data_10233_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10233
_Entry.PDB_ID 2EN4
_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 HA2 H 7 3.998 3.931 0.067 1
1 2 . 1 1 1 A 7 7 GLY HA3 H 7 3.998 3.937 0.061 1
1 3 . 1 1 1 A 7 7 GLY C C 7 174.369 174.310 0.059 1
1 4 . 1 1 1 A 7 7 GLY CA C 7 45.413 46.622 -1.209 1
1 5 . 1 1 1 A 8 8 THR H H 8 8.058 7.641 0.417 1
1 6 . 1 1 1 A 8 8 THR HA H 8 4.332 4.507 -0.175 1
1 11 . 1 1 1 A 8 8 THR C C 8 174.812 172.939 1.873 1
1 12 . 1 1 1 A 8 8 THR CA C 8 61.812 60.688 1.124 1
1 13 . 1 1 1 A 8 8 THR CB C 8 69.909 69.798 0.111 1
1 15 . 1 1 1 A 8 8 THR N N 8 113.853 111.952 1.901 1
1 16 . 1 1 1 A 9 9 LYS H H 9 8.368 8.560 -0.192 1
1 17 . 1 1 1 A 9 9 LYS HA H 9 4.234 4.552 -0.318 1
1 26 . 1 1 1 A 9 9 LYS C C 9 176.726 175.531 1.195 1
1 27 . 1 1 1 A 9 9 LYS CA C 9 56.616 55.776 0.840 1
1 28 . 1 1 1 A 9 9 LYS CB C 9 32.666 32.425 0.241 1
1 32 . 1 1 1 A 9 9 LYS N N 9 122.996 123.919 -0.923 1
1 33 . 1 1 1 A 10 10 GLU H H 10 8.247 7.860 0.387 1
1 34 . 1 1 1 A 10 10 GLU HA H 10 4.120 4.688 -0.568 1
1 39 . 1 1 1 A 10 10 GLU C C 10 176.223 175.156 1.067 1
1 40 . 1 1 1 A 10 10 GLU CA C 10 57.320 54.829 2.491 1
1 41 . 1 1 1 A 10 10 GLU CB C 10 30.234 32.608 -2.374 1
1 43 . 1 1 1 A 10 10 GLU N N 10 120.550 118.063 2.487 1
1 44 . 1 1 1 A 11 11 LYS H H 11 8.016 8.859 -0.843 1
1 45 . 1 1 1 A 11 11 LYS HA H 11 4.517 3.848 0.669 1
1 54 . 1 1 1 A 11 11 LYS C C 11 173.757 176.734 -2.977 1
1 55 . 1 1 1 A 11 11 LYS CA C 11 53.783 56.877 -3.094 1
1 56 . 1 1 1 A 11 11 LYS CB C 11 33.260 30.348 2.912 1
1 60 . 1 1 1 A 11 11 LYS N N 11 119.846 118.770 1.076 1
1 61 . 1 1 1 A 12 12 PRO HA H 12 4.272 4.578 -0.306 1
1 68 . 1 1 1 A 12 12 PRO C C 12 176.667 176.232 0.435 1
1 69 . 1 1 1 A 12 12 PRO CA C 12 63.412 65.448 -2.036 1
1 70 . 1 1 1 A 12 12 PRO CB C 12 32.362 31.862 0.500 1
1 73 . 1 1 1 A 13 13 TYR H H 13 7.801 7.611 0.190 1
1 74 . 1 1 1 A 13 13 TYR HA H 13 4.578 4.643 -0.065 1
1 81 . 1 1 1 A 13 13 TYR C C 13 174.321 175.047 -0.726 1
1 82 . 1 1 1 A 13 13 TYR CA C 13 57.814 58.761 -0.947 1
1 83 . 1 1 1 A 13 13 TYR CB C 13 38.437 38.800 -0.363 1
1 88 . 1 1 1 A 13 13 TYR N N 13 118.297 118.142 0.155 1
1 89 . 1 1 1 A 14 14 LYS H H 14 8.450 8.969 -0.519 1
1 90 . 1 1 1 A 14 14 LYS HA H 14 4.734 5.385 -0.651 1
1 99 . 1 1 1 A 14 14 LYS C C 14 174.596 175.590 -0.994 1
1 100 . 1 1 1 A 14 14 LYS CA C 14 55.254 54.442 0.812 1
1 101 . 1 1 1 A 14 14 LYS CB C 14 35.279 35.747 -0.468 1
1 105 . 1 1 1 A 14 14 LYS N N 14 125.533 124.657 0.876 1
1 106 . 1 1 1 A 15 15 CYS H H 15 9.186 9.142 0.044 1
1 107 . 1 1 1 A 15 15 CYS HA H 15 4.563 4.390 0.173 1
1 110 . 1 1 1 A 15 15 CYS C C 15 176.896 175.760 1.136 1
1 111 . 1 1 1 A 15 15 CYS CA C 15 58.735 59.535 -0.800 1
1 112 . 1 1 1 A 15 15 CYS CB C 15 29.404 28.564 0.840 1
1 113 . 1 1 1 A 15 15 CYS N N 15 126.149 125.352 0.797 1
1 114 . 1 1 1 A 16 16 TYR H H 16 9.138 8.039 1.099 1
1 115 . 1 1 1 A 16 16 TYR HA H 16 4.325 4.363 -0.038 1
1 122 . 1 1 1 A 16 16 TYR C C 16 176.155 177.600 -1.445 1
1 123 . 1 1 1 A 16 16 TYR CA C 16 60.508 60.829 -0.321 1
1 124 . 1 1 1 A 16 16 TYR CB C 16 37.564 37.350 0.214 1
1 129 . 1 1 1 A 16 16 TYR N N 16 130.571 126.358 4.213 1
1 130 . 1 1 1 A 17 17 GLU H H 17 8.405 8.125 0.280 1
1 131 . 1 1 1 A 17 17 GLU HA H 17 4.138 4.067 0.071 1
1 136 . 1 1 1 A 17 17 GLU C C 17 177.140 177.801 -0.661 1
1 137 . 1 1 1 A 17 17 GLU CA C 17 58.636 58.624 0.012 1
1 138 . 1 1 1 A 17 17 GLU CB C 17 29.210 29.622 -0.412 1
1 140 . 1 1 1 A 17 17 GLU N N 17 120.856 120.530 0.326 1
1 141 . 1 1 1 A 18 18 CYS H H 18 7.766 8.003 -0.237 1
1 142 . 1 1 1 A 18 18 CYS HA H 18 5.158 4.691 0.467 1
1 145 . 1 1 1 A 18 18 CYS C C 18 176.122 175.651 0.471 1
1 146 . 1 1 1 A 18 18 CYS CA C 18 58.203 59.389 -1.186 1
1 147 . 1 1 1 A 18 18 CYS CB C 18 32.419 30.180 2.239 1
1 148 . 1 1 1 A 18 18 CYS N N 18 113.779 114.938 -1.159 1
1 149 . 1 1 1 A 19 19 GLY H H 19 8.233 8.039 0.194 1
1 150 . 1 1 1 A 19 19 GLY HA2 H 19 3.693 4.097 -0.404 1
1 151 . 1 1 1 A 19 19 GLY HA3 H 19 4.262 4.117 0.145 1
1 152 . 1 1 1 A 19 19 GLY C C 19 173.845 174.724 -0.879 1
1 153 . 1 1 1 A 19 19 GLY CA C 19 46.274 45.020 1.254 1
1 154 . 1 1 1 A 19 19 GLY N N 19 113.979 110.078 3.901 1
1 155 . 1 1 1 A 20 20 LYS H H 20 7.886 7.409 0.477 1
1 156 . 1 1 1 A 20 20 LYS HA H 20 3.959 4.269 -0.310 1
1 165 . 1 1 1 A 20 20 LYS C C 20 173.244 175.125 -1.881 1
1 166 . 1 1 1 A 20 20 LYS CA C 20 58.013 56.028 1.985 1
1 167 . 1 1 1 A 20 20 LYS CB C 20 33.996 34.238 -0.242 1
1 171 . 1 1 1 A 20 20 LYS N N 20 122.721 120.152 2.569 1
1 172 . 1 1 1 A 21 21 ALA H H 21 7.714 7.736 -0.022 1
1 173 . 1 1 1 A 21 21 ALA HA H 21 5.064 5.596 -0.532 1
1 177 . 1 1 1 A 21 21 ALA C C 21 175.915 174.828 1.087 1
1 178 . 1 1 1 A 21 21 ALA CA C 21 50.272 50.104 0.168 1
1 179 . 1 1 1 A 21 21 ALA CB C 21 22.367 24.056 -1.689 1
1 180 . 1 1 1 A 21 21 ALA N N 21 122.778 119.999 2.779 1
1 181 . 1 1 1 A 22 22 PHE H H 22 8.686 8.888 -0.202 1
1 182 . 1 1 1 A 22 22 PHE HA H 22 4.724 4.750 -0.026 1
1 190 . 1 1 1 A 22 22 PHE C C 22 175.341 175.610 -0.269 1
1 191 . 1 1 1 A 22 22 PHE CA C 22 57.367 56.497 0.870 1
1 192 . 1 1 1 A 22 22 PHE CB C 22 43.930 43.317 0.613 1
1 198 . 1 1 1 A 22 22 PHE N N 22 116.150 115.887 0.263 1
1 199 . 1 1 1 A 23 23 ARG H H 23 9.607 8.717 0.890 1
1 200 . 1 1 1 A 23 23 ARG HA H 23 4.514 4.122 0.392 1
1 207 . 1 1 1 A 23 23 ARG C C 23 176.305 176.381 -0.076 1
1 208 . 1 1 1 A 23 23 ARG CA C 23 58.710 59.145 -0.435 1
1 209 . 1 1 1 A 23 23 ARG CB C 23 32.010 30.603 1.407 1
1 212 . 1 1 1 A 23 23 ARG N N 23 120.730 122.944 -2.214 1
1 213 . 1 1 1 A 24 24 THR H H 24 7.231 7.735 -0.504 1
1 214 . 1 1 1 A 24 24 THR HA H 24 4.787 4.199 0.588 1
1 219 . 1 1 1 A 24 24 THR C C 24 173.868 174.767 -0.899 1
1 220 . 1 1 1 A 24 24 THR CA C 24 58.268 59.678 -1.410 1
1 221 . 1 1 1 A 24 24 THR CB C 24 72.469 71.708 0.761 1
1 223 . 1 1 1 A 24 24 THR N N 24 103.056 111.225 -8.169 1
1 224 . 1 1 1 A 25 25 ARG H H 25 8.333 8.652 -0.319 1
1 225 . 1 1 1 A 25 25 ARG HA H 25 4.787 4.101 0.686 1
1 232 . 1 1 1 A 25 25 ARG C C 25 178.700 177.482 1.218 1
1 233 . 1 1 1 A 25 25 ARG CA C 25 58.670 59.320 -0.650 1
1 234 . 1 1 1 A 25 25 ARG CB C 25 29.210 30.406 -1.196 1
1 237 . 1 1 1 A 25 25 ARG N N 25 123.788 122.818 0.970 1
1 238 . 1 1 1 A 26 26 SER HA H 26 4.136 4.021 0.115 1
1 241 . 1 1 1 A 26 26 SER C C 26 176.659 176.999 -0.340 1
1 242 . 1 1 1 A 26 26 SER CA C 26 61.194 61.623 -0.429 1
1 243 . 1 1 1 A 26 26 SER CB C 26 62.241 62.996 -0.755 1
1 244 . 1 1 1 A 26 26 SER N N 26 116.000 114.010 1.990 1
1 245 . 1 1 1 A 27 27 ASN H H 27 7.748 7.896 -0.148 1
1 246 . 1 1 1 A 27 27 ASN HA H 27 4.390 4.466 -0.076 1
1 251 . 1 1 1 A 27 27 ASN C C 27 177.533 177.075 0.458 1
1 252 . 1 1 1 A 27 27 ASN CA C 27 55.425 56.061 -0.636 1
1 253 . 1 1 1 A 27 27 ASN CB C 27 38.124 39.385 -1.261 1
1 254 . 1 1 1 A 27 27 ASN N N 27 120.092 119.121 0.971 1
1 255 . 1 1 1 A 28 28 LEU H H 28 7.264 8.004 -0.740 1
1 256 . 1 1 1 A 28 28 LEU HA H 28 3.261 1.821 1.440 1
1 266 . 1 1 1 A 28 28 LEU C C 28 177.429 178.256 -0.827 1
1 267 . 1 1 1 A 28 28 LEU CA C 28 58.283 57.043 1.240 1
1 268 . 1 1 1 A 28 28 LEU CB C 28 40.483 41.562 -1.079 1
1 272 . 1 1 1 A 28 28 LEU N N 28 122.398 119.785 2.613 1
1 273 . 1 1 1 A 29 29 THR H H 29 8.649 8.212 0.437 1
1 274 . 1 1 1 A 29 29 THR HA H 29 3.970 3.855 0.115 1
1 279 . 1 1 1 A 29 29 THR C C 29 177.377 176.505 0.872 1
1 280 . 1 1 1 A 29 29 THR CA C 29 66.593 66.394 0.199 1
1 281 . 1 1 1 A 29 29 THR CB C 29 68.457 68.471 -0.014 1
1 283 . 1 1 1 A 29 29 THR N N 29 116.386 113.941 2.445 1
1 284 . 1 1 1 A 30 30 THR H H 30 8.106 7.750 0.356 1
1 285 . 1 1 1 A 30 30 THR HA H 30 3.910 4.046 -0.136 1
1 290 . 1 1 1 A 30 30 THR C C 30 176.144 176.145 -0.001 1
1 291 . 1 1 1 A 30 30 THR CA C 30 66.260 65.506 0.754 1
1 292 . 1 1 1 A 30 30 THR CB C 30 68.792 68.967 -0.175 1
1 294 . 1 1 1 A 30 30 THR N N 30 117.533 115.731 1.802 1
1 295 . 1 1 1 A 31 31 HIS H H 31 7.341 7.965 -0.624 1
1 296 . 1 1 1 A 31 31 HIS HA H 31 4.205 4.319 -0.114 1
1 301 . 1 1 1 A 31 31 HIS C C 31 176.196 177.314 -1.118 1
1 302 . 1 1 1 A 31 31 HIS CA C 31 58.919 58.565 0.354 1
1 303 . 1 1 1 A 31 31 HIS CB C 31 28.268 30.203 -1.935 1
1 306 . 1 1 1 A 31 31 HIS N N 31 120.815 120.231 0.584 1
1 307 . 1 1 1 A 32 32 GLN H H 32 8.186 8.031 0.155 1
1 308 . 1 1 1 A 32 32 GLN HA H 32 3.562 3.988 -0.426 1
1 315 . 1 1 1 A 32 32 GLN C C 32 177.032 178.347 -1.315 1
1 316 . 1 1 1 A 32 32 GLN CA C 32 59.582 58.269 1.313 1
1 317 . 1 1 1 A 32 32 GLN CB C 32 28.457 28.528 -0.071 1
1 319 . 1 1 1 A 32 32 GLN N N 32 114.261 118.648 -4.387 1
1 321 . 1 1 1 A 33 33 VAL H H 33 6.965 7.508 -0.543 1
1 322 . 1 1 1 A 33 33 VAL HA H 33 3.868 3.914 -0.046 1
1 330 . 1 1 1 A 33 33 VAL C C 33 178.168 178.209 -0.041 1
1 331 . 1 1 1 A 33 33 VAL CA C 33 64.658 65.712 -1.054 1
1 332 . 1 1 1 A 33 33 VAL CB C 33 31.715 31.698 0.017 1
1 335 . 1 1 1 A 33 33 VAL N N 33 117.665 120.299 -2.634 1
1 336 . 1 1 1 A 34 34 ILE H H 34 7.621 7.200 0.421 1
1 337 . 1 1 1 A 34 34 ILE HA H 34 3.941 3.725 0.216 1
1 347 . 1 1 1 A 34 34 ILE C C 34 177.076 176.619 0.457 1
1 348 . 1 1 1 A 34 34 ILE CA C 34 63.207 63.993 -0.786 1
1 349 . 1 1 1 A 34 34 ILE CB C 34 37.688 37.037 0.651 1
1 353 . 1 1 1 A 34 34 ILE N N 34 117.372 116.713 0.659 1
1 354 . 1 1 1 A 35 35 HIS H H 35 7.253 7.712 -0.459 1
1 355 . 1 1 1 A 35 35 HIS HA H 35 4.908 4.504 0.404 1
1 360 . 1 1 1 A 35 35 HIS C C 35 175.795 175.286 0.509 1
1 361 . 1 1 1 A 35 35 HIS CA C 35 54.926 57.069 -2.143 1
1 362 . 1 1 1 A 35 35 HIS CB C 35 28.529 30.177 -1.648 1
1 365 . 1 1 1 A 35 35 HIS N N 35 117.505 119.279 -1.774 1
1 366 . 1 1 1 A 36 36 THR H H 36 7.827 7.374 0.453 1
1 367 . 1 1 1 A 36 36 THR HA H 36 4.331 4.428 -0.097 1
1 372 . 1 1 1 A 36 36 THR C C 36 175.532 174.898 0.634 1
1 373 . 1 1 1 A 36 36 THR CA C 36 63.020 60.803 2.217 1
1 374 . 1 1 1 A 36 36 THR CB C 36 69.891 69.758 0.133 1
1 376 . 1 1 1 A 36 36 THR N N 36 112.717 111.022 1.695 1
1 377 . 1 1 1 A 37 37 GLY H H 37 8.358 8.870 -0.512 1
1 378 . 1 1 1 A 37 37 GLY HA2 H 37 4.010 4.051 -0.041 1
1 379 . 1 1 1 A 37 37 GLY HA3 H 37 4.010 4.059 -0.049 1
1 380 . 1 1 1 A 37 37 GLY C C 37 174.222 172.404 1.818 1
1 381 . 1 1 1 A 37 37 GLY CA C 37 45.394 44.430 0.964 1
1 382 . 1 1 1 A 37 37 GLY N N 37 110.814 111.125 -0.311 1
1 383 . 1 1 1 A 38 38 GLU H H 38 8.119 8.400 -0.281 1
1 384 . 1 1 1 A 38 38 GLU HA H 38 4.233 4.849 -0.616 1
1 389 . 1 1 1 A 38 38 GLU C C 38 176.521 177.058 -0.537 1
1 390 . 1 1 1 A 38 38 GLU CA C 38 56.698 54.406 2.292 1
1 391 . 1 1 1 A 38 38 GLU CB C 38 30.459 32.994 -2.535 1
1 393 . 1 1 1 A 38 38 GLU N N 38 120.653 120.523 0.130 1
1 394 . 1 1 1 A 39 39 LYS H H 39 8.372 9.011 -0.639 1
1 395 . 1 1 1 A 39 39 LYS HA H 39 4.325 3.865 0.460 1
1 404 . 1 1 1 A 39 39 LYS C C 39 176.520 176.939 -0.419 1
1 405 . 1 1 1 A 39 39 LYS CA C 39 56.254 60.318 -4.064 1
1 406 . 1 1 1 A 39 39 LYS CB C 39 32.719 32.360 0.359 1
1 410 . 1 1 1 A 39 39 LYS N N 39 122.536 126.702 -4.166 1
1 411 . 1 1 1 A 40 40 ARG H H 40 8.435 7.667 0.768 1
1 412 . 1 1 1 A 40 40 ARG HA H 40 4.407 4.526 -0.119 1
1 419 . 1 1 1 A 40 40 ARG C C 40 176.290 175.739 0.551 1
1 420 . 1 1 1 A 40 40 ARG CA C 40 56.011 54.644 1.367 1
1 421 . 1 1 1 A 40 40 ARG CB C 40 30.978 28.761 2.217 1
1 424 . 1 1 1 A 40 40 ARG N N 40 122.912 118.562 4.350 1
1 425 . 1 1 1 A 41 41 SER H H 41 8.428 8.475 -0.047 1
1 426 . 1 1 1 A 41 41 SER HA H 41 4.507 4.422 0.085 1
1 429 . 1 1 1 A 41 41 SER C C 41 174.450 174.971 -0.521 1
1 430 . 1 1 1 A 41 41 SER CA C 41 58.208 58.352 -0.144 1
1 431 . 1 1 1 A 41 41 SER CB C 41 64.046 63.763 0.283 1
1 432 . 1 1 1 A 41 41 SER N N 41 117.335 119.978 -2.643 1
1 433 . 1 1 1 A 42 42 GLY H H 42 8.265 8.432 -0.167 1
1 434 . 1 1 1 A 42 42 GLY HA2 H 42 4.149 4.096 0.053 1
1 435 . 1 1 1 A 42 42 GLY HA3 H 42 4.115 4.096 0.019 1
1 436 . 1 1 1 A 42 42 GLY C C 42 171.715 174.706 -2.991 1
1 437 . 1 1 1 A 42 42 GLY CA C 42 44.661 44.035 0.626 1
1 438 . 1 1 1 A 42 42 GLY N N 42 110.713 109.278 1.435 1
1 439 . 1 1 1 A 43 43 PRO HA H 43 4.476 4.467 0.009 1
1 446 . 1 1 1 A 43 43 PRO C C 43 177.405 176.222 1.183 1
1 447 . 1 1 1 A 43 43 PRO CA C 43 63.215 64.205 -0.990 1
1 448 . 1 1 1 A 43 43 PRO CB C 43 32.224 31.780 0.444 1
1 451 . 1 1 1 A 44 44 SER H H 44 8.543 8.037 0.506 1
1 452 . 1 1 1 A 44 44 SER HA H 44 4.507 4.644 -0.137 1
1 455 . 1 1 1 A 44 44 SER C C 44 174.588 175.565 -0.977 1
1 456 . 1 1 1 A 44 44 SER CA C 44 58.352 57.943 0.409 1
1 457 . 1 1 1 A 44 44 SER CB C 44 63.989 64.906 -0.917 1
1 458 . 1 1 1 A 44 44 SER N N 44 116.402 115.755 0.647 1
1 459 . 1 1 1 A 45 45 SER H H 45 8.318 8.584 -0.266 1
1 460 . 1 1 1 A 45 45 SER HA H 45 4.508 4.253 0.255 1
1 463 . 1 1 1 A 45 45 SER C C 45 173.887 175.031 -1.144 1
1 464 . 1 1 1 A 45 45 SER CA C 45 58.286 59.771 -1.485 1
1 465 . 1 1 1 A 45 45 SER CB C 45 64.037 63.832 0.205 1
1 466 . 1 1 1 A 45 45 SER N N 45 117.792 116.761 1.031 1
1 1 . 2 1 1 A 7 7 GLY HA2 H 7 3.998 3.893 0.105 1
1 2 . 2 1 1 A 7 7 GLY HA3 H 7 3.998 3.897 0.101 1
1 3 . 2 1 1 A 7 7 GLY C C 7 174.369 174.523 -0.154 1
1 4 . 2 1 1 A 7 7 GLY CA C 7 45.413 46.972 -1.559 1
1 5 . 2 1 1 A 8 8 THR H H 8 8.058 8.248 -0.190 1
1 6 . 2 1 1 A 8 8 THR HA H 8 4.332 4.517 -0.185 1
1 11 . 2 1 1 A 8 8 THR C C 8 174.812 173.931 0.881 1
1 12 . 2 1 1 A 8 8 THR CA C 8 61.812 61.725 0.087 1
1 13 . 2 1 1 A 8 8 THR CB C 8 69.909 68.580 1.329 1
1 15 . 2 1 1 A 8 8 THR N N 8 113.853 114.765 -0.912 1
1 16 . 2 1 1 A 9 9 LYS H H 9 8.368 8.596 -0.228 1
1 17 . 2 1 1 A 9 9 LYS HA H 9 4.234 4.545 -0.311 1
1 26 . 2 1 1 A 9 9 LYS C C 9 176.726 176.494 0.232 1
1 27 . 2 1 1 A 9 9 LYS CA C 9 56.616 56.769 -0.153 1
1 28 . 2 1 1 A 9 9 LYS CB C 9 32.666 33.942 -1.276 1
1 32 . 2 1 1 A 9 9 LYS N N 9 122.996 126.159 -3.163 1
1 33 . 2 1 1 A 10 10 GLU H H 10 8.247 7.667 0.580 1
1 34 . 2 1 1 A 10 10 GLU HA H 10 4.120 4.384 -0.264 1
1 39 . 2 1 1 A 10 10 GLU C C 10 176.223 176.126 0.097 1
1 40 . 2 1 1 A 10 10 GLU CA C 10 57.320 56.066 1.254 1
1 41 . 2 1 1 A 10 10 GLU CB C 10 30.234 30.737 -0.503 1
1 43 . 2 1 1 A 10 10 GLU N N 10 120.550 118.199 2.351 1
1 44 . 2 1 1 A 11 11 LYS H H 11 8.016 8.900 -0.884 1
1 45 . 2 1 1 A 11 11 LYS HA H 11 4.517 3.831 0.686 1
1 54 . 2 1 1 A 11 11 LYS C C 11 173.757 176.810 -3.053 1
1 55 . 2 1 1 A 11 11 LYS CA C 11 53.783 56.874 -3.091 1
1 56 . 2 1 1 A 11 11 LYS CB C 11 33.260 30.384 2.876 1
1 60 . 2 1 1 A 11 11 LYS N N 11 119.846 117.863 1.983 1
1 61 . 2 1 1 A 12 12 PRO HA H 12 4.272 4.549 -0.277 1
1 68 . 2 1 1 A 12 12 PRO C C 12 176.667 176.248 0.419 1
1 69 . 2 1 1 A 12 12 PRO CA C 12 63.412 65.344 -1.932 1
1 70 . 2 1 1 A 12 12 PRO CB C 12 32.362 31.904 0.458 1
1 73 . 2 1 1 A 13 13 TYR H H 13 7.801 7.578 0.223 1
1 74 . 2 1 1 A 13 13 TYR HA H 13 4.578 4.673 -0.095 1
1 81 . 2 1 1 A 13 13 TYR C C 13 174.321 174.917 -0.596 1
1 82 . 2 1 1 A 13 13 TYR CA C 13 57.814 58.224 -0.410 1
1 83 . 2 1 1 A 13 13 TYR CB C 13 38.437 38.710 -0.273 1
1 88 . 2 1 1 A 13 13 TYR N N 13 118.297 118.132 0.165 1
1 89 . 2 1 1 A 14 14 LYS H H 14 8.450 8.934 -0.484 1
1 90 . 2 1 1 A 14 14 LYS HA H 14 4.734 5.337 -0.603 1
1 99 . 2 1 1 A 14 14 LYS C C 14 174.596 175.579 -0.983 1
1 100 . 2 1 1 A 14 14 LYS CA C 14 55.254 54.371 0.883 1
1 101 . 2 1 1 A 14 14 LYS CB C 14 35.279 35.710 -0.431 1
1 105 . 2 1 1 A 14 14 LYS N N 14 125.533 125.282 0.251 1
1 106 . 2 1 1 A 15 15 CYS H H 15 9.186 9.159 0.027 1
1 107 . 2 1 1 A 15 15 CYS HA H 15 4.563 4.385 0.178 1
1 110 . 2 1 1 A 15 15 CYS C C 15 176.896 175.545 1.351 1
1 111 . 2 1 1 A 15 15 CYS CA C 15 58.735 58.916 -0.181 1
1 112 . 2 1 1 A 15 15 CYS CB C 15 29.404 27.862 1.542 1
1 113 . 2 1 1 A 15 15 CYS N N 15 126.149 125.210 0.939 1
1 114 . 2 1 1 A 16 16 TYR H H 16 9.138 7.860 1.278 1
1 115 . 2 1 1 A 16 16 TYR HA H 16 4.325 4.314 0.011 1
1 122 . 2 1 1 A 16 16 TYR C C 16 176.155 177.845 -1.690 1
1 123 . 2 1 1 A 16 16 TYR CA C 16 60.508 60.947 -0.439 1
1 124 . 2 1 1 A 16 16 TYR CB C 16 37.564 37.657 -0.093 1
1 129 . 2 1 1 A 16 16 TYR N N 16 130.571 126.065 4.506 1
1 130 . 2 1 1 A 17 17 GLU H H 17 8.405 8.204 0.201 1
1 131 . 2 1 1 A 17 17 GLU HA H 17 4.138 4.064 0.074 1
1 136 . 2 1 1 A 17 17 GLU C C 17 177.140 177.827 -0.687 1
1 137 . 2 1 1 A 17 17 GLU CA C 17 58.636 58.839 -0.203 1
1 138 . 2 1 1 A 17 17 GLU CB C 17 29.210 29.569 -0.359 1
1 140 . 2 1 1 A 17 17 GLU N N 17 120.856 120.626 0.230 1
1 141 . 2 1 1 A 18 18 CYS H H 18 7.766 7.998 -0.232 1
1 142 . 2 1 1 A 18 18 CYS HA H 18 5.158 4.694 0.464 1
1 145 . 2 1 1 A 18 18 CYS C C 18 176.122 175.537 0.585 1
1 146 . 2 1 1 A 18 18 CYS CA C 18 58.203 59.564 -1.361 1
1 147 . 2 1 1 A 18 18 CYS CB C 18 32.419 30.051 2.368 1
1 148 . 2 1 1 A 18 18 CYS N N 18 113.779 114.811 -1.032 1
1 149 . 2 1 1 A 19 19 GLY H H 19 8.233 8.003 0.230 1
1 150 . 2 1 1 A 19 19 GLY HA2 H 19 3.693 4.105 -0.412 1
1 151 . 2 1 1 A 19 19 GLY HA3 H 19 4.262 4.125 0.137 1
1 152 . 2 1 1 A 19 19 GLY C C 19 173.845 174.495 -0.650 1
1 153 . 2 1 1 A 19 19 GLY CA C 19 46.274 44.977 1.297 1
1 154 . 2 1 1 A 19 19 GLY N N 19 113.979 109.856 4.123 1
1 155 . 2 1 1 A 20 20 LYS H H 20 7.886 7.354 0.532 1
1 156 . 2 1 1 A 20 20 LYS HA H 20 3.959 4.268 -0.309 1
1 165 . 2 1 1 A 20 20 LYS C C 20 173.244 175.096 -1.852 1
1 166 . 2 1 1 A 20 20 LYS CA C 20 58.013 56.020 1.993 1
1 167 . 2 1 1 A 20 20 LYS CB C 20 33.996 34.254 -0.258 1
1 171 . 2 1 1 A 20 20 LYS N N 20 122.721 120.074 2.647 1
1 172 . 2 1 1 A 21 21 ALA H H 21 7.714 7.727 -0.013 1
1 173 . 2 1 1 A 21 21 ALA HA H 21 5.064 5.540 -0.476 1
1 177 . 2 1 1 A 21 21 ALA C C 21 175.915 174.949 0.966 1
1 178 . 2 1 1 A 21 21 ALA CA C 21 50.272 50.141 0.131 1
1 179 . 2 1 1 A 21 21 ALA CB C 21 22.367 23.953 -1.586 1
1 180 . 2 1 1 A 21 21 ALA N N 21 122.778 120.299 2.479 1
1 181 . 2 1 1 A 22 22 PHE H H 22 8.686 8.801 -0.115 1
1 182 . 2 1 1 A 22 22 PHE HA H 22 4.724 4.830 -0.106 1
1 190 . 2 1 1 A 22 22 PHE C C 22 175.341 175.586 -0.245 1
1 191 . 2 1 1 A 22 22 PHE CA C 22 57.367 56.576 0.791 1
1 192 . 2 1 1 A 22 22 PHE CB C 22 43.930 43.233 0.697 1
1 198 . 2 1 1 A 22 22 PHE N N 22 116.150 116.230 -0.080 1
1 199 . 2 1 1 A 23 23 ARG H H 23 9.607 8.792 0.815 1
1 200 . 2 1 1 A 23 23 ARG HA H 23 4.514 4.161 0.353 1
1 207 . 2 1 1 A 23 23 ARG C C 23 176.305 176.338 -0.033 1
1 208 . 2 1 1 A 23 23 ARG CA C 23 58.710 58.934 -0.224 1
1 209 . 2 1 1 A 23 23 ARG CB C 23 32.010 30.789 1.221 1
1 212 . 2 1 1 A 23 23 ARG N N 23 120.730 122.547 -1.817 1
1 213 . 2 1 1 A 24 24 THR H H 24 7.231 7.676 -0.445 1
1 214 . 2 1 1 A 24 24 THR HA H 24 4.787 4.321 0.466 1
1 219 . 2 1 1 A 24 24 THR C C 24 173.868 175.010 -1.142 1
1 220 . 2 1 1 A 24 24 THR CA C 24 58.268 59.554 -1.286 1
1 221 . 2 1 1 A 24 24 THR CB C 24 72.469 71.612 0.857 1
1 223 . 2 1 1 A 24 24 THR N N 24 103.056 111.739 -8.683 1
1 224 . 2 1 1 A 25 25 ARG H H 25 8.333 8.771 -0.438 1
1 225 . 2 1 1 A 25 25 ARG HA H 25 4.787 4.087 0.700 1
1 232 . 2 1 1 A 25 25 ARG C C 25 178.700 177.895 0.805 1
1 233 . 2 1 1 A 25 25 ARG CA C 25 58.670 59.500 -0.830 1
1 234 . 2 1 1 A 25 25 ARG CB C 25 29.210 30.328 -1.118 1
1 237 . 2 1 1 A 25 25 ARG N N 25 123.788 123.021 0.767 1
1 238 . 2 1 1 A 26 26 SER HA H 26 4.136 4.069 0.067 1
1 241 . 2 1 1 A 26 26 SER C C 26 176.659 177.101 -0.442 1
1 242 . 2 1 1 A 26 26 SER CA C 26 61.194 61.642 -0.448 1
1 243 . 2 1 1 A 26 26 SER CB C 26 62.241 62.925 -0.684 1
1 244 . 2 1 1 A 26 26 SER N N 26 116.000 113.765 2.235 1
1 245 . 2 1 1 A 27 27 ASN H H 27 7.748 7.810 -0.062 1
1 246 . 2 1 1 A 27 27 ASN HA H 27 4.390 4.423 -0.033 1
1 251 . 2 1 1 A 27 27 ASN C C 27 177.533 176.979 0.554 1
1 252 . 2 1 1 A 27 27 ASN CA C 27 55.425 56.316 -0.891 1
1 253 . 2 1 1 A 27 27 ASN CB C 27 38.124 39.450 -1.326 1
1 254 . 2 1 1 A 27 27 ASN N N 27 120.092 118.997 1.095 1
1 255 . 2 1 1 A 28 28 LEU H H 28 7.264 7.944 -0.680 1
1 256 . 2 1 1 A 28 28 LEU HA H 28 3.261 1.815 1.446 1
1 266 . 2 1 1 A 28 28 LEU C C 28 177.429 178.342 -0.913 1
1 267 . 2 1 1 A 28 28 LEU CA C 28 58.283 57.150 1.133 1
1 268 . 2 1 1 A 28 28 LEU CB C 28 40.483 41.703 -1.220 1
1 272 . 2 1 1 A 28 28 LEU N N 28 122.398 119.876 2.522 1
1 273 . 2 1 1 A 29 29 THR H H 29 8.649 8.215 0.434 1
1 274 . 2 1 1 A 29 29 THR HA H 29 3.970 3.829 0.141 1
1 279 . 2 1 1 A 29 29 THR C C 29 177.377 176.285 1.092 1
1 280 . 2 1 1 A 29 29 THR CA C 29 66.593 66.415 0.178 1
1 281 . 2 1 1 A 29 29 THR CB C 29 68.457 68.425 0.032 1
1 283 . 2 1 1 A 29 29 THR N N 29 116.386 113.878 2.508 1
1 284 . 2 1 1 A 30 30 THR H H 30 8.106 7.863 0.243 1
1 285 . 2 1 1 A 30 30 THR HA H 30 3.910 3.934 -0.024 1
1 290 . 2 1 1 A 30 30 THR C C 30 176.144 176.348 -0.204 1
1 291 . 2 1 1 A 30 30 THR CA C 30 66.260 65.677 0.583 1
1 292 . 2 1 1 A 30 30 THR CB C 30 68.792 68.797 -0.005 1
1 294 . 2 1 1 A 30 30 THR N N 30 117.533 115.837 1.696 1
1 295 . 2 1 1 A 31 31 HIS H H 31 7.341 7.719 -0.378 1
1 296 . 2 1 1 A 31 31 HIS HA H 31 4.205 4.240 -0.035 1
1 301 . 2 1 1 A 31 31 HIS C C 31 176.196 177.292 -1.096 1
1 302 . 2 1 1 A 31 31 HIS CA C 31 58.919 58.517 0.402 1
1 303 . 2 1 1 A 31 31 HIS CB C 31 28.268 30.069 -1.801 1
1 306 . 2 1 1 A 31 31 HIS N N 31 120.815 120.217 0.598 1
1 307 . 2 1 1 A 32 32 GLN H H 32 8.186 8.040 0.146 1
1 308 . 2 1 1 A 32 32 GLN HA H 32 3.562 3.977 -0.415 1
1 315 . 2 1 1 A 32 32 GLN C C 32 177.032 178.457 -1.425 1
1 316 . 2 1 1 A 32 32 GLN CA C 32 59.582 58.337 1.245 1
1 317 . 2 1 1 A 32 32 GLN CB C 32 28.457 28.650 -0.193 1
1 319 . 2 1 1 A 32 32 GLN N N 32 114.261 118.630 -4.369 1
1 321 . 2 1 1 A 33 33 VAL H H 33 6.965 7.470 -0.505 1
1 322 . 2 1 1 A 33 33 VAL HA H 33 3.868 3.966 -0.098 1
1 330 . 2 1 1 A 33 33 VAL C C 33 178.168 178.280 -0.112 1
1 331 . 2 1 1 A 33 33 VAL CA C 33 64.658 65.850 -1.192 1
1 332 . 2 1 1 A 33 33 VAL CB C 33 31.715 31.603 0.112 1
1 335 . 2 1 1 A 33 33 VAL N N 33 117.665 120.146 -2.481 1
1 336 . 2 1 1 A 34 34 ILE H H 34 7.621 7.305 0.316 1
1 337 . 2 1 1 A 34 34 ILE HA H 34 3.941 3.726 0.215 1
1 347 . 2 1 1 A 34 34 ILE C C 34 177.076 176.671 0.405 1
1 348 . 2 1 1 A 34 34 ILE CA C 34 63.207 63.980 -0.773 1
1 349 . 2 1 1 A 34 34 ILE CB C 34 37.688 37.061 0.627 1
1 353 . 2 1 1 A 34 34 ILE N N 34 117.372 116.964 0.408 1
1 354 . 2 1 1 A 35 35 HIS H H 35 7.253 7.563 -0.310 1
1 355 . 2 1 1 A 35 35 HIS HA H 35 4.908 4.506 0.402 1
1 360 . 2 1 1 A 35 35 HIS C C 35 175.795 175.675 0.120 1
1 361 . 2 1 1 A 35 35 HIS CA C 35 54.926 57.855 -2.929 1
1 362 . 2 1 1 A 35 35 HIS CB C 35 28.529 30.375 -1.846 1
1 365 . 2 1 1 A 35 35 HIS N N 35 117.505 119.354 -1.849 1
1 366 . 2 1 1 A 36 36 THR H H 36 7.827 7.734 0.093 1
1 367 . 2 1 1 A 36 36 THR HA H 36 4.331 4.360 -0.029 1
1 372 . 2 1 1 A 36 36 THR C C 36 175.532 173.988 1.544 1
1 373 . 2 1 1 A 36 36 THR CA C 36 63.020 61.001 2.019 1
1 374 . 2 1 1 A 36 36 THR CB C 36 69.891 68.258 1.633 1
1 376 . 2 1 1 A 36 36 THR N N 36 112.717 107.699 5.018 1
1 377 . 2 1 1 A 37 37 GLY H H 37 8.358 8.176 0.182 1
1 378 . 2 1 1 A 37 37 GLY HA2 H 37 4.010 4.246 -0.236 1
1 379 . 2 1 1 A 37 37 GLY HA3 H 37 4.010 4.246 -0.236 1
1 380 . 2 1 1 A 37 37 GLY C C 37 174.222 173.395 0.827 1
1 381 . 2 1 1 A 37 37 GLY CA C 37 45.394 44.763 0.631 1
1 382 . 2 1 1 A 37 37 GLY N N 37 110.814 112.531 -1.717 1
1 383 . 2 1 1 A 38 38 GLU H H 38 8.119 8.811 -0.692 1
1 384 . 2 1 1 A 38 38 GLU HA H 38 4.233 4.606 -0.373 1
1 389 . 2 1 1 A 38 38 GLU C C 38 176.521 175.686 0.835 1
1 390 . 2 1 1 A 38 38 GLU CA C 38 56.698 55.869 0.829 1
1 391 . 2 1 1 A 38 38 GLU CB C 38 30.459 28.445 2.014 1
1 393 . 2 1 1 A 38 38 GLU N N 38 120.653 122.729 -2.076 1
1 394 . 2 1 1 A 39 39 LYS H H 39 8.372 8.174 0.198 1
1 395 . 2 1 1 A 39 39 LYS HA H 39 4.325 4.207 0.118 1
1 404 . 2 1 1 A 39 39 LYS C C 39 176.520 176.683 -0.163 1
1 405 . 2 1 1 A 39 39 LYS CA C 39 56.254 56.909 -0.655 1
1 406 . 2 1 1 A 39 39 LYS CB C 39 32.719 33.197 -0.478 1
1 410 . 2 1 1 A 39 39 LYS N N 39 122.536 125.098 -2.562 1
1 411 . 2 1 1 A 40 40 ARG H H 40 8.435 8.626 -0.191 1
1 412 . 2 1 1 A 40 40 ARG HA H 40 4.407 4.445 -0.038 1
1 419 . 2 1 1 A 40 40 ARG C C 40 176.290 175.339 0.951 1
1 420 . 2 1 1 A 40 40 ARG CA C 40 56.011 55.070 0.941 1
1 421 . 2 1 1 A 40 40 ARG CB C 40 30.978 28.545 2.433 1
1 424 . 2 1 1 A 40 40 ARG N N 40 122.912 126.471 -3.559 1
1 425 . 2 1 1 A 41 41 SER H H 41 8.428 7.988 0.440 1
1 426 . 2 1 1 A 41 41 SER HA H 41 4.507 4.735 -0.228 1
1 429 . 2 1 1 A 41 41 SER C C 41 174.450 174.001 0.449 1
1 430 . 2 1 1 A 41 41 SER CA C 41 58.208 56.874 1.334 1
1 431 . 2 1 1 A 41 41 SER CB C 41 64.046 63.340 0.706 1
1 432 . 2 1 1 A 41 41 SER N N 41 117.335 118.193 -0.858 1
1 433 . 2 1 1 A 42 42 GLY H H 42 8.265 8.758 -0.493 1
1 434 . 2 1 1 A 42 42 GLY HA2 H 42 4.149 4.109 0.040 1
1 435 . 2 1 1 A 42 42 GLY HA3 H 42 4.115 4.109 0.006 1
1 436 . 2 1 1 A 42 42 GLY C C 42 171.715 174.824 -3.109 1
1 437 . 2 1 1 A 42 42 GLY CA C 42 44.661 44.331 0.330 1
1 438 . 2 1 1 A 42 42 GLY N N 42 110.713 114.033 -3.320 1
1 439 . 2 1 1 A 43 43 PRO HA H 43 4.476 4.437 0.039 1
1 446 . 2 1 1 A 43 43 PRO C C 43 177.405 176.178 1.227 1
1 447 . 2 1 1 A 43 43 PRO CA C 43 63.215 64.249 -1.034 1
1 448 . 2 1 1 A 43 43 PRO CB C 43 32.224 31.884 0.340 1
1 451 . 2 1 1 A 44 44 SER H H 44 8.543 7.755 0.788 1
1 452 . 2 1 1 A 44 44 SER HA H 44 4.507 4.941 -0.434 1
1 455 . 2 1 1 A 44 44 SER C C 44 174.588 173.838 0.750 1
1 456 . 2 1 1 A 44 44 SER CA C 44 58.352 57.783 0.569 1
1 457 . 2 1 1 A 44 44 SER CB C 44 63.989 66.564 -2.575 1
1 458 . 2 1 1 A 44 44 SER N N 44 116.402 114.201 2.201 1
1 459 . 2 1 1 A 45 45 SER H H 45 8.318 8.953 -0.635 1
1 460 . 2 1 1 A 45 45 SER HA H 45 4.508 4.470 0.038 1
1 463 . 2 1 1 A 45 45 SER C C 45 173.887 173.792 0.095 1
1 464 . 2 1 1 A 45 45 SER CA C 45 58.286 59.652 -1.366 1
1 465 . 2 1 1 A 45 45 SER CB C 45 64.037 64.135 -0.098 1
1 466 . 2 1 1 A 45 45 SER N N 45 117.792 120.140 -2.348 1
1 1 . 3 1 1 A 7 7 GLY HA2 H 7 3.998 3.998 0.000 1
1 2 . 3 1 1 A 7 7 GLY HA3 H 7 3.998 4.000 -0.002 1
1 3 . 3 1 1 A 7 7 GLY C C 7 174.369 174.553 -0.184 1
1 4 . 3 1 1 A 7 7 GLY CA C 7 45.413 45.407 0.006 1
1 5 . 3 1 1 A 8 8 THR H H 8 8.058 7.817 0.241 1
1 6 . 3 1 1 A 8 8 THR HA H 8 4.332 4.273 0.059 1
1 11 . 3 1 1 A 8 8 THR C C 8 174.812 174.259 0.553 1
1 12 . 3 1 1 A 8 8 THR CA C 8 61.812 62.464 -0.652 1
1 13 . 3 1 1 A 8 8 THR CB C 8 69.909 69.627 0.282 1
1 15 . 3 1 1 A 8 8 THR N N 8 113.853 115.769 -1.916 1
1 16 . 3 1 1 A 9 9 LYS H H 9 8.368 8.851 -0.483 1
1 17 . 3 1 1 A 9 9 LYS HA H 9 4.234 4.462 -0.228 1
1 26 . 3 1 1 A 9 9 LYS C C 9 176.726 176.978 -0.252 1
1 27 . 3 1 1 A 9 9 LYS CA C 9 56.616 57.578 -0.962 1
1 28 . 3 1 1 A 9 9 LYS CB C 9 32.666 34.521 -1.855 1
1 32 . 3 1 1 A 9 9 LYS N N 9 122.996 127.230 -4.234 1
1 33 . 3 1 1 A 10 10 GLU H H 10 8.247 7.870 0.377 1
1 34 . 3 1 1 A 10 10 GLU HA H 10 4.120 4.026 0.094 1
1 39 . 3 1 1 A 10 10 GLU C C 10 176.223 177.245 -1.022 1
1 40 . 3 1 1 A 10 10 GLU CA C 10 57.320 56.525 0.795 1
1 41 . 3 1 1 A 10 10 GLU CB C 10 30.234 30.730 -0.496 1
1 43 . 3 1 1 A 10 10 GLU N N 10 120.550 119.541 1.009 1
1 44 . 3 1 1 A 11 11 LYS H H 11 8.016 8.836 -0.820 1
1 45 . 3 1 1 A 11 11 LYS HA H 11 4.517 3.862 0.655 1
1 54 . 3 1 1 A 11 11 LYS C C 11 173.757 176.676 -2.919 1
1 55 . 3 1 1 A 11 11 LYS CA C 11 53.783 56.781 -2.998 1
1 56 . 3 1 1 A 11 11 LYS CB C 11 33.260 30.091 3.169 1
1 60 . 3 1 1 A 11 11 LYS N N 11 119.846 119.788 0.058 1
1 61 . 3 1 1 A 12 12 PRO HA H 12 4.272 4.607 -0.335 1
1 68 . 3 1 1 A 12 12 PRO C C 12 176.667 176.276 0.391 1
1 69 . 3 1 1 A 12 12 PRO CA C 12 63.412 65.235 -1.823 1
1 70 . 3 1 1 A 12 12 PRO CB C 12 32.362 31.867 0.495 1
1 73 . 3 1 1 A 13 13 TYR H H 13 7.801 7.684 0.117 1
1 74 . 3 1 1 A 13 13 TYR HA H 13 4.578 4.694 -0.116 1
1 81 . 3 1 1 A 13 13 TYR C C 13 174.321 174.874 -0.553 1
1 82 . 3 1 1 A 13 13 TYR CA C 13 57.814 58.005 -0.191 1
1 83 . 3 1 1 A 13 13 TYR CB C 13 38.437 38.637 -0.200 1
1 88 . 3 1 1 A 13 13 TYR N N 13 118.297 117.996 0.301 1
1 89 . 3 1 1 A 14 14 LYS H H 14 8.450 8.840 -0.390 1
