 A 20 20 LYS N N 20 123.389 121.821 1.568 1
1 128 . 19 1 1 A 20 20 LYS H H 20 8.104 7.522 0.582 1
1 129 . 19 1 1 A 20 20 LYS CA C 20 58.247 55.245 3.002 1
1 130 . 19 1 1 A 20 20 LYS HA H 20 4.062 4.618 -0.556 1
1 131 . 19 1 1 A 20 20 LYS CB C 20 33.784 34.373 -0.589 1
1 143 . 19 1 1 A 20 20 LYS C C 20 174.521 175.445 -0.924 1
1 144 . 19 1 1 A 21 21 SER N N 21 115.758 116.432 -0.674 1
1 145 . 19 1 1 A 21 21 SER H H 21 7.892 8.690 -0.798 1
1 146 . 19 1 1 A 21 21 SER CA C 21 57.156 55.882 1.274 1
1 147 . 19 1 1 A 21 21 SER HA H 21 5.346 5.751 -0.405 1
1 148 . 19 1 1 A 21 21 SER CB C 21 65.985 65.898 0.087 1
1 151 . 19 1 1 A 21 21 SER C C 21 172.978 173.346 -0.368 1
1 152 . 19 1 1 A 22 22 PHE N N 22 117.880 118.914 -1.034 1
1 153 . 19 1 1 A 22 22 PHE H H 22 8.858 8.385 0.473 1
1 154 . 19 1 1 A 22 22 PHE CA C 22 57.670 56.514 1.156 1
1 155 . 19 1 1 A 22 22 PHE HA H 22 4.809 5.039 -0.230 1
1 156 . 19 1 1 A 22 22 PHE CB C 22 43.763 44.045 -0.282 1
1 169 . 19 1 1 A 22 22 PHE C C 22 175.046 175.521 -0.475 1
1 170 . 19 1 1 A 23 23 THR N N 23 119.545 114.929 4.616 1
1 171 . 19 1 1 A 23 23 THR H H 23 9.181 8.685 0.496 1
1 172 . 19 1 1 A 23 23 THR CA C 23 65.464 64.018 1.446 1
1 173 . 19 1 1 A 23 23 THR HA H 23 4.093 4.385 -0.292 1
1 174 . 19 1 1 A 23 23 THR CB C 23 69.486 70.084 -0.598 1
1 180 . 19 1 1 A 23 23 THR C C 23 173.355 174.709 -1.354 1
1 181 . 19 1 1 A 24 24 TRP N N 24 117.211 119.548 -2.337 1
1 182 . 19 1 1 A 24 24 TRP H H 24 7.379 8.159 -0.780 1
1 183 . 19 1 1 A 24 24 TRP CA C 24 55.014 56.702 -1.688 1
1 184 . 19 1 1 A 24 24 TRP HA H 24 5.262 5.107 0.155 1
1 185 . 19 1 1 A 24 24 TRP CB C 24 32.074 31.317 0.757 1
1 200 . 19 1 1 A 24 24 TRP C C 24 176.715 176.932 -0.217 1
1 201 . 19 1 1 A 25 25 LYS N N 25 128.489 125.360 3.129 1
1 202 . 19 1 1 A 25 25 LYS H H 25 8.898 9.048 -0.150 1
1 203 . 19 1 1 A 25 25 LYS CA C 25 59.794 60.095 -0.301 1
1 204 . 19 1 1 A 25 25 LYS HA H 25 3.170 3.549 -0.379 1
1 205 . 19 1 1 A 25 25 LYS CB C 25 31.754 32.098 -0.344 1
1 217 . 19 1 1 A 25 25 LYS C C 25 178.478 178.482 -0.004 1
1 218 . 19 1 1 A 26 26 SER CA C 26 60.740 61.795 -1.055 1
1 219 . 19 1 1 A 26 26 SER HA H 26 4.015 4.081 -0.066 1
1 220 . 19 1 1 A 26 26 SER CB C 26 61.524 63.061 -1.537 1
1 223 . 19 1 1 A 26 26 SER C C 26 176.918 177.147 -0.229 1
1 224 . 19 1 1 A 27 27 ARG N N 27 120.638 120.806 -0.168 1
1 225 . 19 1 1 A 27 27 ARG H H 27 6.893 8.205 -1.312 1
1 226 . 19 1 1 A 27 27 ARG CA C 27 57.881 59.598 -1.717 1
1 227 . 19 1 1 A 27 27 ARG HA H 27 4.093 4.025 0.068 1
1 228 . 19 1 1 A 27 27 ARG CB C 27 29.682 30.315 -0.633 1
1 237 . 19 1 1 A 27 27 ARG C C 27 178.625 178.678 -0.053 1
1 238 . 19 1 1 A 28 28 LEU N N 28 122.539 121.540 0.999 1
1 239 . 19 1 1 A 28 28 LEU H H 28 7.143 7.972 -0.829 1
1 240 . 19 1 1 A 28 28 LEU CA C 28 57.892 57.318 0.574 1
1 241 . 19 1 1 A 28 28 LEU HA H 28 3.096 3.102 -0.006 1
1 242 . 19 1 1 A 28 28 LEU CB C 28 40.043 41.123 -1.080 1
1 255 . 19 1 1 A 28 28 LEU C C 28 177.418 178.358 -0.940 1
1 256 . 19 1 1 A 29 29 ARG N N 29 117.943 118.453 -0.510 1
1 257 . 19 1 1 A 29 29 ARG H H 29 8.015 8.161 -0.146 1
1 258 . 19 1 1 A 29 29 ARG CA C 29 59.184 59.166 0.018 1
1 259 . 19 1 1 A 29 29 ARG HA H 29 4.125 3.880 0.245 1
1 260 . 19 1 1 A 29 29 ARG CB C 29 29.612 30.014 -0.402 1
1 269 . 19 1 1 A 29 29 ARG C C 29 179.325 178.894 0.431 1
1 270 . 19 1 1 A 30 30 ILE N N 30 118.338 120.487 -2.149 1
1 271 . 19 1 1 A 30 30 ILE H H 30 7.320 7.703 -0.383 1
1 272 . 19 1 1 A 30 30 ILE CA C 30 64.473 65.543 -1.070 1
1 273 . 19 1 1 A 30 30 ILE HA H 30 3.688 3.662 0.026 1
1 274 . 19 1 1 A 30 30 ILE CB C 30 38.505 38.033 0.472 1
1 287 . 19 1 1 A 30 30 ILE C C 30 178.655 178.167 0.488 1
1 288 . 19 1 1 A 31 31 HIS N N 31 120.313 119.532 0.781 1
1 289 . 19 1 1 A 31 31 HIS H H 31 7.695 8.393 -0.698 1
1 290 . 19 1 1 A 31 31 HIS CA C 31 59.398 60.152 -0.754 1
1 291 . 19 1 1 A 31 31 HIS HA H 31 4.270 4.081 0.189 1
1 292 . 19 1 1 A 31 31 HIS CB C 31 28.465 29.608 -1.143 1
1 299 . 19 1 1 A 31 31 HIS C C 31 177.067 176.456 0.611 1
1 300 . 19 1 1 A 32 32 GLN N N 32 116.561 117.424 -0.863 1
1 301 . 19 1 1 A 32 32 GLN H H 32 8.559 8.198 0.361 1
1 302 . 19 1 1 A 32 32 GLN CA C 32 59.534 59.229 0.305 1
1 303 . 19 1 1 A 32 32 GLN HA H 32 3.729 3.745 -0.016 1
1 304 . 19 1 1 A 32 32 GLN CB C 32 28.512 27.994 0.518 1
1 313 . 19 1 1 A 32 32 GLN C C 32 177.525 178.829 -1.304 1
1 314 . 19 1 1 A 33 33 LYS N N 33 118.421 118.947 -0.526 1
1 315 . 19 1 1 A 33 33 LYS H H 33 7.242 7.718 -0.476 1
1 316 . 19 1 1 A 33 33 LYS CA C 33 58.469 59.381 -0.912 1
1 317 . 19 1 1 A 33 33 LYS HA H 33 4.133 3.983 0.150 1
1 318 . 19 1 1 A 33 33 LYS CB C 33 32.009 32.297 -0.288 1
1 330 . 19 1 1 A 33 33 LYS C C 33 178.287 178.843 -0.556 1
1 331 . 19 1 1 A 34 34 CYS N N 34 115.499 118.852 -3.353 1
1 332 . 19 1 1 A 34 34 CYS H H 34 7.930 7.745 0.185 1
1 333 . 19 1 1 A 34 34 CYS CA C 34 60.410 62.717 -2.307 1
1 334 . 19 1 1 A 34 34 CYS HA H 34 4.349 3.926 0.423 1
1 335 . 19 1 1 A 34 34 CYS CB C 34 26.603 26.224 0.379 1
1 338 . 19 1 1 A 34 34 CYS C C 34 175.397 177.407 -2.010 1
1 339 . 19 1 1 A 35 35 HIS N N 35 119.063 119.275 -0.212 1
1 340 . 19 1 1 A 35 35 HIS H H 35 7.391 7.731 -0.340 1
1 341 . 19 1 1 A 35 35 HIS CA C 35 55.026 58.965 -3.939 1
1 342 . 19 1 1 A 35 35 HIS HA H 35 4.926 4.311 0.615 1
1 343 . 19 1 1 A 35 35 HIS CB C 35 28.797 30.038 -1.241 1
1 350 . 19 1 1 A 35 35 HIS C C 35 175.409 177.955 -2.546 1
1 351 . 19 1 1 A 36 36 THR N N 36 112.789 112.932 -0.143 1
1 352 . 19 1 1 A 36 36 THR H H 36 7.775 7.805 -0.030 1
1 353 . 19 1 1 A 36 36 THR CA C 36 62.596 65.350 -2.754 1
1 354 . 19 1 1 A 36 36 THR HA H 36 4.358 3.990 0.368 1
1 355 . 19 1 1 A 36 36 THR CB C 36 69.874 67.988 1.886 1
1 361 . 19 1 1 A 36 36 THR C C 36 175.265 176.141 -0.876 1
1 362 . 19 1 1 A 37 37 GLY N N 37 110.969 109.144 1.825 1
1 363 . 19 1 1 A 37 37 GLY H H 37 8.409 8.141 0.268 1
1 364 . 19 1 1 A 37 37 GLY CA C 37 45.427 46.214 -0.787 1
1 365 . 19 1 1 A 37 37 GLY HA2 H 37 4.036 3.846 0.190 1
1 366 . 19 1 1 A 37 37 GLY HA3 H 37 3.983 3.848 0.135 1
1 367 . 19 1 1 A 37 37 GLY C C 37 173.997 173.808 0.189 1
1 368 . 19 1 1 A 38 38 GLU N N 38 120.635 119.225 1.410 1
1 369 . 19 1 1 A 38 38 GLU H H 38 8.171 7.389 0.782 1
1 370 . 19 1 1 A 38 38 GLU CA C 38 56.637 55.044 1.593 1
1 371 . 19 1 1 A 38 38 GLU HA H 38 4.253 4.754 -0.501 1
1 372 . 19 1 1 A 38 38 GLU CB C 38 30.415 31.761 -1.346 1
1 378 . 19 1 1 A 38 38 GLU C C 38 176.470 176.202 0.268 1
1 379 . 19 1 1 A 39 39 ARG N N 39 121.782 119.569 2.213 1
1 380 . 19 1 1 A 39 39 ARG H H 39 8.351 8.606 -0.255 1
1 381 . 19 1 1 A 39 39 ARG CA C 39 56.036 57.167 -1.131 1
1 382 . 19 1 1 A 39 39 ARG HA H 39 4.315 4.578 -0.263 1
1 383 . 19 1 1 A 39 39 ARG CB C 39 30.779 32.405 -1.626 1
1 392 . 19 1 1 A 39 39 ARG C C 39 176.053 175.915 0.138 1
1 397 . 19 1 1 A 42 42 GLY CA C 42 44.643 45.438 -0.795 1
1 398 . 19 1 1 A 42 42 GLY HA2 H 42 4.150 4.402 -0.252 1
1 399 . 19 1 1 A 42 42 GLY HA3 H 42 4.150 4.449 -0.299 1
1 400 . 19 1 1 A 43 43 PRO CA C 43 63.307 62.766 0.541 1
1 401 . 19 1 1 A 43 43 PRO HA H 43 4.501 4.731 -0.230 1
1 402 . 19 1 1 A 43 43 PRO CB C 43 32.245 31.565 0.680 1
1 411 . 19 1 1 A 43 43 PRO C C 43 174.518 176.293 -1.775 1
1 412 . 19 1 1 A 44 44 SER N N 44 116.564 114.428 2.136 1
1 413 . 19 1 1 A 44 44 SER H H 44 8.531 8.196 0.335 1
1 414 . 19 1 1 A 44 44 SER CA C 44 58.000 57.340 0.660 1
1 1 . 20 1 1 A 7 7 GLY CA C 7 45.443 46.090 -0.647 1
1 2 . 20 1 1 A 7 7 GLY HA2 H 7 4.001 4.036 -0.035 1
1 3 . 20 1 1 A 7 7 GLY HA3 H 7 4.001 4.037 -0.036 1
1 4 . 20 1 1 A 7 7 GLY C C 7 174.517 175.003 -0.486 1
1 5 . 20 1 1 A 8 8 THR N N 8 112.810 113.237 -0.427 1
1 6 . 20 1 1 A 8 8 THR H H 8 8.114 8.380 -0.266 1
1 7 . 20 1 1 A 8 8 THR CA C 8 61.946 63.949 -2.003 1
1 8 . 20 1 1 A 8 8 THR HA H 8 4.359 4.167 0.192 1
1 9 . 20 1 1 A 8 8 THR CB C 8 69.788 69.245 0.543 1
1 15 . 20 1 1 A 8 8 THR C C 8 175.261 174.837 0.424 1
1 16 . 20 1 1 A 9 9 GLY CA C 9 45.194 45.769 -0.575 1
1 17 . 20 1 1 A 9 9 GLY HA2 H 9 3.934 3.956 -0.022 1
1 18 . 20 1 1 A 9 9 GLY HA3 H 9 3.934 3.958 -0.024 1
1 19 . 20 1 1 A 10 10 GLU N N 10 120.417 121.586 -1.169 1
1 20 . 20 1 1 A 10 10 GLU H H 10 8.163 8.507 -0.344 1
1 21 . 20 1 1 A 10 10 GLU CA C 10 56.630 54.603 2.027 1
1 22 . 20 1 1 A 10 10 GLU HA H 10 4.157 4.736 -0.579 1
1 23 . 20 1 1 A 10 10 GLU CB C 10 30.424 33.002 -2.578 1
1 28 . 20 1 1 A 10 10 GLU C C 10 176.283 176.084 0.199 1
1 29 . 20 1 1 A 11 11 LYS N N 11 122.818 120.758 2.060 1
1 30 . 20 1 1 A 11 11 LYS H H 11 8.319 8.532 -0.213 1
1 31 . 20 1 1 A 11 11 LYS CA C 11 54.069 54.855 -0.786 1