1 90 . 3 1 1 A 14 14 LYS HA H 14 4.734 5.370 -0.636 1
1 99 . 3 1 1 A 14 14 LYS C C 14 174.596 175.598 -1.002 1
1 100 . 3 1 1 A 14 14 LYS CA C 14 55.254 54.427 0.827 1
1 101 . 3 1 1 A 14 14 LYS CB C 14 35.279 35.658 -0.379 1
1 105 . 3 1 1 A 14 14 LYS N N 14 125.533 125.657 -0.124 1
1 106 . 3 1 1 A 15 15 CYS H H 15 9.186 9.299 -0.113 1
1 107 . 3 1 1 A 15 15 CYS HA H 15 4.563 4.469 0.094 1
1 110 . 3 1 1 A 15 15 CYS C C 15 176.896 175.634 1.262 1
1 111 . 3 1 1 A 15 15 CYS CA C 15 58.735 58.778 -0.043 1
1 112 . 3 1 1 A 15 15 CYS CB C 15 29.404 28.194 1.210 1
1 113 . 3 1 1 A 15 15 CYS N N 15 126.149 125.218 0.931 1
1 114 . 3 1 1 A 16 16 TYR H H 16 9.138 7.920 1.218 1
1 115 . 3 1 1 A 16 16 TYR HA H 16 4.325 4.339 -0.014 1
1 122 . 3 1 1 A 16 16 TYR C C 16 176.155 177.837 -1.682 1
1 123 . 3 1 1 A 16 16 TYR CA C 16 60.508 60.960 -0.452 1
1 124 . 3 1 1 A 16 16 TYR CB C 16 37.564 37.534 0.030 1
1 129 . 3 1 1 A 16 16 TYR N N 16 130.571 126.074 4.497 1
1 130 . 3 1 1 A 17 17 GLU H H 17 8.405 8.212 0.193 1
1 131 . 3 1 1 A 17 17 GLU HA H 17 4.138 4.050 0.088 1
1 136 . 3 1 1 A 17 17 GLU C C 17 177.140 177.821 -0.681 1
1 137 . 3 1 1 A 17 17 GLU CA C 17 58.636 58.761 -0.125 1
1 138 . 3 1 1 A 17 17 GLU CB C 17 29.210 29.549 -0.339 1
1 140 . 3 1 1 A 17 17 GLU N N 17 120.856 120.434 0.422 1
1 141 . 3 1 1 A 18 18 CYS H H 18 7.766 8.041 -0.275 1
1 142 . 3 1 1 A 18 18 CYS HA H 18 5.158 4.704 0.454 1
1 145 . 3 1 1 A 18 18 CYS C C 18 176.122 175.552 0.570 1
1 146 . 3 1 1 A 18 18 CYS CA C 18 58.203 59.587 -1.384 1
1 147 . 3 1 1 A 18 18 CYS CB C 18 32.419 30.070 2.349 1
1 148 . 3 1 1 A 18 18 CYS N N 18 113.779 114.837 -1.058 1
1 149 . 3 1 1 A 19 19 GLY H H 19 8.233 7.950 0.283 1
1 150 . 3 1 1 A 19 19 GLY HA2 H 19 3.693 4.108 -0.415 1
1 151 . 3 1 1 A 19 19 GLY HA3 H 19 4.262 4.125 0.137 1
1 152 . 3 1 1 A 19 19 GLY C C 19 173.845 174.395 -0.550 1
1 153 . 3 1 1 A 19 19 GLY CA C 19 46.274 45.011 1.263 1
1 154 . 3 1 1 A 19 19 GLY N N 19 113.979 109.865 4.114 1
1 155 . 3 1 1 A 20 20 LYS H H 20 7.886 7.346 0.540 1
1 156 . 3 1 1 A 20 20 LYS HA H 20 3.959 4.333 -0.374 1
1 165 . 3 1 1 A 20 20 LYS C C 20 173.244 175.087 -1.843 1
1 166 . 3 1 1 A 20 20 LYS CA C 20 58.013 55.977 2.036 1
1 167 . 3 1 1 A 20 20 LYS CB C 20 33.996 34.281 -0.285 1
1 171 . 3 1 1 A 20 20 LYS N N 20 122.721 120.138 2.583 1
1 172 . 3 1 1 A 21 21 ALA H H 21 7.714 7.696 0.018 1
1 173 . 3 1 1 A 21 21 ALA HA H 21 5.064 5.538 -0.474 1
1 177 . 3 1 1 A 21 21 ALA C C 21 175.915 175.047 0.868 1
1 178 . 3 1 1 A 21 21 ALA CA C 21 50.272 50.129 0.143 1
1 179 . 3 1 1 A 21 21 ALA CB C 21 22.367 23.827 -1.460 1
1 180 . 3 1 1 A 21 21 ALA N N 21 122.778 119.969 2.809 1
1 181 . 3 1 1 A 22 22 PHE H H 22 8.686 8.930 -0.244 1
1 182 . 3 1 1 A 22 22 PHE HA H 22 4.724 4.864 -0.140 1
1 190 . 3 1 1 A 22 22 PHE C C 22 175.341 175.501 -0.160 1
1 191 . 3 1 1 A 22 22 PHE CA C 22 57.367 56.540 0.827 1
1 192 . 3 1 1 A 22 22 PHE CB C 22 43.930 43.454 0.476 1
1 198 . 3 1 1 A 22 22 PHE N N 22 116.150 116.332 -0.182 1
1 199 . 3 1 1 A 23 23 ARG H H 23 9.607 8.897 0.710 1
1 200 . 3 1 1 A 23 23 ARG HA H 23 4.514 4.243 0.271 1
1 207 . 3 1 1 A 23 23 ARG C C 23 176.305 176.246 0.059 1
1 208 . 3 1 1 A 23 23 ARG CA C 23 58.710 58.616 0.094 1
1 209 . 3 1 1 A 23 23 ARG CB C 23 32.010 30.828 1.182 1
1 212 . 3 1 1 A 23 23 ARG N N 23 120.730 121.672 -0.942 1
1 213 . 3 1 1 A 24 24 THR H H 24 7.231 7.669 -0.438 1
1 214 . 3 1 1 A 24 24 THR HA H 24 4.787 4.254 0.533 1
1 219 . 3 1 1 A 24 24 THR C C 24 173.868 175.342 -1.474 1
1 220 . 3 1 1 A 24 24 THR CA C 24 58.268 59.088 -0.820 1
1 221 . 3 1 1 A 24 24 THR CB C 24 72.469 71.697 0.772 1
1 223 . 3 1 1 A 24 24 THR N N 24 103.056 111.541 -8.485 1
1 224 . 3 1 1 A 25 25 ARG H H 25 8.333 8.809 -0.476 1
1 225 . 3 1 1 A 25 25 ARG HA H 25 4.787 4.087 0.700 1
1 232 . 3 1 1 A 25 25 ARG C C 25 178.700 178.001 0.699 1
1 233 . 3 1 1 A 25 25 ARG CA C 25 58.670 60.156 -1.486 1
1 234 . 3 1 1 A 25 25 ARG CB C 25 29.210 30.379 -1.169 1
1 237 . 3 1 1 A 25 25 ARG N N 25 123.788 122.732 1.056 1
1 238 . 3 1 1 A 26 26 SER HA H 26 4.136 4.053 0.083 1
1 241 . 3 1 1 A 26 26 SER C C 26 176.659 177.033 -0.374 1
1 242 . 3 1 1 A 26 26 SER CA C 26 61.194 61.658 -0.464 1
1 243 . 3 1 1 A 26 26 SER CB C 26 62.241 63.043 -0.802 1
1 244 . 3 1 1 A 26 26 SER N N 26 116.000 113.791 2.209 1
1 245 . 3 1 1 A 27 27 ASN H H 27 7.748 7.813 -0.065 1
1 246 . 3 1 1 A 27 27 ASN HA H 27 4.390 4.446 -0.056 1
1 251 . 3 1 1 A 27 27 ASN C C 27 177.533 177.002 0.531 1
1 252 . 3 1 1 A 27 27 ASN CA C 27 55.425 56.164 -0.739 1
1 253 . 3 1 1 A 27 27 ASN CB C 27 38.124 39.809 -1.685 1
1 254 . 3 1 1 A 27 27 ASN N N 27 120.092 118.900 1.192 1
1 255 . 3 1 1 A 28 28 LEU H H 28 7.264 7.958 -0.694 1
1 256 . 3 1 1 A 28 28 LEU HA H 28 3.261 2.088 1.173 1
1 266 . 3 1 1 A 28 28 LEU C C 28 177.429 178.359 -0.930 1
1 267 . 3 1 1 A 28 28 LEU CA C 28 58.283 57.262 1.021 1
1 268 . 3 1 1 A 28 28 LEU CB C 28 40.483 41.739 -1.256 1
1 272 . 3 1 1 A 28 28 LEU N N 28 122.398 119.921 2.477 1
1 273 . 3 1 1 A 29 29 THR H H 29 8.649 8.263 0.386 1
1 274 . 3 1 1 A 29 29 THR HA H 29 3.970 3.842 0.128 1
1 279 . 3 1 1 A 29 29 THR C C 29 177.377 176.192 1.185 1
1 280 . 3 1 1 A 29 29 THR CA C 29 66.593 66.489 0.104 1
1 281 . 3 1 1 A 29 29 THR CB C 29 68.457 68.511 -0.054 1
1 283 . 3 1 1 A 29 29 THR N N 29 116.386 113.874 2.512 1
1 284 . 3 1 1 A 30 30 THR H H 30 8.106 7.917 0.189 1
1 285 . 3 1 1 A 30 30 THR HA H 30 3.910 4.021 -0.111 1
1 290 . 3 1 1 A 30 30 THR C C 30 176.144 176.534 -0.390 1
1 291 . 3 1 1 A 30 30 THR CA C 30 66.260 66.006 0.254 1
1 292 . 3 1 1 A 30 30 THR CB C 30 68.792 68.818 -0.026 1
1 294 . 3 1 1 A 30 30 THR N N 30 117.533 116.006 1.527 1
1 295 . 3 1 1 A 31 31 HIS H H 31 7.341 7.587 -0.246 1
1 296 . 3 1 1 A 31 31 HIS HA H 31 4.205 4.238 -0.033 1
1 301 . 3 1 1 A 31 31 HIS C C 31 176.196 177.197 -1.001 1
1 302 . 3 1 1 A 31 31 HIS CA C 31 58.919 58.518 0.401 1
1 303 . 3 1 1 A 31 31 HIS CB C 31 28.268 30.018 -1.750 1
1 306 . 3 1 1 A 31 31 HIS N N 31 120.815 120.466 0.349 1
1 307 . 3 1 1 A 32 32 GLN H H 32 8.186 8.140 0.046 1
1 308 . 3 1 1 A 32 32 GLN HA H 32 3.562 3.908 -0.346 1
1 315 . 3 1 1 A 32 32 GLN C C 32 177.032 178.565 -1.533 1
1 316 . 3 1 1 A 32 32 GLN CA C 32 59.582 58.392 1.190 1
1 317 . 3 1 1 A 32 32 GLN CB C 32 28.457 28.579 -0.122 1
1 319 . 3 1 1 A 32 32 GLN N N 32 114.261 118.643 -4.382 1
1 321 . 3 1 1 A 33 33 VAL H H 33 6.965 7.530 -0.565 1
1 322 . 3 1 1 A 33 33 VAL HA H 33 3.868 3.925 -0.057 1
1 330 . 3 1 1 A 33 33 VAL C C 33 178.168 178.277 -0.109 1
1 331 . 3 1 1 A 33 33 VAL CA C 33 64.658 66.080 -1.422 1
1 332 . 3 1 1 A 33 33 VAL CB C 33 31.715 31.472 0.243 1
1 335 . 3 1 1 A 33 33 VAL N N 33 117.665 119.854 -2.189 1
1 336 . 3 1 1 A 34 34 ILE H H 34 7.621 7.372 0.249 1
1 337 . 3 1 1 A 34 34 ILE HA H 34 3.941 3.733 0.208 1
1 347 . 3 1 1 A 34 34 ILE C C 34 177.076 176.924 0.152 1
1 348 . 3 1 1 A 34 34 ILE CA C 34 63.207 63.966 -0.759 1
1 349 . 3 1 1 A 34 34 ILE CB C 34 37.688 37.230 0.458 1
1 353 . 3 1 1 A 34 34 ILE N N 34 117.372 117.322 0.050 1
1 354 . 3 1 1 A 35 35 HIS H H 35 7.253 7.811 -0.558 1
1 355 . 3 1 1 A 35 35 HIS HA H 35 4.908 4.473 0.435 1
1 360 . 3 1 1 A 35 35 HIS C C 35 175.795 175.278 0.517 1
1 361 . 3 1 1 A 35 35 HIS CA C 35 54.926 57.847 -2.921 1
1 362 . 3 1 1 A 35 35 HIS CB C 35 28.529 30.663 -2.134 1
1 365 . 3 1 1 A 35 35 HIS N N 35 117.505 119.644 -2.139 1
1 366 . 3 1 1 A 36 36 THR H H 36 7.827 7.720 0.107 1
1 367 . 3 1 1 A 36 36 THR HA H 36 4.331 4.417 -0.086 1
1 372 . 3 1 1 A 36 36 THR C C 36 175.532 174.062 1.470 1
1 373 . 3 1 1 A 36 36 THR CA C 36 63.020 61.342 1.678 1
1 374 . 3 1 1 A 36 36 THR CB C 36 69.891 70.440 -0.549 1
1 376 . 3 1 1 A 36 36 THR N N 36 112.717 111.554 1.163 1
1 377 . 3 1 1 A 37 37 GLY H H 37 8.358 8.333 0.025 1
1 378 . 3 1 1 A 37 37 GLY HA2 H 37 4.010 4.116 -0.106 1
1 379 . 3 1 1 A 37 37 GLY HA3 H 37 4.010 4.117 -0.107 1
1 380 . 3 1 1 A 37 37 GLY C C 37 174.222 172.638 1.584 1
1 381 . 3 1 1 A 37 37 GLY CA C 37 45.394 45.747 -0.353 1
1 382 . 3 1 1 A 37 37 GLY N N 37 110.814 108.965 1.849 1
1 383 . 3 1 1 A 38 38 GLU H H 38 8.119 8.658 -0.539 1
1 384 . 3 1 1 A 38 38 GLU HA H 38 4.233 4.158 0.075 1
1 389 . 3 1 1 A 38 38 GLU C C 38 176.521 176.223 0.298 1
1 390 . 3 1 1 A 38 38 GLU CA C 38 56.698 57.387 -0.689 1
1 391 . 3 1 1 A 38 38 GLU CB C 38 30.459 29.750 0.709 1
1 393 . 3 1 1 A 38 38 GLU N N 38 120.653 125.647 -4.994 1
1 394 . 3 1 1 A 39 39 LYS H H 39 8.372 8.604 -0.232 1
1 395 . 3 1 1 A 39 39 LYS HA H 39 4.325 4.267 0.058 1
1 404 . 3 1 1 A 39 39 LYS C C 39 176.520 176.594 -0.074 1
1 405 . 3 1 1 A 39 39 LYS CA C 39 56.254 56.449 -0.195 1
1 406 . 3 1 1 A 39 39 LYS CB C 39 32.719 32.970 -0.251 1
1 410 . 3 1 1 A 39 39 LYS N N 39 122.536 125.076 -2.540 1
1 411 . 3 1 1 A 40 40 ARG H H 40 8.435 8.517 -0.082 1
1 412 . 3 1 1 A 40 40 ARG HA H 40 4.407 4.486 -0.079 1
1 419 . 3 1 1 A 40 40 ARG C C 40 176.290 174.462 1.828 1
1 420 . 3 1 1 A 40 40 ARG CA C 40 56.011 55.429 0.582 1
1 421 . 3 1 1 A 40 40 ARG CB C 40 30.978 29.403 1.575 1
1 424 . 3 1 1 A 40 40 ARG N N 40 122.912 122.815 0.097 1
1 425 . 3 1 1 A 41 41 SER H H 41 8.428 8.255 0.173 1
1 426 . 3 1 1 A 41 41 SER HA H 41 4.507 5.051 -0.544 1
1 429 . 3 1 1 A 41 41 SER C C 41 174.450 173.854 0.596 1
1 430 . 3 1 1 A 41 41 SER CA C 41 58.208 57.336 0.872 1
1 431 . 3 1 1 A 41 41 SER CB C 41 64.046 66.707 -2.661 1
1 432 . 3 1 1 A 41 41 SER N N 41 117.335 121.496 -4.161 1
1 433 . 3 1 1 A 42 42 GLY H H 42 8.265 8.483 -0.218 1
1 434 . 3 1 1 A 42 42 GLY HA2 H 42 4.149 4.127 0.022 1
1 435 . 3 1 1 A 42 42 GLY HA3 H 42 4.115 4.127 -0.012 1
1 436 . 3 1 1 A 42 42 GLY C C 42 171.715 173.828 -2.113 1
1 437 . 3 1 1 A 42 42 GLY CA C 42 44.661 44.931 -0.270 1
1 438 . 3 1 1 A 42 42 GLY N N 42 110.713 110.939 -0.226 1
1 439 . 3 1 1 A 43 43 PRO HA H 43 4.476 4.561 -0.085 1
1 446 . 3 1 1 A 43 43 PRO C C 43 177.405 176.676 0.729 1
1 447 . 3 1 1 A 43 43 PRO CA C 43 63.215 63.563 -0.348 1
1 448 . 3 1 1 A 43 43 PRO CB C 43 32.224 32.115 0.109 1
1 451 . 3 1 1 A 44 44 SER H H 44 8.543 7.829 0.714 1
1 452 . 3 1 1 A 44 44 SER HA H 44 4.507 4.347 0.160 1
1 455 . 3 1 1 A 44 44 SER C C 44 174.588 174.948 -0.360 1
1 456 . 3 1 1 A 44 44 SER CA C 44 58.352 59.234 -0.882 1
1 457 . 3 1 1 A 44 44 SER CB C 44 63.989 63.371 0.618 1
1 458 . 3 1 1 A 44 44 SER N N 44 116.402 115.080 1.322 1
1 459 . 3 1 1 A 45 45 SER H H 45 8.318 8.868 -0.550 1
1 460 . 3 1 1 A 45 45 SER HA H 45 4.508 4.718 -0.210 1
1 463 . 3 1 1 A 45 45 SER C C 45 173.887 175.227 -1.340 1
1 464 . 3 1 1 A 45 45 SER CA C 45 58.286 57.397 0.889 1
1 465 . 3 1 1 A 45 45 SER CB C 45 64.037 63.468 0.569 1
1 466 . 3 1 1 A 45 45 SER N N 45 117.792 117.282 0.510 1
1 1 . 4 1 1 A 7 7 GLY HA2 H 7 3.998 4.099 -0.101 1
1 2 . 4 1 1 A 7 7 GLY HA3 H 7 3.998 4.102 -0.104 1
1 3 . 4 1 1 A 7 7 GLY C C 7 174.369 172.369 2.000 1
1 4 . 4 1 1 A 7 7 GLY CA C 7 45.413 45.806 -0.393 1
1 5 . 4 1 1 A 8 8 THR H H 8 8.058 8.952 -0.894 1
1 6 . 4 1 1 A 8 8 THR HA H 8 4.332 5.259 -0.927 1
1 11 . 4 1 1 A 8 8 THR C C 8 174.812 173.277 1.535 1
1 12 . 4 1 1 A 8 8 THR CA C 8 61.812 60.240 1.572 1
1 13 . 4 1 1 A 8 8 THR CB C 8 69.909 71.601 -1.692 1
1 15 . 4 1 1 A 8 8 THR N N 8 113.853 115.344 -1.491 1
1 16 . 4 1 1 A 9 9 LYS H H 9 8.368 8.613 -0.245 1
1 17 . 4 1 1 A 9 9 LYS HA H 9 4.234 4.883 -0.649 1
1 26 . 4 1 1 A 9 9 LYS C C 9 176.726 174.661 2.065 1
1 27 . 4 1 1 A 9 9 LYS CA C 9 56.616 54.816 1.800 1
1 28 . 4 1 1 A 9 9 LYS CB C 9 32.666 36.629 -3.963 1
1 32 . 4 1 1 A 9 9 LYS N N 9 122.996 120.962 2.034 1
1 33 . 4 1 1 A 10 10 GLU H H 10 8.247 8.622 -0.375 1
1 34 . 4 1 1 A 10 10 GLU HA H 10 4.120 4.413 -0.293 1
1 39 . 4 1 1 A 10 10 GLU C C 10 176.223 176.023 0.200 1
1 40 . 4 1 1 A 10 10 GLU CA C 10 57.320 56.274 1.046 1
1 41 . 4 1 1 A 10 10 GLU CB C 10 30.234 30.676 -0.442 1
1 43 . 4 1 1 A 10 10 GLU N N 10 120.550 122.361 -1.811 1
1 44 . 4 1 1 A 11 11 LYS H H 11 8.016 8.901 -0.885 1
1 45 . 4 1 1 A 11 11 LYS HA H 11 4.517 3.825 0.692 1
1 54 . 4 1 1 A 11 11 LYS C C 11 173.757 176.827 -3.070 1
1 55 . 4 1 1 A 11 11 LYS CA C 11 53.783 56.871 -3.088 1
1 56 . 4 1 1 A 11 11 LYS CB C 11 33.260 30.410 2.850 1
1 60 . 4 1 1 A 11 11 LYS N N 11 119.846 117.831 2.015 1
1 61 . 4 1 1 A 12 12 PRO HA H 12 4.272 4.538 -0.266 1
1 68 . 4 1 1 A 12 12 PRO C C 12 176.667 176.246 0.421 1
1 69 . 4 1 1 A 12 12 PRO CA C 12 63.412 65.436 -2.024 1
1 70 . 4 1 1 A 12 12 PRO CB C 12 32.362 31.879 0.483 1
1 73 . 4 1 1 A 13 13 TYR H H 13 7.801 7.577 0.224 1
1 74 . 4 1 1 A 13 13 TYR HA H 13 4.578 4.657 -0.079 1
1 81 . 4 1 1 A 13 13 TYR C C 13 174.321 174.950 -0.629 1
1 82 . 4 1 1 A 13 13 TYR CA C 13 57.814 58.603 -0.789 1
1 83 . 4 1 1 A 13 13 TYR CB C 13 38.437 38.531 -0.094 1
1 88 . 4 1 1 A 13 13 TYR N N 13 118.297 118.143 0.154 1
1 89 . 4 1 1 A 14 14 LYS H H 14 8.450 8.890 -0.440 1
1 90 . 4 1 1 A 14 14 LYS HA H 14 4.734 5.265 -0.531 1
1 99 . 4 1 1 A 14 14 LYS C C 14 174.596 175.638 -1.042 1
1 100 . 4 1 1 A 14 14 LYS CA C 14 55.254 54.425 0.829 1
1 101 . 4 1 1 A 14 14 LYS CB C 14 35.279 35.495 -0.216 1
1 105 . 4 1 1 A 14 14 LYS N N 14 125.533 125.294 0.239 1
1 106 . 4 1 1 A 15 15 CYS H H 15 9.186 8.987 0.199 1
1 107 . 4 1 1 A 15 15 CYS HA H 15 4.563 4.385 0.178 1
1 110 . 4 1 1 A 15 15 CYS C C 15 176.896 175.722 1.174 1
1 111 . 4 1 1 A 15 15 CYS CA C 15 58.735 59.215 -0.480 1
1 112 . 4 1 1 A 15 15 CYS CB C 15 29.404 28.469 0.935 1
1 113 . 4 1 1 A 15 15 CYS N N 15 126.149 125.504 0.645 1
1 114 . 4 1 1 A 16 16 TYR H H 16 9.138 7.971 1.167 1
1 115 . 4 1 1 A 16 16 TYR HA H 16 4.325 4.344 -0.019 1
1 122 . 4 1 1 A 16 16 TYR C C 16 176.155 177.761 -1.606 1
1 123 . 4 1 1 A 16 16 TYR CA C 16 60.508 60.959 -0.451 1
1 124 . 4 1 1 A 16 16 TYR CB C 16 37.564 37.416 0.148 1
1 129 . 4 1 1 A 16 16 TYR N N 16 130.571 126.186 4.385 1
1 130 . 4 1 1 A 17 17 GLU H H 17 8.405 8.161 0.244 1
1 131 . 4 1 1 A 17 17 GLU HA H 17 4.138 4.084 0.054 1
1 136 . 4 1 1 A 17 17 GLU C C 17 177.140 177.844 -0.704 1
1 137 . 4 1 1 A 17 17 GLU CA C 17 58.636 58.777 -0.141 1
1 138 . 4 1 1 A 17 17 GLU CB C 17 29.210 29.629 -0.419 1
1 140 . 4 1 1 A 17 17 GLU N N 17 120.856 120.428 0.428 1
1 141 . 4 1 1 A 18 18 CYS H H 18 7.766 8.004 -0.238 1
1 142 . 4 1 1 A 18 18 CYS HA H 18 5.158 4.680 0.478 1
1 145 . 4 1 1 A 18 18 CYS C C 18 176.122 175.660 0.462 1
1 146 . 4 1 1 A 18 18 CYS CA C 18 58.203 59.269 -1.066 1
1 147 . 4 1 1 A 18 18 CYS CB C 18 32.419 30.321 2.098 1
1 148 . 4 1 1 A 18 18 CYS N N 18 113.779 114.913 -1.134 1
1 149 . 4 1 1 A 19 19 GLY H H 19 8.233 8.265 -0.032 1
1 150 . 4 1 1 A 19 19 GLY HA2 H 19 3.693 4.081 -0.388 1
1 151 . 4 1 1 A 19 19 GLY HA3 H 19 4.262 4.101 0.161 1
1 152 . 4 1 1 A 19 19 GLY C C 19 173.845 174.760 -0.915 1
1 153 . 4 1 1 A 19 19 GLY CA C 19 46.274 45.043 1.231 1
1 154 . 4 1 1 A 19 19 GLY N N 19 113.979 110.085 3.894 1
1 155 . 4 1 1 A 20 20 LYS H H 20 7.886 7.413 0.473 1
1 156 . 4 1 1 A 20 20 LYS HA H 20 3.959 4.249 -0.290 1
1 165 . 4 1 1 A 20 20 LYS C C 20 173.244 175.097 -1.853 1
1 166 . 4 1 1 A 20 20 LYS CA C 20 58.013 56.150 1.863 1
1 167 . 4 1 1 A 20 20 LYS CB C 20 33.996 34.023 -0.027 1
1 171 . 4 1 1 A 20 20 LYS N N 20 122.721 120.295 2.426 1
1 172 . 4 1 1 A 21 21 ALA H H 21 7.714 7.712 0.002 1
1 173 . 4 1 1 A 21 21 ALA HA H 21 5.064 5.515 -0.451 1
1 177 . 4 1 1 A 21 21 ALA C C 21 175.915 174.817 1.098 1
1 178 . 4 1 1 A 21 21 ALA CA C 21 50.272 50.297 -0.025 1
1 179 . 4 1 1 A 21 21 ALA CB C 21 22.367 23.868 -1.501 1
1 180 . 4 1 1 A 21 21 ALA N N 21 122.778 119.988 2.790 1
1 181 . 4 1 1 A 22 22 PHE H H 22 8.686 8.724 -0.038 1
1 182 . 4 1 1 A 22 22 PHE HA H 22 4.724 4.801 -0.077 1
1 190 . 4 1 1 A 22 22 PHE C C 22 175.341 175.572 -0.231 1
1 191 . 4 1 1 A 22 22 PHE CA C 22 57.367 56.574 0.793 1
1 192 . 4 1 1 A 22 22 PHE CB C 22 43.930 43.142 0.788 1
1 198 . 4 1 1 A 22 22 PHE N N 22 116.150 116.316 -0.166 1
1 199 . 4 1 1 A 23 23 ARG H H 23 9.607 8.889 0.718 1
1 200 . 4 1 1 A 23 23 ARG HA H 23 4.514 4.117 0.397 1
1 207 . 4 1 1 A 23 23 ARG C C 23 176.305 176.343 -0.038 1
1 208 . 4 1 1 A 23 23 ARG CA C 23 58.710 59.184 -0.474 1
1 209 . 4 1 1 A 23 23 ARG CB C 23 32.010 30.691 1.319 1
1 212 . 4 1 1 A 23 23 ARG N N 23 120.730 122.776 -2.046 1
1 213 . 4 1 1 A 24 24 THR H H 24 7.231 7.700 -0.469 1
1 214 . 4 1 1 A 24 24 THR HA H 24 4.787 4.385 0.402 1
1 219 . 4 1 1 A 24 24 THR C C 24 173.868 175.264 -1.396 1
1 220 . 4 1 1 A 24 24 THR CA C 24 58.268 59.786 -1.518 1
1 221 . 4 1 1 A 24 24 THR CB C 24 72.469 70.746 1.723 1
1 223 . 4 1 1 A 24 24 THR N N 24 103.056 111.661 -8.605 1
1 224 . 4 1 1 A 25 25 ARG H H 25 8.333 8.799 -0.466 1
1 225 . 4 1 1 A 25 25 ARG HA H 25 4.787 4.107 0.680 1
1 232 . 4 1 1 A 25 25 ARG C C 25 178.700 178.025 0.675 1
1 233 . 4 1 1 A 25 25 ARG CA C 25 58.670 59.275 -0.605 1
1 234 . 4 1 1 A 25 25 ARG CB C 25 29.210 30.470 -1.260 1
1 237 . 4 1 1 A 25 25 ARG N N 25 123.788 123.036 0.752 1
1 238 . 4 1 1 A 26 26 SER HA H 26 4.136 4.069 0.067 1
1 241 . 4 1 1 A 26 26 SER C C 26 176.659 176.829 -0.170 1
1 242 . 4 1 1 A 26 26 SER CA C 26 61.194 61.317 -0.123 1
1 243 . 4 1 1 A 26 26 SER CB C 26 62.241 63.000 -0.759 1
1 244 . 4 1 1 A 26 26 SER N N 26 116.000 114.006 1.994 1
1 245 . 4 1 1 A 27 27 ASN H H 27 7.748 7.692 0.056 1
1 246 . 4 1 1 A 27 27 ASN HA H 27 4.390 4.421 -0.031 1
1 251 . 4 1 1 A 27 27 ASN C C 27 177.533 177.141 0.392 1
1 252 . 4 1 1 A 27 27 ASN CA C 27 55.425 56.081 -0.656 1
1 253 . 4 1 1 A 27 27 ASN CB C 27 38.124 38.942 -0.818 1
1 254 . 4 1 1 A 27 27 ASN N N 27 120.092 119.090 1.002 1
1 255 . 4 1 1 A 28 28 LEU H H 28 7.264 8.030 -0.766 1
1 256 . 4 1 1 A 28 28 LEU HA H 28 3.261 1.984 1.277 1
1 266 . 4 1 1 A 28 28 LEU C C 28 177.429 178.361 -0.932 1
1 267 . 4 1 1 A 28 28 LEU CA C 28 58.283 57.216 1.067 1
1 268 . 4 1 1 A 28 28 LEU CB C 28 40.483 41.574 -1.091 1
1 272 . 4 1 1 A 28 28 LEU N N 28 122.398 119.998 2.400 1
1 273 . 4 1 1 A 29 29 THR H H 29 8.649 8.166 0.483 1
1 274 . 4 1 1 A 29 29 THR HA H 29 3.970 3.808 0.162 1
1 279 . 4 1 1 A 29 29 THR C C 29 177.377 176.373 1.004 1
1 280 . 4 1 1 A 29 29 THR CA C 29 66.593 66.612 -0.019 1
1 281 . 4 1 1 A 29 29 THR CB C 29 68.457 68.661 -0.204 1
1 283 . 4 1 1 A 29 29 THR N N 29 116.386 114.006 2.380 1
1 284 . 4 1 1 A 30 30 THR H H 30 8.106 7.781 0.325 1
1 285 . 4 1 1 A 30 30 THR HA H 30 3.910 4.006 -0.096 1
1 290 . 4 1 1 A 30 30 THR C C 30 176.144 176.355 -0.211 1
1 291 . 4 1 1 A 30 30 THR CA C 30 66.260 65.737 0.523 1
1 292 . 4 1 1 A 30 30 THR CB C 30 68.792 68.931 -0.139 1
1 294 . 4 1 1 A 30 30 THR N N 30 117.533 115.804 1.729 1
1 295 . 4 1 1 A 31 31 HIS H H 31 7.341 7.455 -0.114 1
1 296 . 4 1 1 A 31 31 HIS HA H 31 4.205 4.288 -0.083 1
1 301 . 4 1 1 A 31 31 HIS C C 31 176.196 177.299 -1.103 1
1 302 . 4 1 1 A 31 31 HIS CA C 31 58.919 58.676 0.243 1
1 303 . 4 1 1 A 31 31 HIS CB C 31 28.268 30.079 -1.811 1
1 306 . 4 1 1 A 31 31 HIS N N 31 120.815 120.202 0.613 1
1 307 . 4 1 1 A 32 32 GLN H H 32 8.186 7.988 0.198 1
1 308 . 4 1 1 A 32 32 GLN HA H 32 3.562 3.966 -0.404 1
1 315 . 4 1 1 A 32 32 GLN C C 32 177.032 178.359 -1.327 1
1 316 . 4 1 1 A 32 32 GLN CA C 32 59.582 58.323 1.259 1
1 317 . 4 1 1 A 32 32 GLN CB C 32 28.457 28.621 -0.164 1
1 319 . 4 1 1 A 32 32 GLN N N 32 114.261 118.652 -4.391 1
1 321 . 4 1 1 A 33 33 VAL H H 33 6.965 7.482 -0.517 1
1 322 . 4 1 1 A 33 33 VAL HA H 33 3.868 3.888 -0.020 1
1 330 . 4 1 1 A 33 33 VAL C C 33 178.168 178.304 -0.136 1
1 331 . 4 1 1 A 33 33 VAL CA C 33 64.658 65.723 -1.065 1
1 332 . 4 1 1 A 33 33 VAL CB C 33 31.715 31.602 0.113 1
1 335 . 4 1 1 A 33 33 VAL N N 33 117.665 120.157 -2.492 1
1 336 . 4 1 1 A 34 34 ILE H H 34 7.621 7.369 0.252 1
1 337 . 4 1 1 A 34 34 ILE HA H 34 3.941 3.726 0.215 1
1 347 . 4 1 1 A 34 34 ILE C C 34 177.076 176.676 0.400 1
1 348 . 4 1 1 A 34 34 ILE CA C 34 63.207 64.101 -0.894 1
1 349 . 4 1 1 A 34 34 ILE CB C 34 37.688 37.057 0.631 1
1 353 . 4 1 1 A 34 34 ILE N N 34 117.372 116.961 0.411 1
1 354 . 4 1 1 A 35 35 HIS H H 35 7.253 7.707 -0.454 1
1 355 . 4 1 1 A 35 35 HIS HA H 35 4.908 4.481 0.427 1
1 360 . 4 1 1 A 35 35 HIS C C 35 175.795 175.815 -0.020 1
1 361 . 4 1 1 A 35 35 HIS CA C 35 54.926 57.941 -3.015 1
1 362 . 4 1 1 A 35 35 HIS CB C 35 28.529 30.538 -2.009 1
1 365 . 4 1 1 A 35 35 HIS N N 35 117.505 119.767 -2.262 1
1 366 . 4 1 1 A 36 36 THR H H 36 7.827 7.727 0.100 1
1 367 . 4 1 1 A 36 36 THR HA H 36 4.331 4.367 -0.036 1
1 372 . 4 1 1 A 36 36 THR C C 36 175.532 174.942 0.590 1
1 373 . 4 1 1 A 36 36 THR CA C 36 63.020 61.402 1.618 1
1 374 . 4 1 1 A 36 36 THR CB C 36 69.891 68.445 1.446 1
1 376 . 4 1 1 A 36 36 THR N N 36 112.717 107.608 5.109 1
1 377 . 4 1 1 A 37 37 GLY H H 37 8.358 8.289 0.069 1
1 378 . 4 1 1 A 37 37 GLY HA2 H 37 4.010 4.040 -0.030 1
1 379 . 4 1 1 A 37 37 GLY HA3 H 37 4.010 4.040 -0.030 1
1 380 . 4 1 1 A 37 37 GLY C C 37 174.222 174.353 -0.131 1
1 381 . 4 1 1 A 37 37 GLY CA C 37 45.394 44.459 0.935 1
1 382 . 4 1 1 A 37 37 GLY N N 37 110.814 111.074 -0.260 1
1 383 . 4 1 1 A 38 38 GLU H H 38 8.119 9.087 -0.968 1
1 384 . 4 1 1 A 38 38 GLU HA H 38 4.233 4.010 0.223 1
1 389 . 4 1 1 A 38 38 GLU C C 38 176.521 176.446 0.075 1
1 390 . 4 1 1 A 38 38 GLU CA C 38 56.698 57.822 -1.124 1
1 391 . 4 1 1 A 38 38 GLU CB C 38 30.459 28.188 2.271 1
1 393 . 4 1 1 A 38 38 GLU N N 38 120.653 117.466 3.187 1
1 394 . 4 1 1 A 39 39 LYS H H 39 8.372 8.647 -0.275 1
1 395 . 4 1 1 A 39 39 LYS HA H 39 4.325 3.997 0.328 1
1 404 . 4 1 1 A 39 39 LYS C C 39 176.520 175.916 0.604 1
1 405 . 4 1 1 A 39 39 LYS CA C 39 56.254 57.139 -0.885 1
1 406 . 4 1 1 A 39 39 LYS CB C 39 32.719 30.195 2.524 1
1 410 . 4 1 1 A 39 39 LYS N N 39 122.536 115.786 6.750 1
1 411 . 4 1 1 A 40 40 ARG H H 40 8.435 7.358 1.077 1
1 412 . 4 1 1 A 40 40 ARG HA H 40 4.407 4.685 -0.278 1
1 419 . 4 1 1 A 40 40 ARG C C 40 176.290 174.270 2.020 1
1 420 . 4 1 1 A 40 40 ARG CA C 40 56.011 54.828 1.183 1
1 421 . 4 1 1 A 40 40 ARG CB C 40 30.978 30.290 0.688 1
1 424 . 4 1 1 A 40 40 ARG N N 40 122.912 121.733 1.179 1
1 425 . 4 1 1 A 41 41 SER H H 41 8.428 8.464 -0.036 1
1 426 . 4 1 1 A 41 41 SER HA H 41 4.507 5.038 -0.531 1
1 429 . 4 1 1 A 41 41 SER C C 41 174.450 174.528 -0.078 1
1 430 . 4 1 1 A 41 41 SER CA C 41 58.208 56.437 1.771 1
1 431 . 4 1 1 A 41 41 SER CB C 41 64.046 66.278 -2.232 1
1 432 . 4 1 1 A 41 41 SER N N 41 117.335 116.719 0.616 1
1 433 . 4 1 1 A 42 42 GLY H H 42 8.265 8.452 -0.187 1
1 434 . 4 1 1 A 42 42 GLY HA2 H 42 4.149 4.111 0.038 1
1 435 . 4 1 1 A 42 42 GLY HA3 H 42 4.115 4.112 0.003 1
1 436 . 4 1 1 A 42 42 GLY C C 42 171.715 173.544 -1.829 1
1 437 . 4 1 1 A 42 42 GLY CA C 42 44.661 44.547 0.114 1
1 438 . 4 1 1 A 42 42 GLY N N 42 110.713 110.412 0.301 1
1 439 . 4 1 1 A 43 43 PRO HA H 43 4.476 4.476 0.000 1
1 446 . 4 1 1 A 43 43 PRO C C 43 177.405 176.402 1.003 1
1 447 . 4 1 1 A 43 43 PRO CA C 43 63.215 62.334 0.881 1
1 448 . 4 1 1 A 43 43 PRO CB C 43 32.224 32.749 -0.525 1
1 451 . 4 1 1 A 44 44 SER H H 44 8.543 8.818 -0.275 1
1 452 . 4 1 1 A 44 44 SER HA H 44 4.507 4.235 0.272 1
1 455 . 4 1 1 A 44 44 SER C C 44 174.588 175.607 -1.019 1
1 456 . 4 1 1 A 44 44 SER CA C 44 58.352 61.467 -3.115 1
1 457 . 4 1 1 A 44 44 SER CB C 44 63.989 62.861 1.128 1
1 458 . 4 1 1 A 44 44 SER N N 44 116.402 116.205 0.197 1
1 459 . 4 1 1 A 45 45 SER H H 45 8.318 7.836 0.482 1
1 460 . 4 1 1 A 45 45 SER HA H 45 4.508 4.478 0.030 1
1 463 . 4 1 1 A 45 45 SER C C 45 173.887 174.373 -0.486 1
1 464 . 4 1 1 A 45 45 SER CA C 45 58.286 57.297 0.989 1
1 465 . 4 1 1 A 45 45 SER CB C 45 64.037 62.515 1.522 1
1 466 . 4 1 1 A 45 45 SER N N 45 117.792 115.109 2.683 1
1 1 . 5 1 1 A 7 7 GLY HA2 H 7 3.998 4.229 -0.231 1
1 2 . 5 1 1 A 7 7 GLY HA3 H 7 3.998 4.232 -0.234 1
1 3 . 5 1 1 A 7 7 GLY C C 7 174.369 171.651 2.718 1
1 4 . 5 1 1 A 7 7 GLY CA C 7 45.413 46.224 -0.811 1
1 5 . 5 1 1 A 8 8 THR H H 8 8.058 8.268 -0.210 1
1 6 . 5 1 1 A 8 8 THR HA H 8 4.332 4.785 -0.453 1
1 11 . 5 1 1 A 8 8 THR C C 8 174.812 175.038 -0.226 1
1 12 . 5 1 1 A 8 8 THR CA C 8 61.812 60.360 1.452 1
1 13 . 5 1 1 A 8 8 THR CB C 8 69.909 70.259 -0.350 1
1 15 . 5 1 1 A 8 8 THR N N 8 113.853 114.680 -0.827 1
1 16 . 5 1 1 A 9 9 LYS H H 9 8.368 8.770 -0.402 1
1 17 . 5 1 1 A 9 9 LYS HA H 9 4.234 4.105 0.129 1
1 26 . 5 1 1 A 9 9 LYS C C 9 176.726 176.454 0.272 1
1 27 . 5 1 1 A 9 9 LYS CA C 9 56.616 59.077 -2.461 1
1 28 . 5 1 1 A 9 9 LYS CB C 9 32.666 33.018 -0.352 1
1 32 . 5 1 1 A 9 9 LYS N N 9 122.996 126.238 -3.242 1
1 33 . 5 1 1 A 10 10 GLU H H 10 8.247 8.086 0.161 1
1 34 . 5 1 1 A 10 10 GLU HA H 10 4.120 4.261 -0.141 1
1 39 . 5 1 1 A 10 10 GLU C C 10 176.223 176.910 -0.687 1
1 40 . 5 1 1 A 10 10 GLU CA C 10 57.320 55.181 2.139 1
1 41 . 5 1 1 A 10 10 GLU CB C 10 30.234 31.242 -1.008 1
1 43 . 5 1 1 A 10 10 GLU N N 10 120.550 119.865 0.685 1
1 44 . 5 1 1 A 11 11 LYS H H 11 8.016 8.855 -0.839 1
1 45 . 5 1 1 A 11 11 LYS HA H 11 4.517 3.867 0.650 1
1 54 . 5 1 1 A 11 11 LYS C C 11 173.757 176.647 -2.890 1
1 55 . 5 1 1 A 11 11 LYS CA C 11 53.783 56.687 -2.904 1
1 56 . 5 1 1 A 11 11 LYS CB C 11 33.260 29.945 3.315 1
1 60 . 5 1 1 A 11 11 LYS N N 11 119.846 121.337 -1.491 1
1 61 . 5 1 1 A 12 12 PRO HA H 12 4.272 4.580 -0.308 1
1 68 . 5 1 1 A 12 12 PRO C C 12 176.667 176.286 0.381 1
1 69 . 5 1 1 A 12 12 PRO CA C 12 63.412 65.259 -1.847 1
1 70 . 5 1 1 A 12 12 PRO CB C 12 32.362 31.927 0.435 1
1 73 . 5 1 1 A 13 13 TYR H H 13 7.801 7.674 0.127 1
1 74 . 5 1 1 A 13 13 TYR HA H 13 4.578 4.655 -0.077 1
1 81 . 5 1 1 A 13 13 TYR C C 13 174.321 174.913 -0.592 1
1 82 . 5 1 1 A 13 13 TYR CA C 13 57.814 58.287 -0.473 1
1 83 . 5 1 1 A 13 13 TYR CB C 13 38.437 38.533 -0.096 1
1 88 . 5 1 1 A 13 13 TYR N N 13 118.297 118.160 0.137 1
1 89 . 5 1 1 A 14 14 LYS H H 14 8.450 8.853 -0.403 1
1 90 . 5 1 1 A 14 14 LYS HA H 14 4.734 5.348 -0.614 1
1 99 . 5 1 1 A 14 14 LYS C C 14 174.596 175.573 -0.977 1
1 100 . 5 1 1 A 14 14 LYS CA C 14 55.254 54.428 0.826 1
1 101 . 5 1 1 A 14 14 LYS CB C 14 35.279 35.710 -0.431 1
1 105 . 5 1 1 A 14 14 LYS N N 14 125.533 125.693 -0.160 1
1 106 . 5 1 1 A 15 15 CYS H H 15 9.186 9.277 -0.091 1
1 107 . 5 1 1 A 15 15 CYS HA H 15 4.563 4.417 0.146 1
1 110 . 5 1 1 A 15 15 CYS C C 15 176.896 175.435 1.461 1
1 111 . 5 1 1 A 15 15 CYS CA C 15 58.735 58.562 0.173 1
1 112 . 5 1 1 A 15 15 CYS CB C 15 29.404 27.482 1.922 1
1 113 . 5 1 1 A 15 15 CYS N N 15 126.149 125.223 0.926 1
1 114 . 5 1 1 A 16 16 TYR H H 16 9.138 7.741 1.397 1
1 115 . 5 1 1 A 16 16 TYR HA H 16 4.325 4.300 0.025 1
1 122 . 5 1 1 A 16 16 TYR C C 16 176.155 177.847 -1.692 1
1 123 . 5 1 1 A 16 16 TYR CA C 16 60.508 61.035 -0.527 1
1 124 . 5 1 1 A 16 16 TYR CB C 16 37.564 37.757 -0.193 1
1 129 . 5 1 1 A 16 16 TYR N N 16 130.571 125.518 5.053 1
1 130 . 5 1 1 A 17 17 GLU H H 17 8.405 8.352 0.053 1
1 131 . 5 1 1 A 17 17 GLU HA H 17 4.138 4.078 0.060 1
1 136 . 5 1 1 A 17 17 GLU C C 17 177.140 177.821 -0.681 1
1 137 . 5 1 1 A 17 17 GLU CA C 17 58.636 58.900 -0.264 1
1 138 . 5 1 1 A 17 17 GLU CB C 17 29.210 29.486 -0.276 1
1 140 . 5 1 1 A 17 17 GLU N N 17 120.856 120.618 0.238 1
1 141 . 5 1 1 A 18 18 CYS H H 18 7.766 8.003 -0.237 1
1 142 . 5 1 1 A 18 18 CYS HA H 18 5.158 4.700 0.458 1
1 145 . 5 1 1 A 18 18 CYS C C 18 176.122 175.560 0.562 1
1 146 . 5 1 1 A 18 18 CYS CA C 18 58.203 59.620 -1.417 1
1 147 . 5 1 1 A 18 18 CYS CB C 18 32.419 30.046 2.373 1
1 148 . 5 1 1 A 18 18 CYS N N 18 113.779 114.796 -1.017 1
1 149 . 5 1 1 A 19 19 GLY H H 19 8.233 8.031 0.202 1
1 150 . 5 1 1 A 19 19 GLY HA2 H 19 3.693 4.105 -0.412 1
1 151 . 5 1 1 A 19 19 GLY HA3 H 19 4.262 4.123 0.139 1
1 152 . 5 1 1 A 19 19 GLY C C 19 173.845 174.496 -0.651 1
1 153 . 5 1 1 A 19 19 GLY CA C 19 46.274 44.923 1.351 1
1 154 . 5 1 1 A 19 19 GLY N N 19 113.979 109.819 4.160 1
1 155 . 5 1 1 A 20 20 LYS H H 20 7.886 7.350 0.536 1
1 156 . 5 1 1 A 20 20 LYS HA H 20 3.959 4.250 -0.291 1
1 165 . 5 1 1 A 20 20 LYS C C 20 173.244 175.092 -1.848 1
1 166 . 5 1 1 A 20 20 LYS CA C 20 58.013 56.068 1.945 1
1 167 . 5 1 1 A 20 20 LYS CB C 20 33.996 34.128 -0.132 1
1 171 . 5 1 1 A 20 20 LYS N N 20 122.721 120.076 2.645 1
1 172 . 5 1 1 A 21 21 ALA H H 21 7.714 7.655 0.059 1
1 173 . 5 1 1 A 21 21 ALA HA H 21 5.064 5.495 -0.431 1
1 177 . 5 1 1 A 21 21 ALA C C 21 175.915 174.880 1.035 1
1 178 . 5 1 1 A 21 21 ALA CA C 21 50.272 50.112 0.160 1
1 179 . 5 1 1 A 21 21 ALA CB C 21 22.367 23.827 -1.460 1
1 180 . 5 1 1 A 21 21 ALA N N 21 122.778 120.510 2.268 1
1 181 . 5 1 1 A 22 22 PHE H H 22 8.686 8.924 -0.238 1
1 182 . 5 1 1 A 22 22 PHE HA H 22 4.724 4.851 -0.127 1
1 190 . 5 1 1 A 22 22 PHE C C 22 175.341 175.575 -0.234 1
1 191 . 5 1 1 A 22 22 PHE CA C 22 57.367 56.523 0.844 1
1 192 . 5 1 1 A 22 22 PHE CB C 22 43.930 43.351 0.579 1
1 198 . 5 1 1 A 22 22 PHE N N 22 116.150 116.316 -0.166 1
1 199 . 5 1 1 A 23 23 ARG H H 23 9.607 8.901 0.706 1
1 200 . 5 1 1 A 23 23 ARG HA H 23 4.514 4.271 0.243 1
1 207 . 5 1 1 A 23 23 ARG C C 23 176.305 176.235 0.070 1
1 208 . 5 1 1 A 23 23 ARG CA C 23 58.710 58.272 0.438 1
1 209 . 5 1 1 A 23 23 ARG CB C 23 32.010 30.879 1.131 1
1 212 . 5 1 1 A 23 23 ARG N N 23 120.730 121.553 -0.823 1
1 213 . 5 1 1 A 24 24 THR H H 24 7.231 7.685 -0.454 1
1 214 . 5 1 1 A 24 24 THR HA H 24 4.787 4.313 0.474 1
1 219 . 5 1 1 A 24 24 THR C C 24 173.868 175.218 -1.350 1
1 220 . 5 1 1 A 24 24 THR CA C 24 58.268 59.072 -0.804 1
1 221 . 5 1 1 A 24 24 THR CB C 24 72.469 71.805 0.664 1
1 223 . 5 1 1 A 24 24 THR N N 24 103.056 111.738 -8.682 1
1 224 . 5 1 1 A 25 25 ARG H H 25 8.333 8.846 -0.513 1
1 225 . 5 1 1 A 25 25 ARG HA H 25 4.787 4.076 0.711 1
1 232 . 5 1 1 A 25 25 ARG C C 25 178.700 178.001 0.699 1
1 233 . 5 1 1 A 25 25 ARG CA C 25 58.670 60.200 -1.530 1
1 234 . 5 1 1 A 25 25 ARG CB C 25 29.210 30.512 -1.302 1
1 237 . 5 1 1 A 25 25 ARG N N 25 123.788 123.060 0.728 1
1 238 . 5 1 1 A 26 26 SER HA H 26 4.136 4.046 0.090 1
1 241 . 5 1 1 A 26 26 SER C C 26 176.659 177.115 -0.456 1
1 242 . 5 1 1 A 26 26 SER CA C 26 61.194 61.662 -0.468 1
1 243 . 5 1 1 A 26 26 SER CB C 26 62.241 63.047 -0.806 1
1 244 . 5 1 1 A 26 26 SER N N 26 116.000 113.847 2.153 1
1 245 . 5 1 1 A 27 27 ASN H H 27 7.748 7.955 -0.207 1
1 246 . 5 1 1 A 27 27 ASN HA H 27 4.390 4.446 -0.056 1
1 251 . 5 1 1 A 27 27 ASN C C 27 177.533 177.170 0.363 1
1 252 . 5 1 1 A 27 27 ASN CA C 27 55.425 56.183 -0.758 1
1 253 . 5 1 1 A 27 27 ASN CB C 27 38.124 40.000 -1.876 1
1 254 . 5 1 1 A 27 27 ASN N N 27 120.092 119.124 0.968 1
1 255 . 5 1 1 A 28 28 LEU H H 28 7.264 7.957 -0.693 1
1 256 . 5 1 1 A 28 28 LEU HA H 28 3.261 1.943 1.318 1
1 266 . 5 1 1 A 28 28 LEU C C 28 177.429 178.208 -0.779 1
1 267 . 5 1 1 A 28 28 LEU CA C 28 58.283 57.114 1.169 1
1 268 . 5 1 1 A 28 28 LEU CB C 28 40.483 41.651 -1.168 1
1 272 . 5 1 1 A 28 28 LEU N N 28 122.398 119.808 2.590 1
1 273 . 5 1 1 A 29 29 THR H H 29 8.649 8.240 0.409 1
1 274 . 5 1 1 A 29 29 THR HA H 29 3.970 3.827 0.143 1
1 279 . 5 1 1 A 29 29 THR C C 29 177.377 176.040 1.337 1
1 280 . 5 1 1 A 29 29 THR CA C 29 66.593 66.388 0.205 1
1 281 . 5 1 1 A 29 29 THR CB C 29 68.457 68.424 0.033 1
1 283 . 5 1 1 A 29 29 THR N N 29 116.386 113.814 2.572 1
1 284 . 5 1 1 A 30 30 THR H H 30 8.106 7.939 0.167 1
1 285 . 5 1 1 A 30 30 THR HA H 30 3.910 3.977 -0.067 1
1 290 . 5 1 1 A 30 30 THR C C 30 176.144 176.494 -0.350 1
1 291 . 5 1 1 A 30 30 THR CA C 30 66.260 66.206 0.054 1
1 292 . 5 1 1 A 30 30 THR CB C 30 68.792 68.727 0.065 1
1 294 . 5 1 1 A 30 30 THR N N 30 117.533 116.233 1.300 1
1 295 . 5 1 1 A 31 31 HIS H H 31 7.341 7.720 -0.379 1
1 296 . 5 1 1 A 31 31 HIS HA H 31 4.205 4.272 -0.067 1
1 301 . 5 1 1 A 31 31 HIS C C 31 176.196 177.078 -0.882 1
1 302 . 5 1 1 A 31 31 HIS CA C 31 58.919 58.618 0.301 1
1 303 . 5 1 1 A 31 31 HIS CB C 31 28.268 29.959 -1.691 1
1 306 . 5 1 1 A 31 31 HIS N N 31 120.815 120.759 0.056 1
1 307 . 5 1 1 A 32 32 GLN H H 32 8.186 8.022 0.164 1
1 308 . 5 1 1 A 32 32 GLN HA H 32 3.562 3.908 -0.346 1
1 315 . 5 1 1 A 32 32 GLN C C 32 177.032 178.621 -1.589 1
1 316 . 5 1 1 A 32 32 GLN CA C 32 59.582 58.407 1.175 1
1 317 . 5 1 1 A 32 32 GLN CB C 32 28.457 28.608 -0.151 1
1 319 . 5 1 1 A 32 32 GLN N N 32 114.261 118.636 -4.375 1
1 321 . 5 1 1 A 33 33 VAL H H 33 6.965 7.528 -0.563 1
1 322 . 5 1 1 A 33 33 VAL HA H 33 3.868 3.947 -0.079 1
1 330 . 5 1 1 A 33 33 VAL C C 33 178.168 178.289 -0.121 1
1 331 . 5 1 1 A 33 33 VAL CA C 33 64.658 66.082 -1.424 1
1 332 . 5 1 1 A 33 33 VAL CB C 33 31.715 31.471 0.244 1
1 335 . 5 1 1 A 33 33 VAL N N 33 117.665 119.666 -2.001 1
1 336 . 5 1 1 A 34 34 ILE H H 34 7.621 7.366 0.255 1
1 337 . 5 1 1 A 34 34 ILE HA H 34 3.941 3.730 0.211 1
1 347 . 5 1 1 A 34 34 ILE C C 34 177.076 177.074 0.002 1
1 348 . 5 1 1 A 34 34 ILE CA C 34 63.207 64.094 -0.887 1
1 349 . 5 1 1 A 34 34 ILE CB C 34 37.688 37.157 0.531 1
1 353 . 5 1 1 A 34 34 ILE N N 34 117.372 117.311 0.061 1
1 354 . 5 1 1 A 35 35 HIS H H 35 7.253 7.815 -0.562 1
1 355 . 5 1 1 A 35 35 HIS HA H 35 4.908 4.441 0.467 1
1 360 . 5 1 1 A 35 35 HIS C C 35 175.795 175.270 0.525 1
1 361 . 5 1 1 A 35 35 HIS CA C 35 54.926 57.972 -3.046 1
1 362 . 5 1 1 A 35 35 HIS CB C 35 28.529 30.855 -2.326 1
1 365 . 5 1 1 A 35 35 HIS N N 35 117.505 119.601 -2.096 1
1 366 . 5 1 1 A 36 36 THR H H 36 7.827 7.558 0.269 1
1 367 . 5 1 1 A 36 36 THR HA H 36 4.331 4.381 -0.050 1
1 372 . 5 1 1 A 36 36 THR C C 36 175.532 174.149 1.383 1
1 373 . 5 1 1 A 36 36 THR CA C 36 63.020 61.615 1.405 1
1 374 . 5 1 1 A 36 36 THR CB C 36 69.891 69.638 0.253 1
1 376 . 5 1 1 A 36 36 THR N N 36 112.717 110.961 1.756 1
1 377 . 5 1 1 A 37 37 GLY H H 37 8.358 8.554 -0.196 1
1 378 . 5 1 1 A 37 37 GLY HA2 H 37 4.010 4.186 -0.176 1
1 379 . 5 1 1 A 37 37 GLY HA3 H 37 4.010 4.190 -0.180 1
1 380 . 5 1 1 A 37 37 GLY C C 37 174.222 174.306 -0.084 1
1 381 . 5 1 1 A 37 37 GLY CA C 37 45.394 45.244 0.150 1
1 382 . 5 1 1 A 37 37 GLY N N 37 110.814 111.026 -0.212 1
1 383 . 5 1 1 A 38 38 GLU H H 38 8.119 8.719 -0.600 1
1 384 . 5 1 1 A 38 38 GLU HA H 38 4.233 4.515 -0.282 1
1 389 . 5 1 1 A 38 38 GLU C C 38 176.521 175.747 0.774 1
1 390 . 5 1 1 A 38 38 GLU CA C 38 56.698 57.781 -1.083 1
1 391 . 5 1 1 A 38 38 GLU CB C 38 30.459 31.871 -1.412 1
1 393 . 5 1 1 A 38 38 GLU N N 38 120.653 124.366 -3.713 1
1 394 . 5 1 1 A 39 39 LYS H H 39 8.372 8.015 0.357 1
1 395 . 5 1 1 A 39 39 LYS HA H 39 4.325 4.242 0.083 1
1 404 . 5 1 1 A 39 39 LYS C C 39 176.520 176.957 -0.437 1
1 405 . 5 1 1 A 39 39 LYS CA C 39 56.254 56.010 0.244 1
1 406 . 5 1 1 A 39 39 LYS CB C 39 32.719 33.476 -0.757 1
1 410 . 5 1 1 A 39 39 LYS N N 39 122.536 120.023 2.513 1
1 411 . 5 1 1 A 40 40 ARG H H 40 8.435 9.053 -0.618 1
1 412 . 5 1 1 A 40 40 ARG HA H 40 4.407 3.960 0.447 1
1 419 . 5 1 1 A 40 40 ARG C C 40 176.290 176.056 0.234 1
1 420 . 5 1 1 A 40 40 ARG CA C 40 56.011 57.090 -1.079 1
1 421 . 5 1 1 A 40 40 ARG CB C 40 30.978 29.185 1.793 1
1 424 . 5 1 1 A 40 40 ARG N N 40 122.912 126.144 -3.232 1
1 425 . 5 1 1 A 41 41 SER H H 41 8.428 7.864 0.564 1
1 426 . 5 1 1 A 41 41 SER HA H 41 4.507 4.203 0.304 1
1 429 . 5 1 1 A 41 41 SER C C 41 174.450 175.728 -1.278 1
1 430 . 5 1 1 A 41 41 SER CA C 41 58.208 60.025 -1.817 1
1 431 . 5 1 1 A 41 41 SER CB C 41 64.046 62.643 1.403 1
1 432 . 5 1 1 A 41 41 SER N N 41 117.335 115.049 2.286 1
1 433 . 5 1 1 A 42 42 GLY H H 42 8.265 8.925 -0.660 1
1 434 . 5 1 1 A 42 42 GLY HA2 H 42 4.149 3.887 0.262 1
1 435 . 5 1 1 A 42 42 GLY HA3 H 42 4.115 3.889 0.226 1
1 436 . 5 1 1 A 42 42 GLY C C 42 171.715 175.387 -3.672 1
1 437 . 5 1 1 A 42 42 GLY CA C 42 44.661 46.858 -2.197 1
1 438 . 5 1 1 A 42 42 GLY N N 42 110.713 115.516 -4.803 1
1 439 . 5 1 1 A 43 43 PRO HA H 43 4.476 4.442 0.034 1
1 446 . 5 1 1 A 43 43 PRO C C 43 177.405 176.163 1.242 1
1 447 . 5 1 1 A 43 43 PRO CA C 43 63.215 64.561 -1.346 1
1 448 . 5 1 1 A 43 43 PRO CB C 43 32.224 32.138 0.086 1
1 451 . 5 1 1 A 44 44 SER H H 44 8.543 7.692 0.851 1
1 452 . 5 1 1 A 44 44 SER HA H 44 4.507 4.440 0.067 1
1 455 . 5 1 1 A 44 44 SER C C 44 174.588 173.966 0.622 1
1 456 . 5 1 1 A 44 44 SER CA C 44 58.352 57.082 1.270 1
1 457 . 5 1 1 A 44 44 SER CB C 44 63.989 64.974 -0.985 1
1 458 . 5 1 1 A 44 44 SER N N 44 116.402 111.425 4.977 1
1 459 . 5 1 1 A 45 45 SER H H 45 8.318 8.692 -0.374 1
1 460 . 5 1 1 A 45 45 SER HA H 45 4.508 5.077 -0.569 1
1 463 . 5 1 1 A 45 45 SER C C 45 173.887 173.500 0.387 1
1 464 . 5 1 1 A 45 45 SER CA C 45 58.286 56.955 1.331 1
1 465 . 5 1 1 A 45 45 SER CB C 45 64.037 64.483 -0.446 1
1 466 . 5 1 1 A 45 45 SER N N 45 117.792 117.816 -0.024 1
1 1 . 6 1 1 A 7 7 GLY HA2 H 7 3.998 4.005 -0.007 1
1 2 . 6 1 1 A 7 7 GLY HA3 H 7 3.998 4.006 -0.008 1
1 3 . 6 1 1 A 7 7 GLY C C 7 174.369 174.520 -0.151 1
1 4 . 6 1 1 A 7 7 GLY CA C 7 45.413 45.494 -0.081 1
1 5 . 6 1 1 A 8 8 THR H H 8 8.058 7.904 0.154 1
1 6 . 6 1 1 A 8 8 THR HA H 8 4.332 4.348 -0.016 1
1 11 . 6 1 1 A 8 8 THR C C 8 174.812 174.579 0.233 1
1 12 . 6 1 1 A 8 8 THR CA C 8 61.812 61.733 0.079 1
1 13 . 6 1 1 A 8 8 THR CB C 8 69.909 68.416 1.493 1
1 15 . 6 1 1 A 8 8 THR N N 8 113.853 114.788 -0.935 1
1 16 . 6 1 1 A 9 9 LYS H H 9 8.368 8.145 0.223 1
1 17 . 6 1 1 A 9 9 LYS HA H 9 4.234 4.445 -0.211 1
1 26 . 6 1 1 A 9 9 LYS C C 9 176.726 176.471 0.255 1
1 27 . 6 1 1 A 9 9 LYS CA C 9 56.616 55.687 0.929 1
1 28 . 6 1 1 A 9 9 LYS CB C 9 32.666 33.764 -1.098 1
1 32 . 6 1 1 A 9 9 LYS N N 9 122.996 127.238 -4.242 1
1 33 . 6 1 1 A 10 10 GLU H H 10 8.247 8.474 -0.227 1
1 34 . 6 1 1 A 10 10 GLU HA H 10 4.120 4.489 -0.369 1
1 39 . 6 1 1 A 10 10 GLU C C 10 176.223 175.964 0.259 1
1 40 . 6 1 1 A 10 10 GLU CA C 10 57.320 56.038 1.282 1
1 41 . 6 1 1 A 10 10 GLU CB C 10 30.234 30.847 -0.613 1
1 43 . 6 1 1 A 10 10 GLU N N 10 120.550 120.794 -0.244 1
1 44 . 6 1 1 A 11 11 LYS H H 11 8.016 8.889 -0.873 1
1 45 . 6 1 1 A 11 11 LYS HA H 11 4.517 3.834 0.683 1
1 54 . 6 1 1 A 11 11 LYS C C 11 173.757 176.817 -3.060 1
1 55 . 6 1 1 A 11 11 LYS CA C 11 53.783 56.877 -3.094 1
1 56 . 6 1 1 A 11 11 LYS CB C 11 33.260 30.390 2.870 1
1 60 . 6 1 1 A 11 11 LYS N N 11 119.846 117.884 1.962 1
1 61 . 6 1 1 A 12 12 PRO HA H 12 4.272 4.538 -0.266 1
1 68 . 6 1 1 A 12 12 PRO C C 12 176.667 176.241 0.426 1
1 69 . 6 1 1 A 12 12 PRO CA C 12 63.412 65.443 -2.031 1
1 70 . 6 1 1 A 12 12 PRO CB C 12 32.362 31.888 0.474 1
1 73 . 6 1 1 A 13 13 TYR H H 13 7.801 7.657 0.144 1
1 74 . 6 1 1 A 13 13 TYR HA H 13 4.578 4.651 -0.073 1
1 81 . 6 1 1 A 13 13 TYR C C 13 174.321 174.947 -0.626 1
1 82 . 6 1 1 A 13 13 TYR CA C 13 57.814 58.424 -0.610 1
1 83 . 6 1 1 A 13 13 TYR CB C 13 38.437 38.525 -0.088 1
1 88 . 6 1 1 A 13 13 TYR N N 13 118.297 118.142 0.155 1
1 89 . 6 1 1 A 14 14 LYS H H 14 8.450 8.882 -0.432 1
1 90 . 6 1 1 A 14 14 LYS HA H 14 4.734 5.332 -0.598 1
1 99 . 6 1 1 A 14 14 LYS C C 14 174.596 175.635 -1.039 1
1 100 . 6 1 1 A 14 14 LYS CA C 14 55.254 54.422 0.832 1
1 101 . 6 1 1 A 14 14 LYS CB C 14 35.279 35.568 -0.289 1
1 105 . 6 1 1 A 14 14 LYS N N 14 125.533 125.374 0.159 1
1 106 . 6 1 1 A 15 15 CYS H H 15 9.186 8.947 0.239 1
1 107 . 6 1 1 A 15 15 CYS HA H 15 4.563 4.407 0.156 1
1 110 . 6 1 1 A 15 15 CYS C C 15 176.896 175.810 1.086 1
1 111 . 6 1 1 A 15 15 CYS CA C 15 58.735 59.157 -0.422 1
1 112 . 6 1 1 A 15 15 CYS CB C 15 29.404 28.364 1.040 1
1 113 . 6 1 1 A 15 15 CYS N N 15 126.149 125.341 0.808 1
1 114 . 6 1 1 A 16 16 TYR H H 16 9.138 7.974 1.164 1
1 115 . 6 1 1 A 16 16 TYR HA H 16 4.325 4.340 -0.015 1
1 122 . 6 1 1 A 16 16 TYR C C 16 176.155 177.910 -1.755 1
1 123 . 6 1 1 A 16 16 TYR CA C 16 60.508 60.931 -0.423 1
1 124 . 6 1 1 A 16 16 TYR CB C 16 37.564 37.617 -0.053 1
1 129 . 6 1 1 A 16 16 TYR N N 16 130.571 126.193 4.378 1
1 130 . 6 1 1 A 17 17 GLU H H 17 8.405 8.217 0.188 1
1 131 . 6 1 1 A 17 17 GLU HA H 17 4.138 4.097 0.041 1
1 136 . 6 1 1 A 17 17 GLU C C 17 177.140 177.889 -0.749 1
1 137 . 6 1 1 A 17 17 GLU CA C 17 58.636 58.785 -0.149 1
1 138 . 6 1 1 A 17 17 GLU CB C 17 29.210 29.581 -0.371 1
1 140 . 6 1 1 A 17 17 GLU N N 17 120.856 120.438 0.418 1
1 141 . 6 1 1 A 18 18 CYS H H 18 7.766 7.945 -0.179 1
1 142 . 6 1 1 A 18 18 CYS HA H 18 5.158 4.693 0.465 1
1 145 . 6 1 1 A 18 18 CYS C C 18 176.122 175.664 0.458 1
1 146 . 6 1 1 A 18 18 CYS CA C 18 58.203 59.261 -1.058 1
1 147 . 6 1 1 A 18 18 CYS CB C 18 32.419 30.321 2.098 1
1 148 . 6 1 1 A 18 18 CYS N N 18 113.779 114.925 -1.146 1
1 149 . 6 1 1 A 19 19 GLY H H 19 8.233 8.274 -0.041 1
1 150 . 6 1 1 A 19 19 GLY HA2 H 19 3.693 4.083 -0.390 1
1 151 . 6 1 1 A 19 19 GLY HA3 H 19 4.262 4.105 0.157 1
1 152 . 6 1 1 A 19 19 GLY C C 19 173.845 174.729 -0.884 1
1 153 . 6 1 1 A 19 19 GLY CA C 19 46.274 45.045 1.229 1
1 154 . 6 1 1 A 19 19 GLY N N 19 113.979 110.087 3.892 1
1 155 . 6 1 1 A 20 20 LYS H H 20 7.886 7.456 0.430 1
1 156 . 6 1 1 A 20 20 LYS HA H 20 3.959 4.243 -0.284 1
1 165 . 6 1 1 A 20 20 LYS C C 20 173.244 175.083 -1.839 1
1 166 . 6 1 1 A 20 20 LYS CA C 20 58.013 56.214 1.799 1
1 167 . 6 1 1 A 20 20 LYS CB C 20 33.996 34.036 -0.040 1
1 171 . 6 1 1 A 20 20 LYS N N 20 122.721 120.508 2.213 1
1 172 . 6 1 1 A 21 21 ALA H H 21 7.714 7.688 0.026 1
1 173 . 6 1 1 A 21 21 ALA HA H 21 5.064 5.506 -0.442 1
1 177 . 6 1 1 A 21 21 ALA C C 21 175.915 174.797 1.118 1
1 178 . 6 1 1 A 21 21 ALA CA C 21 50.272 50.270 0.002 1
1 179 . 6 1 1 A 21 21 ALA CB C 21 22.367 23.841 -1.474 1
1 180 . 6 1 1 A 21 21 ALA N N 21 122.778 119.971 2.807 1
1 181 . 6 1 1 A 22 22 PHE H H 22 8.686 8.841 -0.155 1
1 182 . 6 1 1 A 22 22 PHE HA H 22 4.724 4.802 -0.078 1
1 190 . 6 1 1 A 22 22 PHE C C 22 175.341 175.584 -0.243 1
1 191 . 6 1 1 A 22 22 PHE CA C 22 57.367 56.576 0.791 1
1 192 . 6 1 1 A 22 22 PHE CB C 22 43.930 43.050 0.880 1
1 198 . 6 1 1 A 22 22 PHE N N 22 116.150 116.421 -0.271 1
1 199 . 6 1 1 A 23 23 ARG H H 23 9.607 8.813 0.794 1
1 200 . 6 1 1 A 23 23 ARG HA H 23 4.514 4.123 0.391 1
1 207 . 6 1 1 A 23 23 ARG C C 23 176.305 176.326 -0.021 1
1 208 . 6 1 1 A 23 23 ARG CA C 23 58.710 59.180 -0.470 1
1 209 . 6 1 1 A 23 23 ARG CB C 23 32.010 30.590 1.420 1
1 212 . 6 1 1 A 23 23 ARG N N 23 120.730 122.784 -2.054 1
1 213 . 6 1 1 A 24 24 THR H H 24 7.231 7.683 -0.452 1
1 214 . 6 1 1 A 24 24 THR HA H 24 4.787 4.253 0.534 1
1 219 . 6 1 1 A 24 24 THR C C 24 173.868 174.978 -1.110 1
1 220 . 6 1 1 A 24 24 THR CA C 24 58.268 59.471 -1.203 1
1 221 . 6 1 1 A 24 24 THR CB C 24 72.469 70.940 1.529 1
1 223 . 6 1 1 A 24 24 THR N N 24 103.056 111.711 -8.655 1
1 224 . 6 1 1 A 25 25 ARG H H 25 8.333 8.733 -0.400 1
1 225 . 6 1 1 A 25 25 ARG HA H 25 4.787 4.119 0.668 1
1 232 . 6 1 1 A 25 25 ARG C C 25 178.700 177.555 1.145 1
1 233 . 6 1 1 A 25 25 ARG CA C 25 58.670 59.467 -0.797 1
1 234 . 6 1 1 A 25 25 ARG CB C 25 29.210 30.398 -1.188 1
1 237 . 6 1 1 A 25 25 ARG N N 25 123.788 122.943 0.845 1
1 238 . 6 1 1 A 26 26 SER HA H 26 4.136 4.058 0.078 1
1 241 . 6 1 1 A 26 26 SER C C 26 176.659 176.798 -0.139 1
1 242 . 6 1 1 A 26 26 SER CA C 26 61.194 61.408 -0.214 1
1 243 . 6 1 1 A 26 26 SER CB C 26 62.241 62.979 -0.738 1
1 244 . 6 1 1 A 26 26 SER N N 26 116.000 114.036 1.964 1
1 245 . 6 1 1 A 27 27 ASN H H 27 7.748 7.692 0.056 1
1 246 . 6 1 1 A 27 27 ASN HA H 27 4.390 4.425 -0.035 1
1 251 . 6 1 1 A 27 27 ASN C C 27 177.533 176.944 0.589 1
1 252 . 6 1 1 A 27 27 ASN CA C 27 55.425 55.960 -0.535 1
1 253 . 6 1 1 A 27 27 ASN CB C 27 38.124 39.010 -0.886 1
1 254 . 6 1 1 A 27 27 ASN N N 27 120.092 118.921 1.171 1
1 255 . 6 1 1 A 28 28 LEU H H 28 7.264 7.916 -0.652 1
1 256 . 6 1 1 A 28 28 LEU HA H 28 3.261 1.916 1.345 1
1 266 . 6 1 1 A 28 28 LEU C C 28 177.429 178.275 -0.846 1
1 267 . 6 1 1 A 28 28 LEU CA C 28 58.283 57.195 1.088 1
1 268 . 6 1 1 A 28 28 LEU CB C 28 40.483 41.567 -1.084 1
1 272 . 6 1 1 A 28 28 LEU N N 28 122.398 120.097 2.301 1
1 273 . 6 1 1 A 29 29 THR H H 29 8.649 8.124 0.525 1
1 274 . 6 1 1 A 29 29 THR HA H 29 3.970 3.835 0.135 1
1 279 . 6 1 1 A 29 29 THR C C 29 177.377 176.264 1.113 1
1 280 . 6 1 1 A 29 29 THR CA C 29 66.593 66.419 0.174 1
1 281 . 6 1 1 A 29 29 THR CB C 29 68.457 68.537 -0.080 1
1 283 . 6 1 1 A 29 29 THR N N 29 116.386 113.825 2.561 1
1 284 . 6 1 1 A 30 30 THR H H 30 8.106 7.673 0.433 1
1 285 . 6 1 1 A 30 30 THR HA H 30 3.910 4.030 -0.120 1
1 290 . 6 1 1 A 30 30 THR C C 30 176.144 176.271 -0.127 1
1 291 . 6 1 1 A 30 30 THR CA C 30 66.260 65.522 0.738 1
1 292 . 6 1 1 A 30 30 THR CB C 30 68.792 68.934 -0.142 1
1 294 . 6 1 1 A 30 30 THR N N 30 117.533 115.874 1.659 1
1 295 . 6 1 1 A 31 31 HIS H H 31 7.341 7.659 -0.318 1
1 296 . 6 1 1 A 31 31 HIS HA H 31 4.205 4.298 -0.093 1
1 301 . 6 1 1 A 31 31 HIS C C 31 176.196 177.278 -1.082 1
1 302 . 6 1 1 A 31 31 HIS CA C 31 58.919 58.706 0.213 1
1 303 . 6 1 1 A 31 31 HIS CB C 31 28.268 30.132 -1.864 1
1 306 . 6 1 1 A 31 31 HIS N N 31 120.815 120.192 0.623 1
1 307 . 6 1 1 A 32 32 GLN H H 32 8.186 8.029 0.157 1
1 308 . 6 1 1 A 32 32 GLN HA H 32 3.562 3.916 -0.354 1
1 315 . 6 1 1 A 32 32 GLN C C 32 177.032 178.358 -1.326 1
1 316 . 6 1 1 A 32 32 GLN CA C 32 59.582 58.316 1.266 1
1 317 . 6 1 1 A 32 32 GLN CB C 32 28.457 28.538 -0.081 1
1 319 . 6 1 1 A 32 32 GLN N N 32 114.261 118.475 -4.214 1
1 321 . 6 1 1 A 33 33 VAL H H 33 6.965 7.576 -0.611 1
1 322 . 6 1 1 A 33 33 VAL HA H 33 3.868 3.904 -0.036 1
1 330 . 6 1 1 A 33 33 VAL C C 33 178.168 178.347 -0.179 1
1 331 . 6 1 1 A 33 33 VAL CA C 33 64.658 65.867 -1.209 1
1 332 . 6 1 1 A 33 33 VAL CB C 33 31.715 31.544 0.171 1
1 335 . 6 1 1 A 33 33 VAL N N 33 117.665 120.148 -2.483 1
1 336 . 6 1 1 A 34 34 ILE H H 34 7.621 7.399 0.222 1
1 337 . 6 1 1 A 34 34 ILE HA H 34 3.941 3.736 0.205 1
1 347 . 6 1 1 A 34 34 ILE C C 34 177.076 176.737 0.339 1
1 348 . 6 1 1 A 34 34 ILE CA C 34 63.207 64.067 -0.860 1
1 349 . 6 1 1 A 34 34 ILE CB C 34 37.688 37.252 0.436 1
1 353 . 6 1 1 A 34 34 ILE N N 34 117.372 116.975 0.397 1
1 354 . 6 1 1 A 35 35 HIS H H 35 7.253 7.605 -0.352 1
1 355 . 6 1 1 A 35 35 HIS HA H 35 4.908 4.476 0.432 1
1 360 . 6 1 1 A 35 35 HIS C C 35 175.795 175.158 0.637 1
1 361 . 6 1 1 A 35 35 HIS CA C 35 54.926 57.415 -2.489 1
1 362 . 6 1 1 A 35 35 HIS CB C 35 28.529 30.377 -1.848 1
1 365 . 6 1 1 A 35 35 HIS N N 35 117.505 119.581 -2.076 1
1 366 . 6 1 1 A 36 36 THR H H 36 7.827 7.550 0.277 1
1 367 . 6 1 1 A 36 36 THR HA H 36 4.331 4.377 -0.046 1
1 372 . 6 1 1 A 36 36 THR C C 36 175.532 175.064 0.468 1
1 373 . 6 1 1 A 36 36 THR CA C 36 63.020 60.395 2.625 1
1 374 . 6 1 1 A 36 36 THR CB C 36 69.891 70.054 -0.163 1
1 376 . 6 1 1 A 36 36 THR N N 36 112.717 110.945 1.772 1
1 377 . 6 1 1 A 37 37 GLY H H 37 8.358 8.482 -0.124 1
1 378 . 6 1 1 A 37 37 GLY HA2 H 37 4.010 3.985 0.025 1
1 379 . 6 1 1 A 37 37 GLY HA3 H 37 4.010 3.988 0.022 1
1 380 . 6 1 1 A 37 37 GLY C C 37 174.222 175.216 -0.994 1
1 381 . 6 1 1 A 37 37 GLY CA C 37 45.394 45.897 -0.503 1
1 382 . 6 1 1 A 37 37 GLY N N 37 110.814 108.906 1.908 1
1 383 . 6 1 1 A 38 38 GLU H H 38 8.119 8.690 -0.571 1
1 384 . 6 1 1 A 38 38 GLU HA H 38 4.233 4.444 -0.211 1
1 389 . 6 1 1 A 38 38 GLU C C 38 176.521 175.404 1.117 1
1 390 . 6 1 1 A 38 38 GLU CA C 38 56.698 55.997 0.701 1
1 391 . 6 1 1 A 38 38 GLU CB C 38 30.459 29.147 1.312 1
1 393 . 6 1 1 A 38 38 GLU N N 38 120.653 122.002 -1.349 1
1 394 . 6 1 1 A 39 39 LYS H H 39 8.372 7.447 0.925 1
1 395 . 6 1 1 A 39 39 LYS HA H 39 4.325 4.674 -0.349 1
1 404 . 6 1 1 A 39 39 LYS C C 39 176.520 174.461 2.059 1
1 405 . 6 1 1 A 39 39 LYS CA C 39 56.254 55.941 0.313 1
1 406 . 6 1 1 A 39 39 LYS CB C 39 32.719 35.890 -3.171 1
1 410 . 6 1 1 A 39 39 LYS N N 39 122.536 120.477 2.059 1
1 411 . 6 1 1 A 40 40 ARG H H 40 8.435 8.534 -0.099 1
1 412 . 6 1 1 A 40 40 ARG HA H 40 4.407 4.398 0.009 1
1 419 . 6 1 1 A 40 40 ARG C C 40 176.290 175.119 1.171 1
1 420 . 6 1 1 A 40 40 ARG CA C 40 56.011 55.320 0.691 1
1 421 . 6 1 1 A 40 40 ARG CB C 40 30.978 28.832 2.146 1
1 424 . 6 1 1 A 40 40 ARG N N 40 122.912 127.414 -4.502 1
1 425 . 6 1 1 A 41 41 SER H H 41 8.428 7.685 0.743 1
1 426 . 6 1 1 A 41 41 SER HA H 41 4.507 5.085 -0.578 1
1 429 . 6 1 1 A 41 41 SER C C 41 174.450 173.661 0.789 1
1 430 . 6 1 1 A 41 41 SER CA C 41 58.208 57.213 0.995 1
1 431 . 6 1 1 A 41 41 SER CB C 41 64.046 64.712 -0.666 1
1 432 . 6 1 1 A 41 41 SER N N 41 117.335 117.276 0.059 1
1 433 . 6 1 1 A 42 42 GLY H H 42 8.265 8.611 -0.346 1
1 434 . 6 1 1 A 42 42 GLY HA2 H 42 4.149 4.367 -0.218 1
1 435 . 6 1 1 A 42 42 GLY HA3 H 42 4.115 4.367 -0.252 1
1 436 . 6 1 1 A 42 42 GLY C C 42 171.715 174.120 -2.405 1
1 437 . 6 1 1 A 42 42 GLY CA C 42 44.661 44.663 -0.002 1
1 438 . 6 1 1 A 42 42 GLY N N 42 110.713 112.549 -1.836 1
1 439 . 6 1 1 A 43 43 PRO HA H 43 4.476 4.257 0.219 1
1 446 . 6 1 1 A 43 43 PRO C C 43 177.405 178.372 -0.967 1
1 447 . 6 1 1 A 43 43 PRO CA C 43 63.215 65.143 -1.928 1
1 448 . 6 1 1 A 43 43 PRO CB C 43 32.224 32.047 0.177 1
1 451 . 6 1 1 A 44 44 SER H H 44 8.543 7.775 0.768 1
1 452 . 6 1 1 A 44 44 SER HA H 44 4.507 4.477 0.030 1
1 455 . 6 1 1 A 44 44 SER C C 44 174.588 174.249 0.339 1
1 456 . 6 1 1 A 44 44 SER CA C 44 58.352 61.023 -2.671 1
1 457 . 6 1 1 A 44 44 SER CB C 44 63.989 64.117 -0.128 1
1 458 . 6 1 1 A 44 44 SER N N 44 116.402 113.074 3.328 1
1 459 . 6 1 1 A 45 45 SER H H 45 8.318 8.051 0.267 1
1 460 . 6 1 1 A 45 45 SER HA H 45 4.508 4.240 0.268 1
1 463 . 6 1 1 A 45 45 SER C C 45 173.887 173.788 0.099 1
1 464 . 6 1 1 A 45 45 SER CA C 45 58.286 59.395 -1.109 1
1 465 . 6 1 1 A 45 45 SER CB C 45 64.037 61.255 2.782 1
1 466 . 6 1 1 A 45 45 SER N N 45 117.792 113.324 4.468 1
1 1 . 7 1 1 A 7 7 GLY HA2 H 7 3.998 4.251 -0.253 1
1 2 . 7 1 1 A 7 7 GLY HA3 H 7 3.998 4.252 -0.254 1
1 3 . 7 1 1 A 7 7 GLY C C 7 174.369 173.958 0.411 1
1 4 . 7 1 1 A 7 7 GLY CA C 7 45.413 44.546 0.867 1
1 5 . 7 1 1 A 8 8 THR H H 8 8.058 8.470 -0.412 1
1 6 . 7 1 1 A 8 8 THR HA H 8 4.332 4.281 0.051 1
1 11 . 7 1 1 A 8 8 THR C C 8 174.812 173.880 0.932 1
1 12 . 7 1 1 A 8 8 THR CA C 8 61.812 62.829 -1.017 1
1 13 . 7 1 1 A 8 8 THR CB C 8 69.909 69.355 0.554 1
1 15 . 7 1 1 A 8 8 THR N N 8 113.853 112.841 1.012 1
1 16 . 7 1 1 A 9 9 LYS H H 9 8.368 8.745 -0.377 1
1 17 . 7 1 1 A 9 9 LYS HA H 9 4.234 4.633 -0.399 1
1 26 . 7 1 1 A 9 9 LYS C C 9 176.726 175.832 0.894 1
1 27 . 7 1 1 A 9 9 LYS CA C 9 56.616 56.235 0.381 1
1 28 . 7 1 1 A 9 9 LYS CB C 9 32.666 32.957 -0.291 1
1 32 . 7 1 1 A 9 9 LYS N N 9 122.996 125.398 -2.402 1
1 33 . 7 1 1 A 10 10 GLU H H 10 8.247 8.414 -0.167 1
1 34 . 7 1 1 A 10 10 GLU HA H 10 4.120 4.753 -0.633 1
1 39 . 7 1 1 A 10 10 GLU C C 10 176.223 175.048 1.175 1
1 40 . 7 1 1 A 10 10 GLU CA C 10 57.320 55.152 2.168 1
1 41 . 7 1 1 A 10 10 GLU CB C 10 30.234 32.115 -1.881 1
1 43 . 7 1 1 A 10 10 GLU N N 10 120.550 125.143 -4.593 1
1 44 . 7 1 1 A 11 11 LYS H H 11 8.016 8.791 -0.775 1
1 45 . 7 1 1 A 11 11 LYS HA H 11 4.517 3.828 0.689 1
1 54 . 7 1 1 A 11 11 LYS C C 11 173.757 176.814 -3.057 1
1 55 . 7 1 1 A 11 11 LYS CA C 11 53.783 56.856 -3.073 1
1 56 . 7 1 1 A 11 11 LYS CB C 11 33.260 30.438 2.822 1
1 60 . 7 1 1 A 11 11 LYS N N 11 119.846 118.773 1.073 1
1 61 . 7 1 1 A 12 12 PRO HA H 12 4.272 4.589 -0.317 1
1 68 . 7 1 1 A 12 12 PRO C C 12 176.667 176.239 0.428 1
1 69 . 7 1 1 A 12 12 PRO CA C 12 63.412 65.243 -1.831 1
1 70 . 7 1 1 A 12 12 PRO CB C 12 32.362 31.944 0.418 1
1 73 . 7 1 1 A 13 13 TYR H H 13 7.801 7.593 0.208 1
1 74 . 7 1 1 A 13 13 TYR HA H 13 4.578 4.699 -0.121 1
1 81 . 7 1 1 A 13 13 TYR C C 13 174.321 174.883 -0.562 1
1 82 . 7 1 1 A 13 13 TYR CA C 13 57.814 58.038 -0.224 1
1 83 . 7 1 1 A 13 13 TYR CB C 13 38.437 38.827 -0.390 1
1 88 . 7 1 1 A 13 13 TYR N N 13 118.297 117.993 0.304 1
1 89 . 7 1 1 A 14 14 LYS H H 14 8.450 8.871 -0.421 1
1 90 . 7 1 1 A 14 14 LYS HA H 14 4.734 5.328 -0.594 1
1 99 . 7 1 1 A 14 14 LYS C C 14 174.596 175.689 -1.093 1
1 100 . 7 1 1 A 14 14 LYS CA C 14 55.254 54.364 0.890 1
1 101 . 7 1 1 A 14 14 LYS CB C 14 35.279 35.709 -0.430 1
1 105 . 7 1 1 A 14 14 LYS N N 14 125.533 125.386 0.147 1
1 106 . 7 1 1 A 15 15 CYS H H 15 9.186 9.217 -0.031 1
1 107 . 7 1 1 A 15 15 CYS HA H 15 4.563 4.423 0.140 1
1 110 . 7 1 1 A 15 15 CYS C C 15 176.896 175.530 1.366 1
1 111 . 7 1 1 A 15 15 CYS CA C 15 58.735 59.026 -0.291 1
1 112 . 7 1 1 A 15 15 CYS CB C 15 29.404 28.239 1.165 1
1 113 . 7 1 1 A 15 15 CYS N N 15 126.149 125.187 0.962 1
1 114 . 7 1 1 A 16 16 TYR H H 16 9.138 7.915 1.223 1
1 115 . 7 1 1 A 16 16 TYR HA H 16 4.325 4.326 -0.001 1
1 122 . 7 1 1 A 16 16 TYR C C 16 176.155 177.833 -1.678 1
1 123 . 7 1 1 A 16 16 TYR CA C 16 60.508 60.967 -0.459 1
1 124 . 7 1 1 A 16 16 TYR CB C 16 37.564 37.621 -0.057 1
1 129 . 7 1 1 A 16 16 TYR N N 16 130.571 126.144 4.427 1
1 130 . 7 1 1 A 17 17 GLU H H 17 8.405 8.210 0.195 1
1 131 . 7 1 1 A 17 17 GLU HA H 17 4.138 4.071 0.067 1
1 136 . 7 1 1 A 17 17 GLU C C 17 177.140 177.869 -0.729 1
1 137 . 7 1 1 A 17 17 GLU CA C 17 58.636 58.765 -0.129 1
1 138 . 7 1 1 A 17 17 GLU CB C 17 29.210 29.468 -0.258 1
1 140 . 7 1 1 A 17 17 GLU N N 17 120.856 120.431 0.425 1
1 141 . 7 1 1 A 18 18 CYS H H 18 7.766 7.920 -0.154 1
1 142 . 7 1 1 A 18 18 CYS HA H 18 5.158 4.701 0.457 1
1 145 . 7 1 1 A 18 18 CYS C C 18 176.122 175.665 0.457 1
1 146 . 7 1 1 A 18 18 CYS CA C 18 58.203 59.319 -1.116 1
1 147 . 7 1 1 A 18 18 CYS CB C 18 32.419 30.193 2.226 1
1 148 . 7 1 1 A 18 18 CYS N N 18 113.779 114.935 -1.156 1
1 149 . 7 1 1 A 19 19 GLY H H 19 8.233 8.166 0.067 1
1 150 . 7 1 1 A 19 19 GLY HA2 H 19 3.693 4.098 -0.405 1
1 151 . 7 1 1 A 19 19 GLY HA3 H 19 4.262 4.117 0.145 1
1 152 . 7 1 1 A 19 19 GLY C C 19 173.845 174.728 -0.883 1
1 153 . 7 1 1 A 19 19 GLY CA C 19 46.274 45.019 1.255 1
1 154 . 7 1 1 A 19 19 GLY N N 19 113.979 110.083 3.896 1
1 155 . 7 1 1 A 20 20 LYS H H 20 7.886 7.402 0.484 1
1 156 . 7 1 1 A 20 20 LYS HA H 20 3.959 4.268 -0.309 1
1 165 . 7 1 1 A 20 20 LYS C C 20 173.244 175.110 -1.866 1
1 166 . 7 1 1 A 20 20 LYS CA C 20 58.013 56.032 1.981 1
1 167 . 7 1 1 A 20 20 LYS CB C 20 33.996 34.157 -0.161 1
1 171 . 7 1 1 A 20 20 LYS N N 20 122.721 120.154 2.567 1
1 172 . 7 1 1 A 21 21 ALA H H 21 7.714 7.732 -0.018 1
1 173 . 7 1 1 A 21 21 ALA HA H 21 5.064 5.549 -0.485 1
1 177 . 7 1 1 A 21 21 ALA C C 21 175.915 174.877 1.038 1
1 178 . 7 1 1 A 21 21 ALA CA C 21 50.272 50.161 0.111 1
1 179 . 7 1 1 A 21 21 ALA CB C 21 22.367 23.886 -1.519 1
1 180 . 7 1 1 A 21 21 ALA N N 21 122.778 119.987 2.791 1
1 181 . 7 1 1 A 22 22 PHE H H 22 8.686 8.774 -0.088 1
1 182 . 7 1 1 A 22 22 PHE HA H 22 4.724 4.801 -0.077 1
1 190 . 7 1 1 A 22 22 PHE C C 22 175.341 175.579 -0.238 1
1 191 . 7 1 1 A 22 22 PHE CA C 22 57.367 56.574 0.793 1
1 192 . 7 1 1 A 22 22 PHE CB C 22 43.930 43.096 0.834 1
1 198 . 7 1 1 A 22 22 PHE N N 22 116.150 116.488 -0.338 1
1 199 . 7 1 1 A 23 23 ARG H H 23 9.607 8.778 0.829 1
1 200 . 7 1 1 A 23 23 ARG HA H 23 4.514 4.125 0.389 1
1 207 . 7 1 1 A 23 23 ARG C C 23 176.305 176.250 0.055 1
1 208 . 7 1 1 A 23 23 ARG CA C 23 58.710 59.141 -0.431 1
1 209 . 7 1 1 A 23 23 ARG CB C 23 32.010 30.661 1.349 1
1 212 . 7 1 1 A 23 23 ARG N N 23 120.730 122.677 -1.947 1
1 213 . 7 1 1 A 24 24 THR H H 24 7.231 7.715 -0.484 1
1 214 . 7 1 1 A 24 24 THR HA H 24 4.787 4.324 0.463 1
1 219 . 7 1 1 A 24 24 THR C C 24 173.868 175.169 -1.301 1
1 220 . 7 1 1 A 24 24 THR CA C 24 58.268 59.537 -1.269 1
1 221 . 7 1 1 A 24 24 THR CB C 24 72.469 71.468 1.001 1
1 223 . 7 1 1 A 24 24 THR N N 24 103.056 111.685 -8.629 1
1 224 . 7 1 1 A 25 25 ARG H H 25 8.333 8.718 -0.385 1
1 225 . 7 1 1 A 25 25 ARG HA H 25 4.787 4.069 0.718 1
1 232 . 7 1 1 A 25 25 ARG C C 25 178.700 177.631 1.069 1
1 233 . 7 1 1 A 25 25 ARG CA C 25 58.670 59.548 -0.878 1
1 234 . 7 1 1 A 25 25 ARG CB C 25 29.210 30.471 -1.261 1
1 237 . 7 1 1 A 25 25 ARG N N 25 123.788 122.966 0.822 1
1 238 . 7 1 1 A 26 26 SER HA H 26 4.136 4.027 0.109 1
1 241 . 7 1 1 A 26 26 SER C C 26 176.659 176.942 -0.283 1
1 242 . 7 1 1 A 26 26 SER CA C 26 61.194 61.491 -0.297 1
1 243 . 7 1 1 A 26 26 SER CB C 26 62.241 63.061 -0.820 1
1 244 . 7 1 1 A 26 26 SER N N 26 116.000 113.961 2.039 1
1 245 . 7 1 1 A 27 27 ASN H H 27 7.748 7.769 -0.021 1
1 246 . 7 1 1 A 27 27 ASN HA H 27 4.390 4.414 -0.024 1
1 251 . 7 1 1 A 27 27 ASN C C 27 177.533 177.214 0.319 1