1 32 . 20 1 1 A 11 11 LYS HA H 11 4.416 4.275 0.141 1
1 33 . 20 1 1 A 11 11 LYS CB C 11 32.659 31.803 0.856 1
1 45 . 20 1 1 A 11 11 LYS C C 11 174.368 176.412 -2.044 1
1 46 . 20 1 1 A 12 12 PRO CA C 12 63.821 63.821 0.000 1
1 47 . 20 1 1 A 12 12 PRO HA H 12 4.190 4.273 -0.083 1
1 48 . 20 1 1 A 12 12 PRO CB C 12 32.246 31.105 1.141 1
1 57 . 20 1 1 A 12 12 PRO C C 12 176.504 175.306 1.198 1
1 58 . 20 1 1 A 13 13 TYR N N 13 117.532 118.929 -1.397 1
1 59 . 20 1 1 A 13 13 TYR H H 13 7.808 7.336 0.472 1
1 60 . 20 1 1 A 13 13 TYR CA C 13 57.460 56.809 0.651 1
1 61 . 20 1 1 A 13 13 TYR HA H 13 4.723 5.366 -0.643 1
1 62 . 20 1 1 A 13 13 TYR CB C 13 38.681 41.997 -3.316 1
1 73 . 20 1 1 A 13 13 TYR C C 13 174.392 174.673 -0.281 1
1 74 . 20 1 1 A 14 14 LYS N N 14 125.155 122.118 3.037 1
1 75 . 20 1 1 A 14 14 LYS H H 14 8.658 8.834 -0.176 1
1 76 . 20 1 1 A 14 14 LYS CA C 14 55.182 55.404 -0.222 1
1 77 . 20 1 1 A 14 14 LYS HA H 14 4.897 5.073 -0.176 1
1 78 . 20 1 1 A 14 14 LYS CB C 14 35.362 36.210 -0.848 1
1 90 . 20 1 1 A 14 14 LYS C C 14 175.434 175.156 0.278 1
1 91 . 20 1 1 A 15 15 CYS N N 15 127.487 125.402 2.085 1
1 92 . 20 1 1 A 15 15 CYS H H 15 9.257 8.867 0.390 1
1 93 . 20 1 1 A 15 15 CYS CA C 15 59.645 59.995 -0.350 1
1 94 . 20 1 1 A 15 15 CYS HA H 15 4.552 4.520 0.032 1
1 95 . 20 1 1 A 15 15 CYS CB C 15 29.714 28.468 1.246 1
1 98 . 20 1 1 A 15 15 CYS C C 15 177.361 175.640 1.721 1
1 99 . 20 1 1 A 16 16 SER CA C 16 61.056 58.016 3.040 1
1 100 . 20 1 1 A 16 16 SER HA H 16 4.265 4.771 -0.506 1
1 101 . 20 1 1 A 16 16 SER CB C 16 63.129 62.656 0.473 1
1 104 . 20 1 1 A 16 16 SER C C 16 174.425 174.349 0.076 1
1 105 . 20 1 1 A 17 17 ASP N N 17 122.836 120.869 1.967 1
1 106 . 20 1 1 A 17 17 ASP H H 17 8.675 8.208 0.467 1
1 107 . 20 1 1 A 17 17 ASP CA C 17 56.882 55.341 1.541 1
1 108 . 20 1 1 A 17 17 ASP HA H 17 4.573 4.840 -0.267 1
1 109 . 20 1 1 A 17 17 ASP CB C 17 41.393 43.423 -2.030 1
1 112 . 20 1 1 A 17 17 ASP C C 17 176.693 177.302 -0.609 1
1 113 . 20 1 1 A 18 18 CYS N N 18 114.845 114.509 0.336 1
1 114 . 20 1 1 A 18 18 CYS H H 18 7.871 8.130 -0.259 1
1 115 . 20 1 1 A 18 18 CYS CA C 18 58.669 59.449 -0.780 1
1 116 . 20 1 1 A 18 18 CYS HA H 18 5.149 4.706 0.443 1
1 117 . 20 1 1 A 18 18 CYS CB C 18 32.360 30.167 2.193 1
1 120 . 20 1 1 A 18 18 CYS C C 18 176.087 175.585 0.502 1
1 121 . 20 1 1 A 19 19 GLY N N 19 112.703 109.889 2.814 1
1 122 . 20 1 1 A 19 19 GLY H H 19 8.234 8.267 -0.033 1
1 123 . 20 1 1 A 19 19 GLY CA C 19 46.239 45.755 0.484 1
1 124 . 20 1 1 A 19 19 GLY HA2 H 19 3.805 4.087 -0.282 1
1 125 . 20 1 1 A 19 19 GLY HA3 H 19 4.261 4.099 0.162 1
1 126 . 20 1 1 A 19 19 GLY C C 19 173.775 174.027 -0.252 1
1 127 . 20 1 1 A 20 20 LYS N N 20 123.389 119.451 3.938 1
1 128 . 20 1 1 A 20 20 LYS H H 20 8.104 7.920 0.184 1
1 129 . 20 1 1 A 20 20 LYS CA C 20 58.247 54.360 3.887 1
1 130 . 20 1 1 A 20 20 LYS HA H 20 4.062 4.820 -0.758 1
1 131 . 20 1 1 A 20 20 LYS CB C 20 33.784 35.579 -1.795 1
1 143 . 20 1 1 A 20 20 LYS C C 20 174.521 175.486 -0.965 1
1 144 . 20 1 1 A 21 21 SER N N 21 115.758 116.857 -1.099 1
1 145 . 20 1 1 A 21 21 SER H H 21 7.892 8.405 -0.513 1
1 146 . 20 1 1 A 21 21 SER CA C 21 57.156 57.359 -0.203 1
1 147 . 20 1 1 A 21 21 SER HA H 21 5.346 5.371 -0.025 1
1 148 . 20 1 1 A 21 21 SER CB C 21 65.985 65.460 0.525 1
1 151 . 20 1 1 A 21 21 SER C C 21 172.978 172.916 0.062 1
1 152 . 20 1 1 A 22 22 PHE N N 22 117.880 123.497 -5.617 1
1 153 . 20 1 1 A 22 22 PHE H H 22 8.858 8.965 -0.107 1
1 154 . 20 1 1 A 22 22 PHE CA C 22 57.670 56.686 0.984 1
1 155 . 20 1 1 A 22 22 PHE HA H 22 4.809 5.066 -0.257 1
1 156 . 20 1 1 A 22 22 PHE CB C 22 43.763 43.669 0.094 1
1 169 . 20 1 1 A 22 22 PHE C C 22 175.046 175.824 -0.778 1
1 170 . 20 1 1 A 23 23 THR N N 23 119.545 114.365 5.180 1
1 171 . 20 1 1 A 23 23 THR H H 23 9.181 7.832 1.349 1
1 172 . 20 1 1 A 23 23 THR CA C 23 65.464 61.929 3.535 1
1 173 . 20 1 1 A 23 23 THR HA H 23 4.093 4.455 -0.362 1
1 174 . 20 1 1 A 23 23 THR CB C 23 69.486 68.302 1.184 1
1 180 . 20 1 1 A 23 23 THR C C 23 173.355 173.358 -0.003 1
1 181 . 20 1 1 A 24 24 TRP N N 24 117.211 122.409 -5.198 1
1 182 . 20 1 1 A 24 24 TRP H H 24 7.379 7.866 -0.487 1
1 183 . 20 1 1 A 24 24 TRP CA C 24 55.014 55.393 -0.379 1
1 184 . 20 1 1 A 24 24 TRP HA H 24 5.262 5.225 0.037 1