1 252 . 7 1 1 A 27 27 ASN CA C 27 55.425 56.258 -0.833 1
1 253 . 7 1 1 A 27 27 ASN CB C 27 38.124 39.443 -1.319 1
1 254 . 7 1 1 A 27 27 ASN N N 27 120.092 119.161 0.931 1
1 255 . 7 1 1 A 28 28 LEU H H 28 7.264 7.883 -0.619 1
1 256 . 7 1 1 A 28 28 LEU HA H 28 3.261 1.999 1.262 1
1 266 . 7 1 1 A 28 28 LEU C C 28 177.429 178.349 -0.920 1
1 267 . 7 1 1 A 28 28 LEU CA C 28 58.283 57.157 1.126 1
1 268 . 7 1 1 A 28 28 LEU CB C 28 40.483 41.530 -1.047 1
1 272 . 7 1 1 A 28 28 LEU N N 28 122.398 120.154 2.244 1
1 273 . 7 1 1 A 29 29 THR H H 29 8.649 8.204 0.445 1
1 274 . 7 1 1 A 29 29 THR HA H 29 3.970 3.829 0.141 1
1 279 . 7 1 1 A 29 29 THR C C 29 177.377 176.351 1.026 1
1 280 . 7 1 1 A 29 29 THR CA C 29 66.593 66.657 -0.064 1
1 281 . 7 1 1 A 29 29 THR CB C 29 68.457 68.649 -0.192 1
1 283 . 7 1 1 A 29 29 THR N N 29 116.386 114.133 2.253 1
1 284 . 7 1 1 A 30 30 THR H H 30 8.106 7.885 0.221 1
1 285 . 7 1 1 A 30 30 THR HA H 30 3.910 4.042 -0.132 1
1 290 . 7 1 1 A 30 30 THR C C 30 176.144 176.423 -0.279 1
1 291 . 7 1 1 A 30 30 THR CA C 30 66.260 65.785 0.475 1
1 292 . 7 1 1 A 30 30 THR CB C 30 68.792 68.898 -0.106 1
1 294 . 7 1 1 A 30 30 THR N N 30 117.533 115.960 1.573 1
1 295 . 7 1 1 A 31 31 HIS H H 31 7.341 7.403 -0.062 1
1 296 . 7 1 1 A 31 31 HIS HA H 31 4.205 4.306 -0.101 1
1 301 . 7 1 1 A 31 31 HIS C C 31 176.196 177.241 -1.045 1
1 302 . 7 1 1 A 31 31 HIS CA C 31 58.919 58.687 0.232 1
1 303 . 7 1 1 A 31 31 HIS CB C 31 28.268 30.141 -1.873 1
1 306 . 7 1 1 A 31 31 HIS N N 31 120.815 120.197 0.618 1
1 307 . 7 1 1 A 32 32 GLN H H 32 8.186 8.023 0.163 1
1 308 . 7 1 1 A 32 32 GLN HA H 32 3.562 3.953 -0.391 1
1 315 . 7 1 1 A 32 32 GLN C C 32 177.032 178.365 -1.333 1
1 316 . 7 1 1 A 32 32 GLN CA C 32 59.582 58.319 1.263 1
1 317 . 7 1 1 A 32 32 GLN CB C 32 28.457 28.617 -0.160 1
1 319 . 7 1 1 A 32 32 GLN N N 32 114.261 118.590 -4.329 1
1 321 . 7 1 1 A 33 33 VAL H H 33 6.965 7.526 -0.561 1
1 322 . 7 1 1 A 33 33 VAL HA H 33 3.868 3.748 0.120 1
1 330 . 7 1 1 A 33 33 VAL C C 33 178.168 178.197 -0.029 1
1 331 . 7 1 1 A 33 33 VAL CA C 33 64.658 65.590 -0.932 1
1 332 . 7 1 1 A 33 33 VAL CB C 33 31.715 31.647 0.068 1
1 335 . 7 1 1 A 33 33 VAL N N 33 117.665 120.254 -2.589 1
1 336 . 7 1 1 A 34 34 ILE H H 34 7.621 7.298 0.323 1
1 337 . 7 1 1 A 34 34 ILE HA H 34 3.941 3.722 0.219 1
1 347 . 7 1 1 A 34 34 ILE C C 34 177.076 176.671 0.405 1
1 348 . 7 1 1 A 34 34 ILE CA C 34 63.207 63.625 -0.418 1
1 349 . 7 1 1 A 34 34 ILE CB C 34 37.688 37.040 0.648 1
1 353 . 7 1 1 A 34 34 ILE N N 34 117.372 116.647 0.725 1
1 354 . 7 1 1 A 35 35 HIS H H 35 7.253 7.669 -0.416 1
1 355 . 7 1 1 A 35 35 HIS HA H 35 4.908 4.501 0.407 1
1 360 . 7 1 1 A 35 35 HIS C C 35 175.795 175.271 0.524 1
1 361 . 7 1 1 A 35 35 HIS CA C 35 54.926 57.006 -2.080 1
1 362 . 7 1 1 A 35 35 HIS CB C 35 28.529 30.307 -1.778 1
1 365 . 7 1 1 A 35 35 HIS N N 35 117.505 119.183 -1.678 1
1 366 . 7 1 1 A 36 36 THR H H 36 7.827 7.551 0.276 1
1 367 . 7 1 1 A 36 36 THR HA H 36 4.331 4.571 -0.240 1
1 372 . 7 1 1 A 36 36 THR C C 36 175.532 174.312 1.220 1
1 373 . 7 1 1 A 36 36 THR CA C 36 63.020 60.893 2.127 1
1 374 . 7 1 1 A 36 36 THR CB C 36 69.891 70.259 -0.368 1
1 376 . 7 1 1 A 36 36 THR N N 36 112.717 111.297 1.420 1
1 377 . 7 1 1 A 37 37 GLY H H 37 8.358 8.461 -0.103 1
1 378 . 7 1 1 A 37 37 GLY HA2 H 37 4.010 4.159 -0.149 1
1 379 . 7 1 1 A 37 37 GLY HA3 H 37 4.010 4.162 -0.152 1
1 380 . 7 1 1 A 37 37 GLY C C 37 174.222 172.378 1.844 1
1 381 . 7 1 1 A 37 37 GLY CA C 37 45.394 45.322 0.072 1
1 382 . 7 1 1 A 37 37 GLY N N 37 110.814 109.685 1.129 1
1 383 . 7 1 1 A 38 38 GLU H H 38 8.119 8.952 -0.833 1
1 384 . 7 1 1 A 38 38 GLU HA H 38 4.233 5.050 -0.817 1
1 389 . 7 1 1 A 38 38 GLU C C 38 176.521 175.685 0.836 1
1 390 . 7 1 1 A 38 38 GLU CA C 38 56.698 55.667 1.031 1
1 391 . 7 1 1 A 38 38 GLU CB C 38 30.459 31.651 -1.192 1
1 393 . 7 1 1 A 38 38 GLU N N 38 120.653 122.834 -2.181 1
1 394 . 7 1 1 A 39 39 LYS H H 39 8.372 8.467 -0.095 1
1 395 . 7 1 1 A 39 39 LYS HA H 39 4.325 4.673 -0.348 1
1 404 . 7 1 1 A 39 39 LYS C C 39 176.520 176.509 0.011 1
1 405 . 7 1 1 A 39 39 LYS CA C 39 56.254 54.455 1.799 1
1 406 . 7 1 1 A 39 39 LYS CB C 39 32.719 34.374 -1.655 1
1 410 . 7 1 1 A 39 39 LYS N N 39 122.536 123.281 -0.745 1
1 411 . 7 1 1 A 40 40 ARG H H 40 8.435 8.471 -0.036 1
1 412 . 7 1 1 A 40 40 ARG HA H 40 4.407 4.169 0.238 1
1 419 . 7 1 1 A 40 40 ARG C C 40 176.290 176.095 0.195 1
1 420 . 7 1 1 A 40 40 ARG CA C 40 56.011 56.240 -0.229 1
1 421 . 7 1 1 A 40 40 ARG CB C 40 30.978 30.536 0.442 1
1 424 . 7 1 1 A 40 40 ARG N N 40 122.912 121.656 1.256 1
1 425 . 7 1 1 A 41 41 SER H H 41 8.428 8.569 -0.141 1
1 426 . 7 1 1 A 41 41 SER HA H 41 4.507 4.968 -0.461 1
1 429 . 7 1 1 A 41 41 SER C C 41 174.450 174.390 0.060 1
1 430 . 7 1 1 A 41 41 SER CA C 41 58.208 57.525 0.683 1
1 431 . 7 1 1 A 41 41 SER CB C 41 64.046 67.085 -3.039 1
1 432 . 7 1 1 A 41 41 SER N N 41 117.335 115.915 1.420 1
1 433 . 7 1 1 A 42 42 GLY H H 42 8.265 8.556 -0.291 1
1 434 . 7 1 1 A 42 42 GLY HA2 H 42 4.149 4.042 0.107 1
1 435 . 7 1 1 A 42 42 GLY HA3 H 42 4.115 4.043 0.072 1
1 436 . 7 1 1 A 42 42 GLY C C 42 171.715 173.462 -1.747 1
1 437 . 7 1 1 A 42 42 GLY CA C 42 44.661 44.260 0.401 1
1 438 . 7 1 1 A 42 42 GLY N N 42 110.713 109.726 0.987 1
1 439 . 7 1 1 A 43 43 PRO HA H 43 4.476 4.716 -0.240 1
1 446 . 7 1 1 A 43 43 PRO C C 43 177.405 176.644 0.761 1
1 447 . 7 1 1 A 43 43 PRO CA C 43 63.215 62.240 0.975 1
1 448 . 7 1 1 A 43 43 PRO CB C 43 32.224 29.531 2.693 1
1 451 . 7 1 1 A 44 44 SER H H 44 8.543 8.107 0.436 1
1 452 . 7 1 1 A 44 44 SER HA H 44 4.507 4.624 -0.117 1
1 455 . 7 1 1 A 44 44 SER C C 44 174.588 174.560 0.028 1
1 456 . 7 1 1 A 44 44 SER CA C 44 58.352 57.317 1.035 1
1 457 . 7 1 1 A 44 44 SER CB C 44 63.989 65.253 -1.264 1
1 458 . 7 1 1 A 44 44 SER N N 44 116.402 115.190 1.212 1
1 459 . 7 1 1 A 45 45 SER H H 45 8.318 8.656 -0.338 1
1 460 . 7 1 1 A 45 45 SER HA H 45 4.508 4.186 0.322 1
1 463 . 7 1 1 A 45 45 SER C C 45 173.887 174.713 -0.826 1
1 464 . 7 1 1 A 45 45 SER CA C 45 58.286 59.957 -1.671 1
1 465 . 7 1 1 A 45 45 SER CB C 45 64.037 62.482 1.555 1
1 466 . 7 1 1 A 45 45 SER N N 45 117.792 117.009 0.783 1
1 1 . 8 1 1 A 7 7 GLY HA2 H 7 3.998 4.172 -0.174 1
1 2 . 8 1 1 A 7 7 GLY HA3 H 7 3.998 4.174 -0.176 1
1 3 . 8 1 1 A 7 7 GLY C C 7 174.369 174.086 0.283 1
1 4 . 8 1 1 A 7 7 GLY CA C 7 45.413 45.728 -0.315 1
1 5 . 8 1 1 A 8 8 THR H H 8 8.058 7.683 0.375 1
1 6 . 8 1 1 A 8 8 THR HA H 8 4.332 5.001 -0.669 1
1 11 . 8 1 1 A 8 8 THR C C 8 174.812 173.083 1.729 1
1 12 . 8 1 1 A 8 8 THR CA C 8 61.812 60.351 1.461 1
1 13 . 8 1 1 A 8 8 THR CB C 8 69.909 70.287 -0.378 1
1 15 . 8 1 1 A 8 8 THR N N 8 113.853 110.879 2.974 1
1 16 . 8 1 1 A 9 9 LYS H H 9 8.368 8.759 -0.391 1
1 17 . 8 1 1 A 9 9 LYS HA H 9 4.234 4.488 -0.254 1
1 26 . 8 1 1 A 9 9 LYS C C 9 176.726 176.391 0.335 1
1 27 . 8 1 1 A 9 9 LYS CA C 9 56.616 56.539 0.077 1
1 28 . 8 1 1 A 9 9 LYS CB C 9 32.666 32.828 -0.162 1
1 32 . 8 1 1 A 9 9 LYS N N 9 122.996 127.518 -4.522 1
1 33 . 8 1 1 A 10 10 GLU H H 10 8.247 8.646 -0.399 1
1 34 . 8 1 1 A 10 10 GLU HA H 10 4.120 4.882 -0.762 1
1 39 . 8 1 1 A 10 10 GLU C C 10 176.223 175.163 1.060 1
1 40 . 8 1 1 A 10 10 GLU CA C 10 57.320 54.602 2.718 1
1 41 . 8 1 1 A 10 10 GLU CB C 10 30.234 32.997 -2.763 1
1 43 . 8 1 1 A 10 10 GLU N N 10 120.550 121.833 -1.283 1
1 44 . 8 1 1 A 11 11 LYS H H 11 8.016 8.854 -0.838 1
1 45 . 8 1 1 A 11 11 LYS HA H 11 4.517 3.843 0.674 1
1 54 . 8 1 1 A 11 11 LYS C C 11 173.757 176.807 -3.050 1
1 55 . 8 1 1 A 11 11 LYS CA C 11 53.783 56.879 -3.096 1
1 56 . 8 1 1 A 11 11 LYS CB C 11 33.260 30.417 2.843 1
1 60 . 8 1 1 A 11 11 LYS N N 11 119.846 118.561 1.285 1
1 61 . 8 1 1 A 12 12 PRO HA H 12 4.272 4.542 -0.270 1
1 68 . 8 1 1 A 12 12 PRO C C 12 176.667 176.242 0.425 1
1 69 . 8 1 1 A 12 12 PRO CA C 12 63.412 65.449 -2.037 1
1 70 . 8 1 1 A 12 12 PRO CB C 12 32.362 31.876 0.486 1
1 73 . 8 1 1 A 13 13 TYR H H 13 7.801 7.586 0.215 1
1 74 . 8 1 1 A 13 13 TYR HA H 13 4.578 4.652 -0.074 1
1 81 . 8 1 1 A 13 13 TYR C C 13 174.321 175.029 -0.708 1
1 82 . 8 1 1 A 13 13 TYR CA C 13 57.814 58.786 -0.972 1
1 83 . 8 1 1 A 13 13 TYR CB C 13 38.437 38.649 -0.212 1
1 88 . 8 1 1 A 13 13 TYR N N 13 118.297 118.137 0.160 1
1 89 . 8 1 1 A 14 14 LYS H H 14 8.450 8.894 -0.444 1
1 90 . 8 1 1 A 14 14 LYS HA H 14 4.734 5.399 -0.665 1
1 99 . 8 1 1 A 14 14 LYS C C 14 174.596 175.590 -0.994 1
1 100 . 8 1 1 A 14 14 LYS CA C 14 55.254 54.299 0.955 1
1 101 . 8 1 1 A 14 14 LYS CB C 14 35.279 35.927 -0.648 1
1 105 . 8 1 1 A 14 14 LYS N N 14 125.533 124.975 0.558 1
1 106 . 8 1 1 A 15 15 CYS H H 15 9.186 9.381 -0.195 1
1 107 . 8 1 1 A 15 15 CYS HA H 15 4.563 4.387 0.176 1
1 110 . 8 1 1 A 15 15 CYS C C 15 176.896 175.354 1.542 1
1 111 . 8 1 1 A 15 15 CYS CA C 15 58.735 58.841 -0.106 1
1 112 . 8 1 1 A 15 15 CYS CB C 15 29.404 27.758 1.646 1
1 113 . 8 1 1 A 15 15 CYS N N 15 126.149 125.265 0.884 1
1 114 . 8 1 1 A 16 16 TYR H H 16 9.138 7.810 1.328 1
1 115 . 8 1 1 A 16 16 TYR HA H 16 4.325 4.292 0.033 1
1 122 . 8 1 1 A 16 16 TYR C C 16 176.155 177.841 -1.686 1
1 123 . 8 1 1 A 16 16 TYR CA C 16 60.508 61.028 -0.520 1
1 124 . 8 1 1 A 16 16 TYR CB C 16 37.564 37.748 -0.184 1
1 129 . 8 1 1 A 16 16 TYR N N 16 130.571 125.785 4.786 1
1 130 . 8 1 1 A 17 17 GLU H H 17 8.405 8.183 0.222 1
1 131 . 8 1 1 A 17 17 GLU HA H 17 4.138 4.061 0.077 1
1 136 . 8 1 1 A 17 17 GLU C C 17 177.140 177.825 -0.685 1
1 137 . 8 1 1 A 17 17 GLU CA C 17 58.636 58.830 -0.194 1
1 138 . 8 1 1 A 17 17 GLU CB C 17 29.210 29.497 -0.287 1
1 140 . 8 1 1 A 17 17 GLU N N 17 120.856 120.607 0.249 1
1 141 . 8 1 1 A 18 18 CYS H H 18 7.766 7.991 -0.225 1
1 142 . 8 1 1 A 18 18 CYS HA H 18 5.158 4.710 0.448 1
1 145 . 8 1 1 A 18 18 CYS C C 18 176.122 175.509 0.613 1
1 146 . 8 1 1 A 18 18 CYS CA C 18 58.203 59.559 -1.356 1
1 147 . 8 1 1 A 18 18 CYS CB C 18 32.419 30.066 2.353 1
1 148 . 8 1 1 A 18 18 CYS N N 18 113.779 114.819 -1.040 1
1 149 . 8 1 1 A 19 19 GLY H H 19 8.233 8.038 0.195 1
1 150 . 8 1 1 A 19 19 GLY HA2 H 19 3.693 4.108 -0.415 1
1 151 . 8 1 1 A 19 19 GLY HA3 H 19 4.262 4.128 0.134 1
1 152 . 8 1 1 A 19 19 GLY C C 19 173.845 174.511 -0.666 1
1 153 . 8 1 1 A 19 19 GLY CA C 19 46.274 44.901 1.373 1
1 154 . 8 1 1 A 19 19 GLY N N 19 113.979 109.852 4.127 1
1 155 . 8 1 1 A 20 20 LYS H H 20 7.886 7.442 0.444 1
1 156 . 8 1 1 A 20 20 LYS HA H 20 3.959 4.259 -0.300 1
1 165 . 8 1 1 A 20 20 LYS C C 20 173.244 175.145 -1.901 1
1 166 . 8 1 1 A 20 20 LYS CA C 20 58.013 56.136 1.877 1
1 167 . 8 1 1 A 20 20 LYS CB C 20 33.996 34.118 -0.122 1
1 171 . 8 1 1 A 20 20 LYS N N 20 122.721 120.224 2.497 1
1 172 . 8 1 1 A 21 21 ALA H H 21 7.714 7.750 -0.036 1
1 173 . 8 1 1 A 21 21 ALA HA H 21 5.064 5.538 -0.474 1
1 177 . 8 1 1 A 21 21 ALA C C 21 175.915 174.960 0.955 1
1 178 . 8 1 1 A 21 21 ALA CA C 21 50.272 50.078 0.194 1
1 179 . 8 1 1 A 21 21 ALA CB C 21 22.367 23.921 -1.554 1
1 180 . 8 1 1 A 21 21 ALA N N 21 122.778 120.037 2.741 1
1 181 . 8 1 1 A 22 22 PHE H H 22 8.686 8.834 -0.148 1
1 182 . 8 1 1 A 22 22 PHE HA H 22 4.724 4.847 -0.123 1
1 190 . 8 1 1 A 22 22 PHE C C 22 175.341 175.598 -0.257 1
1 191 . 8 1 1 A 22 22 PHE CA C 22 57.367 56.533 0.834 1
1 192 . 8 1 1 A 22 22 PHE CB C 22 43.930 43.174 0.756 1
1 198 . 8 1 1 A 22 22 PHE N N 22 116.150 116.272 -0.122 1
1 199 . 8 1 1 A 23 23 ARG H H 23 9.607 8.867 0.740 1
1 200 . 8 1 1 A 23 23 ARG HA H 23 4.514 4.170 0.344 1
1 207 . 8 1 1 A 23 23 ARG C C 23 176.305 176.391 -0.086 1
1 208 . 8 1 1 A 23 23 ARG CA C 23 58.710 58.677 0.033 1
1 209 . 8 1 1 A 23 23 ARG CB C 23 32.010 30.807 1.203 1
1 212 . 8 1 1 A 23 23 ARG N N 23 120.730 122.149 -1.419 1
1 213 . 8 1 1 A 24 24 THR H H 24 7.231 7.669 -0.438 1
1 214 . 8 1 1 A 24 24 THR HA H 24 4.787 4.165 0.622 1
1 219 . 8 1 1 A 24 24 THR C C 24 173.868 174.608 -0.740 1
1 220 . 8 1 1 A 24 24 THR CA C 24 58.268 59.677 -1.409 1
1 221 . 8 1 1 A 24 24 THR CB C 24 72.469 71.750 0.719 1
1 223 . 8 1 1 A 24 24 THR N N 24 103.056 110.959 -7.903 1
1 224 . 8 1 1 A 25 25 ARG H H 25 8.333 8.702 -0.369 1
1 225 . 8 1 1 A 25 25 ARG HA H 25 4.787 4.074 0.713 1
1 232 . 8 1 1 A 25 25 ARG C C 25 178.700 177.778 0.922 1
1 233 . 8 1 1 A 25 25 ARG CA C 25 58.670 59.680 -1.010 1
1 234 . 8 1 1 A 25 25 ARG CB C 25 29.210 30.247 -1.037 1
1 237 . 8 1 1 A 25 25 ARG N N 25 123.788 122.702 1.086 1
1 238 . 8 1 1 A 26 26 SER HA H 26 4.136 4.051 0.085 1
1 241 . 8 1 1 A 26 26 SER C C 26 176.659 177.029 -0.370 1
1 242 . 8 1 1 A 26 26 SER CA C 26 61.194 61.630 -0.436 1
1 243 . 8 1 1 A 26 26 SER CB C 26 62.241 63.040 -0.799 1
1 244 . 8 1 1 A 26 26 SER N N 26 116.000 113.759 2.241 1
1 245 . 8 1 1 A 27 27 ASN H H 27 7.748 7.728 0.020 1
1 246 . 8 1 1 A 27 27 ASN HA H 27 4.390 4.461 -0.071 1
1 251 . 8 1 1 A 27 27 ASN C C 27 177.533 177.007 0.526 1
1 252 . 8 1 1 A 27 27 ASN CA C 27 55.425 56.262 -0.837 1
1 253 . 8 1 1 A 27 27 ASN CB C 27 38.124 39.554 -1.430 1
1 254 . 8 1 1 A 27 27 ASN N N 27 120.092 118.949 1.143 1
1 255 . 8 1 1 A 28 28 LEU H H 28 7.264 7.960 -0.696 1
1 256 . 8 1 1 A 28 28 LEU HA H 28 3.261 1.730 1.531 1
1 266 . 8 1 1 A 28 28 LEU C C 28 177.429 178.330 -0.901 1
1 267 . 8 1 1 A 28 28 LEU CA C 28 58.283 57.171 1.112 1
1 268 . 8 1 1 A 28 28 LEU CB C 28 40.483 41.640 -1.157 1
1 272 . 8 1 1 A 28 28 LEU N N 28 122.398 119.865 2.533 1
1 273 . 8 1 1 A 29 29 THR H H 29 8.649 8.256 0.393 1
1 274 . 8 1 1 A 29 29 THR HA H 29 3.970 3.818 0.152 1
1 279 . 8 1 1 A 29 29 THR C C 29 177.377 176.416 0.961 1
1 280 . 8 1 1 A 29 29 THR CA C 29 66.593 66.469 0.124 1
1 281 . 8 1 1 A 29 29 THR CB C 29 68.457 68.555 -0.098 1
1 283 . 8 1 1 A 29 29 THR N N 29 116.386 113.864 2.522 1
1 284 . 8 1 1 A 30 30 THR H H 30 8.106 7.811 0.295 1
1 285 . 8 1 1 A 30 30 THR HA H 30 3.910 4.015 -0.105 1
1 290 . 8 1 1 A 30 30 THR C C 30 176.144 176.173 -0.029 1
1 291 . 8 1 1 A 30 30 THR CA C 30 66.260 65.523 0.737 1
1 292 . 8 1 1 A 30 30 THR CB C 30 68.792 68.960 -0.168 1
1 294 . 8 1 1 A 30 30 THR N N 30 117.533 115.862 1.671 1
1 295 . 8 1 1 A 31 31 HIS H H 31 7.341 7.827 -0.486 1
1 296 . 8 1 1 A 31 31 HIS HA H 31 4.205 4.321 -0.116 1
1 301 . 8 1 1 A 31 31 HIS C C 31 176.196 177.244 -1.048 1
1 302 . 8 1 1 A 31 31 HIS CA C 31 58.919 58.564 0.355 1
1 303 . 8 1 1 A 31 31 HIS CB C 31 28.268 30.215 -1.947 1
1 306 . 8 1 1 A 31 31 HIS N N 31 120.815 120.229 0.586 1
1 307 . 8 1 1 A 32 32 GLN H H 32 8.186 8.021 0.165 1
1 308 . 8 1 1 A 32 32 GLN HA H 32 3.562 3.996 -0.434 1
1 315 . 8 1 1 A 32 32 GLN C C 32 177.032 178.446 -1.414 1
1 316 . 8 1 1 A 32 32 GLN CA C 32 59.582 58.248 1.334 1
1 317 . 8 1 1 A 32 32 GLN CB C 32 28.457 28.660 -0.203 1
1 319 . 8 1 1 A 32 32 GLN N N 32 114.261 118.639 -4.378 1
1 321 . 8 1 1 A 33 33 VAL H H 33 6.965 7.485 -0.520 1
1 322 . 8 1 1 A 33 33 VAL HA H 33 3.868 3.637 0.231 1
1 330 . 8 1 1 A 33 33 VAL C C 33 178.168 177.951 0.217 1
1 331 . 8 1 1 A 33 33 VAL CA C 33 64.658 65.667 -1.009 1
1 332 . 8 1 1 A 33 33 VAL CB C 33 31.715 31.717 -0.002 1
1 335 . 8 1 1 A 33 33 VAL N N 33 117.665 120.224 -2.559 1
1 336 . 8 1 1 A 34 34 ILE H H 34 7.621 7.189 0.432 1
1 337 . 8 1 1 A 34 34 ILE HA H 34 3.941 3.781 0.160 1
1 347 . 8 1 1 A 34 34 ILE C C 34 177.076 176.604 0.472 1
1 348 . 8 1 1 A 34 34 ILE CA C 34 63.207 63.575 -0.368 1
1 349 . 8 1 1 A 34 34 ILE CB C 34 37.688 36.983 0.705 1
1 353 . 8 1 1 A 34 34 ILE N N 34 117.372 116.666 0.706 1
1 354 . 8 1 1 A 35 35 HIS H H 35 7.253 8.079 -0.826 1
1 355 . 8 1 1 A 35 35 HIS HA H 35 4.908 4.492 0.416 1
1 360 . 8 1 1 A 35 35 HIS C C 35 175.795 175.856 -0.061 1
1 361 . 8 1 1 A 35 35 HIS CA C 35 54.926 56.589 -1.663 1
1 362 . 8 1 1 A 35 35 HIS CB C 35 28.529 30.162 -1.633 1
1 365 . 8 1 1 A 35 35 HIS N N 35 117.505 119.226 -1.721 1
1 366 . 8 1 1 A 36 36 THR H H 36 7.827 7.548 0.279 1
1 367 . 8 1 1 A 36 36 THR HA H 36 4.331 4.460 -0.129 1
1 372 . 8 1 1 A 36 36 THR C C 36 175.532 174.435 1.097 1
1 373 . 8 1 1 A 36 36 THR CA C 36 63.020 61.162 1.858 1
1 374 . 8 1 1 A 36 36 THR CB C 36 69.891 68.823 1.068 1
1 376 . 8 1 1 A 36 36 THR N N 36 112.717 108.135 4.582 1
1 377 . 8 1 1 A 37 37 GLY H H 37 8.358 7.873 0.485 1
1 378 . 8 1 1 A 37 37 GLY HA2 H 37 4.010 4.118 -0.108 1
1 379 . 8 1 1 A 37 37 GLY HA3 H 37 4.010 4.124 -0.114 1
1 380 . 8 1 1 A 37 37 GLY C C 37 174.222 174.268 -0.046 1
1 381 . 8 1 1 A 37 37 GLY CA C 37 45.394 44.816 0.578 1
1 382 . 8 1 1 A 37 37 GLY N N 37 110.814 111.008 -0.194 1
1 383 . 8 1 1 A 38 38 GLU H H 38 8.119 8.691 -0.572 1
1 384 . 8 1 1 A 38 38 GLU HA H 38 4.233 4.513 -0.280 1
1 389 . 8 1 1 A 38 38 GLU C C 38 176.521 178.087 -1.566 1
1 390 . 8 1 1 A 38 38 GLU CA C 38 56.698 57.421 -0.723 1
1 391 . 8 1 1 A 38 38 GLU CB C 38 30.459 31.893 -1.434 1
1 393 . 8 1 1 A 38 38 GLU N N 38 120.653 120.864 -0.211 1
1 394 . 8 1 1 A 39 39 LYS H H 39 8.372 8.123 0.249 1
1 395 . 8 1 1 A 39 39 LYS HA H 39 4.325 4.012 0.313 1
1 404 . 8 1 1 A 39 39 LYS C C 39 176.520 177.783 -1.263 1
1 405 . 8 1 1 A 39 39 LYS CA C 39 56.254 59.382 -3.128 1
1 406 . 8 1 1 A 39 39 LYS CB C 39 32.719 32.400 0.319 1
1 410 . 8 1 1 A 39 39 LYS N N 39 122.536 120.558 1.978 1
1 411 . 8 1 1 A 40 40 ARG H H 40 8.435 8.209 0.226 1
1 412 . 8 1 1 A 40 40 ARG HA H 40 4.407 4.560 -0.153 1
1 419 . 8 1 1 A 40 40 ARG C C 40 176.290 176.276 0.014 1
1 420 . 8 1 1 A 40 40 ARG CA C 40 56.011 55.396 0.615 1
1 421 . 8 1 1 A 40 40 ARG CB C 40 30.978 28.959 2.019 1
1 424 . 8 1 1 A 40 40 ARG N N 40 122.912 119.460 3.452 1
1 425 . 8 1 1 A 41 41 SER H H 41 8.428 8.158 0.270 1
1 426 . 8 1 1 A 41 41 SER HA H 41 4.507 4.439 0.068 1
1 429 . 8 1 1 A 41 41 SER C C 41 174.450 175.302 -0.852 1
1 430 . 8 1 1 A 41 41 SER CA C 41 58.208 60.276 -2.068 1
1 431 . 8 1 1 A 41 41 SER CB C 41 64.046 64.126 -0.080 1
1 432 . 8 1 1 A 41 41 SER N N 41 117.335 115.315 2.020 1
1 433 . 8 1 1 A 42 42 GLY H H 42 8.265 7.360 0.905 1
1 434 . 8 1 1 A 42 42 GLY HA2 H 42 4.149 4.097 0.052 1
1 435 . 8 1 1 A 42 42 GLY HA3 H 42 4.115 4.098 0.017 1
1 436 . 8 1 1 A 42 42 GLY C C 42 171.715 172.401 -0.686 1
1 437 . 8 1 1 A 42 42 GLY CA C 42 44.661 45.495 -0.834 1
1 438 . 8 1 1 A 42 42 GLY N N 42 110.713 105.025 5.688 1
1 439 . 8 1 1 A 43 43 PRO HA H 43 4.476 4.721 -0.245 1
1 446 . 8 1 1 A 43 43 PRO C C 43 177.405 175.296 2.109 1
1 447 . 8 1 1 A 43 43 PRO CA C 43 63.215 62.610 0.605 1
1 448 . 8 1 1 A 43 43 PRO CB C 43 32.224 33.510 -1.286 1
1 451 . 8 1 1 A 44 44 SER H H 44 8.543 8.736 -0.193 1
1 452 . 8 1 1 A 44 44 SER HA H 44 4.507 4.845 -0.338 1
1 455 . 8 1 1 A 44 44 SER C C 44 174.588 174.837 -0.249 1
1 456 . 8 1 1 A 44 44 SER CA C 44 58.352 56.897 1.455 1
1 457 . 8 1 1 A 44 44 SER CB C 44 63.989 65.361 -1.372 1
1 458 . 8 1 1 A 44 44 SER N N 44 116.402 117.681 -1.279 1
1 459 . 8 1 1 A 45 45 SER H H 45 8.318 8.686 -0.368 1
1 460 . 8 1 1 A 45 45 SER HA H 45 4.508 4.159 0.349 1
1 463 . 8 1 1 A 45 45 SER C C 45 173.887 174.820 -0.933 1
1 464 . 8 1 1 A 45 45 SER CA C 45 58.286 62.197 -3.911 1
1 465 . 8 1 1 A 45 45 SER CB C 45 64.037 63.331 0.706 1
1 466 . 8 1 1 A 45 45 SER N N 45 117.792 122.631 -4.839 1
1 1 . 9 1 1 A 7 7 GLY HA2 H 7 3.998 4.039 -0.041 1
1 2 . 9 1 1 A 7 7 GLY HA3 H 7 3.998 4.041 -0.043 1
1 3 . 9 1 1 A 7 7 GLY C C 7 174.369 174.343 0.026 1
1 4 . 9 1 1 A 7 7 GLY CA C 7 45.413 46.215 -0.802 1
1 5 . 9 1 1 A 8 8 THR H H 8 8.058 7.686 0.372 1
1 6 . 9 1 1 A 8 8 THR HA H 8 4.332 4.267 0.065 1
1 11 . 9 1 1 A 8 8 THR C C 8 174.812 173.951 0.861 1
1 12 . 9 1 1 A 8 8 THR CA C 8 61.812 62.422 -0.610 1
1 13 . 9 1 1 A 8 8 THR CB C 8 69.909 69.425 0.484 1
1 15 . 9 1 1 A 8 8 THR N N 8 113.853 115.583 -1.730 1
1 16 . 9 1 1 A 9 9 LYS H H 9 8.368 8.713 -0.345 1
1 17 . 9 1 1 A 9 9 LYS HA H 9 4.234 4.777 -0.543 1
1 26 . 9 1 1 A 9 9 LYS C C 9 176.726 175.843 0.883 1
1 27 . 9 1 1 A 9 9 LYS CA C 9 56.616 55.726 0.890 1
1 28 . 9 1 1 A 9 9 LYS CB C 9 32.666 32.373 0.293 1
1 32 . 9 1 1 A 9 9 LYS N N 9 122.996 123.800 -0.804 1
1 33 . 9 1 1 A 10 10 GLU H H 10 8.247 8.404 -0.157 1
1 34 . 9 1 1 A 10 10 GLU HA H 10 4.120 4.834 -0.714 1
1 39 . 9 1 1 A 10 10 GLU C C 10 176.223 175.723 0.500 1
1 40 . 9 1 1 A 10 10 GLU CA C 10 57.320 55.331 1.989 1
1 41 . 9 1 1 A 10 10 GLU CB C 10 30.234 31.282 -1.048 1
1 43 . 9 1 1 A 10 10 GLU N N 10 120.550 120.611 -0.061 1
1 44 . 9 1 1 A 11 11 LYS H H 11 8.016 8.854 -0.838 1
1 45 . 9 1 1 A 11 11 LYS HA H 11 4.517 3.821 0.696 1
1 54 . 9 1 1 A 11 11 LYS C C 11 173.757 176.800 -3.043 1
1 55 . 9 1 1 A 11 11 LYS CA C 11 53.783 56.870 -3.087 1
1 56 . 9 1 1 A 11 11 LYS CB C 11 33.260 30.384 2.876 1
1 60 . 9 1 1 A 11 11 LYS N N 11 119.846 117.887 1.959 1
1 61 . 9 1 1 A 12 12 PRO HA H 12 4.272 4.545 -0.273 1
1 68 . 9 1 1 A 12 12 PRO C C 12 176.667 176.250 0.417 1
1 69 . 9 1 1 A 12 12 PRO CA C 12 63.412 65.342 -1.930 1
1 70 . 9 1 1 A 12 12 PRO CB C 12 32.362 31.907 0.455 1
1 73 . 9 1 1 A 13 13 TYR H H 13 7.801 7.604 0.197 1
1 74 . 9 1 1 A 13 13 TYR HA H 13 4.578 4.652 -0.074 1
1 81 . 9 1 1 A 13 13 TYR C C 13 174.321 174.928 -0.607 1
1 82 . 9 1 1 A 13 13 TYR CA C 13 57.814 58.360 -0.546 1
1 83 . 9 1 1 A 13 13 TYR CB C 13 38.437 38.411 0.026 1
1 88 . 9 1 1 A 13 13 TYR N N 13 118.297 118.131 0.166 1
1 89 . 9 1 1 A 14 14 LYS H H 14 8.450 8.880 -0.430 1
1 90 . 9 1 1 A 14 14 LYS HA H 14 4.734 5.336 -0.602 1
1 99 . 9 1 1 A 14 14 LYS C C 14 174.596 175.678 -1.082 1
1 100 . 9 1 1 A 14 14 LYS CA C 14 55.254 54.480 0.774 1
1 101 . 9 1 1 A 14 14 LYS CB C 14 35.279 35.601 -0.322 1
1 105 . 9 1 1 A 14 14 LYS N N 14 125.533 125.605 -0.072 1
1 106 . 9 1 1 A 15 15 CYS H H 15 9.186 9.104 0.082 1
1 107 . 9 1 1 A 15 15 CYS HA H 15 4.563 4.377 0.186 1
1 110 . 9 1 1 A 15 15 CYS C C 15 176.896 175.494 1.402 1
1 111 . 9 1 1 A 15 15 CYS CA C 15 58.735 58.819 -0.084 1
1 112 . 9 1 1 A 15 15 CYS CB C 15 29.404 27.904 1.500 1
1 113 . 9 1 1 A 15 15 CYS N N 15 126.149 125.185 0.964 1
1 114 . 9 1 1 A 16 16 TYR H H 16 9.138 7.846 1.292 1
1 115 . 9 1 1 A 16 16 TYR HA H 16 4.325 4.294 0.031 1
1 122 . 9 1 1 A 16 16 TYR C C 16 176.155 177.844 -1.689 1
1 123 . 9 1 1 A 16 16 TYR CA C 16 60.508 60.950 -0.442 1
1 124 . 9 1 1 A 16 16 TYR CB C 16 37.564 37.673 -0.109 1
1 129 . 9 1 1 A 16 16 TYR N N 16 130.571 126.050 4.521 1
1 130 . 9 1 1 A 17 17 GLU H H 17 8.405 8.349 0.056 1
1 131 . 9 1 1 A 17 17 GLU HA H 17 4.138 4.074 0.064 1
1 136 . 9 1 1 A 17 17 GLU C C 17 177.140 177.813 -0.673 1
1 137 . 9 1 1 A 17 17 GLU CA C 17 58.636 58.819 -0.183 1
1 138 . 9 1 1 A 17 17 GLU CB C 17 29.210 29.528 -0.318 1
1 140 . 9 1 1 A 17 17 GLU N N 17 120.856 120.625 0.231 1
1 141 . 9 1 1 A 18 18 CYS H H 18 7.766 7.911 -0.145 1
1 142 . 9 1 1 A 18 18 CYS HA H 18 5.158 4.697 0.461 1
1 145 . 9 1 1 A 18 18 CYS C C 18 176.122 175.651 0.471 1
1 146 . 9 1 1 A 18 18 CYS CA C 18 58.203 59.393 -1.190 1
1 147 . 9 1 1 A 18 18 CYS CB C 18 32.419 30.078 2.341 1
1 148 . 9 1 1 A 18 18 CYS N N 18 113.779 114.914 -1.135 1
1 149 . 9 1 1 A 19 19 GLY H H 19 8.233 8.133 0.100 1
1 150 . 9 1 1 A 19 19 GLY HA2 H 19 3.693 4.103 -0.410 1
1 151 . 9 1 1 A 19 19 GLY HA3 H 19 4.262 4.122 0.140 1
1 152 . 9 1 1 A 19 19 GLY C C 19 173.845 174.636 -0.791 1
1 153 . 9 1 1 A 19 19 GLY CA C 19 46.274 45.028 1.246 1
1 154 . 9 1 1 A 19 19 GLY N N 19 113.979 109.880 4.099 1
1 155 . 9 1 1 A 20 20 LYS H H 20 7.886 7.336 0.550 1
1 156 . 9 1 1 A 20 20 LYS HA H 20 3.959 4.288 -0.329 1
1 165 . 9 1 1 A 20 20 LYS C C 20 173.244 175.063 -1.819 1
1 166 . 9 1 1 A 20 20 LYS CA C 20 58.013 55.991 2.022 1
1 167 . 9 1 1 A 20 20 LYS CB C 20 33.996 34.202 -0.206 1
1 171 . 9 1 1 A 20 20 LYS N N 20 122.721 120.064 2.657 1
1 172 . 9 1 1 A 21 21 ALA H H 21 7.714 7.696 0.018 1
1 173 . 9 1 1 A 21 21 ALA HA H 21 5.064 5.494 -0.430 1
1 177 . 9 1 1 A 21 21 ALA C C 21 175.915 174.852 1.063 1
1 178 . 9 1 1 A 21 21 ALA CA C 21 50.272 50.197 0.075 1
1 179 . 9 1 1 A 21 21 ALA CB C 21 22.367 23.881 -1.514 1
1 180 . 9 1 1 A 21 21 ALA N N 21 122.778 120.292 2.486 1
1 181 . 9 1 1 A 22 22 PHE H H 22 8.686 8.819 -0.133 1
1 182 . 9 1 1 A 22 22 PHE HA H 22 4.724 4.830 -0.106 1
1 190 . 9 1 1 A 22 22 PHE C C 22 175.341 175.576 -0.235 1
1 191 . 9 1 1 A 22 22 PHE CA C 22 57.367 56.536 0.831 1
1 192 . 9 1 1 A 22 22 PHE CB C 22 43.930 43.044 0.886 1
1 198 . 9 1 1 A 22 22 PHE N N 22 116.150 116.499 -0.349 1
1 199 . 9 1 1 A 23 23 ARG H H 23 9.607 8.790 0.817 1
1 200 . 9 1 1 A 23 23 ARG HA H 23 4.514 4.155 0.359 1
1 207 . 9 1 1 A 23 23 ARG C C 23 176.305 176.263 0.042 1
1 208 . 9 1 1 A 23 23 ARG CA C 23 58.710 58.991 -0.281 1
1 209 . 9 1 1 A 23 23 ARG CB C 23 32.010 30.725 1.285 1
1 212 . 9 1 1 A 23 23 ARG N N 23 120.730 122.605 -1.875 1
1 213 . 9 1 1 A 24 24 THR H H 24 7.231 7.698 -0.467 1
1 214 . 9 1 1 A 24 24 THR HA H 24 4.787 4.303 0.484 1
1 219 . 9 1 1 A 24 24 THR C C 24 173.868 175.184 -1.316 1
1 220 . 9 1 1 A 24 24 THR CA C 24 58.268 59.455 -1.187 1
1 221 . 9 1 1 A 24 24 THR CB C 24 72.469 71.547 0.922 1
1 223 . 9 1 1 A 24 24 THR N N 24 103.056 111.733 -8.677 1
1 224 . 9 1 1 A 25 25 ARG H H 25 8.333 8.800 -0.467 1
1 225 . 9 1 1 A 25 25 ARG HA H 25 4.787 4.109 0.678 1
1 232 . 9 1 1 A 25 25 ARG C C 25 178.700 177.805 0.895 1
1 233 . 9 1 1 A 25 25 ARG CA C 25 58.670 59.935 -1.265 1
1 234 . 9 1 1 A 25 25 ARG CB C 25 29.210 30.276 -1.066 1
1 237 . 9 1 1 A 25 25 ARG N N 25 123.788 123.052 0.736 1
1 238 . 9 1 1 A 26 26 SER HA H 26 4.136 4.046 0.090 1
1 241 . 9 1 1 A 26 26 SER C C 26 176.659 177.108 -0.449 1
1 242 . 9 1 1 A 26 26 SER CA C 26 61.194 61.638 -0.444 1
1 243 . 9 1 1 A 26 26 SER CB C 26 62.241 63.066 -0.825 1
1 244 . 9 1 1 A 26 26 SER N N 26 116.000 113.767 2.233 1
1 245 . 9 1 1 A 27 27 ASN H H 27 7.748 7.801 -0.053 1
1 246 . 9 1 1 A 27 27 ASN HA H 27 4.390 4.452 -0.062 1
1 251 . 9 1 1 A 27 27 ASN C C 27 177.533 177.089 0.444 1
1 252 . 9 1 1 A 27 27 ASN CA C 27 55.425 56.188 -0.763 1
1 253 . 9 1 1 A 27 27 ASN CB C 27 38.124 39.901 -1.777 1
1 254 . 9 1 1 A 27 27 ASN N N 27 120.092 119.112 0.980 1
1 255 . 9 1 1 A 28 28 LEU H H 28 7.264 8.023 -0.759 1
1 256 . 9 1 1 A 28 28 LEU HA H 28 3.261 1.964 1.297 1
1 266 . 9 1 1 A 28 28 LEU C C 28 177.429 178.351 -0.922 1
1 267 . 9 1 1 A 28 28 LEU CA C 28 58.283 57.124 1.159 1
1 268 . 9 1 1 A 28 28 LEU CB C 28 40.483 41.651 -1.168 1
1 272 . 9 1 1 A 28 28 LEU N N 28 122.398 119.902 2.496 1
1 273 . 9 1 1 A 29 29 THR H H 29 8.649 8.232 0.417 1
1 274 . 9 1 1 A 29 29 THR HA H 29 3.970 3.809 0.161 1
1 279 . 9 1 1 A 29 29 THR C C 29 177.377 176.261 1.116 1
1 280 . 9 1 1 A 29 29 THR CA C 29 66.593 66.419 0.174 1
1 281 . 9 1 1 A 29 29 THR CB C 29 68.457 68.370 0.087 1
1 283 . 9 1 1 A 29 29 THR N N 29 116.386 113.882 2.504 1
1 284 . 9 1 1 A 30 30 THR H H 30 8.106 7.909 0.197 1
1 285 . 9 1 1 A 30 30 THR HA H 30 3.910 3.954 -0.044 1
1 290 . 9 1 1 A 30 30 THR C C 30 176.144 176.427 -0.283 1
1 291 . 9 1 1 A 30 30 THR CA C 30 66.260 66.003 0.257 1
1 292 . 9 1 1 A 30 30 THR CB C 30 68.792 68.897 -0.105 1
1 294 . 9 1 1 A 30 30 THR N N 30 117.533 115.898 1.635 1
1 295 . 9 1 1 A 31 31 HIS H H 31 7.341 7.698 -0.357 1
1 296 . 9 1 1 A 31 31 HIS HA H 31 4.205 4.224 -0.019 1
1 301 . 9 1 1 A 31 31 HIS C C 31 176.196 177.255 -1.059 1
1 302 . 9 1 1 A 31 31 HIS CA C 31 58.919 58.495 0.424 1
1 303 . 9 1 1 A 31 31 HIS CB C 31 28.268 30.067 -1.799 1
1 306 . 9 1 1 A 31 31 HIS N N 31 120.815 120.508 0.307 1
1 307 . 9 1 1 A 32 32 GLN H H 32 8.186 8.021 0.165 1
1 308 . 9 1 1 A 32 32 GLN HA H 32 3.562 3.938 -0.376 1
1 315 . 9 1 1 A 32 32 GLN C C 32 177.032 178.460 -1.428 1
1 316 . 9 1 1 A 32 32 GLN CA C 32 59.582 58.365 1.217 1
1 317 . 9 1 1 A 32 32 GLN CB C 32 28.457 28.698 -0.241 1
1 319 . 9 1 1 A 32 32 GLN N N 32 114.261 118.628 -4.367 1
1 321 . 9 1 1 A 33 33 VAL H H 33 6.965 7.489 -0.524 1
1 322 . 9 1 1 A 33 33 VAL HA H 33 3.868 3.822 0.046 1
1 330 . 9 1 1 A 33 33 VAL C C 33 178.168 178.303 -0.135 1
1 331 . 9 1 1 A 33 33 VAL CA C 33 64.658 65.972 -1.314 1
1 332 . 9 1 1 A 33 33 VAL CB C 33 31.715 31.603 0.112 1
1 335 . 9 1 1 A 33 33 VAL N N 33 117.665 119.892 -2.227 1