1 185 . 20 1 1 A 24 24 TRP CB C 24 32.074 32.667 -0.593 1
1 200 . 20 1 1 A 24 24 TRP C C 24 176.715 176.112 0.603 1
1 201 . 20 1 1 A 25 25 LYS N N 25 128.489 124.655 3.834 1
1 202 . 20 1 1 A 25 25 LYS H H 25 8.898 9.096 -0.198 1
1 203 . 20 1 1 A 25 25 LYS CA C 25 59.794 59.650 0.144 1
1 204 . 20 1 1 A 25 25 LYS HA H 25 3.170 3.495 -0.325 1
1 205 . 20 1 1 A 25 25 LYS CB C 25 31.754 32.454 -0.700 1
1 217 . 20 1 1 A 25 25 LYS C C 25 178.478 178.838 -0.360 1
1 218 . 20 1 1 A 26 26 SER CA C 26 60.740 61.388 -0.648 1
1 219 . 20 1 1 A 26 26 SER HA H 26 4.015 4.117 -0.102 1
1 220 . 20 1 1 A 26 26 SER CB C 26 61.524 62.950 -1.426 1
1 223 . 20 1 1 A 26 26 SER C C 26 176.918 177.374 -0.456 1
1 224 . 20 1 1 A 27 27 ARG N N 27 120.638 121.184 -0.546 1
1 225 . 20 1 1 A 27 27 ARG H H 27 6.893 7.965 -1.072 1
1 226 . 20 1 1 A 27 27 ARG CA C 27 57.881 59.048 -1.167 1
1 227 . 20 1 1 A 27 27 ARG HA H 27 4.093 3.983 0.110 1
1 228 . 20 1 1 A 27 27 ARG CB C 27 29.682 29.801 -0.119 1
1 237 . 20 1 1 A 27 27 ARG C C 27 178.625 178.686 -0.061 1
1 238 . 20 1 1 A 28 28 LEU N N 28 122.539 121.655 0.884 1
1 239 . 20 1 1 A 28 28 LEU H H 28 7.143 7.466 -0.323 1
1 240 . 20 1 1 A 28 28 LEU CA C 28 57.892 57.414 0.478 1
1 241 . 20 1 1 A 28 28 LEU HA H 28 3.096 3.089 0.007 1
1 242 . 20 1 1 A 28 28 LEU CB C 28 40.043 41.076 -1.033 1
1 255 . 20 1 1 A 28 28 LEU C C 28 177.418 178.446 -1.028 1
1 256 . 20 1 1 A 29 29 ARG N N 29 117.943 118.447 -0.504 1
1 257 . 20 1 1 A 29 29 ARG H H 29 8.015 8.016 -0.001 1
1 258 . 20 1 1 A 29 29 ARG CA C 29 59.184 59.498 -0.314 1
1 259 . 20 1 1 A 29 29 ARG HA H 29 4.125 3.882 0.243 1
1 260 . 20 1 1 A 29 29 ARG CB C 29 29.612 29.986 -0.374 1
1 269 . 20 1 1 A 29 29 ARG C C 29 179.325 178.779 0.546 1
1 270 . 20 1 1 A 30 30 ILE N N 30 118.338 120.407 -2.069 1
1 271 . 20 1 1 A 30 30 ILE H H 30 7.320 7.643 -0.323 1
1 272 . 20 1 1 A 30 30 ILE CA C 30 64.473 65.215 -0.742 1
1 273 . 20 1 1 A 30 30 ILE HA H 30 3.688 3.724 -0.036 1
1 274 . 20 1 1 A 30 30 ILE CB C 30 38.505 37.852 0.653 1
1 287 . 20 1 1 A 30 30 ILE C C 30 178.655 178.584 0.071 1
1 288 . 20 1 1 A 31 31 HIS N N 31 120.313 119.729 0.584 1
1 289 . 20 1 1 A 31 31 HIS H H 31 7.695 7.748 -0.053 1
1 290 . 20 1 1 A 31 31 HIS CA C 31 59.398 59.669 -0.271 1
1 291 . 20 1 1 A 31 31 HIS HA H 31 4.270 4.089 0.181 1
1 292 . 20 1 1 A 31 31 HIS CB C 31 28.465 29.822 -1.357 1
1 299 . 20 1 1 A 31 31 HIS C C 31 177.067 176.781 0.286 1
1 300 . 20 1 1 A 32 32 GLN N N 32 116.561 117.336 -0.775 1
1 301 . 20 1 1 A 32 32 GLN H H 32 8.559 8.259 0.300 1
1 302 . 20 1 1 A 32 32 GLN CA C 32 59.534 58.944 0.590 1
1 303 . 20 1 1 A 32 32 GLN HA H 32 3.729 3.943 -0.214 1
1 304 . 20 1 1 A 32 32 GLN CB C 32 28.512 28.413 0.099 1
1 313 . 20 1 1 A 32 32 GLN C C 32 177.525 178.880 -1.355 1
1 314 . 20 1 1 A 33 33 LYS N N 33 118.421 119.661 -1.240 1
1 315 . 20 1 1 A 33 33 LYS H H 33 7.242 7.868 -0.626 1
1 316 . 20 1 1 A 33 33 LYS CA C 33 58.469 59.210 -0.741 1
1 317 . 20 1 1 A 33 33 LYS HA H 33 4.133 4.022 0.111 1
1 318 . 20 1 1 A 33 33 LYS CB C 33 32.009 32.293 -0.284 1
1 330 . 20 1 1 A 33 33 LYS C C 33 178.287 179.362 -1.075 1
1 331 . 20 1 1 A 34 34 CYS N N 34 115.499 118.601 -3.102 1
1 332 . 20 1 1 A 34 34 CYS H H 34 7.930 7.871 0.059 1
1 333 . 20 1 1 A 34 34 CYS CA C 34 60.410 63.107 -2.697 1
1 334 . 20 1 1 A 34 34 CYS HA H 34 4.349 4.051 0.298 1
1 335 . 20 1 1 A 34 34 CYS CB C 34 26.603 26.372 0.231 1
1 338 . 20 1 1 A 34 34 CYS C C 34 175.397 177.642 -2.245 1
1 339 . 20 1 1 A 35 35 HIS N N 35 119.063 118.774 0.289 1
1 340 . 20 1 1 A 35 35 HIS H H 35 7.391 7.615 -0.224 1
1 341 . 20 1 1 A 35 35 HIS CA C 35 55.026 58.842 -3.816 1
1 342 . 20 1 1 A 35 35 HIS HA H 35 4.926 4.213 0.713 1
1 343 . 20 1 1 A 35 35 HIS CB C 35 28.797 29.946 -1.149 1
1 350 . 20 1 1 A 35 35 HIS C C 35 175.409 176.120 -0.711 1
1 351 . 20 1 1 A 36 36 THR N N 36 112.789 108.236 4.553 1
1 352 . 20 1 1 A 36 36 THR H H 36 7.775 7.691 0.084 1
1 353 . 20 1 1 A 36 36 THR CA C 36 62.596 61.845 0.751 1
1 354 . 20 1 1 A 36 36 THR HA H 36 4.358 4.347 0.011 1
1 355 . 20 1 1 A 36 36 THR CB C 36 69.874 68.555 1.319 1
1 361 . 20 1 1 A 36 36 THR C C 36 175.265 174.849 0.416 1
1 362 . 20 1 1 A 37 37 GLY N N 37 110.969 110.919 0.050 1
1 363 . 20 1 1 A 37 37 GLY H H 37 8.409 7.812 0.597 1
1 364 . 20 1 1 A 37 37 GLY CA C 37 45.427 45.967 -0.540 1
1 365 . 20 1 1 A 37 37 GLY HA2 H 37 4.036 4.190 -0.154 1
1 366 . 20 1 1 A 37 37 GLY HA3 H 37 3.983 4.192 -0.209 1
1 367 . 20 1 1 A 37 37 GLY C C 37 173.997 171.326 2.671 1
1 368 . 20 1 1 A 38 38 GLU N N 38 120.635 120.834 -0.199 1
1 369 . 20 1 1 A 38 38 GLU H H 38 8.171 8.542 -0.371 1
1 370 . 20 1 1 A 38 38 GLU CA C 38 56.637 55.213 1.424 1
1 371 . 20 1 1 A 38 38 GLU HA H 38 4.253 5.152 -0.899 1
1 372 . 20 1 1 A 38 38 GLU CB C 38 30.415 33.072 -2.657 1
1 378 . 20 1 1 A 38 38 GLU C C 38 176.470 175.096 1.374 1
1 379 . 20 1 1 A 39 39 ARG N N 39 121.782 126.248 -4.466 1
1 380 . 20 1 1 A 39 39 ARG H H 39 8.351 8.902 -0.551 1
1 381 . 20 1 1 A 39 39 ARG CA C 39 56.036 54.409 1.627 1
1 382 . 20 1 1 A 39 39 ARG HA H 39 4.315 5.144 -0.829 1
1 383 . 20 1 1 A 39 39 ARG CB C 39 30.779 34.265 -3.486 1
1 392 . 20 1 1 A 39 39 ARG C C 39 176.053 174.126 1.927 1
1 397 . 20 1 1 A 42 42 GLY CA C 42 44.643 45.804 -1.161 1
1 398 . 20 1 1 A 42 42 GLY HA2 H 42 4.150 4.531 -0.381 1
1 399 . 20 1 1 A 42 42 GLY HA3 H 42 4.150 4.553 -0.403 1
1 400 . 20 1 1 A 43 43 PRO CA C 43 63.307 62.740 0.567 1
1 401 . 20 1 1 A 43 43 PRO HA H 43 4.501 4.655 -0.154 1
1 402 . 20 1 1 A 43 43 PRO CB C 43 32.245 31.598 0.647 1
1 411 . 20 1 1 A 43 43 PRO C C 43 174.518 175.299 -0.781 1
1 412 . 20 1 1 A 44 44 SER N N 44 116.564 119.722 -3.158 1
1 413 . 20 1 1 A 44 44 SER H H 44 8.531 8.836 -0.305 1
1 414 . 20 1 1 A 44 44 SER CA C 44 58.000 56.751 1.249 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 33 1.100 1
2 1 1 1 "RMS(OBS, PRED)" CA 36 1.388 1
3 1 1 1 "RMS(OBS, PRED)" CB 30 1.371 1
4 1 1 1 "RMS(OBS, PRED)" H 29 0.432 1
5 1 1 1 "RMS(OBS, PRED)" HA 40 0.292 1
6 1 1 1 "RMS(OBS, PRED)" N 29 2.946 1
7 1 2 1 "RMS(OBS, PRED)" C 33 1.068 1
8 1 2 1 "RMS(OBS, PRED)" CA 36 1.326 1
9 1 2 1 "RMS(OBS, PRED)" CB 30 1.555 1
10 1 2 1 "RMS(OBS, PRED)" H 29 0.473 1
11 1 2 1 "RMS(OBS, PRED)" HA 40 0.345 1
12 1 2 1 "RMS(OBS, PRED)" N 29 2.671 1
13 1 3 1 "RMS(OBS, PRED)" C 33 0.930 1
14 1 3 1 "RMS(OBS, PRED)" CA 36 1.014 1
15 1 3 1 "RMS(OBS, PRED)" CB 30 1.536 1
16 1 3 1 "RMS(OBS, PRED)" H 29 0.511 1
17 1 3 1 "RMS(OBS, PRED)" HA 40 0.319 1
18 1 3 1 "RMS(OBS, PRED)" N 29 2.449 1
19 1 4 1 "RMS(OBS, PRED)" C 33 1.109 1
20 1 4 1 "RMS(OBS, PRED)" CA 36 1.412 1
21 1 4 1 "RMS(OBS, PRED)" CB 30 1.359 1
22 1 4 1 "RMS(OBS, PRED)" H 29 0.402 1
23 1 4 1 "RMS(OBS, PRED)" HA 40 0.278 1
24 1 4 1 "RMS(OBS, PRED)" N 29 2.614 1
25 1 5 1 "RMS(OBS, PRED)" C 33 0.998 1
26 1 5 1 "RMS(OBS, PRED)" CA 36 1.257 1
27 1 5 1 "RMS(OBS, PRED)" CB 30 1.218 1
28 1 5 1 "RMS(OBS, PRED)" H 29 0.506 1
29 1 5 1 "RMS(OBS, PRED)" HA 40 0.308 1
30 1 5 1 "RMS(OBS, PRED)" N 29 2.794 1
31 1 6 1 "RMS(OBS, PRED)" C 33 0.980 1
32 1 6 1 "RMS(OBS, PRED)" CA 36 1.325 1
33 1 6 1 "RMS(OBS, PRED)" CB 30 1.153 1
34 1 6 1 "RMS(OBS, PRED)" H 29 0.517 1
35 1 6 1 "RMS(OBS, PRED)" HA 40 0.265 1
36 1 6 1 "RMS(OBS, PRED)" N 29 2.561 1
37 1 7 1 "RMS(OBS, PRED)" C 33 0.888 1
38 1 7 1 "RMS(OBS, PRED)" CA 36 1.197 1
39 1 7 1 "RMS(OBS, PRED)" CB 30 1.461 1
40 1 7 1 "RMS(OBS, PRED)" H 29 0.425 1
41 1 7 1 "RMS(OBS, PRED)" HA 40 0.292 1
42 1 7 1 "RMS(OBS, PRED)" N 29 2.477 1
43 1 8 1 "RMS(OBS, PRED)" C 33 1.007 1
44 1 8 1 "RMS(OBS, PRED)" CA 36 1.247 1
45 1 8 1 "RMS(OBS, PRED)" CB 30 1.524 1
46 1 8 1 "RMS(OBS, PRED)" H 29 0.561 1
47 1 8 1 "RMS(OBS, PRED)" HA 40 0.286 1
48 1 8 1 "RMS(OBS, PRED)" N 29 2.773 1
49 1 9 1 "RMS(OBS, PRED)" C 33 1.045 1
50 1 9 1 "RMS(OBS, PRED)" CA 36 1.472 1
51 1 9 1 "RMS(OBS, PRED)" CB 30 1.375 1
52 1 9 1 "RMS(OBS, PRED)" H 29 0.505 1
53 1 9 1 "RMS(OBS, PRED)" HA 40 0.324 1
54 1 9 1 "RMS(OBS, PRED)" N 29 2.312 1
55 1 10 1 "RMS(OBS, PRED)" C 33 1.034 1
56 1 10 1 "RMS(OBS, PRED)" CA 36 1.335 1
57 1 10 1 "RMS(OBS, PRED)" CB 30 1.188 1
58 1 10 1 "RMS(OBS, PRED)" H 29 0.520 1
59 1 10 1 "RMS(OBS, PRED)" HA 40 0.258 1
60 1 10 1 "RMS(OBS, PRED)" N 29 2.247 1
61 1 11 1 "RMS(OBS, PRED)" C 33 0.870 1
62 1 11 1 "RMS(OBS, PRED)" CA 36 1.276 1
63 1 11 1 "RMS(OBS, PRED)" CB 30 1.407 1
64 1 11 1 "RMS(OBS, PRED)" H 29 0.527 1
65 1 11 1 "RMS(OBS, PRED)" HA 40 0.248 1
66 1 11 1 "RMS(OBS, PRED)" N 29 2.068 1
67 1 12 1 "RMS(OBS, PRED)" C 33 0.855 1
68 1 12 1 "RMS(OBS, PRED)" CA 36 1.104 1
69 1 12 1 "RMS(OBS, PRED)" CB 30 1.185 1