1 336 . 9 1 1 A 34 34 ILE H H 34 7.621 7.285 0.336 1
1 337 . 9 1 1 A 34 34 ILE HA H 34 3.941 3.697 0.244 1
1 347 . 9 1 1 A 34 34 ILE C C 34 177.076 176.744 0.332 1
1 348 . 9 1 1 A 34 34 ILE CA C 34 63.207 64.189 -0.982 1
1 349 . 9 1 1 A 34 34 ILE CB C 34 37.688 37.044 0.644 1
1 353 . 9 1 1 A 34 34 ILE N N 34 117.372 116.969 0.403 1
1 354 . 9 1 1 A 35 35 HIS H H 35 7.253 7.679 -0.426 1
1 355 . 9 1 1 A 35 35 HIS HA H 35 4.908 4.474 0.434 1
1 360 . 9 1 1 A 35 35 HIS C C 35 175.795 175.171 0.624 1
1 361 . 9 1 1 A 35 35 HIS CA C 35 54.926 57.483 -2.557 1
1 362 . 9 1 1 A 35 35 HIS CB C 35 28.529 30.429 -1.900 1
1 365 . 9 1 1 A 35 35 HIS N N 35 117.505 119.532 -2.027 1
1 366 . 9 1 1 A 36 36 THR H H 36 7.827 7.505 0.322 1
1 367 . 9 1 1 A 36 36 THR HA H 36 4.331 4.601 -0.270 1
1 372 . 9 1 1 A 36 36 THR C C 36 175.532 174.258 1.274 1
1 373 . 9 1 1 A 36 36 THR CA C 36 63.020 60.770 2.250 1
1 374 . 9 1 1 A 36 36 THR CB C 36 69.891 71.004 -1.113 1
1 376 . 9 1 1 A 36 36 THR N N 36 112.717 111.195 1.522 1
1 377 . 9 1 1 A 37 37 GLY H H 37 8.358 8.313 0.045 1
1 378 . 9 1 1 A 37 37 GLY HA2 H 37 4.010 4.144 -0.134 1
1 379 . 9 1 1 A 37 37 GLY HA3 H 37 4.010 4.148 -0.138 1
1 380 . 9 1 1 A 37 37 GLY C C 37 174.222 172.165 2.057 1
1 381 . 9 1 1 A 37 37 GLY CA C 37 45.394 46.029 -0.635 1
1 382 . 9 1 1 A 37 37 GLY N N 37 110.814 108.634 2.180 1
1 383 . 9 1 1 A 38 38 GLU H H 38 8.119 8.914 -0.795 1
1 384 . 9 1 1 A 38 38 GLU HA H 38 4.233 4.961 -0.728 1
1 389 . 9 1 1 A 38 38 GLU C C 38 176.521 174.220 2.301 1
1 390 . 9 1 1 A 38 38 GLU CA C 38 56.698 55.494 1.204 1
1 391 . 9 1 1 A 38 38 GLU CB C 38 30.459 32.401 -1.942 1
1 393 . 9 1 1 A 38 38 GLU N N 38 120.653 123.375 -2.722 1
1 394 . 9 1 1 A 39 39 LYS H H 39 8.372 9.065 -0.693 1
1 395 . 9 1 1 A 39 39 LYS HA H 39 4.325 4.950 -0.625 1
1 404 . 9 1 1 A 39 39 LYS C C 39 176.520 174.510 2.010 1
1 405 . 9 1 1 A 39 39 LYS CA C 39 56.254 55.149 1.105 1
1 406 . 9 1 1 A 39 39 LYS CB C 39 32.719 33.305 -0.586 1
1 410 . 9 1 1 A 39 39 LYS N N 39 122.536 128.435 -5.899 1
1 411 . 9 1 1 A 40 40 ARG H H 40 8.435 9.017 -0.582 1
1 412 . 9 1 1 A 40 40 ARG HA H 40 4.407 4.980 -0.573 1
1 419 . 9 1 1 A 40 40 ARG C C 40 176.290 175.182 1.108 1
1 420 . 9 1 1 A 40 40 ARG CA C 40 56.011 54.616 1.395 1
1 421 . 9 1 1 A 40 40 ARG CB C 40 30.978 32.155 -1.177 1
1 424 . 9 1 1 A 40 40 ARG N N 40 122.912 128.509 -5.597 1
1 425 . 9 1 1 A 41 41 SER H H 41 8.428 8.722 -0.294 1
1 426 . 9 1 1 A 41 41 SER HA H 41 4.507 5.084 -0.577 1
1 429 . 9 1 1 A 41 41 SER C C 41 174.450 174.214 0.236 1
1 430 . 9 1 1 A 41 41 SER CA C 41 58.208 56.840 1.368 1
1 431 . 9 1 1 A 41 41 SER CB C 41 64.046 66.211 -2.165 1
1 432 . 9 1 1 A 41 41 SER N N 41 117.335 119.365 -2.030 1
1 433 . 9 1 1 A 42 42 GLY H H 42 8.265 8.598 -0.333 1
1 434 . 9 1 1 A 42 42 GLY HA2 H 42 4.149 4.038 0.111 1
1 435 . 9 1 1 A 42 42 GLY HA3 H 42 4.115 4.038 0.077 1
1 436 . 9 1 1 A 42 42 GLY C C 42 171.715 173.869 -2.154 1
1 437 . 9 1 1 A 42 42 GLY CA C 42 44.661 44.913 -0.252 1
1 438 . 9 1 1 A 42 42 GLY N N 42 110.713 109.513 1.200 1
1 439 . 9 1 1 A 43 43 PRO HA H 43 4.476 4.492 -0.016 1
1 446 . 9 1 1 A 43 43 PRO C C 43 177.405 176.779 0.626 1
1 447 . 9 1 1 A 43 43 PRO CA C 43 63.215 62.455 0.760 1
1 448 . 9 1 1 A 43 43 PRO CB C 43 32.224 32.276 -0.052 1
1 451 . 9 1 1 A 44 44 SER H H 44 8.543 8.548 -0.005 1
1 452 . 9 1 1 A 44 44 SER HA H 44 4.507 4.377 0.130 1
1 455 . 9 1 1 A 44 44 SER C C 44 174.588 173.776 0.812 1
1 456 . 9 1 1 A 44 44 SER CA C 44 58.352 58.601 -0.249 1
1 457 . 9 1 1 A 44 44 SER CB C 44 63.989 63.651 0.338 1
1 458 . 9 1 1 A 44 44 SER N N 44 116.402 115.417 0.985 1
1 459 . 9 1 1 A 45 45 SER H H 45 8.318 8.687 -0.369 1
1 460 . 9 1 1 A 45 45 SER HA H 45 4.508 4.779 -0.271 1
1 463 . 9 1 1 A 45 45 SER C C 45 173.887 173.857 0.030 1
1 464 . 9 1 1 A 45 45 SER CA C 45 58.286 58.215 0.071 1
1 465 . 9 1 1 A 45 45 SER CB C 45 64.037 65.728 -1.691 1
1 466 . 9 1 1 A 45 45 SER N N 45 117.792 118.834 -1.042 1
1 1 . 10 1 1 A 7 7 GLY HA2 H 7 3.998 4.235 -0.237 1
1 2 . 10 1 1 A 7 7 GLY HA3 H 7 3.998 4.237 -0.239 1
1 3 . 10 1 1 A 7 7 GLY C C 7 174.369 172.544 1.825 1
1 4 . 10 1 1 A 7 7 GLY CA C 7 45.413 45.769 -0.356 1
1 5 . 10 1 1 A 8 8 THR H H 8 8.058 8.523 -0.465 1
1 6 . 10 1 1 A 8 8 THR HA H 8 4.332 4.939 -0.607 1
1 11 . 10 1 1 A 8 8 THR C C 8 174.812 174.169 0.643 1
1 12 . 10 1 1 A 8 8 THR CA C 8 61.812 60.063 1.749 1
1 13 . 10 1 1 A 8 8 THR CB C 8 69.909 71.323 -1.414 1
1 15 . 10 1 1 A 8 8 THR N N 8 113.853 112.107 1.746 1
1 16 . 10 1 1 A 9 9 LYS H H 9 8.368 9.094 -0.726 1
1 17 . 10 1 1 A 9 9 LYS HA H 9 4.234 3.897 0.337 1
1 26 . 10 1 1 A 9 9 LYS C C 9 176.726 175.092 1.634 1
1 27 . 10 1 1 A 9 9 LYS CA C 9 56.616 57.458 -0.842 1
1 28 . 10 1 1 A 9 9 LYS CB C 9 32.666 31.246 1.420 1
1 32 . 10 1 1 A 9 9 LYS N N 9 122.996 121.918 1.078 1
1 33 . 10 1 1 A 10 10 GLU H H 10 8.247 7.575 0.672 1
1 34 . 10 1 1 A 10 10 GLU HA H 10 4.120 4.651 -0.531 1
1 39 . 10 1 1 A 10 10 GLU C C 10 176.223 174.977 1.246 1
1 40 . 10 1 1 A 10 10 GLU CA C 10 57.320 55.016 2.304 1
1 41 . 10 1 1 A 10 10 GLU CB C 10 30.234 32.074 -1.840 1
1 43 . 10 1 1 A 10 10 GLU N N 10 120.550 114.567 5.983 1
1 44 . 10 1 1 A 11 11 LYS H H 11 8.016 8.790 -0.774 1
1 45 . 10 1 1 A 11 11 LYS HA H 11 4.517 3.839 0.678 1
1 54 . 10 1 1 A 11 11 LYS C C 11 173.757 176.801 -3.044 1
1 55 . 10 1 1 A 11 11 LYS CA C 11 53.783 56.901 -3.118 1
1 56 . 10 1 1 A 11 11 LYS CB C 11 33.260 30.409 2.851 1
1 60 . 10 1 1 A 11 11 LYS N N 11 119.846 118.763 1.083 1
1 61 . 10 1 1 A 12 12 PRO HA H 12 4.272 4.549 -0.277 1
1 68 . 10 1 1 A 12 12 PRO C C 12 176.667 176.250 0.417 1
1 69 . 10 1 1 A 12 12 PRO CA C 12 63.412 65.347 -1.935 1
1 70 . 10 1 1 A 12 12 PRO CB C 12 32.362 31.906 0.456 1
1 73 . 10 1 1 A 13 13 TYR H H 13 7.801 7.610 0.191 1
1 74 . 10 1 1 A 13 13 TYR HA H 13 4.578 4.665 -0.087 1
1 81 . 10 1 1 A 13 13 TYR C C 13 174.321 174.934 -0.613 1
1 82 . 10 1 1 A 13 13 TYR CA C 13 57.814 58.251 -0.437 1
1 83 . 10 1 1 A 13 13 TYR CB C 13 38.437 38.534 -0.097 1
1 88 . 10 1 1 A 13 13 TYR N N 13 118.297 118.139 0.158 1
1 89 . 10 1 1 A 14 14 LYS H H 14 8.450 8.909 -0.459 1
1 90 . 10 1 1 A 14 14 LYS HA H 14 4.734 5.340 -0.606 1
1 99 . 10 1 1 A 14 14 LYS C C 14 174.596 175.641 -1.045 1
1 100 . 10 1 1 A 14 14 LYS CA C 14 55.254 54.441 0.813 1
1 101 . 10 1 1 A 14 14 LYS CB C 14 35.279 35.513 -0.234 1
1 105 . 10 1 1 A 14 14 LYS N N 14 125.533 125.304 0.229 1
1 106 . 10 1 1 A 15 15 CYS H H 15 9.186 9.174 0.012 1
1 107 . 10 1 1 A 15 15 CYS HA H 15 4.563 4.397 0.166 1
1 110 . 10 1 1 A 15 15 CYS C C 15 176.896 175.656 1.240 1
1 111 . 10 1 1 A 15 15 CYS CA C 15 58.735 59.116 -0.381 1
1 112 . 10 1 1 A 15 15 CYS CB C 15 29.404 28.289 1.115 1
1 113 . 10 1 1 A 15 15 CYS N N 15 126.149 125.431 0.718 1
1 114 . 10 1 1 A 16 16 TYR H H 16 9.138 7.898 1.240 1
1 115 . 10 1 1 A 16 16 TYR HA H 16 4.325 4.323 0.002 1
1 122 . 10 1 1 A 16 16 TYR C C 16 176.155 177.849 -1.694 1
1 123 . 10 1 1 A 16 16 TYR CA C 16 60.508 60.933 -0.425 1
1 124 . 10 1 1 A 16 16 TYR CB C 16 37.564 37.621 -0.057 1
1 129 . 10 1 1 A 16 16 TYR N N 16 130.571 126.124 4.447 1
1 130 . 10 1 1 A 17 17 GLU H H 17 8.405 8.233 0.172 1
1 131 . 10 1 1 A 17 17 GLU HA H 17 4.138 4.073 0.065 1
1 136 . 10 1 1 A 17 17 GLU C C 17 177.140 177.820 -0.680 1
1 137 . 10 1 1 A 17 17 GLU CA C 17 58.636 58.831 -0.195 1
1 138 . 10 1 1 A 17 17 GLU CB C 17 29.210 29.473 -0.263 1
1 140 . 10 1 1 A 17 17 GLU N N 17 120.856 120.565 0.291 1
1 141 . 10 1 1 A 18 18 CYS H H 18 7.766 7.922 -0.156 1
1 142 . 10 1 1 A 18 18 CYS HA H 18 5.158 4.703 0.455 1
1 145 . 10 1 1 A 18 18 CYS C C 18 176.122 175.652 0.470 1
1 146 . 10 1 1 A 18 18 CYS CA C 18 58.203 59.350 -1.147 1
1 147 . 10 1 1 A 18 18 CYS CB C 18 32.419 30.198 2.221 1
1 148 . 10 1 1 A 18 18 CYS N N 18 113.779 114.912 -1.133 1
1 149 . 10 1 1 A 19 19 GLY H H 19 8.233 8.176 0.057 1
1 150 . 10 1 1 A 19 19 GLY HA2 H 19 3.693 4.100 -0.407 1
1 151 . 10 1 1 A 19 19 GLY HA3 H 19 4.262 4.122 0.140 1
1 152 . 10 1 1 A 19 19 GLY C C 19 173.845 174.537 -0.692 1
1 153 . 10 1 1 A 19 19 GLY CA C 19 46.274 44.982 1.292 1
1 154 . 10 1 1 A 19 19 GLY N N 19 113.979 110.077 3.902 1
1 155 . 10 1 1 A 20 20 LYS H H 20 7.886 7.444 0.442 1
1 156 . 10 1 1 A 20 20 LYS HA H 20 3.959 4.247 -0.288 1
1 165 . 10 1 1 A 20 20 LYS C C 20 173.244 175.121 -1.877 1
1 166 . 10 1 1 A 20 20 LYS CA C 20 58.013 56.213 1.800 1
1 167 . 10 1 1 A 20 20 LYS CB C 20 33.996 34.115 -0.119 1
1 171 . 10 1 1 A 20 20 LYS N N 20 122.721 120.325 2.396 1
1 172 . 10 1 1 A 21 21 ALA H H 21 7.714 7.724 -0.010 1
1 173 . 10 1 1 A 21 21 ALA HA H 21 5.064 5.531 -0.467 1
1 177 . 10 1 1 A 21 21 ALA C C 21 175.915 174.945 0.970 1
1 178 . 10 1 1 A 21 21 ALA CA C 21 50.272 50.136 0.136 1
1 179 . 10 1 1 A 21 21 ALA CB C 21 22.367 23.870 -1.503 1
1 180 . 10 1 1 A 21 21 ALA N N 21 122.778 120.287 2.491 1
1 181 . 10 1 1 A 22 22 PHE H H 22 8.686 8.776 -0.090 1
1 182 . 10 1 1 A 22 22 PHE HA H 22 4.724 4.825 -0.101 1
1 190 . 10 1 1 A 22 22 PHE C C 22 175.341 175.571 -0.230 1
1 191 . 10 1 1 A 22 22 PHE CA C 22 57.367 56.535 0.832 1
1 192 . 10 1 1 A 22 22 PHE CB C 22 43.930 43.175 0.755 1
1 198 . 10 1 1 A 22 22 PHE N N 22 116.150 116.335 -0.185 1
1 199 . 10 1 1 A 23 23 ARG H H 23 9.607 8.831 0.776 1
1 200 . 10 1 1 A 23 23 ARG HA H 23 4.514 4.167 0.347 1
1 207 . 10 1 1 A 23 23 ARG C C 23 176.305 176.313 -0.008 1
1 208 . 10 1 1 A 23 23 ARG CA C 23 58.710 58.897 -0.187 1
1 209 . 10 1 1 A 23 23 ARG CB C 23 32.010 30.672 1.338 1
1 212 . 10 1 1 A 23 23 ARG N N 23 120.730 122.308 -1.578 1
1 213 . 10 1 1 A 24 24 THR H H 24 7.231 7.719 -0.488 1
1 214 . 10 1 1 A 24 24 THR HA H 24 4.787 4.344 0.443 1
1 219 . 10 1 1 A 24 24 THR C C 24 173.868 175.224 -1.356 1
1 220 . 10 1 1 A 24 24 THR CA C 24 58.268 59.604 -1.336 1
1 221 . 10 1 1 A 24 24 THR CB C 24 72.469 70.955 1.514 1
1 223 . 10 1 1 A 24 24 THR N N 24 103.056 111.528 -8.472 1
1 224 . 10 1 1 A 25 25 ARG H H 25 8.333 8.764 -0.431 1
1 225 . 10 1 1 A 25 25 ARG HA H 25 4.787 4.069 0.718 1
1 232 . 10 1 1 A 25 25 ARG C C 25 178.700 177.693 1.007 1
1 233 . 10 1 1 A 25 25 ARG CA C 25 58.670 59.600 -0.930 1
1 234 . 10 1 1 A 25 25 ARG CB C 25 29.210 30.356 -1.146 1
1 237 . 10 1 1 A 25 25 ARG N N 25 123.788 123.013 0.775 1
1 238 . 10 1 1 A 26 26 SER HA H 26 4.136 4.053 0.083 1
1 241 . 10 1 1 A 26 26 SER C C 26 176.659 176.993 -0.334 1
1 242 . 10 1 1 A 26 26 SER CA C 26 61.194 61.621 -0.427 1
1 243 . 10 1 1 A 26 26 SER CB C 26 62.241 63.056 -0.815 1
1 244 . 10 1 1 A 26 26 SER N N 26 116.000 113.754 2.246 1
1 245 . 10 1 1 A 27 27 ASN H H 27 7.748 7.844 -0.096 1
1 246 . 10 1 1 A 27 27 ASN HA H 27 4.390 4.462 -0.072 1
1 251 . 10 1 1 A 27 27 ASN C C 27 177.533 177.178 0.355 1
1 252 . 10 1 1 A 27 27 ASN CA C 27 55.425 56.288 -0.863 1
1 253 . 10 1 1 A 27 27 ASN CB C 27 38.124 39.482 -1.358 1
1 254 . 10 1 1 A 27 27 ASN N N 27 120.092 119.004 1.088 1
1 255 . 10 1 1 A 28 28 LEU H H 28 7.264 8.019 -0.755 1
1 256 . 10 1 1 A 28 28 LEU HA H 28 3.261 1.975 1.286 1
1 266 . 10 1 1 A 28 28 LEU C C 28 177.429 178.311 -0.882 1
1 267 . 10 1 1 A 28 28 LEU CA C 28 58.283 57.120 1.163 1
1 268 . 10 1 1 A 28 28 LEU CB C 28 40.483 41.680 -1.197 1
1 272 . 10 1 1 A 28 28 LEU N N 28 122.398 119.716 2.682 1
1 273 . 10 1 1 A 29 29 THR H H 29 8.649 8.176 0.473 1
1 274 . 10 1 1 A 29 29 THR HA H 29 3.970 3.818 0.152 1
1 279 . 10 1 1 A 29 29 THR C C 29 177.377 176.158 1.219 1
1 280 . 10 1 1 A 29 29 THR CA C 29 66.593 66.463 0.130 1
1 281 . 10 1 1 A 29 29 THR CB C 29 68.457 68.384 0.073 1
1 283 . 10 1 1 A 29 29 THR N N 29 116.386 113.831 2.555 1
1 284 . 10 1 1 A 30 30 THR H H 30 8.106 7.882 0.224 1
1 285 . 10 1 1 A 30 30 THR HA H 30 3.910 3.976 -0.066 1
1 290 . 10 1 1 A 30 30 THR C C 30 176.144 176.388 -0.244 1
1 291 . 10 1 1 A 30 30 THR CA C 30 66.260 65.886 0.374 1
1 292 . 10 1 1 A 30 30 THR CB C 30 68.792 68.695 0.097 1
1 294 . 10 1 1 A 30 30 THR N N 30 117.533 115.936 1.597 1
1 295 . 10 1 1 A 31 31 HIS H H 31 7.341 7.759 -0.418 1
1 296 . 10 1 1 A 31 31 HIS HA H 31 4.205 4.289 -0.084 1
1 301 . 10 1 1 A 31 31 HIS C C 31 176.196 177.285 -1.089 1
1 302 . 10 1 1 A 31 31 HIS CA C 31 58.919 58.563 0.356 1
1 303 . 10 1 1 A 31 31 HIS CB C 31 28.268 30.054 -1.786 1
1 306 . 10 1 1 A 31 31 HIS N N 31 120.815 120.210 0.605 1
1 307 . 10 1 1 A 32 32 GLN H H 32 8.186 8.055 0.131 1
1 308 . 10 1 1 A 32 32 GLN HA H 32 3.562 3.983 -0.421 1
1 315 . 10 1 1 A 32 32 GLN C C 32 177.032 178.370 -1.338 1
1 316 . 10 1 1 A 32 32 GLN CA C 32 59.582 58.250 1.332 1
1 317 . 10 1 1 A 32 32 GLN CB C 32 28.457 28.611 -0.154 1
1 319 . 10 1 1 A 32 32 GLN N N 32 114.261 118.570 -4.309 1
1 321 . 10 1 1 A 33 33 VAL H H 33 6.965 7.467 -0.502 1
1 322 . 10 1 1 A 33 33 VAL HA H 33 3.868 3.632 0.236 1
1 330 . 10 1 1 A 33 33 VAL C C 33 178.168 178.060 0.108 1
1 331 . 10 1 1 A 33 33 VAL CA C 33 64.658 65.676 -1.018 1
1 332 . 10 1 1 A 33 33 VAL CB C 33 31.715 31.726 -0.011 1
1 335 . 10 1 1 A 33 33 VAL N N 33 117.665 120.271 -2.606 1
1 336 . 10 1 1 A 34 34 ILE H H 34 7.621 7.232 0.389 1
1 337 . 10 1 1 A 34 34 ILE HA H 34 3.941 3.711 0.230 1
1 347 . 10 1 1 A 34 34 ILE C C 34 177.076 176.603 0.473 1
1 348 . 10 1 1 A 34 34 ILE CA C 34 63.207 63.795 -0.588 1
1 349 . 10 1 1 A 34 34 ILE CB C 34 37.688 37.019 0.669 1
1 353 . 10 1 1 A 34 34 ILE N N 34 117.372 116.918 0.454 1
1 354 . 10 1 1 A 35 35 HIS H H 35 7.253 7.757 -0.504 1
1 355 . 10 1 1 A 35 35 HIS HA H 35 4.908 4.477 0.431 1
1 360 . 10 1 1 A 35 35 HIS C C 35 175.795 175.737 0.058 1
1 361 . 10 1 1 A 35 35 HIS CA C 35 54.926 57.592 -2.666 1
1 362 . 10 1 1 A 35 35 HIS CB C 35 28.529 30.348 -1.819 1
1 365 . 10 1 1 A 35 35 HIS N N 35 117.505 119.440 -1.935 1
1 366 . 10 1 1 A 36 36 THR H H 36 7.827 7.658 0.169 1
1 367 . 10 1 1 A 36 36 THR HA H 36 4.331 4.376 -0.045 1
1 372 . 10 1 1 A 36 36 THR C C 36 175.532 175.077 0.455 1
1 373 . 10 1 1 A 36 36 THR CA C 36 63.020 61.387 1.633 1
1 374 . 10 1 1 A 36 36 THR CB C 36 69.891 68.477 1.414 1
1 376 . 10 1 1 A 36 36 THR N N 36 112.717 108.744 3.973 1
1 377 . 10 1 1 A 37 37 GLY H H 37 8.358 8.532 -0.174 1
1 378 . 10 1 1 A 37 37 GLY HA2 H 37 4.010 4.054 -0.044 1
1 379 . 10 1 1 A 37 37 GLY HA3 H 37 4.010 4.055 -0.045 1
1 380 . 10 1 1 A 37 37 GLY C C 37 174.222 175.068 -0.846 1
1 381 . 10 1 1 A 37 37 GLY CA C 37 45.394 44.611 0.783 1
1 382 . 10 1 1 A 37 37 GLY N N 37 110.814 111.036 -0.222 1
1 383 . 10 1 1 A 38 38 GLU H H 38 8.119 8.449 -0.330 1
1 384 . 10 1 1 A 38 38 GLU HA H 38 4.233 4.062 0.171 1
1 389 . 10 1 1 A 38 38 GLU C C 38 176.521 177.665 -1.144 1
1 390 . 10 1 1 A 38 38 GLU CA C 38 56.698 59.566 -2.868 1
1 391 . 10 1 1 A 38 38 GLU CB C 38 30.459 29.550 0.909 1
1 393 . 10 1 1 A 38 38 GLU N N 38 120.653 125.147 -4.494 1
1 394 . 10 1 1 A 39 39 LYS H H 39 8.372 8.258 0.114 1
1 395 . 10 1 1 A 39 39 LYS HA H 39 4.325 4.329 -0.004 1
1 404 . 10 1 1 A 39 39 LYS C C 39 176.520 176.464 0.056 1
1 405 . 10 1 1 A 39 39 LYS CA C 39 56.254 56.002 0.252 1
1 406 . 10 1 1 A 39 39 LYS CB C 39 32.719 31.260 1.459 1
1 410 . 10 1 1 A 39 39 LYS N N 39 122.536 116.940 5.596 1
1 411 . 10 1 1 A 40 40 ARG H H 40 8.435 8.702 -0.267 1
1 412 . 10 1 1 A 40 40 ARG HA H 40 4.407 4.327 0.080 1
1 419 . 10 1 1 A 40 40 ARG C C 40 176.290 176.444 -0.154 1
1 420 . 10 1 1 A 40 40 ARG CA C 40 56.011 58.029 -2.018 1
1 421 . 10 1 1 A 40 40 ARG CB C 40 30.978 31.126 -0.148 1
1 424 . 10 1 1 A 40 40 ARG N N 40 122.912 123.577 -0.665 1
1 425 . 10 1 1 A 41 41 SER H H 41 8.428 7.980 0.448 1
1 426 . 10 1 1 A 41 41 SER HA H 41 4.507 4.516 -0.009 1
1 429 . 10 1 1 A 41 41 SER C C 41 174.450 174.245 0.205 1
1 430 . 10 1 1 A 41 41 SER CA C 41 58.208 57.794 0.414 1
1 431 . 10 1 1 A 41 41 SER CB C 41 64.046 62.518 1.528 1
1 432 . 10 1 1 A 41 41 SER N N 41 117.335 112.156 5.179 1
1 433 . 10 1 1 A 42 42 GLY H H 42 8.265 8.124 0.141 1
1 434 . 10 1 1 A 42 42 GLY HA2 H 42 4.149 4.083 0.066 1
1 435 . 10 1 1 A 42 42 GLY HA3 H 42 4.115 4.083 0.032 1
1 436 . 10 1 1 A 42 42 GLY C C 42 171.715 173.145 -1.430 1
1 437 . 10 1 1 A 42 42 GLY CA C 42 44.661 44.548 0.113 1
1 438 . 10 1 1 A 42 42 GLY N N 42 110.713 111.631 -0.918 1
1 439 . 10 1 1 A 43 43 PRO HA H 43 4.476 4.567 -0.091 1
1 446 . 10 1 1 A 43 43 PRO C C 43 177.405 177.102 0.303 1
1 447 . 10 1 1 A 43 43 PRO CA C 43 63.215 62.671 0.544 1
1 448 . 10 1 1 A 43 43 PRO CB C 43 32.224 31.442 0.782 1
1 451 . 10 1 1 A 44 44 SER H H 44 8.543 8.588 -0.045 1
1 452 . 10 1 1 A 44 44 SER HA H 44 4.507 4.415 0.092 1
1 455 . 10 1 1 A 44 44 SER C C 44 174.588 174.652 -0.064 1
1 456 . 10 1 1 A 44 44 SER CA C 44 58.352 59.111 -0.759 1
1 457 . 10 1 1 A 44 44 SER CB C 44 63.989 63.361 0.628 1
1 458 . 10 1 1 A 44 44 SER N N 44 116.402 115.982 0.420 1
1 459 . 10 1 1 A 45 45 SER H H 45 8.318 8.688 -0.370 1
1 460 . 10 1 1 A 45 45 SER HA H 45 4.508 5.333 -0.825 1
1 463 . 10 1 1 A 45 45 SER C C 45 173.887 173.197 0.690 1
1 464 . 10 1 1 A 45 45 SER CA C 45 58.286 57.225 1.061 1
1 465 . 10 1 1 A 45 45 SER CB C 45 64.037 66.767 -2.730 1
1 466 . 10 1 1 A 45 45 SER N N 45 117.792 119.554 -1.762 1
1 1 . 11 1 1 A 7 7 GLY HA2 H 7 3.998 4.050 -0.052 1
1 2 . 11 1 1 A 7 7 GLY HA3 H 7 3.998 4.051 -0.053 1
1 3 . 11 1 1 A 7 7 GLY C C 7 174.369 173.112 1.257 1
1 4 . 11 1 1 A 7 7 GLY CA C 7 45.413 44.515 0.898 1
1 5 . 11 1 1 A 8 8 THR H H 8 8.058 8.183 -0.125 1
1 6 . 11 1 1 A 8 8 THR HA H 8 4.332 4.429 -0.097 1
1 11 . 11 1 1 A 8 8 THR C C 8 174.812 174.846 -0.034 1
1 12 . 11 1 1 A 8 8 THR CA C 8 61.812 62.176 -0.364 1
1 13 . 11 1 1 A 8 8 THR CB C 8 69.909 67.632 2.277 1
1 15 . 11 1 1 A 8 8 THR N N 8 113.853 117.101 -3.248 1
1 16 . 11 1 1 A 9 9 LYS H H 9 8.368 8.350 0.018 1
1 17 . 11 1 1 A 9 9 LYS HA H 9 4.234 4.360 -0.126 1
1 26 . 11 1 1 A 9 9 LYS C C 9 176.726 176.242 0.484 1
1 27 . 11 1 1 A 9 9 LYS CA C 9 56.616 57.742 -1.126 1
1 28 . 11 1 1 A 9 9 LYS CB C 9 32.666 32.677 -0.011 1
1 32 . 11 1 1 A 9 9 LYS N N 9 122.996 127.849 -4.853 1
1 33 . 11 1 1 A 10 10 GLU H H 10 8.247 7.892 0.355 1
1 34 . 11 1 1 A 10 10 GLU HA H 10 4.120 4.632 -0.512 1
1 39 . 11 1 1 A 10 10 GLU C C 10 176.223 176.146 0.077 1
1 40 . 11 1 1 A 10 10 GLU CA C 10 57.320 54.202 3.118 1
1 41 . 11 1 1 A 10 10 GLU CB C 10 30.234 32.468 -2.234 1
1 43 . 11 1 1 A 10 10 GLU N N 10 120.550 120.311 0.239 1
1 44 . 11 1 1 A 11 11 LYS H H 11 8.016 8.793 -0.777 1
1 45 . 11 1 1 A 11 11 LYS HA H 11 4.517 3.861 0.656 1
1 54 . 11 1 1 A 11 11 LYS C C 11 173.757 176.625 -2.868 1
1 55 . 11 1 1 A 11 11 LYS CA C 11 53.783 56.694 -2.911 1
1 56 . 11 1 1 A 11 11 LYS CB C 11 33.260 30.075 3.185 1
1 60 . 11 1 1 A 11 11 LYS N N 11 119.846 120.163 -0.317 1
1 61 . 11 1 1 A 12 12 PRO HA H 12 4.272 4.609 -0.337 1
1 68 . 11 1 1 A 12 12 PRO C C 12 176.667 176.175 0.492 1
1 69 . 11 1 1 A 12 12 PRO CA C 12 63.412 65.253 -1.841 1
1 70 . 11 1 1 A 12 12 PRO CB C 12 32.362 31.880 0.482 1
1 73 . 11 1 1 A 13 13 TYR H H 13 7.801 7.609 0.192 1
1 74 . 11 1 1 A 13 13 TYR HA H 13 4.578 4.666 -0.088 1
1 81 . 11 1 1 A 13 13 TYR C C 13 174.321 174.897 -0.576 1
1 82 . 11 1 1 A 13 13 TYR CA C 13 57.814 58.214 -0.400 1
1 83 . 11 1 1 A 13 13 TYR CB C 13 38.437 38.735 -0.298 1
1 88 . 11 1 1 A 13 13 TYR N N 13 118.297 117.985 0.312 1
1 89 . 11 1 1 A 14 14 LYS H H 14 8.450 8.907 -0.457 1
1 90 . 11 1 1 A 14 14 LYS HA H 14 4.734 5.333 -0.599 1
1 99 . 11 1 1 A 14 14 LYS C C 14 174.596 175.697 -1.101 1
1 100 . 11 1 1 A 14 14 LYS CA C 14 55.254 54.294 0.960 1
1 101 . 11 1 1 A 14 14 LYS CB C 14 35.279 35.781 -0.502 1
1 105 . 11 1 1 A 14 14 LYS N N 14 125.533 125.378 0.155 1
1 106 . 11 1 1 A 15 15 CYS H H 15 9.186 9.152 0.034 1
1 107 . 11 1 1 A 15 15 CYS HA H 15 4.563 4.466 0.097 1
1 110 . 11 1 1 A 15 15 CYS C C 15 176.896 175.882 1.014 1
1 111 . 11 1 1 A 15 15 CYS CA C 15 58.735 59.195 -0.460 1
1 112 . 11 1 1 A 15 15 CYS CB C 15 29.404 28.493 0.911 1
1 113 . 11 1 1 A 15 15 CYS N N 15 126.149 125.114 1.035 1
1 114 . 11 1 1 A 16 16 TYR H H 16 9.138 8.107 1.031 1
1 115 . 11 1 1 A 16 16 TYR HA H 16 4.325 4.367 -0.042 1
1 122 . 11 1 1 A 16 16 TYR C C 16 176.155 177.605 -1.450 1
1 123 . 11 1 1 A 16 16 TYR CA C 16 60.508 60.830 -0.322 1
1 124 . 11 1 1 A 16 16 TYR CB C 16 37.564 37.430 0.134 1
1 129 . 11 1 1 A 16 16 TYR N N 16 130.571 126.222 4.349 1
1 130 . 11 1 1 A 17 17 GLU H H 17 8.405 8.077 0.328 1
1 131 . 11 1 1 A 17 17 GLU HA H 17 4.138 4.037 0.101 1
1 136 . 11 1 1 A 17 17 GLU C C 17 177.140 177.800 -0.660 1
1 137 . 11 1 1 A 17 17 GLU CA C 17 58.636 58.652 -0.016 1
1 138 . 11 1 1 A 17 17 GLU CB C 17 29.210 29.575 -0.365 1
1 140 . 11 1 1 A 17 17 GLU N N 17 120.856 120.542 0.314 1
1 141 . 11 1 1 A 18 18 CYS H H 18 7.766 7.990 -0.224 1
1 142 . 11 1 1 A 18 18 CYS HA H 18 5.158 4.702 0.456 1
1 145 . 11 1 1 A 18 18 CYS C C 18 176.122 175.640 0.482 1
1 146 . 11 1 1 A 18 18 CYS CA C 18 58.203 59.401 -1.198 1
1 147 . 11 1 1 A 18 18 CYS CB C 18 32.419 30.081 2.338 1
1 148 . 11 1 1 A 18 18 CYS N N 18 113.779 114.972 -1.193 1
1 149 . 11 1 1 A 19 19 GLY H H 19 8.233 7.969 0.264 1
1 150 . 11 1 1 A 19 19 GLY HA2 H 19 3.693 4.095 -0.402 1
1 151 . 11 1 1 A 19 19 GLY HA3 H 19 4.262 4.116 0.146 1
1 152 . 11 1 1 A 19 19 GLY C C 19 173.845 174.702 -0.857 1
1 153 . 11 1 1 A 19 19 GLY CA C 19 46.274 45.058 1.216 1
1 154 . 11 1 1 A 19 19 GLY N N 19 113.979 109.901 4.078 1
1 155 . 11 1 1 A 20 20 LYS H H 20 7.886 7.409 0.477 1
1 156 . 11 1 1 A 20 20 LYS HA H 20 3.959 4.289 -0.330 1
1 165 . 11 1 1 A 20 20 LYS C C 20 173.244 175.034 -1.790 1
1 166 . 11 1 1 A 20 20 LYS CA C 20 58.013 55.992 2.021 1
1 167 . 11 1 1 A 20 20 LYS CB C 20 33.996 33.982 0.014 1
1 171 . 11 1 1 A 20 20 LYS N N 20 122.721 120.137 2.584 1
1 172 . 11 1 1 A 21 21 ALA H H 21 7.714 7.721 -0.007 1
1 173 . 11 1 1 A 21 21 ALA HA H 21 5.064 5.523 -0.459 1
1 177 . 11 1 1 A 21 21 ALA C C 21 175.915 174.954 0.961 1
1 178 . 11 1 1 A 21 21 ALA CA C 21 50.272 50.286 -0.014 1
1 179 . 11 1 1 A 21 21 ALA CB C 21 22.367 23.860 -1.493 1
1 180 . 11 1 1 A 21 21 ALA N N 21 122.778 119.893 2.885 1
1 181 . 11 1 1 A 22 22 PHE H H 22 8.686 8.966 -0.280 1
1 182 . 11 1 1 A 22 22 PHE HA H 22 4.724 4.847 -0.123 1
1 190 . 11 1 1 A 22 22 PHE C C 22 175.341 175.576 -0.235 1
1 191 . 11 1 1 A 22 22 PHE CA C 22 57.367 56.533 0.834 1
1 192 . 11 1 1 A 22 22 PHE CB C 22 43.930 43.237 0.693 1
1 198 . 11 1 1 A 22 22 PHE N N 22 116.150 116.305 -0.155 1
1 199 . 11 1 1 A 23 23 ARG H H 23 9.607 8.872 0.735 1
1 200 . 11 1 1 A 23 23 ARG HA H 23 4.514 4.169 0.345 1
1 207 . 11 1 1 A 23 23 ARG C C 23 176.305 176.247 0.058 1
1 208 . 11 1 1 A 23 23 ARG CA C 23 58.710 58.790 -0.080 1
1 209 . 11 1 1 A 23 23 ARG CB C 23 32.010 30.853 1.157 1
1 212 . 11 1 1 A 23 23 ARG N N 23 120.730 122.173 -1.443 1
1 213 . 11 1 1 A 24 24 THR H H 24 7.231 7.685 -0.454 1
1 214 . 11 1 1 A 24 24 THR HA H 24 4.787 4.300 0.487 1
1 219 . 11 1 1 A 24 24 THR C C 24 173.868 175.134 -1.266 1
1 220 . 11 1 1 A 24 24 THR CA C 24 58.268 59.177 -0.909 1
1 221 . 11 1 1 A 24 24 THR CB C 24 72.469 71.830 0.639 1
1 223 . 11 1 1 A 24 24 THR N N 24 103.056 111.740 -8.684 1
1 224 . 11 1 1 A 25 25 ARG H H 25 8.333 8.859 -0.526 1
1 225 . 11 1 1 A 25 25 ARG HA H 25 4.787 4.142 0.645 1
1 232 . 11 1 1 A 25 25 ARG C C 25 178.700 177.620 1.080 1
1 233 . 11 1 1 A 25 25 ARG CA C 25 58.670 60.112 -1.442 1
1 234 . 11 1 1 A 25 25 ARG CB C 25 29.210 30.267 -1.057 1
1 237 . 11 1 1 A 25 25 ARG N N 25 123.788 122.886 0.902 1
1 238 . 11 1 1 A 26 26 SER HA H 26 4.136 4.059 0.077 1
1 241 . 11 1 1 A 26 26 SER C C 26 176.659 176.942 -0.283 1
1 242 . 11 1 1 A 26 26 SER CA C 26 61.194 61.423 -0.229 1
1 243 . 11 1 1 A 26 26 SER CB C 26 62.241 62.983 -0.742 1
1 244 . 11 1 1 A 26 26 SER N N 26 116.000 113.792 2.208 1
1 245 . 11 1 1 A 27 27 ASN H H 27 7.748 7.736 0.012 1
1 246 . 11 1 1 A 27 27 ASN HA H 27 4.390 4.422 -0.032 1
1 251 . 11 1 1 A 27 27 ASN C C 27 177.533 176.970 0.563 1
1 252 . 11 1 1 A 27 27 ASN CA C 27 55.425 55.972 -0.547 1
1 253 . 11 1 1 A 27 27 ASN CB C 27 38.124 39.018 -0.894 1
1 254 . 11 1 1 A 27 27 ASN N N 27 120.092 119.219 0.873 1
1 255 . 11 1 1 A 28 28 LEU H H 28 7.264 7.865 -0.601 1
1 256 . 11 1 1 A 28 28 LEU HA H 28 3.261 1.990 1.271 1
1 266 . 11 1 1 A 28 28 LEU C C 28 177.429 178.283 -0.854 1
1 267 . 11 1 1 A 28 28 LEU CA C 28 58.283 57.188 1.095 1
1 268 . 11 1 1 A 28 28 LEU CB C 28 40.483 41.655 -1.172 1
1 272 . 11 1 1 A 28 28 LEU N N 28 122.398 120.052 2.346 1
1 273 . 11 1 1 A 29 29 THR H H 29 8.649 8.250 0.399 1
1 274 . 11 1 1 A 29 29 THR HA H 29 3.970 3.833 0.137 1
1 279 . 11 1 1 A 29 29 THR C C 29 177.377 176.124 1.253 1
1 280 . 11 1 1 A 29 29 THR CA C 29 66.593 66.419 0.174 1
1 281 . 11 1 1 A 29 29 THR CB C 29 68.457 68.511 -0.054 1
1 283 . 11 1 1 A 29 29 THR N N 29 116.386 113.776 2.610 1
1 284 . 11 1 1 A 30 30 THR H H 30 8.106 7.701 0.405 1
1 285 . 11 1 1 A 30 30 THR HA H 30 3.910 4.013 -0.103 1
1 290 . 11 1 1 A 30 30 THR C C 30 176.144 176.548 -0.404 1
1 291 . 11 1 1 A 30 30 THR CA C 30 66.260 65.997 0.263 1
1 292 . 11 1 1 A 30 30 THR CB C 30 68.792 68.855 -0.063 1
1 294 . 11 1 1 A 30 30 THR N N 30 117.533 115.893 1.640 1
1 295 . 11 1 1 A 31 31 HIS H H 31 7.341 7.613 -0.272 1
1 296 . 11 1 1 A 31 31 HIS HA H 31 4.205 4.237 -0.032 1
1 301 . 11 1 1 A 31 31 HIS C C 31 176.196 177.332 -1.136 1
1 302 . 11 1 1 A 31 31 HIS CA C 31 58.919 58.534 0.385 1
1 303 . 11 1 1 A 31 31 HIS CB C 31 28.268 30.086 -1.818 1
1 306 . 11 1 1 A 31 31 HIS N N 31 120.815 120.223 0.592 1
1 307 . 11 1 1 A 32 32 GLN H H 32 8.186 8.020 0.166 1
1 308 . 11 1 1 A 32 32 GLN HA H 32 3.562 4.003 -0.441 1
1 315 . 11 1 1 A 32 32 GLN C C 32 177.032 178.312 -1.280 1
1 316 . 11 1 1 A 32 32 GLN CA C 32 59.582 58.096 1.486 1
1 317 . 11 1 1 A 32 32 GLN CB C 32 28.457 28.441 0.016 1
1 319 . 11 1 1 A 32 32 GLN N N 32 114.261 118.570 -4.309 1
1 321 . 11 1 1 A 33 33 VAL H H 33 6.965 7.507 -0.542 1
1 322 . 11 1 1 A 33 33 VAL HA H 33 3.868 3.774 0.094 1
1 330 . 11 1 1 A 33 33 VAL C C 33 178.168 178.242 -0.074 1
1 331 . 11 1 1 A 33 33 VAL CA C 33 64.658 65.652 -0.994 1
1 332 . 11 1 1 A 33 33 VAL CB C 33 31.715 31.753 -0.038 1
1 335 . 11 1 1 A 33 33 VAL N N 33 117.665 120.360 -2.695 1
1 336 . 11 1 1 A 34 34 ILE H H 34 7.621 7.327 0.294 1
1 337 . 11 1 1 A 34 34 ILE HA H 34 3.941 3.711 0.230 1
1 347 . 11 1 1 A 34 34 ILE C C 34 177.076 176.704 0.372 1
1 348 . 11 1 1 A 34 34 ILE CA C 34 63.207 63.956 -0.749 1
1 349 . 11 1 1 A 34 34 ILE CB C 34 37.688 37.039 0.649 1
1 353 . 11 1 1 A 34 34 ILE N N 34 117.372 116.729 0.643 1
1 354 . 11 1 1 A 35 35 HIS H H 35 7.253 7.461 -0.208 1
1 355 . 11 1 1 A 35 35 HIS HA H 35 4.908 4.491 0.417 1
1 360 . 11 1 1 A 35 35 HIS C C 35 175.795 175.167 0.628 1
1 361 . 11 1 1 A 35 35 HIS CA C 35 54.926 57.117 -2.191 1
1 362 . 11 1 1 A 35 35 HIS CB C 35 28.529 30.343 -1.814 1
1 365 . 11 1 1 A 35 35 HIS N N 35 117.505 119.463 -1.958 1
1 366 . 11 1 1 A 36 36 THR H H 36 7.827 7.557 0.270 1
1 367 . 11 1 1 A 36 36 THR HA H 36 4.331 4.634 -0.303 1
1 372 . 11 1 1 A 36 36 THR C C 36 175.532 174.060 1.472 1
1 373 . 11 1 1 A 36 36 THR CA C 36 63.020 59.961 3.059 1
1 374 . 11 1 1 A 36 36 THR CB C 36 69.891 71.329 -1.438 1
1 376 . 11 1 1 A 36 36 THR N N 36 112.717 109.198 3.519 1
1 377 . 11 1 1 A 37 37 GLY H H 37 8.358 8.278 0.080 1
1 378 . 11 1 1 A 37 37 GLY HA2 H 37 4.010 4.243 -0.233 1
1 379 . 11 1 1 A 37 37 GLY HA3 H 37 4.010 4.246 -0.236 1
1 380 . 11 1 1 A 37 37 GLY C C 37 174.222 172.203 2.019 1
1 381 . 11 1 1 A 37 37 GLY CA C 37 45.394 46.148 -0.754 1
1 382 . 11 1 1 A 37 37 GLY N N 37 110.814 108.759 2.055 1
1 383 . 11 1 1 A 38 38 GLU H H 38 8.119 8.715 -0.596 1
1 384 . 11 1 1 A 38 38 GLU HA H 38 4.233 4.983 -0.750 1
1 389 . 11 1 1 A 38 38 GLU C C 38 176.521 175.120 1.401 1
1 390 . 11 1 1 A 38 38 GLU CA C 38 56.698 54.938 1.760 1
1 391 . 11 1 1 A 38 38 GLU CB C 38 30.459 32.967 -2.508 1
1 393 . 11 1 1 A 38 38 GLU N N 38 120.653 120.101 0.552 1
1 394 . 11 1 1 A 39 39 LYS H H 39 8.372 8.729 -0.357 1
1 395 . 11 1 1 A 39 39 LYS HA H 39 4.325 3.751 0.574 1