70 1 12 1 "RMS(OBS, PRED)" H 29 0.480 1
71 1 12 1 "RMS(OBS, PRED)" HA 40 0.288 1
72 1 12 1 "RMS(OBS, PRED)" N 29 2.074 1
73 1 13 1 "RMS(OBS, PRED)" C 33 1.031 1
74 1 13 1 "RMS(OBS, PRED)" CA 36 1.413 1
75 1 13 1 "RMS(OBS, PRED)" CB 30 1.425 1
76 1 13 1 "RMS(OBS, PRED)" H 29 0.566 1
77 1 13 1 "RMS(OBS, PRED)" HA 40 0.297 1
78 1 13 1 "RMS(OBS, PRED)" N 29 2.841 1
79 1 14 1 "RMS(OBS, PRED)" C 33 1.115 1
80 1 14 1 "RMS(OBS, PRED)" CA 36 1.401 1
81 1 14 1 "RMS(OBS, PRED)" CB 30 1.251 1
82 1 14 1 "RMS(OBS, PRED)" H 29 0.516 1
83 1 14 1 "RMS(OBS, PRED)" HA 40 0.291 1
84 1 14 1 "RMS(OBS, PRED)" N 29 2.709 1
85 1 15 1 "RMS(OBS, PRED)" C 33 0.912 1
86 1 15 1 "RMS(OBS, PRED)" CA 36 1.257 1
87 1 15 1 "RMS(OBS, PRED)" CB 30 1.530 1
88 1 15 1 "RMS(OBS, PRED)" H 29 0.464 1
89 1 15 1 "RMS(OBS, PRED)" HA 40 0.298 1
90 1 15 1 "RMS(OBS, PRED)" N 29 2.889 1
91 1 16 1 "RMS(OBS, PRED)" C 33 1.209 1
92 1 16 1 "RMS(OBS, PRED)" CA 36 1.313 1
93 1 16 1 "RMS(OBS, PRED)" CB 30 1.339 1
94 1 16 1 "RMS(OBS, PRED)" H 29 0.487 1
95 1 16 1 "RMS(OBS, PRED)" HA 40 0.313 1
96 1 16 1 "RMS(OBS, PRED)" N 29 2.994 1
97 1 17 1 "RMS(OBS, PRED)" C 33 1.049 1
98 1 17 1 "RMS(OBS, PRED)" CA 36 1.468 1
99 1 17 1 "RMS(OBS, PRED)" CB 30 1.517 1
100 1 17 1 "RMS(OBS, PRED)" H 29 0.556 1
101 1 17 1 "RMS(OBS, PRED)" HA 40 0.277 1
102 1 17 1 "RMS(OBS, PRED)" N 29 3.076 1
103 1 18 1 "RMS(OBS, PRED)" C 33 0.928 1
104 1 18 1 "RMS(OBS, PRED)" CA 36 1.365 1
105 1 18 1 "RMS(OBS, PRED)" CB 30 1.270 1
106 1 18 1 "RMS(OBS, PRED)" H 29 0.514 1
107 1 18 1 "RMS(OBS, PRED)" HA 40 0.314 1
108 1 18 1 "RMS(OBS, PRED)" N 29 2.762 1
109 1 19 1 "RMS(OBS, PRED)" C 33 1.117 1
110 1 19 1 "RMS(OBS, PRED)" CA 36 1.481 1
111 1 19 1 "RMS(OBS, PRED)" CB 30 1.331 1
112 1 19 1 "RMS(OBS, PRED)" H 29 0.543 1
113 1 19 1 "RMS(OBS, PRED)" HA 40 0.309 1
114 1 19 1 "RMS(OBS, PRED)" N 29 2.310 1
115 1 20 1 "RMS(OBS, PRED)" C 33 1.055 1
116 1 20 1 "RMS(OBS, PRED)" CA 36 1.563 1
117 1 20 1 "RMS(OBS, PRED)" CB 30 1.503 1
118 1 20 1 "RMS(OBS, PRED)" H 29 0.468 1
119 1 20 1 "RMS(OBS, PRED)" HA 40 0.359 1
120 1 20 1 "RMS(OBS, PRED)" N 29 2.794 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 7 7 GLY CA C 7 45.443 45.430 0.013 2
1 2 . 1 1 A 7 7 GLY HA2 H 7 4.001 4.083 -0.082 2
1 3 . 1 1 A 7 7 GLY HA3 H 7 4.001 4.086 -0.085 2
1 4 . 1 1 A 7 7 GLY C C 7 174.517 174.102 0.415 2
1 5 . 1 1 A 8 8 THR N N 8 112.810 115.035 -2.225 2
1 6 . 1 1 A 8 8 THR H H 8 8.114 8.315 -0.201 2
1 7 . 1 1 A 8 8 THR CA C 8 61.946 62.693 -0.747 2
1 8 . 1 1 A 8 8 THR HA H 8 4.359 4.352 0.007 2
1 9 . 1 1 A 8 8 THR CB C 8 69.788 68.913 0.875 2
1 15 . 1 1 A 8 8 THR C C 8 175.261 174.547 0.714 2
1 16 . 1 1 A 9 9 GLY CA C 9 45.194 45.733 -0.539 2
1 17 . 1 1 A 9 9 GLY HA2 H 9 3.934 4.023 -0.089 2
1 18 . 1 1 A 9 9 GLY HA3 H 9 3.934 4.027 -0.093 2
1 19 . 1 1 A 10 10 GLU N N 10 120.417 122.102 -1.685 2
1 20 . 1 1 A 10 10 GLU H H 10 8.163 8.557 -0.394 2
1 21 . 1 1 A 10 10 GLU CA C 10 56.630 56.331 0.299 2
1 22 . 1 1 A 10 10 GLU HA H 10 4.157 4.458 -0.301 2
1 23 . 1 1 A 10 10 GLU CB C 10 30.424 30.149 0.275 2
1 28 . 1 1 A 10 10 GLU C C 10 176.283 175.704 0.579 2
1 29 . 1 1 A 11 11 LYS N N 11 122.818 122.584 0.234 2
1 30 . 1 1 A 11 11 LYS H H 11 8.319 8.140 0.179 2
1 31 . 1 1 A 11 11 LYS CA C 11 54.069 53.680 0.389 2
1 32 . 1 1 A 11 11 LYS HA H 11 4.416 4.624 -0.208 2
1 33 . 1 1 A 11 11 LYS CB C 11 32.659 33.226 -0.567 2
1 45 . 1 1 A 11 11 LYS C C 11 174.368 176.203 -1.835 2
1 46 . 1 1 A 12 12 PRO CA C 12 63.821 63.801 0.020 2
1 47 . 1 1 A 12 12 PRO HA H 12 4.190 4.288 -0.098 2
1 48 . 1 1 A 12 12 PRO CB C 12 32.246 31.171 1.075 2
1 57 . 1 1 A 12 12 PRO C C 12 176.504 175.458 1.046 2
1 58 . 1 1 A 13 13 TYR N N 13 117.532 118.894 -1.362 2
1 59 . 1 1 A 13 13 TYR H H 13 7.808 7.387 0.421 2
1 60 . 1 1 A 13 13 TYR CA C 13 57.460 56.544 0.916 2
1 61 . 1 1 A 13 13 TYR HA H 13 4.723 5.341 -0.618 2
1 62 . 1 1 A 13 13 TYR CB C 13 38.681 42.559 -3.878 2
1 73 . 1 1 A 13 13 TYR C C 13 174.392 174.489 -0.097 2
1 74 . 1 1 A 14 14 LYS N N 14 125.155 122.544 2.611 2
1 75 . 1 1 A 14 14 LYS H H 14 8.658 8.878 -0.220 2
1 76 . 1 1 A 14 14 LYS CA C 14 55.182 55.511 -0.329 2
1 77 . 1 1 A 14 14 LYS HA H 14 4.897 5.162 -0.265 2
1 78 . 1 1 A 14 14 LYS CB C 14 35.362 36.259 -0.897 2
1 90 . 1 1 A 14 14 LYS C C 14 175.434 174.880 0.554 2
1 91 . 1 1 A 15 15 CYS N N 15 127.487 125.405 2.082 2
1 92 . 1 1 A 15 15 CYS H H 15 9.257 9.289 -0.032 2
1 93 . 1 1 A 15 15 CYS CA C 15 59.645 59.752 -0.107 2
1 94 . 1 1 A 15 15 CYS HA H 15 4.552 4.527 0.025 2
1 95 . 1 1 A 15 15 CYS CB C 15 29.714 28.582 1.132 2
1 98 . 1 1 A 15 15 CYS C C 15 177.361 175.844 1.517 2
1 99 . 1 1 A 16 16 SER CA C 16 61.056 59.435 1.621 2
1 100 . 1 1 A 16 16 SER HA H 16 4.265 4.487 -0.222 2
1 101 . 1 1 A 16 16 SER CB C 16 63.129 63.198 -0.069 2
1 104 . 1 1 A 16 16 SER C C 16 174.425 175.432 -1.007 2
1 105 . 1 1 A 17 17 ASP N N 17 122.836 121.511 1.325 2
1 106 . 1 1 A 17 17 ASP H H 17 8.675 8.099 0.576 2
1 107 . 1 1 A 17 17 ASP CA C 17 56.882 56.535 0.347 2
1 108 . 1 1 A 17 17 ASP HA H 17 4.573 4.498 0.075 2
1 109 . 1 1 A 17 17 ASP CB C 17 41.393 41.602 -0.209 2
1 112 . 1 1 A 17 17 ASP C C 17 176.693 177.486 -0.793 2
1 113 . 1 1 A 18 18 CYS N N 18 114.845 114.383 0.462 2
1 114 . 1 1 A 18 18 CYS H H 18 7.871 7.830 0.042 2
1 115 . 1 1 A 18 18 CYS CA C 18 58.669 59.697 -1.028 2
1 116 . 1 1 A 18 18 CYS HA H 18 5.149 4.632 0.517 2
1 117 . 1 1 A 18 18 CYS CB C 18 32.360 29.879 2.481 2
1 120 . 1 1 A 18 18 CYS C C 18 176.087 175.391 0.696 2
1 121 . 1 1 A 19 19 GLY N N 19 112.703 109.989 2.714 2
1 122 . 1 1 A 19 19 GLY H H 19 8.234 8.115 0.119 2
1 123 . 1 1 A 19 19 GLY CA C 19 46.239 45.378 0.861 2
1 124 . 1 1 A 19 19 GLY HA2 H 19 3.805 4.093 -0.288 2
1 125 . 1 1 A 19 19 GLY HA3 H 19 4.261 4.110 0.151 2
1 126 . 1 1 A 19 19 GLY C C 19 173.775 174.278 -0.503 2
1 127 . 1 1 A 20 20 LYS N N 20 123.389 120.629 2.760 2
1 128 . 1 1 A 20 20 LYS H H 20 8.104 7.829 0.275 2
1 129 . 1 1 A 20 20 LYS CA C 20 58.247 54.921 3.326 2
1 130 . 1 1 A 20 20 LYS HA H 20 4.062 4.610 -0.548 2
1 131 . 1 1 A 20 20 LYS CB C 20 33.784 34.439 -0.655 2
1 143 . 1 1 A 20 20 LYS C C 20 174.521 175.371 -0.850 2
1 144 . 1 1 A 21 21 SER N N 21 115.758 117.350 -1.591 2
1 145 . 1 1 A 21 21 SER H H 21 7.892 8.523 -0.631 2
1 146 . 1 1 A 21 21 SER CA C 21 57.156 56.786 0.370 2
1 147 . 1 1 A 21 21 SER HA H 21 5.346 5.480 -0.134 2
1 148 . 1 1 A 21 21 SER CB C 21 65.985 65.572 0.413 2
1 151 . 1 1 A 21 21 SER C C 21 172.978 173.111 -0.133 2
1 152 . 1 1 A 22 22 PHE N N 22 117.880 121.586 -3.706 2
1 153 . 1 1 A 22 22 PHE H H 22 8.858 8.770 0.088 2
1 154 . 1 1 A 22 22 PHE CA C 22 57.670 56.732 0.938 2
1 155 . 1 1 A 22 22 PHE HA H 22 4.809 4.966 -0.157 2
1 156 . 1 1 A 22 22 PHE CB C 22 43.763 42.903 0.860 2
1 169 . 1 1 A 22 22 PHE C C 22 175.046 175.724 -0.678 2
1 170 . 1 1 A 23 23 THR N N 23 119.545 115.949 3.596 2
1 171 . 1 1 A 23 23 THR H H 23 9.181 8.716 0.465 2
1 172 . 1 1 A 23 23 THR CA C 23 65.464 64.175 1.289 2
1 173 . 1 1 A 23 23 THR HA H 23 4.093 4.437 -0.344 2
1 174 . 1 1 A 23 23 THR CB C 23 69.486 69.443 0.043 2
1 180 . 1 1 A 23 23 THR C C 23 173.355 174.717 -1.362 2
1 181 . 1 1 A 24 24 TRP N N 24 117.211 120.091 -2.880 2
1 182 . 1 1 A 24 24 TRP H H 24 7.379 8.057 -0.678 2
1 183 . 1 1 A 24 24 TRP CA C 24 55.014 56.460 -1.446 2
1 184 . 1 1 A 24 24 TRP HA H 24 5.262 5.040 0.222 2
1 185 . 1 1 A 24 24 TRP CB C 24 32.074 31.362 0.712 2
1 200 . 1 1 A 24 24 TRP C C 24 176.715 176.617 0.098 2
1 201 . 1 1 A 25 25 LYS N N 25 128.489 124.856 3.633 2
1 202 . 1 1 A 25 25 LYS H H 25 8.898 8.785 0.113 2
1 203 . 1 1 A 25 25 LYS CA C 25 59.794 59.307 0.487 2
1 204 . 1 1 A 25 25 LYS HA H 25 3.170 3.311 -0.141 2
1 205 . 1 1 A 25 25 LYS CB C 25 31.754 32.035 -0.281 2
1 217 . 1 1 A 25 25 LYS C C 25 178.478 178.235 0.243 2
1 218 . 1 1 A 26 26 SER CA C 26 60.740 61.667 -0.927 2
1 219 . 1 1 A 26 26 SER HA H 26 4.015 4.075 -0.060 2
1 220 . 1 1 A 26 26 SER CB C 26 61.524 62.917 -1.393 2
1 223 . 1 1 A 26 26 SER C C 26 176.918 177.019 -0.101 2
1 224 . 1 1 A 27 27 ARG N N 27 120.638 121.540 -0.902 2
1 225 . 1 1 A 27 27 ARG H H 27 6.893 8.034 -1.141 2
1 226 . 1 1 A 27 27 ARG CA C 27 57.881 59.147 -1.266 2
1 227 . 1 1 A 27 27 ARG HA H 27 4.093 4.043 0.050 2
1 228 . 1 1 A 27 27 ARG CB C 27 29.682 30.029 -0.347 2
1 237 . 1 1 A 27 27 ARG C C 27 178.625 178.669 -0.045 2
1 238 . 1 1 A 28 28 LEU N N 28 122.539 121.422 1.117 2
1 239 . 1 1 A 28 28 LEU H H 28 7.143 7.856 -0.713 2
1 240 . 1 1 A 28 28 LEU CA C 28 57.892 57.663 0.229 2
1 241 . 1 1 A 28 28 LEU HA H 28 3.096 3.125 -0.029 2