1 404 . 11 1 1 A 39 39 LYS C C 39 176.520 176.447 0.073 1
1 405 . 11 1 1 A 39 39 LYS CA C 39 56.254 57.067 -0.813 1
1 406 . 11 1 1 A 39 39 LYS CB C 39 32.719 29.467 3.252 1
1 410 . 11 1 1 A 39 39 LYS N N 39 122.536 117.454 5.082 1
1 411 . 11 1 1 A 40 40 ARG H H 40 8.435 8.492 -0.057 1
1 412 . 11 1 1 A 40 40 ARG HA H 40 4.407 4.620 -0.213 1
1 419 . 11 1 1 A 40 40 ARG C C 40 176.290 175.139 1.151 1
1 420 . 11 1 1 A 40 40 ARG CA C 40 56.011 54.828 1.183 1
1 421 . 11 1 1 A 40 40 ARG CB C 40 30.978 30.539 0.439 1
1 424 . 11 1 1 A 40 40 ARG N N 40 122.912 118.443 4.469 1
1 425 . 11 1 1 A 41 41 SER H H 41 8.428 8.108 0.320 1
1 426 . 11 1 1 A 41 41 SER HA H 41 4.507 4.116 0.391 1
1 429 . 11 1 1 A 41 41 SER C C 41 174.450 173.892 0.558 1
1 430 . 11 1 1 A 41 41 SER CA C 41 58.208 59.212 -1.004 1
1 431 . 11 1 1 A 41 41 SER CB C 41 64.046 61.721 2.325 1
1 432 . 11 1 1 A 41 41 SER N N 41 117.335 112.117 5.218 1
1 433 . 11 1 1 A 42 42 GLY H H 42 8.265 7.879 0.386 1
1 434 . 11 1 1 A 42 42 GLY HA2 H 42 4.149 3.879 0.270 1
1 435 . 11 1 1 A 42 42 GLY HA3 H 42 4.115 3.881 0.234 1
1 436 . 11 1 1 A 42 42 GLY C C 42 171.715 174.719 -3.004 1
1 437 . 11 1 1 A 42 42 GLY CA C 42 44.661 45.625 -0.964 1
1 438 . 11 1 1 A 42 42 GLY N N 42 110.713 108.954 1.759 1
1 439 . 11 1 1 A 43 43 PRO HA H 43 4.476 4.517 -0.041 1
1 446 . 11 1 1 A 43 43 PRO C C 43 177.405 176.363 1.042 1
1 447 . 11 1 1 A 43 43 PRO CA C 43 63.215 63.669 -0.454 1
1 448 . 11 1 1 A 43 43 PRO CB C 43 32.224 31.956 0.268 1
1 451 . 11 1 1 A 44 44 SER H H 44 8.543 7.853 0.690 1
1 452 . 11 1 1 A 44 44 SER HA H 44 4.507 4.419 0.088 1
1 455 . 11 1 1 A 44 44 SER C C 44 174.588 174.827 -0.239 1
1 456 . 11 1 1 A 44 44 SER CA C 44 58.352 58.854 -0.502 1
1 457 . 11 1 1 A 44 44 SER CB C 44 63.989 63.518 0.471 1
1 458 . 11 1 1 A 44 44 SER N N 44 116.402 116.354 0.048 1
1 459 . 11 1 1 A 45 45 SER H H 45 8.318 8.640 -0.322 1
1 460 . 11 1 1 A 45 45 SER HA H 45 4.508 4.143 0.365 1
1 463 . 11 1 1 A 45 45 SER C C 45 173.887 175.519 -1.632 1
1 464 . 11 1 1 A 45 45 SER CA C 45 58.286 60.437 -2.151 1
1 465 . 11 1 1 A 45 45 SER CB C 45 64.037 62.549 1.488 1
1 466 . 11 1 1 A 45 45 SER N N 45 117.792 121.367 -3.575 1
1 1 . 12 1 1 A 7 7 GLY HA2 H 7 3.998 3.991 0.007 1
1 2 . 12 1 1 A 7 7 GLY HA3 H 7 3.998 3.992 0.006 1
1 3 . 12 1 1 A 7 7 GLY C C 7 174.369 174.924 -0.555 1
1 4 . 12 1 1 A 7 7 GLY CA C 7 45.413 45.446 -0.033 1
1 5 . 12 1 1 A 8 8 THR H H 8 8.058 7.715 0.343 1
1 6 . 12 1 1 A 8 8 THR HA H 8 4.332 4.239 0.093 1
1 11 . 12 1 1 A 8 8 THR C C 8 174.812 174.292 0.520 1
1 12 . 12 1 1 A 8 8 THR CA C 8 61.812 63.050 -1.238 1
1 13 . 12 1 1 A 8 8 THR CB C 8 69.909 69.748 0.161 1
1 15 . 12 1 1 A 8 8 THR N N 8 113.853 115.265 -1.412 1
1 16 . 12 1 1 A 9 9 LYS H H 9 8.368 8.412 -0.044 1
1 17 . 12 1 1 A 9 9 LYS HA H 9 4.234 4.647 -0.413 1
1 26 . 12 1 1 A 9 9 LYS C C 9 176.726 175.707 1.019 1
1 27 . 12 1 1 A 9 9 LYS CA C 9 56.616 55.761 0.855 1
1 28 . 12 1 1 A 9 9 LYS CB C 9 32.666 33.301 -0.635 1
1 32 . 12 1 1 A 9 9 LYS N N 9 122.996 123.885 -0.889 1
1 33 . 12 1 1 A 10 10 GLU H H 10 8.247 8.841 -0.594 1
1 34 . 12 1 1 A 10 10 GLU HA H 10 4.120 4.197 -0.077 1
1 39 . 12 1 1 A 10 10 GLU C C 10 176.223 177.118 -0.895 1
1 40 . 12 1 1 A 10 10 GLU CA C 10 57.320 56.436 0.884 1
1 41 . 12 1 1 A 10 10 GLU CB C 10 30.234 30.512 -0.278 1
1 43 . 12 1 1 A 10 10 GLU N N 10 120.550 123.627 -3.077 1
1 44 . 12 1 1 A 11 11 LYS H H 11 8.016 8.833 -0.817 1
1 45 . 12 1 1 A 11 11 LYS HA H 11 4.517 3.860 0.657 1
1 54 . 12 1 1 A 11 11 LYS C C 11 173.757 176.672 -2.915 1
1 55 . 12 1 1 A 11 11 LYS CA C 11 53.783 56.781 -2.998 1
1 56 . 12 1 1 A 11 11 LYS CB C 11 33.260 30.007 3.253 1
1 60 . 12 1 1 A 11 11 LYS N N 11 119.846 119.457 0.389 1
1 61 . 12 1 1 A 12 12 PRO HA H 12 4.272 4.579 -0.307 1
1 68 . 12 1 1 A 12 12 PRO C C 12 176.667 176.207 0.460 1
1 69 . 12 1 1 A 12 12 PRO CA C 12 63.412 65.250 -1.838 1
1 70 . 12 1 1 A 12 12 PRO CB C 12 32.362 31.865 0.497 1
1 73 . 12 1 1 A 13 13 TYR H H 13 7.801 7.793 0.008 1
1 74 . 12 1 1 A 13 13 TYR HA H 13 4.578 4.646 -0.068 1
1 81 . 12 1 1 A 13 13 TYR C C 13 174.321 174.826 -0.505 1
1 82 . 12 1 1 A 13 13 TYR CA C 13 57.814 57.916 -0.102 1
1 83 . 12 1 1 A 13 13 TYR CB C 13 38.437 37.955 0.482 1
1 88 . 12 1 1 A 13 13 TYR N N 13 118.297 118.008 0.289 1
1 89 . 12 1 1 A 14 14 LYS H H 14 8.450 8.778 -0.328 1
1 90 . 12 1 1 A 14 14 LYS HA H 14 4.734 5.250 -0.516 1
1 99 . 12 1 1 A 14 14 LYS C C 14 174.596 176.116 -1.520 1
1 100 . 12 1 1 A 14 14 LYS CA C 14 55.254 54.672 0.582 1
1 101 . 12 1 1 A 14 14 LYS CB C 14 35.279 34.939 0.340 1
1 105 . 12 1 1 A 14 14 LYS N N 14 125.533 126.039 -0.506 1
1 106 . 12 1 1 A 15 15 CYS H H 15 9.186 9.292 -0.106 1
1 107 . 12 1 1 A 15 15 CYS HA H 15 4.563 4.399 0.164 1
1 110 . 12 1 1 A 15 15 CYS C C 15 176.896 175.564 1.332 1
1 111 . 12 1 1 A 15 15 CYS CA C 15 58.735 59.378 -0.643 1
1 112 . 12 1 1 A 15 15 CYS CB C 15 29.404 28.406 0.998 1
1 113 . 12 1 1 A 15 15 CYS N N 15 126.149 125.181 0.968 1
1 114 . 12 1 1 A 16 16 TYR H H 16 9.138 8.353 0.785 1
1 115 . 12 1 1 A 16 16 TYR HA H 16 4.325 4.610 -0.285 1
1 122 . 12 1 1 A 16 16 TYR C C 16 176.155 176.583 -0.428 1
1 123 . 12 1 1 A 16 16 TYR CA C 16 60.508 59.346 1.162 1
1 124 . 12 1 1 A 16 16 TYR CB C 16 37.564 37.662 -0.098 1
1 129 . 12 1 1 A 16 16 TYR N N 16 130.571 126.678 3.893 1
1 130 . 12 1 1 A 17 17 GLU H H 17 8.405 7.999 0.406 1
1 131 . 12 1 1 A 17 17 GLU HA H 17 4.138 4.316 -0.178 1
1 136 . 12 1 1 A 17 17 GLU C C 17 177.140 177.873 -0.733 1
1 137 . 12 1 1 A 17 17 GLU CA C 17 58.636 57.269 1.367 1
1 138 . 12 1 1 A 17 17 GLU CB C 17 29.210 30.510 -1.300 1
1 140 . 12 1 1 A 17 17 GLU N N 17 120.856 119.439 1.417 1
1 141 . 12 1 1 A 18 18 CYS H H 18 7.766 8.003 -0.237 1
1 142 . 12 1 1 A 18 18 CYS HA H 18 5.158 4.713 0.445 1
1 145 . 12 1 1 A 18 18 CYS C C 18 176.122 175.650 0.472 1
1 146 . 12 1 1 A 18 18 CYS CA C 18 58.203 59.271 -1.068 1
1 147 . 12 1 1 A 18 18 CYS CB C 18 32.419 30.450 1.969 1
1 148 . 12 1 1 A 18 18 CYS N N 18 113.779 114.702 -0.923 1
1 149 . 12 1 1 A 19 19 GLY H H 19 8.233 7.829 0.404 1
1 150 . 12 1 1 A 19 19 GLY HA2 H 19 3.693 4.087 -0.394 1
1 151 . 12 1 1 A 19 19 GLY HA3 H 19 4.262 4.101 0.161 1
1 152 . 12 1 1 A 19 19 GLY C C 19 173.845 174.720 -0.875 1
1 153 . 12 1 1 A 19 19 GLY CA C 19 46.274 45.053 1.221 1
1 154 . 12 1 1 A 19 19 GLY N N 19 113.979 110.092 3.887 1
1 155 . 12 1 1 A 20 20 LYS H H 20 7.886 7.400 0.486 1
1 156 . 12 1 1 A 20 20 LYS HA H 20 3.959 4.283 -0.324 1
1 165 . 12 1 1 A 20 20 LYS C C 20 173.244 174.994 -1.750 1
1 166 . 12 1 1 A 20 20 LYS CA C 20 58.013 55.989 2.024 1
1 167 . 12 1 1 A 20 20 LYS CB C 20 33.996 34.211 -0.215 1
1 171 . 12 1 1 A 20 20 LYS N N 20 122.721 120.153 2.568 1
1 172 . 12 1 1 A 21 21 ALA H H 21 7.714 7.675 0.039 1
1 173 . 12 1 1 A 21 21 ALA HA H 21 5.064 5.424 -0.360 1
1 177 . 12 1 1 A 21 21 ALA C C 21 175.915 175.044 0.871 1
1 178 . 12 1 1 A 21 21 ALA CA C 21 50.272 50.184 0.088 1
1 179 . 12 1 1 A 21 21 ALA CB C 21 22.367 23.872 -1.505 1
1 180 . 12 1 1 A 21 21 ALA N N 21 122.778 120.442 2.336 1
1 181 . 12 1 1 A 22 22 PHE H H 22 8.686 8.843 -0.157 1
1 182 . 12 1 1 A 22 22 PHE HA H 22 4.724 4.869 -0.145 1
1 190 . 12 1 1 A 22 22 PHE C C 22 175.341 175.501 -0.160 1
1 191 . 12 1 1 A 22 22 PHE CA C 22 57.367 56.758 0.609 1
1 192 . 12 1 1 A 22 22 PHE CB C 22 43.930 43.644 0.286 1
1 198 . 12 1 1 A 22 22 PHE N N 22 116.150 116.345 -0.195 1
1 199 . 12 1 1 A 23 23 ARG H H 23 9.607 9.036 0.571 1
1 200 . 12 1 1 A 23 23 ARG HA H 23 4.514 4.277 0.237 1
1 207 . 12 1 1 A 23 23 ARG C C 23 176.305 176.065 0.240 1
1 208 . 12 1 1 A 23 23 ARG CA C 23 58.710 58.044 0.666 1
1 209 . 12 1 1 A 23 23 ARG CB C 23 32.010 31.062 0.948 1
1 212 . 12 1 1 A 23 23 ARG N N 23 120.730 121.210 -0.480 1
1 213 . 12 1 1 A 24 24 THR H H 24 7.231 7.685 -0.454 1
1 214 . 12 1 1 A 24 24 THR HA H 24 4.787 4.292 0.495 1
1 219 . 12 1 1 A 24 24 THR C C 24 173.868 175.324 -1.456 1
1 220 . 12 1 1 A 24 24 THR CA C 24 58.268 59.098 -0.830 1
1 221 . 12 1 1 A 24 24 THR CB C 24 72.469 71.292 1.177 1
1 223 . 12 1 1 A 24 24 THR N N 24 103.056 111.874 -8.818 1
1 224 . 12 1 1 A 25 25 ARG H H 25 8.333 8.828 -0.495 1
1 225 . 12 1 1 A 25 25 ARG HA H 25 4.787 4.141 0.646 1
1 232 . 12 1 1 A 25 25 ARG C C 25 178.700 178.060 0.640 1
1 233 . 12 1 1 A 25 25 ARG CA C 25 58.670 60.124 -1.454 1
1 234 . 12 1 1 A 25 25 ARG CB C 25 29.210 30.401 -1.191 1
1 237 . 12 1 1 A 25 25 ARG N N 25 123.788 123.026 0.762 1
1 238 . 12 1 1 A 26 26 SER HA H 26 4.136 4.071 0.065 1
1 241 . 12 1 1 A 26 26 SER C C 26 176.659 177.101 -0.442 1
1 242 . 12 1 1 A 26 26 SER CA C 26 61.194 61.636 -0.442 1
1 243 . 12 1 1 A 26 26 SER CB C 26 62.241 62.934 -0.693 1
1 244 . 12 1 1 A 26 26 SER N N 26 116.000 113.782 2.218 1
1 245 . 12 1 1 A 27 27 ASN H H 27 7.748 7.815 -0.067 1
1 246 . 12 1 1 A 27 27 ASN HA H 27 4.390 4.452 -0.062 1
1 251 . 12 1 1 A 27 27 ASN C C 27 177.533 177.060 0.473 1
1 252 . 12 1 1 A 27 27 ASN CA C 27 55.425 56.199 -0.774 1
1 253 . 12 1 1 A 27 27 ASN CB C 27 38.124 39.712 -1.588 1
1 254 . 12 1 1 A 27 27 ASN N N 27 120.092 119.113 0.979 1
1 255 . 12 1 1 A 28 28 LEU H H 28 7.264 7.959 -0.695 1
1 256 . 12 1 1 A 28 28 LEU HA H 28 3.261 2.000 1.261 1
1 266 . 12 1 1 A 28 28 LEU C C 28 177.429 178.344 -0.915 1
1 267 . 12 1 1 A 28 28 LEU CA C 28 58.283 57.215 1.068 1
1 268 . 12 1 1 A 28 28 LEU CB C 28 40.483 41.726 -1.243 1
1 272 . 12 1 1 A 28 28 LEU N N 28 122.398 119.921 2.477 1
1 273 . 12 1 1 A 29 29 THR H H 29 8.649 8.258 0.391 1
1 274 . 12 1 1 A 29 29 THR HA H 29 3.970 3.824 0.146 1
1 279 . 12 1 1 A 29 29 THR C C 29 177.377 176.103 1.274 1
1 280 . 12 1 1 A 29 29 THR CA C 29 66.593 66.486 0.107 1
1 281 . 12 1 1 A 29 29 THR CB C 29 68.457 68.594 -0.137 1
1 283 . 12 1 1 A 29 29 THR N N 29 116.386 113.875 2.511 1
1 284 . 12 1 1 A 30 30 THR H H 30 8.106 7.908 0.198 1
1 285 . 12 1 1 A 30 30 THR HA H 30 3.910 4.015 -0.105 1
1 290 . 12 1 1 A 30 30 THR C C 30 176.144 176.578 -0.434 1
1 291 . 12 1 1 A 30 30 THR CA C 30 66.260 66.066 0.194 1
1 292 . 12 1 1 A 30 30 THR CB C 30 68.792 68.770 0.022 1
1 294 . 12 1 1 A 30 30 THR N N 30 117.533 116.194 1.339 1
1 295 . 12 1 1 A 31 31 HIS H H 31 7.341 7.645 -0.304 1
1 296 . 12 1 1 A 31 31 HIS HA H 31 4.205 4.267 -0.062 1
1 301 . 12 1 1 A 31 31 HIS C C 31 176.196 177.262 -1.066 1
1 302 . 12 1 1 A 31 31 HIS CA C 31 58.919 58.732 0.187 1
1 303 . 12 1 1 A 31 31 HIS CB C 31 28.268 29.996 -1.728 1
1 306 . 12 1 1 A 31 31 HIS N N 31 120.815 120.738 0.077 1
1 307 . 12 1 1 A 32 32 GLN H H 32 8.186 8.020 0.166 1
1 308 . 12 1 1 A 32 32 GLN HA H 32 3.562 3.950 -0.388 1
1 315 . 12 1 1 A 32 32 GLN C C 32 177.032 178.337 -1.305 1
1 316 . 12 1 1 A 32 32 GLN CA C 32 59.582 58.332 1.250 1
1 317 . 12 1 1 A 32 32 GLN CB C 32 28.457 28.647 -0.190 1
1 319 . 12 1 1 A 32 32 GLN N N 32 114.261 118.644 -4.383 1
1 321 . 12 1 1 A 33 33 VAL H H 33 6.965 7.524 -0.559 1
1 322 . 12 1 1 A 33 33 VAL HA H 33 3.868 3.634 0.234 1
1 330 . 12 1 1 A 33 33 VAL C C 33 178.168 178.061 0.107 1
1 331 . 12 1 1 A 33 33 VAL CA C 33 64.658 65.692 -1.034 1
1 332 . 12 1 1 A 33 33 VAL CB C 33 31.715 31.710 0.005 1
1 335 . 12 1 1 A 33 33 VAL N N 33 117.665 120.087 -2.422 1
1 336 . 12 1 1 A 34 34 ILE H H 34 7.621 7.216 0.405 1
1 337 . 12 1 1 A 34 34 ILE HA H 34 3.941 3.722 0.219 1
1 347 . 12 1 1 A 34 34 ILE C C 34 177.076 176.627 0.449 1
1 348 . 12 1 1 A 34 34 ILE CA C 34 63.207 63.646 -0.439 1
1 349 . 12 1 1 A 34 34 ILE CB C 34 37.688 37.042 0.646 1
1 353 . 12 1 1 A 34 34 ILE N N 34 117.372 116.629 0.743 1
1 354 . 12 1 1 A 35 35 HIS H H 35 7.253 7.847 -0.594 1
1 355 . 12 1 1 A 35 35 HIS HA H 35 4.908 4.477 0.431 1
1 360 . 12 1 1 A 35 35 HIS C C 35 175.795 175.803 -0.008 1
1 361 . 12 1 1 A 35 35 HIS CA C 35 54.926 57.482 -2.556 1
1 362 . 12 1 1 A 35 35 HIS CB C 35 28.529 30.272 -1.743 1
1 365 . 12 1 1 A 35 35 HIS N N 35 117.505 119.406 -1.901 1
1 366 . 12 1 1 A 36 36 THR H H 36 7.827 7.697 0.130 1
1 367 . 12 1 1 A 36 36 THR HA H 36 4.331 4.393 -0.062 1
1 372 . 12 1 1 A 36 36 THR C C 36 175.532 173.941 1.591 1
1 373 . 12 1 1 A 36 36 THR CA C 36 63.020 61.163 1.857 1
1 374 . 12 1 1 A 36 36 THR CB C 36 69.891 68.912 0.979 1
1 376 . 12 1 1 A 36 36 THR N N 36 112.717 107.640 5.077 1
1 377 . 12 1 1 A 37 37 GLY H H 37 8.358 7.401 0.957 1
1 378 . 12 1 1 A 37 37 GLY HA2 H 37 4.010 4.081 -0.071 1
1 379 . 12 1 1 A 37 37 GLY HA3 H 37 4.010 4.091 -0.081 1
1 380 . 12 1 1 A 37 37 GLY C C 37 174.222 171.239 2.983 1
1 381 . 12 1 1 A 37 37 GLY CA C 37 45.394 45.310 0.084 1
1 382 . 12 1 1 A 37 37 GLY N N 37 110.814 109.692 1.122 1
1 383 . 12 1 1 A 38 38 GLU H H 38 8.119 8.621 -0.502 1
1 384 . 12 1 1 A 38 38 GLU HA H 38 4.233 4.931 -0.698 1
1 389 . 12 1 1 A 38 38 GLU C C 38 176.521 175.508 1.013 1
1 390 . 12 1 1 A 38 38 GLU CA C 38 56.698 54.873 1.825 1
1 391 . 12 1 1 A 38 38 GLU CB C 38 30.459 33.447 -2.988 1
1 393 . 12 1 1 A 38 38 GLU N N 38 120.653 120.541 0.112 1
1 394 . 12 1 1 A 39 39 LYS H H 39 8.372 8.689 -0.317 1
1 395 . 12 1 1 A 39 39 LYS HA H 39 4.325 4.245 0.080 1
1 404 . 12 1 1 A 39 39 LYS C C 39 176.520 175.816 0.704 1
1 405 . 12 1 1 A 39 39 LYS CA C 39 56.254 57.145 -0.891 1
1 406 . 12 1 1 A 39 39 LYS CB C 39 32.719 32.998 -0.279 1
1 410 . 12 1 1 A 39 39 LYS N N 39 122.536 128.454 -5.918 1
1 411 . 12 1 1 A 40 40 ARG H H 40 8.435 8.734 -0.299 1
1 412 . 12 1 1 A 40 40 ARG HA H 40 4.407 4.920 -0.513 1
1 419 . 12 1 1 A 40 40 ARG C C 40 176.290 175.991 0.299 1
1 420 . 12 1 1 A 40 40 ARG CA C 40 56.011 54.662 1.349 1
1 421 . 12 1 1 A 40 40 ARG CB C 40 30.978 32.119 -1.141 1
1 424 . 12 1 1 A 40 40 ARG N N 40 122.912 128.304 -5.392 1
1 425 . 12 1 1 A 41 41 SER H H 41 8.428 8.609 -0.181 1
1 426 . 12 1 1 A 41 41 SER HA H 41 4.507 4.786 -0.279 1
1 429 . 12 1 1 A 41 41 SER C C 41 174.450 174.918 -0.468 1
1 430 . 12 1 1 A 41 41 SER CA C 41 58.208 57.871 0.337 1
1 431 . 12 1 1 A 41 41 SER CB C 41 64.046 63.731 0.315 1
1 432 . 12 1 1 A 41 41 SER N N 41 117.335 118.505 -1.170 1
1 433 . 12 1 1 A 42 42 GLY H H 42 8.265 8.567 -0.302 1
1 434 . 12 1 1 A 42 42 GLY HA2 H 42 4.149 4.216 -0.067 1
1 435 . 12 1 1 A 42 42 GLY HA3 H 42 4.115 4.217 -0.102 1
1 436 . 12 1 1 A 42 42 GLY C C 42 171.715 171.921 -0.206 1
1 437 . 12 1 1 A 42 42 GLY CA C 42 44.661 45.264 -0.603 1
1 438 . 12 1 1 A 42 42 GLY N N 42 110.713 111.422 -0.709 1
1 439 . 12 1 1 A 43 43 PRO HA H 43 4.476 4.543 -0.067 1
1 446 . 12 1 1 A 43 43 PRO C C 43 177.405 176.506 0.899 1
1 447 . 12 1 1 A 43 43 PRO CA C 43 63.215 62.406 0.809 1
1 448 . 12 1 1 A 43 43 PRO CB C 43 32.224 32.808 -0.584 1
1 451 . 12 1 1 A 44 44 SER H H 44 8.543 8.483 0.060 1
1 452 . 12 1 1 A 44 44 SER HA H 44 4.507 4.562 -0.055 1
1 455 . 12 1 1 A 44 44 SER C C 44 174.588 173.533 1.055 1
1 456 . 12 1 1 A 44 44 SER CA C 44 58.352 58.413 -0.061 1
1 457 . 12 1 1 A 44 44 SER CB C 44 63.989 63.860 0.129 1
1 458 . 12 1 1 A 44 44 SER N N 44 116.402 118.225 -1.823 1
1 459 . 12 1 1 A 45 45 SER H H 45 8.318 8.865 -0.547 1
1 460 . 12 1 1 A 45 45 SER HA H 45 4.508 4.561 -0.053 1
1 463 . 12 1 1 A 45 45 SER C C 45 173.887 175.693 -1.806 1
1 464 . 12 1 1 A 45 45 SER CA C 45 58.286 59.380 -1.094 1
1 465 . 12 1 1 A 45 45 SER CB C 45 64.037 65.041 -1.004 1
1 466 . 12 1 1 A 45 45 SER N N 45 117.792 119.408 -1.616 1
1 1 . 13 1 1 A 7 7 GLY HA2 H 7 3.998 4.046 -0.048 1
1 2 . 13 1 1 A 7 7 GLY HA3 H 7 3.998 4.047 -0.049 1
1 3 . 13 1 1 A 7 7 GLY C C 7 174.369 173.194 1.175 1
1 4 . 13 1 1 A 7 7 GLY CA C 7 45.413 44.742 0.671 1
1 5 . 13 1 1 A 8 8 THR H H 8 8.058 8.115 -0.057 1
1 6 . 13 1 1 A 8 8 THR HA H 8 4.332 5.172 -0.840 1
1 11 . 13 1 1 A 8 8 THR C C 8 174.812 173.409 1.403 1
1 12 . 13 1 1 A 8 8 THR CA C 8 61.812 59.489 2.323 1
1 13 . 13 1 1 A 8 8 THR CB C 8 69.909 71.746 -1.837 1
1 15 . 13 1 1 A 8 8 THR N N 8 113.853 109.789 4.064 1
1 16 . 13 1 1 A 9 9 LYS H H 9 8.368 8.788 -0.420 1
1 17 . 13 1 1 A 9 9 LYS HA H 9 4.234 4.972 -0.738 1
1 26 . 13 1 1 A 9 9 LYS C C 9 176.726 174.998 1.728 1
1 27 . 13 1 1 A 9 9 LYS CA C 9 56.616 54.280 2.336 1
1 28 . 13 1 1 A 9 9 LYS CB C 9 32.666 35.663 -2.997 1
1 32 . 13 1 1 A 9 9 LYS N N 9 122.996 120.966 2.030 1
1 33 . 13 1 1 A 10 10 GLU H H 10 8.247 8.866 -0.619 1
1 34 . 13 1 1 A 10 10 GLU HA H 10 4.120 4.760 -0.640 1
1 39 . 13 1 1 A 10 10 GLU C C 10 176.223 176.122 0.101 1
1 40 . 13 1 1 A 10 10 GLU CA C 10 57.320 54.158 3.162 1
1 41 . 13 1 1 A 10 10 GLU CB C 10 30.234 32.874 -2.640 1
1 43 . 13 1 1 A 10 10 GLU N N 10 120.550 122.744 -2.194 1
1 44 . 13 1 1 A 11 11 LYS H H 11 8.016 8.799 -0.783 1
1 45 . 13 1 1 A 11 11 LYS HA H 11 4.517 4.250 0.267 1
1 54 . 13 1 1 A 11 11 LYS C C 11 173.757 176.612 -2.855 1
1 55 . 13 1 1 A 11 11 LYS CA C 11 53.783 56.784 -3.001 1
1 56 . 13 1 1 A 11 11 LYS CB C 11 33.260 30.125 3.135 1
1 60 . 13 1 1 A 11 11 LYS N N 11 119.846 120.289 -0.443 1
1 61 . 13 1 1 A 12 12 PRO HA H 12 4.272 4.614 -0.342 1
1 68 . 13 1 1 A 12 12 PRO C C 12 176.667 176.206 0.461 1
1 69 . 13 1 1 A 12 12 PRO CA C 12 63.412 65.345 -1.933 1
1 70 . 13 1 1 A 12 12 PRO CB C 12 32.362 31.921 0.441 1
1 73 . 13 1 1 A 13 13 TYR H H 13 7.801 7.584 0.217 1
1 74 . 13 1 1 A 13 13 TYR HA H 13 4.578 4.611 -0.033 1
1 81 . 13 1 1 A 13 13 TYR C C 13 174.321 174.900 -0.579 1
1 82 . 13 1 1 A 13 13 TYR CA C 13 57.814 58.014 -0.200 1
1 83 . 13 1 1 A 13 13 TYR CB C 13 38.437 38.363 0.074 1
1 88 . 13 1 1 A 13 13 TYR N N 13 118.297 118.013 0.284 1
1 89 . 13 1 1 A 14 14 LYS H H 14 8.450 8.833 -0.383 1
1 90 . 13 1 1 A 14 14 LYS HA H 14 4.734 5.370 -0.636 1
1 99 . 13 1 1 A 14 14 LYS C C 14 174.596 175.764 -1.168 1
1 100 . 13 1 1 A 14 14 LYS CA C 14 55.254 54.470 0.784 1
1 101 . 13 1 1 A 14 14 LYS CB C 14 35.279 35.703 -0.424 1
1 105 . 13 1 1 A 14 14 LYS N N 14 125.533 125.928 -0.395 1
1 106 . 13 1 1 A 15 15 CYS H H 15 9.186 9.111 0.075 1
1 107 . 13 1 1 A 15 15 CYS HA H 15 4.563 4.427 0.136 1
1 110 . 13 1 1 A 15 15 CYS C C 15 176.896 175.506 1.390 1
1 111 . 13 1 1 A 15 15 CYS CA C 15 58.735 58.945 -0.210 1
1 112 . 13 1 1 A 15 15 CYS CB C 15 29.404 28.135 1.269 1
1 113 . 13 1 1 A 15 15 CYS N N 15 126.149 125.185 0.964 1
1 114 . 13 1 1 A 16 16 TYR H H 16 9.138 7.891 1.247 1
1 115 . 13 1 1 A 16 16 TYR HA H 16 4.325 4.327 -0.002 1
1 122 . 13 1 1 A 16 16 TYR C C 16 176.155 177.793 -1.638 1
1 123 . 13 1 1 A 16 16 TYR CA C 16 60.508 60.975 -0.467 1
1 124 . 13 1 1 A 16 16 TYR CB C 16 37.564 37.614 -0.050 1
1 129 . 13 1 1 A 16 16 TYR N N 16 130.571 126.104 4.467 1
1 130 . 13 1 1 A 17 17 GLU H H 17 8.405 8.066 0.339 1
1 131 . 13 1 1 A 17 17 GLU HA H 17 4.138 4.071 0.067 1
1 136 . 13 1 1 A 17 17 GLU C C 17 177.140 177.808 -0.668 1
1 137 . 13 1 1 A 17 17 GLU CA C 17 58.636 58.773 -0.137 1
1 138 . 13 1 1 A 17 17 GLU CB C 17 29.210 29.614 -0.404 1
1 140 . 13 1 1 A 17 17 GLU N N 17 120.856 120.432 0.424 1
1 141 . 13 1 1 A 18 18 CYS H H 18 7.766 8.000 -0.234 1
1 142 . 13 1 1 A 18 18 CYS HA H 18 5.158 4.686 0.472 1
1 145 . 13 1 1 A 18 18 CYS C C 18 176.122 175.539 0.583 1
1 146 . 13 1 1 A 18 18 CYS CA C 18 58.203 59.519 -1.316 1
1 147 . 13 1 1 A 18 18 CYS CB C 18 32.419 30.045 2.374 1
1 148 . 13 1 1 A 18 18 CYS N N 18 113.779 114.833 -1.054 1
1 149 . 13 1 1 A 19 19 GLY H H 19 8.233 8.037 0.196 1
1 150 . 13 1 1 A 19 19 GLY HA2 H 19 3.693 4.106 -0.413 1
1 151 . 13 1 1 A 19 19 GLY HA3 H 19 4.262 4.126 0.136 1
1 152 . 13 1 1 A 19 19 GLY C C 19 173.845 174.398 -0.553 1
1 153 . 13 1 1 A 19 19 GLY CA C 19 46.274 45.010 1.264 1
1 154 . 13 1 1 A 19 19 GLY N N 19 113.979 109.868 4.111 1
1 155 . 13 1 1 A 20 20 LYS H H 20 7.886 7.390 0.496 1
1 156 . 13 1 1 A 20 20 LYS HA H 20 3.959 4.344 -0.385 1
1 165 . 13 1 1 A 20 20 LYS C C 20 173.244 175.063 -1.819 1
1 166 . 13 1 1 A 20 20 LYS CA C 20 58.013 55.993 2.020 1
1 167 . 13 1 1 A 20 20 LYS CB C 20 33.996 34.168 -0.172 1
1 171 . 13 1 1 A 20 20 LYS N N 20 122.721 120.148 2.573 1
1 172 . 13 1 1 A 21 21 ALA H H 21 7.714 7.721 -0.007 1
1 173 . 13 1 1 A 21 21 ALA HA H 21 5.064 5.504 -0.440 1
1 177 . 13 1 1 A 21 21 ALA C C 21 175.915 175.051 0.864 1
1 178 . 13 1 1 A 21 21 ALA CA C 21 50.272 50.219 0.053 1
1 179 . 13 1 1 A 21 21 ALA CB C 21 22.367 23.890 -1.523 1
1 180 . 13 1 1 A 21 21 ALA N N 21 122.778 120.490 2.288 1
1 181 . 13 1 1 A 22 22 PHE H H 22 8.686 8.827 -0.141 1
1 182 . 13 1 1 A 22 22 PHE HA H 22 4.724 4.890 -0.166 1
1 190 . 13 1 1 A 22 22 PHE C C 22 175.341 175.556 -0.215 1
1 191 . 13 1 1 A 22 22 PHE CA C 22 57.367 56.700 0.667 1
1 192 . 13 1 1 A 22 22 PHE CB C 22 43.930 43.673 0.257 1
1 198 . 13 1 1 A 22 22 PHE N N 22 116.150 116.491 -0.341 1
1 199 . 13 1 1 A 23 23 ARG H H 23 9.607 8.936 0.671 1
1 200 . 13 1 1 A 23 23 ARG HA H 23 4.514 4.284 0.230 1
1 207 . 13 1 1 A 23 23 ARG C C 23 176.305 176.299 0.006 1
1 208 . 13 1 1 A 23 23 ARG CA C 23 58.710 57.980 0.730 1
1 209 . 13 1 1 A 23 23 ARG CB C 23 32.010 30.840 1.170 1
1 212 . 13 1 1 A 23 23 ARG N N 23 120.730 121.223 -0.493 1
1 213 . 13 1 1 A 24 24 THR H H 24 7.231 7.680 -0.449 1
1 214 . 13 1 1 A 24 24 THR HA H 24 4.787 4.305 0.482 1
1 219 . 13 1 1 A 24 24 THR C C 24 173.868 175.011 -1.143 1
1 220 . 13 1 1 A 24 24 THR CA C 24 58.268 59.172 -0.904 1
1 221 . 13 1 1 A 24 24 THR CB C 24 72.469 71.774 0.695 1
1 223 . 13 1 1 A 24 24 THR N N 24 103.056 111.737 -8.681 1
1 224 . 13 1 1 A 25 25 ARG H H 25 8.333 8.861 -0.528 1
1 225 . 13 1 1 A 25 25 ARG HA H 25 4.787 4.153 0.634 1
1 232 . 13 1 1 A 25 25 ARG C C 25 178.700 177.855 0.845 1
1 233 . 13 1 1 A 25 25 ARG CA C 25 58.670 60.137 -1.467 1
1 234 . 13 1 1 A 25 25 ARG CB C 25 29.210 30.398 -1.188 1
1 237 . 13 1 1 A 25 25 ARG N N 25 123.788 122.799 0.989 1
1 238 . 13 1 1 A 26 26 SER HA H 26 4.136 4.054 0.082 1
1 241 . 13 1 1 A 26 26 SER C C 26 176.659 176.925 -0.266 1
1 242 . 13 1 1 A 26 26 SER CA C 26 61.194 61.624 -0.430 1
1 243 . 13 1 1 A 26 26 SER CB C 26 62.241 63.056 -0.815 1
1 244 . 13 1 1 A 26 26 SER N N 26 116.000 113.790 2.210 1
1 245 . 13 1 1 A 27 27 ASN H H 27 7.748 7.824 -0.076 1
1 246 . 13 1 1 A 27 27 ASN HA H 27 4.390 4.454 -0.064 1
1 251 . 13 1 1 A 27 27 ASN C C 27 177.533 177.228 0.305 1
1 252 . 13 1 1 A 27 27 ASN CA C 27 55.425 56.275 -0.850 1
1 253 . 13 1 1 A 27 27 ASN CB C 27 38.124 39.564 -1.440 1
1 254 . 13 1 1 A 27 27 ASN N N 27 120.092 119.469 0.623 1
1 255 . 13 1 1 A 28 28 LEU H H 28 7.264 8.051 -0.787 1
1 256 . 13 1 1 A 28 28 LEU HA H 28 3.261 2.022 1.239 1
1 266 . 13 1 1 A 28 28 LEU C C 28 177.429 178.246 -0.817 1
1 267 . 13 1 1 A 28 28 LEU CA C 28 58.283 57.145 1.138 1
1 268 . 13 1 1 A 28 28 LEU CB C 28 40.483 41.602 -1.119 1
1 272 . 13 1 1 A 28 28 LEU N N 28 122.398 120.137 2.261 1
1 273 . 13 1 1 A 29 29 THR H H 29 8.649 8.329 0.320 1
1 274 . 13 1 1 A 29 29 THR HA H 29 3.970 3.822 0.148 1
1 279 . 13 1 1 A 29 29 THR C C 29 177.377 176.287 1.090 1
1 280 . 13 1 1 A 29 29 THR CA C 29 66.593 66.582 0.011 1
1 281 . 13 1 1 A 29 29 THR CB C 29 68.457 68.654 -0.197 1
1 283 . 13 1 1 A 29 29 THR N N 29 116.386 114.091 2.295 1
1 284 . 13 1 1 A 30 30 THR H H 30 8.106 7.930 0.176 1
1 285 . 13 1 1 A 30 30 THR HA H 30 3.910 4.047 -0.137 1
1 290 . 13 1 1 A 30 30 THR C C 30 176.144 176.425 -0.281 1
1 291 . 13 1 1 A 30 30 THR CA C 30 66.260 65.874 0.386 1
1 292 . 13 1 1 A 30 30 THR CB C 30 68.792 68.920 -0.128 1
1 294 . 13 1 1 A 30 30 THR N N 30 117.533 115.959 1.574 1
1 295 . 13 1 1 A 31 31 HIS H H 31 7.341 7.427 -0.086 1
1 296 . 13 1 1 A 31 31 HIS HA H 31 4.205 4.312 -0.107 1
1 301 . 13 1 1 A 31 31 HIS C C 31 176.196 177.092 -0.896 1
1 302 . 13 1 1 A 31 31 HIS CA C 31 58.919 58.676 0.243 1
1 303 . 13 1 1 A 31 31 HIS CB C 31 28.268 30.116 -1.848 1
1 306 . 13 1 1 A 31 31 HIS N N 31 120.815 120.213 0.602 1
1 307 . 13 1 1 A 32 32 GLN H H 32 8.186 8.062 0.124 1
1 308 . 13 1 1 A 32 32 GLN HA H 32 3.562 3.903 -0.341 1
1 315 . 13 1 1 A 32 32 GLN C C 32 177.032 178.550 -1.518 1
1 316 . 13 1 1 A 32 32 GLN CA C 32 59.582 58.366 1.216 1
1 317 . 13 1 1 A 32 32 GLN CB C 32 28.457 28.590 -0.133 1
1 319 . 13 1 1 A 32 32 GLN N N 32 114.261 118.667 -4.406 1
1 321 . 13 1 1 A 33 33 VAL H H 33 6.965 7.555 -0.590 1
1 322 . 13 1 1 A 33 33 VAL HA H 33 3.868 3.895 -0.027 1
1 330 . 13 1 1 A 33 33 VAL C C 33 178.168 178.190 -0.022 1
1 331 . 13 1 1 A 33 33 VAL CA C 33 64.658 66.081 -1.423 1
1 332 . 13 1 1 A 33 33 VAL CB C 33 31.715 31.473 0.242 1
1 335 . 13 1 1 A 33 33 VAL N N 33 117.665 119.844 -2.179 1
1 336 . 13 1 1 A 34 34 ILE H H 34 7.621 7.407 0.214 1
1 337 . 13 1 1 A 34 34 ILE HA H 34 3.941 3.734 0.207 1
1 347 . 13 1 1 A 34 34 ILE C C 34 177.076 176.958 0.118 1
1 348 . 13 1 1 A 34 34 ILE CA C 34 63.207 63.963 -0.756 1
1 349 . 13 1 1 A 34 34 ILE CB C 34 37.688 37.145 0.543 1
1 353 . 13 1 1 A 34 34 ILE N N 34 117.372 117.318 0.054 1
1 354 . 13 1 1 A 35 35 HIS H H 35 7.253 7.853 -0.600 1
1 355 . 13 1 1 A 35 35 HIS HA H 35 4.908 4.471 0.437 1
1 360 . 13 1 1 A 35 35 HIS C C 35 175.795 175.267 0.528 1
1 361 . 13 1 1 A 35 35 HIS CA C 35 54.926 57.967 -3.041 1
1 362 . 13 1 1 A 35 35 HIS CB C 35 28.529 30.845 -2.316 1
1 365 . 13 1 1 A 35 35 HIS N N 35 117.505 119.582 -2.077 1
1 366 . 13 1 1 A 36 36 THR H H 36 7.827 7.841 -0.014 1
1 367 . 13 1 1 A 36 36 THR HA H 36 4.331 4.415 -0.084 1
1 372 . 13 1 1 A 36 36 THR C C 36 175.532 175.152 0.380 1
1 373 . 13 1 1 A 36 36 THR CA C 36 63.020 60.981 2.039 1
1 374 . 13 1 1 A 36 36 THR CB C 36 69.891 70.078 -0.187 1
1 376 . 13 1 1 A 36 36 THR N N 36 112.717 111.778 0.939 1
1 377 . 13 1 1 A 37 37 GLY H H 37 8.358 8.742 -0.384 1
1 378 . 13 1 1 A 37 37 GLY HA2 H 37 4.010 4.138 -0.128 1
1 379 . 13 1 1 A 37 37 GLY HA3 H 37 4.010 4.145 -0.135 1
1 380 . 13 1 1 A 37 37 GLY C C 37 174.222 173.563 0.659 1
1 381 . 13 1 1 A 37 37 GLY CA C 37 45.394 46.033 -0.639 1
1 382 . 13 1 1 A 37 37 GLY N N 37 110.814 111.054 -0.240 1
1 383 . 13 1 1 A 38 38 GLU H H 38 8.119 7.628 0.491 1
1 384 . 13 1 1 A 38 38 GLU HA H 38 4.233 4.594 -0.361 1
1 389 . 13 1 1 A 38 38 GLU C C 38 176.521 176.144 0.377 1
1 390 . 13 1 1 A 38 38 GLU CA C 38 56.698 54.917 1.781 1
1 391 . 13 1 1 A 38 38 GLU CB C 38 30.459 28.536 1.923 1
1 393 . 13 1 1 A 38 38 GLU N N 38 120.653 119.909 0.744 1
1 394 . 13 1 1 A 39 39 LYS H H 39 8.372 8.711 -0.339 1
1 395 . 13 1 1 A 39 39 LYS HA H 39 4.325 4.319 0.006 1
1 404 . 13 1 1 A 39 39 LYS C C 39 176.520 176.504 0.016 1
1 405 . 13 1 1 A 39 39 LYS CA C 39 56.254 58.010 -1.756 1
1 406 . 13 1 1 A 39 39 LYS CB C 39 32.719 33.071 -0.352 1
1 410 . 13 1 1 A 39 39 LYS N N 39 122.536 125.120 -2.584 1
1 411 . 13 1 1 A 40 40 ARG H H 40 8.435 7.753 0.682 1
1 412 . 13 1 1 A 40 40 ARG HA H 40 4.407 4.805 -0.398 1
1 419 . 13 1 1 A 40 40 ARG C C 40 176.290 174.267 2.023 1
1 420 . 13 1 1 A 40 40 ARG CA C 40 56.011 55.006 1.005 1
1 421 . 13 1 1 A 40 40 ARG CB C 40 30.978 33.570 -2.592 1
1 424 . 13 1 1 A 40 40 ARG N N 40 122.912 117.872 5.040 1
1 425 . 13 1 1 A 41 41 SER H H 41 8.428 8.688 -0.260 1
1 426 . 13 1 1 A 41 41 SER HA H 41 4.507 5.419 -0.912 1
1 429 . 13 1 1 A 41 41 SER C C 41 174.450 173.382 1.068 1
1 430 . 13 1 1 A 41 41 SER CA C 41 58.208 56.848 1.360 1
1 431 . 13 1 1 A 41 41 SER CB C 41 64.046 64.582 -0.536 1
1 432 . 13 1 1 A 41 41 SER N N 41 117.335 118.810 -1.475 1
1 433 . 13 1 1 A 42 42 GLY H H 42 8.265 8.368 -0.103 1
1 434 . 13 1 1 A 42 42 GLY HA2 H 42 4.149 4.175 -0.026 1
1 435 . 13 1 1 A 42 42 GLY HA3 H 42 4.115 4.176 -0.061 1
1 436 . 13 1 1 A 42 42 GLY C C 42 171.715 170.989 0.726 1
1 437 . 13 1 1 A 42 42 GLY CA C 42 44.661 45.528 -0.867 1
1 438 . 13 1 1 A 42 42 GLY N N 42 110.713 110.491 0.222 1
1 439 . 13 1 1 A 43 43 PRO HA H 43 4.476 4.719 -0.243 1
1 446 . 13 1 1 A 43 43 PRO C C 43 177.405 175.448 1.957 1
1 447 . 13 1 1 A 43 43 PRO CA C 43 63.215 62.688 0.527 1
1 448 . 13 1 1 A 43 43 PRO CB C 43 32.224 33.188 -0.964 1
1 451 . 13 1 1 A 44 44 SER H H 44 8.543 8.566 -0.023 1
1 452 . 13 1 1 A 44 44 SER HA H 44 4.507 4.795 -0.288 1
1 455 . 13 1 1 A 44 44 SER C C 44 174.588 172.578 2.010 1
1 456 . 13 1 1 A 44 44 SER CA C 44 58.352 56.830 1.522 1
1 457 . 13 1 1 A 44 44 SER CB C 44 63.989 63.613 0.376 1
1 458 . 13 1 1 A 44 44 SER N N 44 116.402 117.536 -1.134 1
1 459 . 13 1 1 A 45 45 SER H H 45 8.318 8.788 -0.470 1
1 460 . 13 1 1 A 45 45 SER HA H 45 4.508 5.091 -0.583 1
1 463 . 13 1 1 A 45 45 SER C C 45 173.887 173.961 -0.074 1
1 464 . 13 1 1 A 45 45 SER CA C 45 58.286 57.341 0.945 1
1 465 . 13 1 1 A 45 45 SER CB C 45 64.037 64.262 -0.225 1
1 466 . 13 1 1 A 45 45 SER N N 45 117.792 123.311 -5.519 1
1 1 . 14 1 1 A 7 7 GLY HA2 H 7 3.998 3.918 0.080 1
1 2 . 14 1 1 A 7 7 GLY HA3 H 7 3.998 3.920 0.078 1
1 3 . 14 1 1 A 7 7 GLY C C 7 174.369 174.364 0.005 1
1 4 . 14 1 1 A 7 7 GLY CA C 7 45.413 47.120 -1.707 1
1 5 . 14 1 1 A 8 8 THR H H 8 8.058 7.630 0.428 1
1 6 . 14 1 1 A 8 8 THR HA H 8 4.332 4.606 -0.274 1
1 11 . 14 1 1 A 8 8 THR C C 8 174.812 172.074 2.738 1
1 12 . 14 1 1 A 8 8 THR CA C 8 61.812 61.017 0.795 1
1 13 . 14 1 1 A 8 8 THR CB C 8 69.909 70.771 -0.862 1
1 15 . 14 1 1 A 8 8 THR N N 8 113.853 114.212 -0.359 1
1 16 . 14 1 1 A 9 9 LYS H H 9 8.368 9.191 -0.823 1
1 17 . 14 1 1 A 9 9 LYS HA H 9 4.234 4.991 -0.757 1
1 26 . 14 1 1 A 9 9 LYS C C 9 176.726 175.056 1.670 1
1 27 . 14 1 1 A 9 9 LYS CA C 9 56.616 54.815 1.801 1
1 28 . 14 1 1 A 9 9 LYS CB C 9 32.666 34.278 -1.612 1
1 32 . 14 1 1 A 9 9 LYS N N 9 122.996 128.732 -5.736 1
1 33 . 14 1 1 A 10 10 GLU H H 10 8.247 8.620 -0.373 1
1 34 . 14 1 1 A 10 10 GLU HA H 10 4.120 4.903 -0.783 1
1 39 . 14 1 1 A 10 10 GLU C C 10 176.223 175.142 1.081 1
1 40 . 14 1 1 A 10 10 GLU CA C 10 57.320 54.617 2.703 1
1 41 . 14 1 1 A 10 10 GLU CB C 10 30.234 33.015 -2.781 1
1 43 . 14 1 1 A 10 10 GLU N N 10 120.550 125.723 -5.173 1
1 44 . 14 1 1 A 11 11 LYS H H 11 8.016 8.846 -0.830 1
1 45 . 14 1 1 A 11 11 LYS HA H 11 4.517 3.834 0.683 1
1 54 . 14 1 1 A 11 11 LYS C C 11 173.757 176.795 -3.038 1
1 55 . 14 1 1 A 11 11 LYS CA C 11 53.783 56.897 -3.114 1
1 56 . 14 1 1 A 11 11 LYS CB C 11 33.260 30.404 2.856 1
1 60 . 14 1 1 A 11 11 LYS N N 11 119.846 118.579 1.267 1
1 61 . 14 1 1 A 12 12 PRO HA H 12 4.272 4.536 -0.264 1
1 68 . 14 1 1 A 12 12 PRO C C 12 176.667 176.284 0.383 1
1 69 . 14 1 1 A 12 12 PRO CA C 12 63.412 65.449 -2.037 1
1 70 . 14 1 1 A 12 12 PRO CB C 12 32.362 31.830 0.532 1
1 73 . 14 1 1 A 13 13 TYR H H 13 7.801 7.638 0.163 1
1 74 . 14 1 1 A 13 13 TYR HA H 13 4.578 4.629 -0.051 1
1 81 . 14 1 1 A 13 13 TYR C C 13 174.321 175.008 -0.687 1
1 82 . 14 1 1 A 13 13 TYR CA C 13 57.814 58.811 -0.997 1
1 83 . 14 1 1 A 13 13 TYR CB C 13 38.437 38.482 -0.045 1
1 88 . 14 1 1 A 13 13 TYR N N 13 118.297 118.140 0.157 1
1 89 . 14 1 1 A 14 14 LYS H H 14 8.450 8.830 -0.380 1
1 90 . 14 1 1 A 14 14 LYS HA H 14 4.734 5.348 -0.614 1
1 99 . 14 1 1 A 14 14 LYS C C 14 174.596 175.699 -1.103 1
1 100 . 14 1 1 A 14 14 LYS CA C 14 55.254 54.479 0.775 1
1 101 . 14 1 1 A 14 14 LYS CB C 14 35.279 35.705 -0.426 1
1 105 . 14 1 1 A 14 14 LYS N N 14 125.533 125.648 -0.115 1
1 106 . 14 1 1 A 15 15 CYS H H 15 9.186 9.336 -0.150 1
1 107 . 14 1 1 A 15 15 CYS HA H 15 4.563 4.429 0.134 1
1 110 . 14 1 1 A 15 15 CYS C C 15 176.896 175.519 1.377 1
1 111 . 14 1 1 A 15 15 CYS CA C 15 58.735 58.844 -0.109 1
1 112 . 14 1 1 A 15 15 CYS CB C 15 29.404 28.072 1.332 1
1 113 . 14 1 1 A 15 15 CYS N N 15 126.149 125.157 0.992 1
1 114 . 14 1 1 A 16 16 TYR H H 16 9.138 7.900 1.238 1
1 115 . 14 1 1 A 16 16 TYR HA H 16 4.325 4.326 -0.001 1
1 122 . 14 1 1 A 16 16 TYR C C 16 176.155 177.901 -1.746 1
1 123 . 14 1 1 A 16 16 TYR CA C 16 60.508 60.892 -0.384 1
1 124 . 14 1 1 A 16 16 TYR CB C 16 37.564 37.620 -0.056 1
1 129 . 14 1 1 A 16 16 TYR N N 16 130.571 126.115 4.456 1
1 130 . 14 1 1 A 17 17 GLU H H 17 8.405 8.208 0.197 1
1 131 . 14 1 1 A 17 17 GLU HA H 17 4.138 4.083 0.055 1
1 136 . 14 1 1 A 17 17 GLU C C 17 177.140 177.864 -0.724 1
1 137 . 14 1 1 A 17 17 GLU CA C 17 58.636 58.767 -0.131 1
1 138 . 14 1 1 A 17 17 GLU CB C 17 29.210 29.532 -0.322 1
1 140 . 14 1 1 A 17 17 GLU N N 17 120.856 120.432 0.424 1
1 141 . 14 1 1 A 18 18 CYS H H 18 7.766 7.919 -0.153 1
1 142 . 14 1 1 A 18 18 CYS HA H 18 5.158 4.701 0.457 1
1 145 . 14 1 1 A 18 18 CYS C C 18 176.122 175.582 0.540 1
1 146 . 14 1 1 A 18 18 CYS CA C 18 58.203 59.447 -1.244 1
1 147 . 14 1 1 A 18 18 CYS CB C 18 32.419 30.062 2.357 1
1 148 . 14 1 1 A 18 18 CYS N N 18 113.779 114.918 -1.139 1
1 149 . 14 1 1 A 19 19 GLY H H 19 8.233 8.022 0.211 1
1 150 . 14 1 1 A 19 19 GLY HA2 H 19 3.693 4.107 -0.414 1
1 151 . 14 1 1 A 19 19 GLY HA3 H 19 4.262 4.126 0.136 1
1 152 . 14 1 1 A 19 19 GLY C C 19 173.845 174.505 -0.660 1
1 153 . 14 1 1 A 19 19 GLY CA C 19 46.274 44.900 1.374 1
1 154 . 14 1 1 A 19 19 GLY N N 19 113.979 109.848 4.131 1
1 155 . 14 1 1 A 20 20 LYS H H 20 7.886 7.403 0.483 1
1 156 . 14 1 1 A 20 20 LYS HA H 20 3.959 4.259 -0.300 1
1 165 . 14 1 1 A 20 20 LYS C C 20 173.244 175.101 -1.857 1
1 166 . 14 1 1 A 20 20 LYS CA C 20 58.013 56.030 1.983 1
1 167 . 14 1 1 A 20 20 LYS CB C 20 33.996 34.115 -0.119 1
1 171 . 14 1 1 A 20 20 LYS N N 20 122.721 120.147 2.574 1
1 172 . 14 1 1 A 21 21 ALA H H 21 7.714 7.703 0.011 1
1 173 . 14 1 1 A 21 21 ALA HA H 21 5.064 5.526 -0.462 1
1 177 . 14 1 1 A 21 21 ALA C C 21 175.915 174.844 1.071 1
1 178 . 14 1 1 A 21 21 ALA CA C 21 50.272 50.196 0.076 1
1 179 . 14 1 1 A 21 21 ALA CB C 21 22.367 23.886 -1.519 1
1 180 . 14 1 1 A 21 21 ALA N N 21 122.778 120.283 2.495 1
1 181 . 14 1 1 A 22 22 PHE H H 22 8.686 8.853 -0.167 1
1 182 . 14 1 1 A 22 22 PHE HA H 22 4.724 4.844 -0.120 1
1 190 . 14 1 1 A 22 22 PHE C C 22 175.341 175.566 -0.225 1
1 191 . 14 1 1 A 22 22 PHE CA C 22 57.367 56.530 0.837 1
1 192 . 14 1 1 A 22 22 PHE CB C 22 43.930 43.063 0.867 1
1 198 . 14 1 1 A 22 22 PHE N N 22 116.150 116.312 -0.162 1
1 199 . 14 1 1 A 23 23 ARG H H 23 9.607 8.827 0.780 1
1 200 . 14 1 1 A 23 23 ARG HA H 23 4.514 4.206 0.308 1
1 207 . 14 1 1 A 23 23 ARG C C 23 176.305 176.315 -0.010 1
1 208 . 14 1 1 A 23 23 ARG CA C 23 58.710 59.002 -0.292 1
1 209 . 14 1 1 A 23 23 ARG CB C 23 32.010 30.685 1.325 1
1 212 . 14 1 1 A 23 23 ARG N N 23 120.730 122.014 -1.284 1
1 213 . 14 1 1 A 24 24 THR H H 24 7.231 7.697 -0.466 1
1 214 . 14 1 1 A 24 24 THR HA H 24 4.787 4.353 0.434 1
1 219 . 14 1 1 A 24 24 THR C C 24 173.868 175.292 -1.424 1
1 220 . 14 1 1 A 24 24 THR CA C 24 58.268 59.633 -1.365 1
1 221 . 14 1 1 A 24 24 THR CB C 24 72.469 71.397 1.072 1
1 223 . 14 1 1 A 24 24 THR N N 24 103.056 111.675 -8.619 1
1 224 . 14 1 1 A 25 25 ARG H H 25 8.333 8.869 -0.536 1
1 225 . 14 1 1 A 25 25 ARG HA H 25 4.787 4.097 0.690 1
1 232 . 14 1 1 A 25 25 ARG C C 25 178.700 177.746 0.954 1
1 233 . 14 1 1 A 25 25 ARG CA C 25 58.670 59.625 -0.955 1
1 234 . 14 1 1 A 25 25 ARG CB C 25 29.210 30.319 -1.109 1
1 237 . 14 1 1 A 25 25 ARG N N 25 123.788 123.045 0.743 1
1 238 . 14 1 1 A 26 26 SER HA H 26 4.136 4.056 0.080 1
1 241 . 14 1 1 A 26 26 SER C C 26 176.659 176.887 -0.228 1
1 242 . 14 1 1 A 26 26 SER CA C 26 61.194 61.406 -0.212 1
1 243 . 14 1 1 A 26 26 SER CB C 26 62.241 62.990 -0.749 1
1 244 . 14 1 1 A 26 26 SER N N 26 116.000 114.011 1.989 1
1 245 . 14 1 1 A 27 27 ASN H H 27 7.748 7.687 0.061 1
1 246 . 14 1 1 A 27 27 ASN HA H 27 4.390 4.516 -0.126 1
1 251 . 14 1 1 A 27 27 ASN C C 27 177.533 177.695 -0.162 1
1 252 . 14 1 1 A 27 27 ASN CA C 27 55.425 56.259 -0.834 1
1 253 . 14 1 1 A 27 27 ASN CB C 27 38.124 37.958 0.166 1
1 254 . 14 1 1 A 27 27 ASN N N 27 120.092 120.180 -0.088 1
1 255 . 14 1 1 A 28 28 LEU H H 28 7.264 7.983 -0.719 1
1 256 . 14 1 1 A 28 28 LEU HA H 28 3.261 1.872 1.389 1
1 266 . 14 1 1 A 28 28 LEU C C 28 177.429 178.244 -0.815 1
1 267 . 14 1 1 A 28 28 LEU CA C 28 58.283 57.077 1.206 1
1 268 . 14 1 1 A 28 28 LEU CB C 28 40.483 41.657 -1.174 1
1 272 . 14 1 1 A 28 28 LEU N N 28 122.398 120.693 1.705 1
1 273 . 14 1 1 A 29 29 THR H H 29 8.649 7.962 0.687 1
1 274 . 14 1 1 A 29 29 THR HA H 29 3.970 3.844 0.126 1
1 279 . 14 1 1 A 29 29 THR C C 29 177.377 176.269 1.108 1
1 280 . 14 1 1 A 29 29 THR CA C 29 66.593 66.469 0.124 1
1 281 . 14 1 1 A 29 29 THR CB C 29 68.457 68.549 -0.092 1
1 283 . 14 1 1 A 29 29 THR N N 29 116.386 113.817 2.569 1
1 284 . 14 1 1 A 30 30 THR H H 30 8.106 7.778 0.328 1
1 285 . 14 1 1 A 30 30 THR HA H 30 3.910 4.027 -0.117 1
1 290 . 14 1 1 A 30 30 THR C C 30 176.144 176.432 -0.288 1
1 291 . 14 1 1 A 30 30 THR CA C 30 66.260 65.847 0.413 1
1 292 . 14 1 1 A 30 30 THR CB C 30 68.792 68.885 -0.093 1
1 294 . 14 1 1 A 30 30 THR N N 30 117.533 115.873 1.660 1
1 295 . 14 1 1 A 31 31 HIS H H 31 7.341 7.809 -0.468 1
1 296 . 14 1 1 A 31 31 HIS HA H 31 4.205 4.322 -0.117 1
1 301 . 14 1 1 A 31 31 HIS C C 31 176.196 177.063 -0.867 1
1 302 . 14 1 1 A 31 31 HIS CA C 31 58.919 58.440 0.479 1
1 303 . 14 1 1 A 31 31 HIS CB C 31 28.268 30.160 -1.892 1
1 306 . 14 1 1 A 31 31 HIS N N 31 120.815 120.199 0.616 1
1 307 . 14 1 1 A 32 32 GLN H H 32 8.186 8.003 0.183 1
1 308 . 14 1 1 A 32 32 GLN HA H 32 3.562 3.937 -0.375 1
1 315 . 14 1 1 A 32 32 GLN C C 32 177.032 178.499 -1.467 1
1 316 . 14 1 1 A 32 32 GLN CA C 32 59.582 58.360 1.222 1
1 317 . 14 1 1 A 32 32 GLN CB C 32 28.457 28.676 -0.219 1
1 319 . 14 1 1 A 32 32 GLN N N 32 114.261 118.625 -4.364 1
1 321 . 14 1 1 A 33 33 VAL H H 33 6.965 7.523 -0.558 1
1 322 . 14 1 1 A 33 33 VAL HA H 33 3.868 3.941 -0.073 1
1 330 . 14 1 1 A 33 33 VAL C C 33 178.168 178.392 -0.224 1
1 331 . 14 1 1 A 33 33 VAL CA C 33 64.658 65.992 -1.334 1
1 332 . 14 1 1 A 33 33 VAL CB C 33 31.715 31.538 0.177 1
1 335 . 14 1 1 A 33 33 VAL N N 33 117.665 119.908 -2.243 1
1 336 . 14 1 1 A 34 34 ILE H H 34 7.621 7.373 0.248 1
1 337 . 14 1 1 A 34 34 ILE HA H 34 3.941 3.733 0.208 1
1 347 . 14 1 1 A 34 34 ILE C C 34 177.076 176.749 0.327 1
1 348 . 14 1 1 A 34 34 ILE CA C 34 63.207 63.979 -0.772 1
1 349 . 14 1 1 A 34 34 ILE CB C 34 37.688 37.219 0.469 1
1 353 . 14 1 1 A 34 34 ILE N N 34 117.372 116.974 0.398 1
1 354 . 14 1 1 A 35 35 HIS H H 35 7.253 7.716 -0.463 1
1 355 . 14 1 1 A 35 35 HIS HA H 35 4.908 4.483 0.425 1
1 360 . 14 1 1 A 35 35 HIS C C 35 175.795 175.295 0.500 1
1 361 . 14 1 1 A 35 35 HIS CA C 35 54.926 57.512 -2.586 1
1 362 . 14 1 1 A 35 35 HIS CB C 35 28.529 30.545 -2.016 1
1 365 . 14 1 1 A 35 35 HIS N N 35 117.505 119.409 -1.904 1
1 366 . 14 1 1 A 36 36 THR H H 36 7.827 7.622 0.205 1
1 367 . 14 1 1 A 36 36 THR HA H 36 4.331 4.448 -0.117 1
1 372 . 14 1 1 A 36 36 THR C C 36 175.532 175.198 0.334 1
1 373 . 14 1 1 A 36 36 THR CA C 36 63.020 61.056 1.964 1
1 374 . 14 1 1 A 36 36 THR CB C 36 69.891 70.157 -0.266 1
1 376 . 14 1 1 A 36 36 THR N N 36 112.717 109.877 2.840 1
1 377 . 14 1 1 A 37 37 GLY H H 37 8.358 8.793 -0.435 1
1 378 . 14 1 1 A 37 37 GLY HA2 H 37 4.010 4.013 -0.003 1
1 379 . 14 1 1 A 37 37 GLY HA3 H 37 4.010 4.019 -0.009 1
1 380 . 14 1 1 A 37 37 GLY C C 37 174.222 174.097 0.125 1
1 381 . 14 1 1 A 37 37 GLY CA C 37 45.394 45.933 -0.539 1
1 382 . 14 1 1 A 37 37 GLY N N 37 110.814 113.458 -2.644 1
1 383 . 14 1 1 A 38 38 GLU H H 38 8.119 8.123 -0.004 1
1 384 . 14 1 1 A 38 38 GLU HA H 38 4.233 4.671 -0.438 1
1 389 . 14 1 1 A 38 38 GLU C C 38 176.521 176.125 0.396 1
1 390 . 14 1 1 A 38 38 GLU CA C 38 56.698 57.569 -0.871 1
1 391 . 14 1 1 A 38 38 GLU CB C 38 30.459 32.404 -1.945 1
1 393 . 14 1 1 A 38 38 GLU N N 38 120.653 119.429 1.224 1
1 394 . 14 1 1 A 39 39 LYS H H 39 8.372 7.614 0.758 1
1 395 . 14 1 1 A 39 39 LYS HA H 39 4.325 4.187 0.138 1
1 404 . 14 1 1 A 39 39 LYS C C 39 176.520 176.703 -0.183 1
1 405 . 14 1 1 A 39 39 LYS CA C 39 56.254 56.673 -0.419 1
1 406 . 14 1 1 A 39 39 LYS CB C 39 32.719 33.607 -0.888 1
1 410 . 14 1 1 A 39 39 LYS N N 39 122.536 119.944 2.592 1
1 411 . 14 1 1 A 40 40 ARG H H 40 8.435 8.640 -0.205 1
1 412 . 14 1 1 A 40 40 ARG HA H 40 4.407 3.989 0.418 1
1 419 . 14 1 1 A 40 40 ARG C C 40 176.290 178.592 -2.302 1
1 420 . 14 1 1 A 40 40 ARG CA C 40 56.011 60.442 -4.431 1
1 421 . 14 1 1 A 40 40 ARG CB C 40 30.978 30.180 0.798 1
1 424 . 14 1 1 A 40 40 ARG N N 40 122.912 127.732 -4.820 1
1 425 . 14 1 1 A 41 41 SER H H 41 8.428 7.833 0.595 1
1 426 . 14 1 1 A 41 41 SER HA H 41 4.507 4.313 0.194 1
1 429 . 14 1 1 A 41 41 SER C C 41 174.450 174.860 -0.410 1
1 430 . 14 1 1 A 41 41 SER CA C 41 58.208 60.591 -2.383 1
1 431 . 14 1 1 A 41 41 SER CB C 41 64.046 63.602 0.444 1
1 432 . 14 1 1 A 41 41 SER N N 41 117.335 113.179 4.156 1
1 433 . 14 1 1 A 42 42 GLY H H 42 8.265 7.846 0.419 1
1 434 . 14 1 1 A 42 42 GLY HA2 H 42 4.149 4.102 0.047 1
1 435 . 14 1 1 A 42 42 GLY HA3 H 42 4.115 4.103 0.012 1
1 436 . 14 1 1 A 42 42 GLY C C 42 171.715 173.086 -1.371 1
1 437 . 14 1 1 A 42 42 GLY CA C 42 44.661 44.835 -0.174 1
1 438 . 14 1 1 A 42 42 GLY N N 42 110.713 107.634 3.079 1
1 439 . 14 1 1 A 43 43 PRO HA H 43 4.476 4.721 -0.245 1
1 446 . 14 1 1 A 43 43 PRO C C 43 177.405 175.959 1.446 1
1 447 . 14 1 1 A 43 43 PRO CA C 43 63.215 62.613 0.602 1
1 448 . 14 1 1 A 43 43 PRO CB C 43 32.224 30.257 1.967 1
1 451 . 14 1 1 A 44 44 SER H H 44 8.543 8.401 0.142 1
1 452 . 14 1 1 A 44 44 SER HA H 44 4.507 4.829 -0.322 1
1 455 . 14 1 1 A 44 44 SER C C 44 174.588 173.434 1.154 1
1 456 . 14 1 1 A 44 44 SER CA C 44 58.352 57.806 0.546 1
1 457 . 14 1 1 A 44 44 SER CB C 44 63.989 64.295 -0.306 1
1 458 . 14 1 1 A 44 44 SER N N 44 116.402 120.363 -3.961 1
1 459 . 14 1 1 A 45 45 SER H H 45 8.318 8.703 -0.385 1
1 460 . 14 1 1 A 45 45 SER HA H 45 4.508 5.191 -0.683 1
1 463 . 14 1 1 A 45 45 SER C C 45 173.887 174.098 -0.211 1
1 464 . 14 1 1 A 45 45 SER CA C 45 58.286 56.269 2.017 1
1 465 . 14 1 1 A 45 45 SER CB C 45 64.037 66.013 -1.976 1
1 466 . 14 1 1 A 45 45 SER N N 45 117.792 118.340 -0.548 1
1 1 . 15 1 1 A 7 7 GLY HA2 H 7 3.998 4.072 -0.074 1
1 2 . 15 1 1 A 7 7 GLY HA3 H 7 3.998 4.074 -0.076 1
1 3 . 15 1 1 A 7 7 GLY C C 7 174.369 173.369 1.000 1
1 4 . 15 1 1 A 7 7 GLY CA C 7 45.413 44.736 0.677 1
1 5 . 15 1 1 A 8 8 THR H H 8 8.058 8.456 -0.398 1
1 6 . 15 1 1 A 8 8 THR HA H 8 4.332 5.289 -0.957 1
1 11 . 15 1 1 A 8 8 THR C C 8 174.812 175.280 -0.468 1
1 12 . 15 1 1 A 8 8 THR CA C 8 61.812 59.632 2.180 1
1 13 . 15 1 1 A 8 8 THR CB C 8 69.909 71.467 -1.558 1
1 15 . 15 1 1 A 8 8 THR N N 8 113.853 114.318 -0.465 1
1 16 . 15 1 1 A 9 9 LYS H H 9 8.368 8.712 -0.344 1
1 17 . 15 1 1 A 9 9 LYS HA H 9 4.234 4.479 -0.245 1
1 26 . 15 1 1 A 9 9 LYS C C 9 176.726 175.012 1.714 1
1 27 . 15 1 1 A 9 9 LYS CA C 9 56.616 56.237 0.379 1
1 28 . 15 1 1 A 9 9 LYS CB C 9 32.666 32.227 0.439 1
1 32 . 15 1 1 A 9 9 LYS N N 9 122.996 122.728 0.268 1
1 33 . 15 1 1 A 10 10 GLU H H 10 8.247 7.942 0.305 1
1 34 . 15 1 1 A 10 10 GLU HA H 10 4.120 4.796 -0.676 1
1 39 . 15 1 1 A 10 10 GLU C C 10 176.223 175.136 1.087 1
1 40 . 15 1 1 A 10 10 GLU CA C 10 57.320 54.915 2.405 1
1 41 . 15 1 1 A 10 10 GLU CB C 10 30.234 32.837 -2.603 1
1 43 . 15 1 1 A 10 10 GLU N N 10 120.550 116.782 3.768 1
1 44 . 15 1 1 A 11 11 LYS H H 11 8.016 8.854 -0.838 1
1 45 . 15 1 1 A 11 11 LYS HA H 11 4.517 3.845 0.672 1
1 54 . 15 1 1 A 11 11 LYS C C 11 173.757 176.809 -3.052 1
1 55 . 15 1 1 A 11 11 LYS CA C 11 53.783 56.880 -3.097 1
1 56 . 15 1 1 A 11 11 LYS CB C 11 33.260 30.416 2.844 1
1 60 . 15 1 1 A 11 11 LYS N N 11 119.846 118.646 1.200 1
1 61 . 15 1 1 A 12 12 PRO HA H 12 4.272 4.537 -0.265 1
1 68 . 15 1 1 A 12 12 PRO C C 12 176.667 176.239 0.428 1
1 69 . 15 1 1 A 12 12 PRO CA C 12 63.412 65.450 -2.038 1
1 70 . 15 1 1 A 12 12 PRO CB C 12 32.362 31.876 0.486 1
1 73 . 15 1 1 A 13 13 TYR H H 13 7.801 7.653 0.148 1
1 74 . 15 1 1 A 13 13 TYR HA H 13 4.578 4.649 -0.071 1
1 81 . 15 1 1 A 13 13 TYR C C 13 174.321 174.939 -0.618 1
1 82 . 15 1 1 A 13 13 TYR CA C 13 57.814 58.372 -0.558 1
1 83 . 15 1 1 A 13 13 TYR CB C 13 38.437 38.480 -0.043 1
1 88 . 15 1 1 A 13 13 TYR N N 13 118.297 118.149 0.148 1
1 89 . 15 1 1 A 14 14 LYS H H 14 8.450 8.876 -0.426 1
1 90 . 15 1 1 A 14 14 LYS HA H 14 4.734 5.324 -0.590 1
1 99 . 15 1 1 A 14 14 LYS C C 14 174.596 175.647 -1.051 1
1 100 . 15 1 1 A 14 14 LYS CA C 14 55.254 54.425 0.829 1
1 101 . 15 1 1 A 14 14 LYS CB C 14 35.279 35.592 -0.313 1
1 105 . 15 1 1 A 14 14 LYS N N 14 125.533 125.537 -0.004 1
1 106 . 15 1 1 A 15 15 CYS H H 15 9.186 8.932 0.254 1
1 107 . 15 1 1 A 15 15 CYS HA H 15 4.563 4.402 0.161 1
1 110 . 15 1 1 A 15 15 CYS C C 15 176.896 175.821 1.075 1
1 111 . 15 1 1 A 15 15 CYS CA C 15 58.735 59.357 -0.622 1
1 112 . 15 1 1 A 15 15 CYS CB C 15 29.404 28.485 0.919 1
1 113 . 15 1 1 A 15 15 CYS N N 15 126.149 125.508 0.641 1
1 114 . 15 1 1 A 16 16 TYR H H 16 9.138 8.005 1.133 1
1 115 . 15 1 1 A 16 16 TYR HA H 16 4.325 4.344 -0.019 1
1 122 . 15 1 1 A 16 16 TYR C C 16 176.155 177.806 -1.651 1
1 123 . 15 1 1 A 16 16 TYR CA C 16 60.508 61.027 -0.519 1
1 124 . 15 1 1 A 16 16 TYR CB C 16 37.564 37.469 0.095 1
1 129 . 15 1 1 A 16 16 TYR N N 16 130.571 126.220 4.351 1
1 130 . 15 1 1 A 17 17 GLU H H 17 8.405 8.251 0.154 1
1 131 . 15 1 1 A 17 17 GLU HA H 17 4.138 4.050 0.088 1
1 136 . 15 1 1 A 17 17 GLU C C 17 177.140 177.885 -0.745 1
1 137 . 15 1 1 A 17 17 GLU CA C 17 58.636 58.771 -0.135 1
1 138 . 15 1 1 A 17 17 GLU CB C 17 29.210 29.472 -0.262 1
1 140 . 15 1 1 A 17 17 GLU N N 17 120.856 120.436 0.420 1
1 141 . 15 1 1 A 18 18 CYS H H 18 7.766 7.926 -0.160 1
1 142 . 15 1 1 A 18 18 CYS HA H 18 5.158 4.702 0.456 1
1 145 . 15 1 1 A 18 18 CYS C C 18 176.122 175.670 0.452 1
1 146 . 15 1 1 A 18 18 CYS CA C 18 58.203 59.268 -1.065 1
1 147 . 15 1 1 A 18 18 CYS CB C 18 32.419 30.351 2.068 1
1 148 . 15 1 1 A 18 18 CYS N N 18 113.779 114.934 -1.155 1
1 149 . 15 1 1 A 19 19 GLY H H 19 8.233 8.172 0.061 1
1 150 . 15 1 1 A 19 19 GLY HA2 H 19 3.693 4.092 -0.399 1
1 151 . 15 1 1 A 19 19 GLY HA3 H 19 4.262 4.114 0.148 1
1 152 . 15 1 1 A 19 19 GLY C C 19 173.845 174.728 -0.883 1
1 153 . 15 1 1 A 19 19 GLY CA C 19 46.274 45.044 1.230 1
1 154 . 15 1 1 A 19 19 GLY N N 19 113.979 110.089 3.890 1
1 155 . 15 1 1 A 20 20 LYS H H 20 7.886 7.406 0.480 1
1 156 . 15 1 1 A 20 20 LYS HA H 20 3.959 4.239 -0.280 1
1 165 . 15 1 1 A 20 20 LYS C C 20 173.244 175.080 -1.836 1
1 166 . 15 1 1 A 20 20 LYS CA C 20 58.013 56.142 1.871 1
1 167 . 15 1 1 A 20 20 LYS CB C 20 33.996 34.045 -0.049 1
1 171 . 15 1 1 A 20 20 LYS N N 20 122.721 120.417 2.304 1
1 172 . 15 1 1 A 21 21 ALA H H 21 7.714 7.685 0.029 1
1 173 . 15 1 1 A 21 21 ALA HA H 21 5.064 5.471 -0.407 1
1 177 . 15 1 1 A 21 21 ALA C C 21 175.915 174.798 1.117 1
1 178 . 15 1 1 A 21 21 ALA CA C 21 50.272 50.274 -0.002 1
1 179 . 15 1 1 A 21 21 ALA CB C 21 22.367 23.875 -1.508 1
1 180 . 15 1 1 A 21 21 ALA N N 21 122.778 119.962 2.816 1
1 181 . 15 1 1 A 22 22 PHE H H 22 8.686 8.822 -0.136 1
1 182 . 15 1 1 A 22 22 PHE HA H 22 4.724 4.800 -0.076 1
1 190 . 15 1 1 A 22 22 PHE C C 22 175.341 175.596 -0.255 1
1 191 . 15 1 1 A 22 22 PHE CA C 22 57.367 56.445 0.922 1
1 192 . 15 1 1 A 22 22 PHE CB C 22 43.930 43.069 0.861 1
1 198 . 15 1 1 A 22 22 PHE N N 22 116.150 116.315 -0.165 1
1 199 . 15 1 1 A 23 23 ARG H H 23 9.607 8.776 0.831 1
1 200 . 15 1 1 A 23 23 ARG HA H 23 4.514 4.121 0.393 1
1 207 . 15 1 1 A 23 23 ARG C C 23 176.305 176.350 -0.045 1
1 208 . 15 1 1 A 23 23 ARG CA C 23 58.710 59.193 -0.483 1
1 209 . 15 1 1 A 23 23 ARG CB C 23 32.010 30.613 1.397 1
1 212 . 15 1 1 A 23 23 ARG N N 23 120.730 122.861 -2.131 1
1 213 . 15 1 1 A 24 24 THR H H 24 7.231 7.711 -0.480 1
1 214 . 15 1 1 A 24 24 THR HA H 24 4.787 4.222 0.565 1
1 219 . 15 1 1 A 24 24 THR C C 24 173.868 174.962 -1.094 1
1 220 . 15 1 1 A 24 24 THR CA C 24 58.268 59.480 -1.212 1
1 221 . 15 1 1 A 24 24 THR CB C 24 72.469 70.963 1.506 1
1 223 . 15 1 1 A 24 24 THR N N 24 103.056 111.458 -8.402 1
1 224 . 15 1 1 A 25 25 ARG H H 25 8.333 8.653 -0.320 1
1 225 . 15 1 1 A 25 25 ARG HA H 25 4.787 4.133 0.654 1
1 232 . 15 1 1 A 25 25 ARG C C 25 178.700 177.519 1.181 1
1 233 . 15 1 1 A 25 25 ARG CA C 25 58.670 59.144 -0.474 1
1 234 . 15 1 1 A 25 25 ARG CB C 25 29.210 30.317 -1.107 1
1 237 . 15 1 1 A 25 25 ARG N N 25 123.788 122.913 0.875 1
1 238 . 15 1 1 A 26 26 SER HA H 26 4.136 4.022 0.114 1
1 241 . 15 1 1 A 26 26 SER C C 26 176.659 176.982 -0.323 1
1 242 . 15 1 1 A 26 26 SER CA C 26 61.194 61.488 -0.294 1
1 243 . 15 1 1 A 26 26 SER CB C 26 62.241 63.044 -0.803 1
1 244 . 15 1 1 A 26 26 SER N N 26 116.000 113.987 2.013 1
1 245 . 15 1 1 A 27 27 ASN H H 27 7.748 7.700 0.048 1
1 246 . 15 1 1 A 27 27 ASN HA H 27 4.390 4.410 -0.020 1
1 251 . 15 1 1 A 27 27 ASN C C 27 177.533 176.993 0.540 1
1 252 . 15 1 1 A 27 27 ASN CA C 27 55.425 55.948 -0.523 1
1 253 . 15 1 1 A 27 27 ASN CB C 27 38.124 39.164 -1.040 1
1 254 . 15 1 1 A 27 27 ASN N N 27 120.092 119.123 0.969 1
1 255 . 15 1 1 A 28 28 LEU H H 28 7.264 7.789 -0.525 1
1 256 . 15 1 1 A 28 28 LEU HA H 28 3.261 1.854 1.407 1
1 266 . 15 1 1 A 28 28 LEU C C 28 177.429 178.234 -0.805 1
1 267 . 15 1 1 A 28 28 LEU CA C 28 58.283 57.174 1.109 1
1 268 . 15 1 1 A 28 28 LEU CB C 28 40.483 41.547 -1.064 1
1 272 . 15 1 1 A 28 28 LEU N N 28 122.398 120.056 2.342 1
1 273 . 15 1 1 A 29 29 THR H H 29 8.649 8.217 0.432 1
1 274 . 15 1 1 A 29 29 THR HA H 29 3.970 3.844 0.126 1
1 279 . 15 1 1 A 29 29 THR C C 29 177.377 176.132 1.245 1
1 280 . 15 1 1 A 29 29 THR CA C 29 66.593 66.418 0.175 1
1 281 . 15 1 1 A 29 29 THR CB C 29 68.457 68.576 -0.119 1
1 283 . 15 1 1 A 29 29 THR N N 29 116.386 113.950 2.436 1
1 284 . 15 1 1 A 30 30 THR H H 30 8.106 7.713 0.393 1
1 285 . 15 1 1 A 30 30 THR HA H 30 3.910 3.999 -0.089 1
1 290 . 15 1 1 A 30 30 THR C C 30 176.144 176.458 -0.314 1
1 291 . 15 1 1 A 30 30 THR CA C 30 66.260 65.863 0.397 1
1 292 . 15 1 1 A 30 30 THR CB C 30 68.792 68.890 -0.098 1
1 294 . 15 1 1 A 30 30 THR N N 30 117.533 115.893 1.640 1
1 295 . 15 1 1 A 31 31 HIS H H 31 7.341 7.583 -0.242 1
1 296 . 15 1 1 A 31 31 HIS HA H 31 4.205 4.245 -0.040 1
1 301 . 15 1 1 A 31 31 HIS C C 31 176.196 177.270 -1.074 1
1 302 . 15 1 1 A 31 31 HIS CA C 31 58.919 58.677 0.242 1
1 303 . 15 1 1 A 31 31 HIS CB C 31 28.268 30.061 -1.793 1
1 306 . 15 1 1 A 31 31 HIS N N 31 120.815 120.221 0.594 1
1 307 . 15 1 1 A 32 32 GLN H H 32 8.186 8.045 0.141 1
1 308 . 15 1 1 A 32 32 GLN HA H 32 3.562 3.907 -0.345 1
1 315 . 15 1 1 A 32 32 GLN C C 32 177.032 178.487 -1.455 1
1 316 . 15 1 1 A 32 32 GLN CA C 32 59.582 58.382 1.200 1
1 317 . 15 1 1 A 32 32 GLN CB C 32 28.457 28.641 -0.184 1
1 319 . 15 1 1 A 32 32 GLN N N 32 114.261 118.665 -4.404 1
1 321 . 15 1 1 A 33 33 VAL H H 33 6.965 7.540 -0.575 1
1 322 . 15 1 1 A 33 33 VAL HA H 33 3.868 3.869 -0.001 1
1 330 . 15 1 1 A 33 33 VAL C C 33 178.168 178.230 -0.062 1
1 331 . 15 1 1 A 33 33 VAL CA C 33 64.658 65.923 -1.265 1
1 332 . 15 1 1 A 33 33 VAL CB C 33 31.715 31.490 0.225 1
1 335 . 15 1 1 A 33 33 VAL N N 33 117.665 119.961 -2.296 1
1 336 . 15 1 1 A 34 34 ILE H H 34 7.621 7.410 0.211 1
1 337 . 15 1 1 A 34 34 ILE HA H 34 3.941 3.722 0.219 1
1 347 . 15 1 1 A 34 34 ILE C C 34 177.076 176.737 0.339 1
1 348 . 15 1 1 A 34 34 ILE CA C 34 63.207 63.994 -0.787 1
1 349 . 15 1 1 A 34 34 ILE CB C 34 37.688 37.217 0.471 1
1 353 . 15 1 1 A 34 34 ILE N N 34 117.372 116.986 0.386 1
1 354 . 15 1 1 A 35 35 HIS H H 35 7.253 7.614 -0.361 1
1 355 . 15 1 1 A 35 35 HIS HA H 35 4.908 4.474 0.434 1
1 360 . 15 1 1 A 35 35 HIS C C 35 175.795 175.194 0.601 1
1 361 . 15 1 1 A 35 35 HIS CA C 35 54.926 57.428 -2.502 1
1 362 . 15 1 1 A 35 35 HIS CB C 35 28.529 30.296 -1.767 1
1 365 . 15 1 1 A 35 35 HIS N N 35 117.505 119.751 -2.246 1
1 366 . 15 1 1 A 36 36 THR H H 36 7.827 7.675 0.152 1
1 367 . 15 1 1 A 36 36 THR HA H 36 4.331 4.656 -0.325 1
1 372 . 15 1 1 A 36 36 THR C C 36 175.532 174.429 1.103 1
1 373 . 15 1 1 A 36 36 THR CA C 36 63.020 60.731 2.289 1
1 374 . 15 1 1 A 36 36 THR CB C 36 69.891 71.827 -1.936 1
1 376 . 15 1 1 A 36 36 THR N N 36 112.717 110.069 2.648 1
1 377 . 15 1 1 A 37 37 GLY H H 37 8.358 8.353 0.005 1
1 378 . 15 1 1 A 37 37 GLY HA2 H 37 4.010 4.186 -0.176 1
1 379 . 15 1 1 A 37 37 GLY HA3 H 37 4.010 4.191 -0.181 1
1 380 . 15 1 1 A 37 37 GLY C C 37 174.222 173.661 0.561 1
1 381 . 15 1 1 A 37 37 GLY CA C 37 45.394 46.269 -0.875 1
1 382 . 15 1 1 A 37 37 GLY N N 37 110.814 108.851 1.963 1
1 383 . 15 1 1 A 38 38 GLU H H 38 8.119 8.879 -0.760 1
1 384 . 15 1 1 A 38 38 GLU HA H 38 4.233 4.470 -0.237 1
1 389 . 15 1 1 A 38 38 GLU C C 38 176.521 176.700 -0.179 1
1 390 . 15 1 1 A 38 38 GLU CA C 38 56.698 57.264 -0.566 1
1 391 . 15 1 1 A 38 38 GLU CB C 38 30.459 31.955 -1.496 1
1 393 . 15 1 1 A 38 38 GLU N N 38 120.653 124.382 -3.729 1
1 394 . 15 1 1 A 39 39 LYS H H 39 8.372 7.479 0.893 1
1 395 . 15 1 1 A 39 39 LYS HA H 39 4.325 4.352 -0.027 1
1 404 . 15 1 1 A 39 39 LYS C C 39 176.520 176.674 -0.154 1
1 405 . 15 1 1 A 39 39 LYS CA C 39 56.254 56.253 0.001 1
1 406 . 15 1 1 A 39 39 LYS CB C 39 32.719 33.099 -0.380 1
1 410 . 15 1 1 A 39 39 LYS N N 39 122.536 120.538 1.998 1
1 411 . 15 1 1 A 40 40 ARG H H 40 8.435 8.992 -0.557 1
1 412 . 15 1 1 A 40 40 ARG HA H 40 4.407 3.804 0.603 1
1 419 . 15 1 1 A 40 40 ARG C C 40 176.290 174.609 1.681 1
1 420 . 15 1 1 A 40 40 ARG CA C 40 56.011 57.124 -1.113 1
1 421 . 15 1 1 A 40 40 ARG CB C 40 30.978 27.551 3.427 1
1 424 . 15 1 1 A 40 40 ARG N N 40 122.912 119.593 3.319 1
1 425 . 15 1 1 A 41 41 SER H H 41 8.428 7.606 0.822 1
1 426 . 15 1 1 A 41 41 SER HA H 41 4.507 4.992 -0.485 1
1 429 . 15 1 1 A 41 41 SER C C 41 174.450 174.056 0.394 1
1 430 . 15 1 1 A 41 41 SER CA C 41 58.208 57.546 0.662 1
1 431 . 15 1 1 A 41 41 SER CB C 41 64.046 67.847 -3.801 1
1 432 . 15 1 1 A 41 41 SER N N 41 117.335 112.799 4.536 1
1 433 . 15 1 1 A 42 42 GLY H H 42 8.265 8.526 -0.261 1
1 434 . 15 1 1 A 42 42 GLY HA2 H 42 4.149 4.099 0.050 1
1 435 . 15 1 1 A 42 42 GLY HA3 H 42 4.115 4.100 0.015 1
1 436 . 15 1 1 A 42 42 GLY C C 42 171.715 173.866 -2.151 1
1 437 . 15 1 1 A 42 42 GLY CA C 42 44.661 44.283 0.378 1
1 438 . 15 1 1 A 42 42 GLY N N 42 110.713 109.038 1.675 1
1 439 . 15 1 1 A 43 43 PRO HA H 43 4.476 4.727 -0.251 1
1 446 . 15 1 1 A 43 43 PRO C C 43 177.405 175.180 2.225 1
1 447 . 15 1 1 A 43 43 PRO CA C 43 63.215 62.321 0.894 1
1 448 . 15 1 1 A 43 43 PRO CB C 43 32.224 29.598 2.626 1
1 451 . 15 1 1 A 44 44 SER H H 44 8.543 8.365 0.178 1
1 452 . 15 1 1 A 44 44 SER HA H 44 4.507 4.883 -0.376 1
1 455 . 15 1 1 A 44 44 SER C C 44 174.588 173.350 1.238 1
1 456 . 15 1 1 A 44 44 SER CA C 44 58.352 57.010 1.342 1
1 457 . 15 1 1 A 44 44 SER CB C 44 63.989 65.336 -1.347 1
1 458 . 15 1 1 A 44 44 SER N N 44 116.402 118.957 -2.555 1
1 459 . 15 1 1 A 45 45 SER H H 45 8.318 8.722 -0.404 1
1 460 . 15 1 1 A 45 45 SER HA H 45 4.508 4.454 0.054 1
1 463 . 15 1 1 A 45 45 SER C C 45 173.887 174.863 -0.976 1
1 464 . 15 1 1 A 45 45 SER CA C 45 58.286 60.105 -1.819 1
1 465 . 15 1 1 A 45 45 SER CB C 45 64.037 62.962 1.075 1
1 466 . 15 1 1 A 45 45 SER N N 45 117.792 124.445 -6.653 1
1 1 . 16 1 1 A 7 7 GLY HA2 H 7 3.998 4.116 -0.118 1
1 2 . 16 1 1 A 7 7 GLY HA3 H 7 3.998 4.116 -0.118 1
1 3 . 16 1 1 A 7 7 GLY C C 7 174.369 174.365 0.004 1
1 4 . 16 1 1 A 7 7 GLY CA C 7 45.413 45.709 -0.296 1
1 5 . 16 1 1 A 8 8 THR H H 8 8.058 7.568 0.490 1
1 6 . 16 1 1 A 8 8 THR HA H 8 4.332 4.288 0.044 1
1 11 . 16 1 1 A 8 8 THR C C 8 174.812 174.472 0.340 1
1 12 . 16 1 1 A 8 8 THR CA C 8 61.812 62.065 -0.253 1
1 13 . 16 1 1 A 8 8 THR CB C 8 69.909 68.937 0.972 1
1 15 . 16 1 1 A 8 8 THR N N 8 113.853 112.633 1.220 1
1 16 . 16 1 1 A 9 9 LYS H H 9 8.368 8.587 -0.219 1
1 17 . 16 1 1 A 9 9 LYS HA H 9 4.234 4.914 -0.680 1
1 26 . 16 1 1 A 9 9 LYS C C 9 176.726 175.154 1.572 1
1 27 . 16 1 1 A 9 9 LYS CA C 9 56.616 54.194 2.422 1
1 28 . 16 1 1 A 9 9 LYS CB C 9 32.666 37.171 -4.505 1
1 32 . 16 1 1 A 9 9 LYS N N 9 122.996 125.353 -2.357 1
1 33 . 16 1 1 A 10 10 GLU H H 10 8.247 8.999 -0.752 1
1 34 . 16 1 1 A 10 10 GLU HA H 10 4.120 4.867 -0.747 1
1 39 . 16 1 1 A 10 10 GLU C C 10 176.223 175.150 1.073 1
1 40 . 16 1 1 A 10 10 GLU CA C 10 57.320 54.780 2.540 1
1 41 . 16 1 1 A 10 10 GLU CB C 10 30.234 32.855 -2.621 1
1 43 . 16 1 1 A 10 10 GLU N N 10 120.550 121.277 -0.727 1
1 44 . 16 1 1 A 11 11 LYS H H 11 8.016 8.741 -0.725 1
1 45 . 16 1 1 A 11 11 LYS HA H 11 4.517 3.860 0.657 1
1 54 . 16 1 1 A 11 11 LYS C C 11 173.757 176.624 -2.867 1