1 242 . 1 1 A 28 28 LEU CB C 28 40.043 41.234 -1.191 2
1 255 . 1 1 A 28 28 LEU C C 28 177.418 178.446 -1.028 2
1 256 . 1 1 A 29 29 ARG N N 29 117.943 118.055 -0.112 2
1 257 . 1 1 A 29 29 ARG H H 29 8.015 8.011 0.004 2
1 258 . 1 1 A 29 29 ARG CA C 29 59.184 59.603 -0.419 2
1 259 . 1 1 A 29 29 ARG HA H 29 4.125 3.918 0.207 2
1 260 . 1 1 A 29 29 ARG CB C 29 29.612 29.955 -0.343 2
1 269 . 1 1 A 29 29 ARG C C 29 179.325 178.842 0.483 2
1 270 . 1 1 A 30 30 ILE N N 30 118.338 120.254 -1.916 2
1 271 . 1 1 A 30 30 ILE H H 30 7.320 7.764 -0.444 2
1 272 . 1 1 A 30 30 ILE CA C 30 64.473 64.926 -0.453 2
1 273 . 1 1 A 30 30 ILE HA H 30 3.688 3.727 -0.039 2
1 274 . 1 1 A 30 30 ILE CB C 30 38.505 37.684 0.821 2
1 287 . 1 1 A 30 30 ILE C C 30 178.655 178.309 0.346 2
1 288 . 1 1 A 31 31 HIS N N 31 120.313 119.912 0.401 2
1 289 . 1 1 A 31 31 HIS H H 31 7.695 8.185 -0.490 2
1 290 . 1 1 A 31 31 HIS CA C 31 59.398 59.778 -0.380 2
1 291 . 1 1 A 31 31 HIS HA H 31 4.270 4.149 0.121 2
1 292 . 1 1 A 31 31 HIS CB C 31 28.465 29.853 -1.388 2
1 299 . 1 1 A 31 31 HIS C C 31 177.067 176.958 0.109 2
1 300 . 1 1 A 32 32 GLN N N 32 116.561 118.090 -1.529 2
1 301 . 1 1 A 32 32 GLN H H 32 8.559 8.295 0.264 2
1 302 . 1 1 A 32 32 GLN CA C 32 59.534 59.201 0.333 2
1 303 . 1 1 A 32 32 GLN HA H 32 3.729 3.907 -0.178 2
1 304 . 1 1 A 32 32 GLN CB C 32 28.512 28.358 0.154 2
1 313 . 1 1 A 32 32 GLN C C 32 177.525 178.560 -1.035 2
1 314 . 1 1 A 33 33 LYS N N 33 118.421 118.776 -0.355 2
1 315 . 1 1 A 33 33 LYS H H 33 7.242 7.865 -0.623 2
1 316 . 1 1 A 33 33 LYS CA C 33 58.469 59.171 -0.702 2
1 317 . 1 1 A 33 33 LYS HA H 33 4.133 4.039 0.094 2
1 318 . 1 1 A 33 33 LYS CB C 33 32.009 32.123 -0.114 2
1 330 . 1 1 A 33 33 LYS C C 33 178.287 178.612 -0.325 2
1 331 . 1 1 A 34 34 CYS N N 34 115.499 118.434 -2.935 2
1 332 . 1 1 A 34 34 CYS H H 34 7.930 7.826 0.104 2
1 333 . 1 1 A 34 34 CYS CA C 34 60.410 62.171 -1.761 2
1 334 . 1 1 A 34 34 CYS HA H 34 4.349 4.050 0.299 2
1 335 . 1 1 A 34 34 CYS CB C 34 26.603 26.837 -0.234 2
1 338 . 1 1 A 34 34 CYS C C 34 175.397 176.624 -1.227 2
1 339 . 1 1 A 35 35 HIS N N 35 119.063 118.848 0.215 2
1 340 . 1 1 A 35 35 HIS H H 35 7.391 7.603 -0.212 2
1 341 . 1 1 A 35 35 HIS CA C 35 55.026 57.141 -2.115 2
1 342 . 1 1 A 35 35 HIS HA H 35 4.926 4.419 0.507 2
1 343 . 1 1 A 35 35 HIS CB C 35 28.797 29.102 -0.305 2
1 350 . 1 1 A 35 35 HIS C C 35 175.409 175.522 -0.113 2
1 351 . 1 1 A 36 36 THR N N 36 112.789 111.701 1.088 2
1 352 . 1 1 A 36 36 THR H H 36 7.775 7.959 -0.184 2
1 353 . 1 1 A 36 36 THR CA C 36 62.596 61.820 0.776 2
1 354 . 1 1 A 36 36 THR HA H 36 4.358 4.411 -0.053 2
1 355 . 1 1 A 36 36 THR CB C 36 69.874 69.568 0.306 2
1 361 . 1 1 A 36 36 THR C C 36 175.265 174.676 0.589 2
1 362 . 1 1 A 37 37 GLY N N 37 110.969 112.315 -1.346 2
1 363 . 1 1 A 37 37 GLY H H 37 8.409 8.350 0.059 2
1 364 . 1 1 A 37 37 GLY CA C 37 45.427 45.471 -0.044 2
1 365 . 1 1 A 37 37 GLY HA2 H 37 4.036 4.075 -0.039 2
1 366 . 1 1 A 37 37 GLY HA3 H 37 3.983 4.081 -0.098 2
1 367 . 1 1 A 37 37 GLY C C 37 173.997 173.557 0.440 2
1 368 . 1 1 A 38 38 GLU N N 38 120.635 121.063 -0.428 2
1 369 . 1 1 A 38 38 GLU H H 38 8.171 8.228 -0.057 2
1 370 . 1 1 A 38 38 GLU CA C 38 56.637 55.912 0.725 2
1 371 . 1 1 A 38 38 GLU HA H 38 4.253 4.588 -0.335 2
1 372 . 1 1 A 38 38 GLU CB C 38 30.415 31.019 -0.604 2
1 378 . 1 1 A 38 38 GLU C C 38 176.470 175.490 0.980 2
1 379 . 1 1 A 39 39 ARG N N 39 121.782 123.407 -1.625 2
1 380 . 1 1 A 39 39 ARG H H 39 8.351 8.387 -0.036 2
1 381 . 1 1 A 39 39 ARG CA C 39 56.036 55.816 0.220 2
1 382 . 1 1 A 39 39 ARG HA H 39 4.315 4.574 -0.259 2
1 383 . 1 1 A 39 39 ARG CB C 39 30.779 31.860 -1.081 2
1 392 . 1 1 A 39 39 ARG C C 39 176.053 175.606 0.447 2
1 397 . 1 1 A 42 42 GLY CA C 42 44.643 45.278 -0.635 2
1 398 . 1 1 A 42 42 GLY HA2 H 42 4.150 4.164 -0.014 2
1 399 . 1 1 A 42 42 GLY HA3 H 42 4.150 4.177 -0.027 2
1 400 . 1 1 A 43 43 PRO CA C 43 63.307 63.342 -0.035 2
1 401 . 1 1 A 43 43 PRO HA H 43 4.501 4.559 -0.058 2
1 402 . 1 1 A 43 43 PRO CB C 43 32.245 31.849 0.396 2
1 411 . 1 1 A 43 43 PRO C C 43 174.518 176.450 -1.931 2
1 412 . 1 1 A 44 44 SER N N 44 116.564 115.733 0.831 2
1 413 . 1 1 A 44 44 SER H H 44 8.531 8.259 0.272 2
1 414 . 1 1 A 44 44 SER CA C 44 58.000 58.087 -0.087 2
stop_
save_