1 55 . 16 1 1 A 11 11 LYS CA C 11 53.783 56.776 -2.993 1
1 56 . 16 1 1 A 11 11 LYS CB C 11 33.260 30.115 3.145 1
1 60 . 16 1 1 A 11 11 LYS N N 11 119.846 120.588 -0.742 1
1 61 . 16 1 1 A 12 12 PRO HA H 12 4.272 4.581 -0.309 1
1 68 . 16 1 1 A 12 12 PRO C C 12 176.667 176.286 0.381 1
1 69 . 16 1 1 A 12 12 PRO CA C 12 63.412 65.395 -1.983 1
1 70 . 16 1 1 A 12 12 PRO CB C 12 32.362 31.979 0.383 1
1 73 . 16 1 1 A 13 13 TYR H H 13 7.801 7.656 0.145 1
1 74 . 16 1 1 A 13 13 TYR HA H 13 4.578 4.599 -0.021 1
1 81 . 16 1 1 A 13 13 TYR C C 13 174.321 174.875 -0.554 1
1 82 . 16 1 1 A 13 13 TYR CA C 13 57.814 57.964 -0.150 1
1 83 . 16 1 1 A 13 13 TYR CB C 13 38.437 38.454 -0.017 1
1 88 . 16 1 1 A 13 13 TYR N N 13 118.297 118.011 0.286 1
1 89 . 16 1 1 A 14 14 LYS H H 14 8.450 8.841 -0.391 1
1 90 . 16 1 1 A 14 14 LYS HA H 14 4.734 5.341 -0.607 1
1 99 . 16 1 1 A 14 14 LYS C C 14 174.596 175.715 -1.119 1
1 100 . 16 1 1 A 14 14 LYS CA C 14 55.254 54.426 0.828 1
1 101 . 16 1 1 A 14 14 LYS CB C 14 35.279 35.720 -0.441 1
1 105 . 16 1 1 A 14 14 LYS N N 14 125.533 125.675 -0.142 1
1 106 . 16 1 1 A 15 15 CYS H H 15 9.186 9.392 -0.206 1
1 107 . 16 1 1 A 15 15 CYS HA H 15 4.563 4.437 0.126 1
1 110 . 16 1 1 A 15 15 CYS C C 15 176.896 175.536 1.360 1
1 111 . 16 1 1 A 15 15 CYS CA C 15 58.735 59.034 -0.299 1
1 112 . 16 1 1 A 15 15 CYS CB C 15 29.404 28.250 1.154 1
1 113 . 16 1 1 A 15 15 CYS N N 15 126.149 125.142 1.007 1
1 114 . 16 1 1 A 16 16 TYR H H 16 9.138 7.940 1.198 1
1 115 . 16 1 1 A 16 16 TYR HA H 16 4.325 4.336 -0.011 1
1 122 . 16 1 1 A 16 16 TYR C C 16 176.155 177.908 -1.753 1
1 123 . 16 1 1 A 16 16 TYR CA C 16 60.508 60.966 -0.458 1
1 124 . 16 1 1 A 16 16 TYR CB C 16 37.564 37.541 0.023 1
1 129 . 16 1 1 A 16 16 TYR N N 16 130.571 126.143 4.428 1
1 130 . 16 1 1 A 17 17 GLU H H 17 8.405 8.223 0.182 1
1 131 . 16 1 1 A 17 17 GLU HA H 17 4.138 4.066 0.072 1
1 136 . 16 1 1 A 17 17 GLU C C 17 177.140 177.826 -0.686 1
1 137 . 16 1 1 A 17 17 GLU CA C 17 58.636 58.837 -0.201 1
1 138 . 16 1 1 A 17 17 GLU CB C 17 29.210 29.550 -0.340 1
1 140 . 16 1 1 A 17 17 GLU N N 17 120.856 120.571 0.285 1
1 141 . 16 1 1 A 18 18 CYS H H 18 7.766 7.989 -0.223 1
1 142 . 16 1 1 A 18 18 CYS HA H 18 5.158 4.693 0.465 1
1 145 . 16 1 1 A 18 18 CYS C C 18 176.122 175.510 0.612 1
1 146 . 16 1 1 A 18 18 CYS CA C 18 58.203 59.563 -1.360 1
1 147 . 16 1 1 A 18 18 CYS CB C 18 32.419 30.055 2.364 1
1 148 . 16 1 1 A 18 18 CYS N N 18 113.779 114.806 -1.027 1
1 149 . 16 1 1 A 19 19 GLY H H 19 8.233 7.946 0.287 1
1 150 . 16 1 1 A 19 19 GLY HA2 H 19 3.693 4.104 -0.411 1
1 151 . 16 1 1 A 19 19 GLY HA3 H 19 4.262 4.122 0.140 1
1 152 . 16 1 1 A 19 19 GLY C C 19 173.845 174.502 -0.657 1
1 153 . 16 1 1 A 19 19 GLY CA C 19 46.274 44.926 1.348 1
1 154 . 16 1 1 A 19 19 GLY N N 19 113.979 109.860 4.119 1
1 155 . 16 1 1 A 20 20 LYS H H 20 7.886 7.420 0.466 1
1 156 . 16 1 1 A 20 20 LYS HA H 20 3.959 4.247 -0.288 1
1 165 . 16 1 1 A 20 20 LYS C C 20 173.244 175.106 -1.862 1
1 166 . 16 1 1 A 20 20 LYS CA C 20 58.013 56.098 1.915 1
1 167 . 16 1 1 A 20 20 LYS CB C 20 33.996 34.110 -0.114 1
1 171 . 16 1 1 A 20 20 LYS N N 20 122.721 120.146 2.575 1
1 172 . 16 1 1 A 21 21 ALA H H 21 7.714 7.654 0.060 1
1 173 . 16 1 1 A 21 21 ALA HA H 21 5.064 5.419 -0.355 1
1 177 . 16 1 1 A 21 21 ALA C C 21 175.915 174.880 1.035 1
1 178 . 16 1 1 A 21 21 ALA CA C 21 50.272 50.116 0.156 1
1 179 . 16 1 1 A 21 21 ALA CB C 21 22.367 23.822 -1.455 1
1 180 . 16 1 1 A 21 21 ALA N N 21 122.778 120.069 2.709 1
1 181 . 16 1 1 A 22 22 PHE H H 22 8.686 8.870 -0.184 1
1 182 . 16 1 1 A 22 22 PHE HA H 22 4.724 4.851 -0.127 1
1 190 . 16 1 1 A 22 22 PHE C C 22 175.341 175.620 -0.279 1
1 191 . 16 1 1 A 22 22 PHE CA C 22 57.367 56.571 0.796 1
1 192 . 16 1 1 A 22 22 PHE CB C 22 43.930 43.349 0.581 1
1 198 . 16 1 1 A 22 22 PHE N N 22 116.150 116.325 -0.175 1
1 199 . 16 1 1 A 23 23 ARG H H 23 9.607 8.899 0.708 1
1 200 . 16 1 1 A 23 23 ARG HA H 23 4.514 4.242 0.272 1
1 207 . 16 1 1 A 23 23 ARG C C 23 176.305 176.263 0.042 1
1 208 . 16 1 1 A 23 23 ARG CA C 23 58.710 58.359 0.351 1
1 209 . 16 1 1 A 23 23 ARG CB C 23 32.010 30.869 1.141 1
1 212 . 16 1 1 A 23 23 ARG N N 23 120.730 121.902 -1.172 1
1 213 . 16 1 1 A 24 24 THR H H 24 7.231 7.679 -0.448 1
1 214 . 16 1 1 A 24 24 THR HA H 24 4.787 4.292 0.495 1
1 219 . 16 1 1 A 24 24 THR C C 24 173.868 175.253 -1.385 1
1 220 . 16 1 1 A 24 24 THR CA C 24 58.268 59.220 -0.952 1
1 221 . 16 1 1 A 24 24 THR CB C 24 72.469 71.883 0.586 1
1 223 . 16 1 1 A 24 24 THR N N 24 103.056 111.736 -8.680 1
1 224 . 16 1 1 A 25 25 ARG H H 25 8.333 8.785 -0.452 1
1 225 . 16 1 1 A 25 25 ARG HA H 25 4.787 4.094 0.693 1
1 232 . 16 1 1 A 25 25 ARG C C 25 178.700 177.882 0.818 1
1 233 . 16 1 1 A 25 25 ARG CA C 25 58.670 59.968 -1.298 1
1 234 . 16 1 1 A 25 25 ARG CB C 25 29.210 30.470 -1.260 1
1 237 . 16 1 1 A 25 25 ARG N N 25 123.788 123.036 0.752 1
1 238 . 16 1 1 A 26 26 SER HA H 26 4.136 4.059 0.077 1
1 241 . 16 1 1 A 26 26 SER C C 26 176.659 177.103 -0.444 1
1 242 . 16 1 1 A 26 26 SER CA C 26 61.194 61.634 -0.440 1
1 243 . 16 1 1 A 26 26 SER CB C 26 62.241 63.062 -0.821 1
1 244 . 16 1 1 A 26 26 SER N N 26 116.000 113.791 2.209 1
1 245 . 16 1 1 A 27 27 ASN H H 27 7.748 7.815 -0.067 1
1 246 . 16 1 1 A 27 27 ASN HA H 27 4.390 4.445 -0.055 1
1 251 . 16 1 1 A 27 27 ASN C C 27 177.533 177.105 0.428 1
1 252 . 16 1 1 A 27 27 ASN CA C 27 55.425 56.286 -0.861 1
1 253 . 16 1 1 A 27 27 ASN CB C 27 38.124 39.705 -1.581 1
1 254 . 16 1 1 A 27 27 ASN N N 27 120.092 119.110 0.982 1
1 255 . 16 1 1 A 28 28 LEU H H 28 7.264 7.952 -0.688 1
1 256 . 16 1 1 A 28 28 LEU HA H 28 3.261 1.930 1.331 1
1 266 . 16 1 1 A 28 28 LEU C C 28 177.429 178.347 -0.918 1
1 267 . 16 1 1 A 28 28 LEU CA C 28 58.283 57.113 1.170 1
1 268 . 16 1 1 A 28 28 LEU CB C 28 40.483 41.638 -1.155 1
1 272 . 16 1 1 A 28 28 LEU N N 28 122.398 119.911 2.487 1
1 273 . 16 1 1 A 29 29 THR H H 29 8.649 8.274 0.375 1
1 274 . 16 1 1 A 29 29 THR HA H 29 3.970 3.817 0.153 1
1 279 . 16 1 1 A 29 29 THR C C 29 177.377 176.087 1.290 1
1 280 . 16 1 1 A 29 29 THR CA C 29 66.593 66.470 0.123 1
1 281 . 16 1 1 A 29 29 THR CB C 29 68.457 68.571 -0.114 1
1 283 . 16 1 1 A 29 29 THR N N 29 116.386 113.818 2.568 1
1 284 . 16 1 1 A 30 30 THR H H 30 8.106 7.881 0.225 1
1 285 . 16 1 1 A 30 30 THR HA H 30 3.910 3.979 -0.069 1
1 290 . 16 1 1 A 30 30 THR C C 30 176.144 176.495 -0.351 1
1 291 . 16 1 1 A 30 30 THR CA C 30 66.260 66.083 0.177 1
1 292 . 16 1 1 A 30 30 THR CB C 30 68.792 68.790 0.002 1
1 294 . 16 1 1 A 30 30 THR N N 30 117.533 116.233 1.300 1
1 295 . 16 1 1 A 31 31 HIS H H 31 7.341 7.706 -0.365 1
1 296 . 16 1 1 A 31 31 HIS HA H 31 4.205 4.265 -0.060 1
1 301 . 16 1 1 A 31 31 HIS C C 31 176.196 177.180 -0.984 1
1 302 . 16 1 1 A 31 31 HIS CA C 31 58.919 58.509 0.410 1
1 303 . 16 1 1 A 31 31 HIS CB C 31 28.268 30.024 -1.756 1
1 306 . 16 1 1 A 31 31 HIS N N 31 120.815 120.487 0.328 1
1 307 . 16 1 1 A 32 32 GLN H H 32 8.186 8.012 0.174 1
1 308 . 16 1 1 A 32 32 GLN HA H 32 3.562 3.955 -0.393 1
1 315 . 16 1 1 A 32 32 GLN C C 32 177.032 178.332 -1.300 1
1 316 . 16 1 1 A 32 32 GLN CA C 32 59.582 58.337 1.245 1
1 317 . 16 1 1 A 32 32 GLN CB C 32 28.457 28.703 -0.246 1
1 319 . 16 1 1 A 32 32 GLN N N 32 114.261 118.632 -4.371 1
1 321 . 16 1 1 A 33 33 VAL H H 33 6.965 7.549 -0.584 1
1 322 . 16 1 1 A 33 33 VAL HA H 33 3.868 3.640 0.228 1
1 330 . 16 1 1 A 33 33 VAL C C 33 178.168 178.039 0.129 1
1 331 . 16 1 1 A 33 33 VAL CA C 33 64.658 65.653 -0.995 1
1 332 . 16 1 1 A 33 33 VAL CB C 33 31.715 31.733 -0.018 1
1 335 . 16 1 1 A 33 33 VAL N N 33 117.665 120.071 -2.406 1
1 336 . 16 1 1 A 34 34 ILE H H 34 7.621 7.191 0.430 1
1 337 . 16 1 1 A 34 34 ILE HA H 34 3.941 3.779 0.162 1
1 347 . 16 1 1 A 34 34 ILE C C 34 177.076 176.666 0.410 1
1 348 . 16 1 1 A 34 34 ILE CA C 34 63.207 63.632 -0.425 1
1 349 . 16 1 1 A 34 34 ILE CB C 34 37.688 37.009 0.679 1
1 353 . 16 1 1 A 34 34 ILE N N 34 117.372 116.890 0.482 1
1 354 . 16 1 1 A 35 35 HIS H H 35 7.253 7.720 -0.467 1
1 355 . 16 1 1 A 35 35 HIS HA H 35 4.908 4.495 0.413 1
1 360 . 16 1 1 A 35 35 HIS C C 35 175.795 175.262 0.533 1
1 361 . 16 1 1 A 35 35 HIS CA C 35 54.926 57.140 -2.214 1
1 362 . 16 1 1 A 35 35 HIS CB C 35 28.529 30.412 -1.883 1
1 365 . 16 1 1 A 35 35 HIS N N 35 117.505 119.260 -1.755 1
1 366 . 16 1 1 A 36 36 THR H H 36 7.827 7.363 0.464 1
1 367 . 16 1 1 A 36 36 THR HA H 36 4.331 4.373 -0.042 1
1 372 . 16 1 1 A 36 36 THR C C 36 175.532 173.926 1.606 1
1 373 . 16 1 1 A 36 36 THR CA C 36 63.020 61.003 2.017 1
1 374 . 16 1 1 A 36 36 THR CB C 36 69.891 70.132 -0.241 1
1 376 . 16 1 1 A 36 36 THR N N 36 112.717 110.783 1.934 1
1 377 . 16 1 1 A 37 37 GLY H H 37 8.358 8.439 -0.081 1
1 378 . 16 1 1 A 37 37 GLY HA2 H 37 4.010 4.141 -0.131 1
1 379 . 16 1 1 A 37 37 GLY HA3 H 37 4.010 4.143 -0.133 1
1 380 . 16 1 1 A 37 37 GLY C C 37 174.222 173.080 1.142 1
1 381 . 16 1 1 A 37 37 GLY CA C 37 45.394 45.815 -0.421 1
1 382 . 16 1 1 A 37 37 GLY N N 37 110.814 109.687 1.127 1
1 383 . 16 1 1 A 38 38 GLU H H 38 8.119 8.342 -0.223 1
1 384 . 16 1 1 A 38 38 GLU HA H 38 4.233 4.692 -0.459 1
1 389 . 16 1 1 A 38 38 GLU C C 38 176.521 174.649 1.872 1
1 390 . 16 1 1 A 38 38 GLU CA C 38 56.698 55.315 1.383 1
1 391 . 16 1 1 A 38 38 GLU CB C 38 30.459 31.881 -1.422 1
1 393 . 16 1 1 A 38 38 GLU N N 38 120.653 122.773 -2.120 1
1 394 . 16 1 1 A 39 39 LYS H H 39 8.372 8.767 -0.395 1
1 395 . 16 1 1 A 39 39 LYS HA H 39 4.325 4.510 -0.185 1
1 404 . 16 1 1 A 39 39 LYS C C 39 176.520 175.944 0.576 1
1 405 . 16 1 1 A 39 39 LYS CA C 39 56.254 55.243 1.011 1
1 406 . 16 1 1 A 39 39 LYS CB C 39 32.719 32.402 0.317 1
1 410 . 16 1 1 A 39 39 LYS N N 39 122.536 126.080 -3.544 1
1 411 . 16 1 1 A 40 40 ARG H H 40 8.435 8.846 -0.411 1
1 412 . 16 1 1 A 40 40 ARG HA H 40 4.407 4.588 -0.181 1
1 419 . 16 1 1 A 40 40 ARG C C 40 176.290 178.274 -1.984 1
1 420 . 16 1 1 A 40 40 ARG CA C 40 56.011 57.469 -1.458 1
1 421 . 16 1 1 A 40 40 ARG CB C 40 30.978 32.811 -1.833 1
1 424 . 16 1 1 A 40 40 ARG N N 40 122.912 128.195 -5.283 1
1 425 . 16 1 1 A 41 41 SER H H 41 8.428 8.315 0.113 1
1 426 . 16 1 1 A 41 41 SER HA H 41 4.507 4.210 0.297 1
1 429 . 16 1 1 A 41 41 SER C C 41 174.450 176.221 -1.771 1
1 430 . 16 1 1 A 41 41 SER CA C 41 58.208 62.513 -4.305 1
1 431 . 16 1 1 A 41 41 SER CB C 41 64.046 62.729 1.317 1
1 432 . 16 1 1 A 41 41 SER N N 41 117.335 115.411 1.924 1
1 433 . 16 1 1 A 42 42 GLY H H 42 8.265 7.842 0.423 1
1 434 . 16 1 1 A 42 42 GLY HA2 H 42 4.149 4.060 0.089 1
1 435 . 16 1 1 A 42 42 GLY HA3 H 42 4.115 4.061 0.054 1
1 436 . 16 1 1 A 42 42 GLY C C 42 171.715 173.219 -1.504 1
1 437 . 16 1 1 A 42 42 GLY CA C 42 44.661 45.143 -0.482 1
1 438 . 16 1 1 A 42 42 GLY N N 42 110.713 108.646 2.067 1
1 439 . 16 1 1 A 43 43 PRO HA H 43 4.476 4.609 -0.133 1
1 446 . 16 1 1 A 43 43 PRO C C 43 177.405 175.555 1.850 1
1 447 . 16 1 1 A 43 43 PRO CA C 43 63.215 62.867 0.348 1
1 448 . 16 1 1 A 43 43 PRO CB C 43 32.224 32.622 -0.398 1
1 451 . 16 1 1 A 44 44 SER H H 44 8.543 8.655 -0.112 1
1 452 . 16 1 1 A 44 44 SER HA H 44 4.507 4.744 -0.237 1
1 455 . 16 1 1 A 44 44 SER C C 44 174.588 174.132 0.456 1
1 456 . 16 1 1 A 44 44 SER CA C 44 58.352 56.646 1.706 1
1 457 . 16 1 1 A 44 44 SER CB C 44 63.989 63.858 0.131 1
1 458 . 16 1 1 A 44 44 SER N N 44 116.402 118.105 -1.703 1
1 459 . 16 1 1 A 45 45 SER H H 45 8.318 8.501 -0.183 1
1 460 . 16 1 1 A 45 45 SER HA H 45 4.508 4.135 0.373 1
1 463 . 16 1 1 A 45 45 SER C C 45 173.887 174.150 -0.263 1
1 464 . 16 1 1 A 45 45 SER CA C 45 58.286 59.049 -0.763 1
1 465 . 16 1 1 A 45 45 SER CB C 45 64.037 60.970 3.067 1
1 466 . 16 1 1 A 45 45 SER N N 45 117.792 121.380 -3.588 1
1 1 . 17 1 1 A 7 7 GLY HA2 H 7 3.998 3.946 0.052 1
1 2 . 17 1 1 A 7 7 GLY HA3 H 7 3.998 3.950 0.048 1
1 3 . 17 1 1 A 7 7 GLY C C 7 174.369 174.732 -0.363 1
1 4 . 17 1 1 A 7 7 GLY CA C 7 45.413 46.549 -1.136 1
1 5 . 17 1 1 A 8 8 THR H H 8 8.058 8.288 -0.230 1
1 6 . 17 1 1 A 8 8 THR HA H 8 4.332 4.233 0.099 1
1 11 . 17 1 1 A 8 8 THR C C 8 174.812 174.105 0.707 1
1 12 . 17 1 1 A 8 8 THR CA C 8 61.812 63.436 -1.624 1
1 13 . 17 1 1 A 8 8 THR CB C 8 69.909 69.228 0.681 1
1 15 . 17 1 1 A 8 8 THR N N 8 113.853 114.390 -0.537 1
1 16 . 17 1 1 A 9 9 LYS H H 9 8.368 8.953 -0.585 1
1 17 . 17 1 1 A 9 9 LYS HA H 9 4.234 4.627 -0.393 1
1 26 . 17 1 1 A 9 9 LYS C C 9 176.726 176.307 0.419 1
1 27 . 17 1 1 A 9 9 LYS CA C 9 56.616 56.559 0.057 1
1 28 . 17 1 1 A 9 9 LYS CB C 9 32.666 35.186 -2.520 1
1 32 . 17 1 1 A 9 9 LYS N N 9 122.996 125.314 -2.318 1
1 33 . 17 1 1 A 10 10 GLU H H 10 8.247 8.020 0.227 1
1 34 . 17 1 1 A 10 10 GLU HA H 10 4.120 4.454 -0.334 1
1 39 . 17 1 1 A 10 10 GLU C C 10 176.223 176.248 -0.025 1
1 40 . 17 1 1 A 10 10 GLU CA C 10 57.320 56.037 1.283 1
1 41 . 17 1 1 A 10 10 GLU CB C 10 30.234 30.108 0.126 1
1 43 . 17 1 1 A 10 10 GLU N N 10 120.550 116.711 3.839 1
1 44 . 17 1 1 A 11 11 LYS H H 11 8.016 8.926 -0.910 1
1 45 . 17 1 1 A 11 11 LYS HA H 11 4.517 3.862 0.655 1
1 54 . 17 1 1 A 11 11 LYS C C 11 173.757 176.440 -2.683 1
1 55 . 17 1 1 A 11 11 LYS CA C 11 53.783 56.925 -3.142 1
1 56 . 17 1 1 A 11 11 LYS CB C 11 33.260 29.697 3.563 1
1 60 . 17 1 1 A 11 11 LYS N N 11 119.846 118.766 1.080 1
1 61 . 17 1 1 A 12 12 PRO HA H 12 4.272 4.610 -0.338 1
1 68 . 17 1 1 A 12 12 PRO C C 12 176.667 176.225 0.442 1
1 69 . 17 1 1 A 12 12 PRO CA C 12 63.412 65.298 -1.886 1
1 70 . 17 1 1 A 12 12 PRO CB C 12 32.362 31.850 0.512 1
1 73 . 17 1 1 A 13 13 TYR H H 13 7.801 7.585 0.216 1
1 74 . 17 1 1 A 13 13 TYR HA H 13 4.578 4.719 -0.141 1
1 81 . 17 1 1 A 13 13 TYR C C 13 174.321 175.036 -0.715 1
1 82 . 17 1 1 A 13 13 TYR CA C 13 57.814 58.389 -0.575 1
1 83 . 17 1 1 A 13 13 TYR CB C 13 38.437 39.110 -0.673 1
1 88 . 17 1 1 A 13 13 TYR N N 13 118.297 117.966 0.331 1
1 89 . 17 1 1 A 14 14 LYS H H 14 8.450 8.921 -0.471 1
1 90 . 17 1 1 A 14 14 LYS HA H 14 4.734 5.373 -0.639 1
1 99 . 17 1 1 A 14 14 LYS C C 14 174.596 175.599 -1.003 1
1 100 . 17 1 1 A 14 14 LYS CA C 14 55.254 54.344 0.910 1
1 101 . 17 1 1 A 14 14 LYS CB C 14 35.279 35.724 -0.445 1
1 105 . 17 1 1 A 14 14 LYS N N 14 125.533 125.070 0.463 1
1 106 . 17 1 1 A 15 15 CYS H H 15 9.186 9.201 -0.015 1
1 107 . 17 1 1 A 15 15 CYS HA H 15 4.563 4.417 0.146 1
1 110 . 17 1 1 A 15 15 CYS C C 15 176.896 175.818 1.078 1
1 111 . 17 1 1 A 15 15 CYS CA C 15 58.735 59.208 -0.473 1
1 112 . 17 1 1 A 15 15 CYS CB C 15 29.404 28.505 0.899 1
1 113 . 17 1 1 A 15 15 CYS N N 15 126.149 125.422 0.727 1
1 114 . 17 1 1 A 16 16 TYR H H 16 9.138 7.996 1.142 1
1 115 . 17 1 1 A 16 16 TYR HA H 16 4.325 4.348 -0.023 1
1 122 . 17 1 1 A 16 16 TYR C C 16 176.155 177.822 -1.667 1
1 123 . 17 1 1 A 16 16 TYR CA C 16 60.508 60.860 -0.352 1
1 124 . 17 1 1 A 16 16 TYR CB C 16 37.564 37.440 0.124 1
1 129 . 17 1 1 A 16 16 TYR N N 16 130.571 126.182 4.389 1
1 130 . 17 1 1 A 17 17 GLU H H 17 8.405 8.205 0.200 1
1 131 . 17 1 1 A 17 17 GLU HA H 17 4.138 4.062 0.076 1
1 136 . 17 1 1 A 17 17 GLU C C 17 177.140 177.825 -0.685 1
1 137 . 17 1 1 A 17 17 GLU CA C 17 58.636 58.804 -0.168 1
1 138 . 17 1 1 A 17 17 GLU CB C 17 29.210 29.585 -0.375 1
1 140 . 17 1 1 A 17 17 GLU N N 17 120.856 120.428 0.428 1
1 141 . 17 1 1 A 18 18 CYS H H 18 7.766 7.991 -0.225 1
1 142 . 17 1 1 A 18 18 CYS HA H 18 5.158 4.692 0.466 1
1 145 . 17 1 1 A 18 18 CYS C C 18 176.122 175.655 0.467 1
1 146 . 17 1 1 A 18 18 CYS CA C 18 58.203 59.344 -1.141 1
1 147 . 17 1 1 A 18 18 CYS CB C 18 32.419 30.211 2.208 1
1 148 . 17 1 1 A 18 18 CYS N N 18 113.779 114.789 -1.010 1
1 149 . 17 1 1 A 19 19 GLY H H 19 8.233 8.084 0.149 1
1 150 . 17 1 1 A 19 19 GLY HA2 H 19 3.693 4.093 -0.400 1
1 151 . 17 1 1 A 19 19 GLY HA3 H 19 4.262 4.115 0.147 1
1 152 . 17 1 1 A 19 19 GLY C C 19 173.845 174.771 -0.926 1
1 153 . 17 1 1 A 19 19 GLY CA C 19 46.274 45.046 1.228 1
1 154 . 17 1 1 A 19 19 GLY N N 19 113.979 110.084 3.895 1
1 155 . 17 1 1 A 20 20 LYS H H 20 7.886 7.413 0.473 1
1 156 . 17 1 1 A 20 20 LYS HA H 20 3.959 4.275 -0.316 1
1 165 . 17 1 1 A 20 20 LYS C C 20 173.244 175.107 -1.863 1
1 166 . 17 1 1 A 20 20 LYS CA C 20 58.013 56.038 1.975 1
1 167 . 17 1 1 A 20 20 LYS CB C 20 33.996 34.179 -0.183 1
1 171 . 17 1 1 A 20 20 LYS N N 20 122.721 120.147 2.574 1
1 172 . 17 1 1 A 21 21 ALA H H 21 7.714 7.748 -0.034 1
1 173 . 17 1 1 A 21 21 ALA HA H 21 5.064 5.595 -0.531 1
1 177 . 17 1 1 A 21 21 ALA C C 21 175.915 174.966 0.949 1
1 178 . 17 1 1 A 21 21 ALA CA C 21 50.272 50.157 0.115 1
1 179 . 17 1 1 A 21 21 ALA CB C 21 22.367 23.958 -1.591 1
1 180 . 17 1 1 A 21 21 ALA N N 21 122.778 120.000 2.778 1
1 181 . 17 1 1 A 22 22 PHE H H 22 8.686 8.903 -0.217 1
1 182 . 17 1 1 A 22 22 PHE HA H 22 4.724 4.803 -0.079 1
1 190 . 17 1 1 A 22 22 PHE C C 22 175.341 175.588 -0.247 1
1 191 . 17 1 1 A 22 22 PHE CA C 22 57.367 56.578 0.789 1
1 192 . 17 1 1 A 22 22 PHE CB C 22 43.930 43.225 0.705 1
1 198 . 17 1 1 A 22 22 PHE N N 22 116.150 116.229 -0.079 1
1 199 . 17 1 1 A 23 23 ARG H H 23 9.607 8.786 0.821 1
1 200 . 17 1 1 A 23 23 ARG HA H 23 4.514 4.150 0.364 1
1 207 . 17 1 1 A 23 23 ARG C C 23 176.305 176.345 -0.040 1
1 208 . 17 1 1 A 23 23 ARG CA C 23 58.710 59.111 -0.401 1
1 209 . 17 1 1 A 23 23 ARG CB C 23 32.010 30.746 1.264 1
1 212 . 17 1 1 A 23 23 ARG N N 23 120.730 122.640 -1.910 1
1 213 . 17 1 1 A 24 24 THR H H 24 7.231 7.731 -0.500 1
1 214 . 17 1 1 A 24 24 THR HA H 24 4.787 4.287 0.500 1
1 219 . 17 1 1 A 24 24 THR C C 24 173.868 175.106 -1.238 1
1 220 . 17 1 1 A 24 24 THR CA C 24 58.268 59.551 -1.283 1
1 221 . 17 1 1 A 24 24 THR CB C 24 72.469 71.186 1.283 1
1 223 . 17 1 1 A 24 24 THR N N 24 103.056 111.477 -8.421 1
1 224 . 17 1 1 A 25 25 ARG H H 25 8.333 8.747 -0.414 1
1 225 . 17 1 1 A 25 25 ARG HA H 25 4.787 4.040 0.747 1
1 232 . 17 1 1 A 25 25 ARG C C 25 178.700 177.824 0.876 1
1 233 . 17 1 1 A 25 25 ARG CA C 25 58.670 59.461 -0.791 1
1 234 . 17 1 1 A 25 25 ARG CB C 25 29.210 30.413 -1.203 1
1 237 . 17 1 1 A 25 25 ARG N N 25 123.788 122.982 0.806 1
1 238 . 17 1 1 A 26 26 SER HA H 26 4.136 4.055 0.081 1
1 241 . 17 1 1 A 26 26 SER C C 26 176.659 177.052 -0.393 1
1 242 . 17 1 1 A 26 26 SER CA C 26 61.194 61.664 -0.470 1
1 243 . 17 1 1 A 26 26 SER CB C 26 62.241 63.056 -0.815 1
1 244 . 17 1 1 A 26 26 SER N N 26 116.000 113.751 2.249 1
1 245 . 17 1 1 A 27 27 ASN H H 27 7.748 7.917 -0.169 1
1 246 . 17 1 1 A 27 27 ASN HA H 27 4.390 4.469 -0.079 1
1 251 . 17 1 1 A 27 27 ASN C C 27 177.533 177.175 0.358 1
1 252 . 17 1 1 A 27 27 ASN CA C 27 55.425 56.236 -0.811 1
1 253 . 17 1 1 A 27 27 ASN CB C 27 38.124 39.619 -1.495 1
1 254 . 17 1 1 A 27 27 ASN N N 27 120.092 119.135 0.957 1
1 255 . 17 1 1 A 28 28 LEU H H 28 7.264 8.032 -0.768 1
1 256 . 17 1 1 A 28 28 LEU HA H 28 3.261 1.909 1.352 1
1 266 . 17 1 1 A 28 28 LEU C C 28 177.429 178.330 -0.901 1
1 267 . 17 1 1 A 28 28 LEU CA C 28 58.283 57.084 1.199 1
1 268 . 17 1 1 A 28 28 LEU CB C 28 40.483 41.589 -1.106 1
1 272 . 17 1 1 A 28 28 LEU N N 28 122.398 119.744 2.654 1
1 273 . 17 1 1 A 29 29 THR H H 29 8.649 8.173 0.476 1
1 274 . 17 1 1 A 29 29 THR HA H 29 3.970 3.807 0.163 1
1 279 . 17 1 1 A 29 29 THR C C 29 177.377 176.283 1.094 1
1 280 . 17 1 1 A 29 29 THR CA C 29 66.593 66.412 0.181 1
1 281 . 17 1 1 A 29 29 THR CB C 29 68.457 68.346 0.111 1
1 283 . 17 1 1 A 29 29 THR N N 29 116.386 113.872 2.514 1
1 284 . 17 1 1 A 30 30 THR H H 30 8.106 7.881 0.225 1
1 285 . 17 1 1 A 30 30 THR HA H 30 3.910 3.978 -0.068 1
1 290 . 17 1 1 A 30 30 THR C C 30 176.144 176.415 -0.271 1
1 291 . 17 1 1 A 30 30 THR CA C 30 66.260 65.531 0.729 1
1 292 . 17 1 1 A 30 30 THR CB C 30 68.792 68.924 -0.132 1
1 294 . 17 1 1 A 30 30 THR N N 30 117.533 116.019 1.514 1
1 295 . 17 1 1 A 31 31 HIS H H 31 7.341 7.823 -0.482 1
1 296 . 17 1 1 A 31 31 HIS HA H 31 4.205 4.310 -0.105 1
1 301 . 17 1 1 A 31 31 HIS C C 31 176.196 177.216 -1.020 1
1 302 . 17 1 1 A 31 31 HIS CA C 31 58.919 58.671 0.248 1
1 303 . 17 1 1 A 31 31 HIS CB C 31 28.268 30.117 -1.849 1
1 306 . 17 1 1 A 31 31 HIS N N 31 120.815 120.209 0.606 1
1 307 . 17 1 1 A 32 32 GLN H H 32 8.186 8.029 0.157 1
1 308 . 17 1 1 A 32 32 GLN HA H 32 3.562 3.933 -0.371 1
1 315 . 17 1 1 A 32 32 GLN C C 32 177.032 178.416 -1.384 1
1 316 . 17 1 1 A 32 32 GLN CA C 32 59.582 58.376 1.206 1
1 317 . 17 1 1 A 32 32 GLN CB C 32 28.457 28.640 -0.183 1
1 319 . 17 1 1 A 32 32 GLN N N 32 114.261 118.641 -4.380 1
1 321 . 17 1 1 A 33 33 VAL H H 33 6.965 7.545 -0.580 1
1 322 . 17 1 1 A 33 33 VAL HA H 33 3.868 3.938 -0.070 1
1 330 . 17 1 1 A 33 33 VAL C C 33 178.168 178.214 -0.046 1
1 331 . 17 1 1 A 33 33 VAL CA C 33 64.658 65.681 -1.023 1
1 332 . 17 1 1 A 33 33 VAL CB C 33 31.715 31.695 0.020 1
1 335 . 17 1 1 A 33 33 VAL N N 33 117.665 119.914 -2.249 1
1 336 . 17 1 1 A 34 34 ILE H H 34 7.621 7.315 0.306 1
1 337 . 17 1 1 A 34 34 ILE HA H 34 3.941 3.722 0.219 1
1 347 . 17 1 1 A 34 34 ILE C C 34 177.076 176.691 0.385 1
1 348 . 17 1 1 A 34 34 ILE CA C 34 63.207 63.923 -0.716 1
1 349 . 17 1 1 A 34 34 ILE CB C 34 37.688 37.055 0.633 1
1 353 . 17 1 1 A 34 34 ILE N N 34 117.372 116.715 0.657 1
1 354 . 17 1 1 A 35 35 HIS H H 35 7.253 7.555 -0.302 1
1 355 . 17 1 1 A 35 35 HIS HA H 35 4.908 4.486 0.422 1
1 360 . 17 1 1 A 35 35 HIS C C 35 175.795 175.601 0.194 1
1 361 . 17 1 1 A 35 35 HIS CA C 35 54.926 57.716 -2.790 1
1 362 . 17 1 1 A 35 35 HIS CB C 35 28.529 30.478 -1.949 1
1 365 . 17 1 1 A 35 35 HIS N N 35 117.505 119.213 -1.708 1
1 366 . 17 1 1 A 36 36 THR H H 36 7.827 7.614 0.213 1
1 367 . 17 1 1 A 36 36 THR HA H 36 4.331 4.360 -0.029 1
1 372 . 17 1 1 A 36 36 THR C C 36 175.532 173.978 1.554 1
1 373 . 17 1 1 A 36 36 THR CA C 36 63.020 60.996 2.024 1
1 374 . 17 1 1 A 36 36 THR CB C 36 69.891 68.227 1.664 1
1 376 . 17 1 1 A 36 36 THR N N 36 112.717 107.838 4.879 1
1 377 . 17 1 1 A 37 37 GLY H H 37 8.358 8.488 -0.130 1
1 378 . 17 1 1 A 37 37 GLY HA2 H 37 4.010 4.273 -0.263 1
1 379 . 17 1 1 A 37 37 GLY HA3 H 37 4.010 4.276 -0.266 1
1 380 . 17 1 1 A 37 37 GLY C C 37 174.222 172.241 1.981 1
1 381 . 17 1 1 A 37 37 GLY CA C 37 45.394 44.471 0.923 1
1 382 . 17 1 1 A 37 37 GLY N N 37 110.814 111.982 -1.168 1
1 383 . 17 1 1 A 38 38 GLU H H 38 8.119 9.024 -0.905 1
1 384 . 17 1 1 A 38 38 GLU HA H 38 4.233 5.243 -1.010 1
1 389 . 17 1 1 A 38 38 GLU C C 38 176.521 174.899 1.622 1
1 390 . 17 1 1 A 38 38 GLU CA C 38 56.698 55.333 1.365 1
1 391 . 17 1 1 A 38 38 GLU CB C 38 30.459 33.173 -2.714 1
1 393 . 17 1 1 A 38 38 GLU N N 38 120.653 123.182 -2.529 1
1 394 . 17 1 1 A 39 39 LYS H H 39 8.372 8.918 -0.546 1
1 395 . 17 1 1 A 39 39 LYS HA H 39 4.325 4.961 -0.636 1
1 404 . 17 1 1 A 39 39 LYS C C 39 176.520 175.554 0.966 1
1 405 . 17 1 1 A 39 39 LYS CA C 39 56.254 54.487 1.767 1
1 406 . 17 1 1 A 39 39 LYS CB C 39 32.719 36.136 -3.417 1
1 410 . 17 1 1 A 39 39 LYS N N 39 122.536 124.802 -2.266 1
1 411 . 17 1 1 A 40 40 ARG H H 40 8.435 8.399 0.036 1
1 412 . 17 1 1 A 40 40 ARG HA H 40 4.407 4.115 0.292 1
1 419 . 17 1 1 A 40 40 ARG C C 40 176.290 176.325 -0.035 1
1 420 . 17 1 1 A 40 40 ARG CA C 40 56.011 57.194 -1.183 1
1 421 . 17 1 1 A 40 40 ARG CB C 40 30.978 30.207 0.771 1
1 424 . 17 1 1 A 40 40 ARG N N 40 122.912 122.202 0.710 1
1 425 . 17 1 1 A 41 41 SER H H 41 8.428 8.666 -0.238 1
1 426 . 17 1 1 A 41 41 SER HA H 41 4.507 5.278 -0.771 1
1 429 . 17 1 1 A 41 41 SER C C 41 174.450 173.297 1.153 1
1 430 . 17 1 1 A 41 41 SER CA C 41 58.208 57.018 1.190 1
1 431 . 17 1 1 A 41 41 SER CB C 41 64.046 66.103 -2.057 1
1 432 . 17 1 1 A 41 41 SER N N 41 117.335 118.013 -0.678 1
1 433 . 17 1 1 A 42 42 GLY H H 42 8.265 8.633 -0.368 1
1 434 . 17 1 1 A 42 42 GLY HA2 H 42 4.149 4.336 -0.187 1
1 435 . 17 1 1 A 42 42 GLY HA3 H 42 4.115 4.336 -0.221 1
1 436 . 17 1 1 A 42 42 GLY C C 42 171.715 171.693 0.022 1
1 437 . 17 1 1 A 42 42 GLY CA C 42 44.661 44.981 -0.320 1
1 438 . 17 1 1 A 42 42 GLY N N 42 110.713 110.807 -0.094 1
1 439 . 17 1 1 A 43 43 PRO HA H 43 4.476 4.707 -0.231 1
1 446 . 17 1 1 A 43 43 PRO C C 43 177.405 175.952 1.453 1
1 447 . 17 1 1 A 43 43 PRO CA C 43 63.215 62.403 0.812 1
1 448 . 17 1 1 A 43 43 PRO CB C 43 32.224 29.938 2.286 1
1 451 . 17 1 1 A 44 44 SER H H 44 8.543 8.286 0.257 1
1 452 . 17 1 1 A 44 44 SER HA H 44 4.507 4.993 -0.486 1
1 455 . 17 1 1 A 44 44 SER C C 44 174.588 173.666 0.922 1
1 456 . 17 1 1 A 44 44 SER CA C 44 58.352 57.192 1.160 1
1 457 . 17 1 1 A 44 44 SER CB C 44 63.989 66.702 -2.713 1
1 458 . 17 1 1 A 44 44 SER N N 44 116.402 119.366 -2.964 1
1 459 . 17 1 1 A 45 45 SER H H 45 8.318 8.725 -0.407 1
1 460 . 17 1 1 A 45 45 SER HA H 45 4.508 4.652 -0.144 1
1 463 . 17 1 1 A 45 45 SER C C 45 173.887 175.563 -1.676 1
1 464 . 17 1 1 A 45 45 SER CA C 45 58.286 59.791 -1.505 1
1 465 . 17 1 1 A 45 45 SER CB C 45 64.037 64.412 -0.375 1
1 466 . 17 1 1 A 45 45 SER N N 45 117.792 117.251 0.541 1
1 1 . 18 1 1 A 7 7 GLY HA2 H 7 3.998 4.256 -0.258 1
1 2 . 18 1 1 A 7 7 GLY HA3 H 7 3.998 4.258 -0.260 1
1 3 . 18 1 1 A 7 7 GLY C C 7 174.369 172.811 1.558 1
1 4 . 18 1 1 A 7 7 GLY CA C 7 45.413 45.414 -0.001 1
1 5 . 18 1 1 A 8 8 THR H H 8 8.058 8.685 -0.627 1
1 6 . 18 1 1 A 8 8 THR HA H 8 4.332 5.111 -0.779 1
1 11 . 18 1 1 A 8 8 THR C C 8 174.812 173.299 1.513 1
1 12 . 18 1 1 A 8 8 THR CA C 8 61.812 60.441 1.371 1
1 13 . 18 1 1 A 8 8 THR CB C 8 69.909 71.249 -1.340 1
1 15 . 18 1 1 A 8 8 THR N N 8 113.853 113.860 -0.007 1
1 16 . 18 1 1 A 9 9 LYS H H 9 8.368 8.655 -0.287 1
1 17 . 18 1 1 A 9 9 LYS HA H 9 4.234 4.245 -0.011 1
1 26 . 18 1 1 A 9 9 LYS C C 9 176.726 175.491 1.235 1
1 27 . 18 1 1 A 9 9 LYS CA C 9 56.616 57.623 -1.007 1
1 28 . 18 1 1 A 9 9 LYS CB C 9 32.666 32.890 -0.224 1
1 32 . 18 1 1 A 9 9 LYS N N 9 122.996 126.750 -3.754 1
1 33 . 18 1 1 A 10 10 GLU H H 10 8.247 8.593 -0.346 1
1 34 . 18 1 1 A 10 10 GLU HA H 10 4.120 4.680 -0.560 1
1 39 . 18 1 1 A 10 10 GLU C C 10 176.223 174.921 1.302 1
1 40 . 18 1 1 A 10 10 GLU CA C 10 57.320 55.563 1.757 1
1 41 . 18 1 1 A 10 10 GLU CB C 10 30.234 31.988 -1.754 1
1 43 . 18 1 1 A 10 10 GLU N N 10 120.550 124.030 -3.480 1
1 44 . 18 1 1 A 11 11 LYS H H 11 8.016 8.825 -0.809 1
1 45 . 18 1 1 A 11 11 LYS HA H 11 4.517 3.812 0.705 1
1 54 . 18 1 1 A 11 11 LYS C C 11 173.757 176.823 -3.066 1
1 55 . 18 1 1 A 11 11 LYS CA C 11 53.783 56.859 -3.076 1
1 56 . 18 1 1 A 11 11 LYS CB C 11 33.260 30.447 2.813 1
1 60 . 18 1 1 A 11 11 LYS N N 11 119.846 119.037 0.809 1
1 61 . 18 1 1 A 12 12 PRO HA H 12 4.272 4.547 -0.275 1
1 68 . 18 1 1 A 12 12 PRO C C 12 176.667 176.234 0.433 1
1 69 . 18 1 1 A 12 12 PRO CA C 12 63.412 65.349 -1.937 1
1 70 . 18 1 1 A 12 12 PRO CB C 12 32.362 31.921 0.441 1
1 73 . 18 1 1 A 13 13 TYR H H 13 7.801 7.607 0.194 1
1 74 . 18 1 1 A 13 13 TYR HA H 13 4.578 4.645 -0.067 1
1 81 . 18 1 1 A 13 13 TYR C C 13 174.321 174.953 -0.632 1
1 82 . 18 1 1 A 13 13 TYR CA C 13 57.814 58.652 -0.838 1
1 83 . 18 1 1 A 13 13 TYR CB C 13 38.437 38.618 -0.181 1
1 88 . 18 1 1 A 13 13 TYR N N 13 118.297 118.127 0.170 1
1 89 . 18 1 1 A 14 14 LYS H H 14 8.450 8.905 -0.455 1
1 90 . 18 1 1 A 14 14 LYS HA H 14 4.734 5.361 -0.627 1
1 99 . 18 1 1 A 14 14 LYS C C 14 174.596 175.593 -0.997 1
1 100 . 18 1 1 A 14 14 LYS CA C 14 55.254 54.408 0.846 1
1 101 . 18 1 1 A 14 14 LYS CB C 14 35.279 35.711 -0.432 1
1 105 . 18 1 1 A 14 14 LYS N N 14 125.533 125.225 0.308 1
1 106 . 18 1 1 A 15 15 CYS H H 15 9.186 9.247 -0.061 1
1 107 . 18 1 1 A 15 15 CYS HA H 15 4.563 4.422 0.141 1
1 110 . 18 1 1 A 15 15 CYS C C 15 176.896 175.507 1.389 1
1 111 . 18 1 1 A 15 15 CYS CA C 15 58.735 58.967 -0.232 1
1 112 . 18 1 1 A 15 15 CYS CB C 15 29.404 28.057 1.347 1
1 113 . 18 1 1 A 15 15 CYS N N 15 126.149 125.315 0.834 1
1 114 . 18 1 1 A 16 16 TYR H H 16 9.138 7.897 1.241 1
1 115 . 18 1 1 A 16 16 TYR HA H 16 4.325 4.321 0.004 1
1 122 . 18 1 1 A 16 16 TYR C C 16 176.155 177.846 -1.691 1
1 123 . 18 1 1 A 16 16 TYR CA C 16 60.508 60.939 -0.431 1
1 124 . 18 1 1 A 16 16 TYR CB C 16 37.564 37.634 -0.070 1
1 129 . 18 1 1 A 16 16 TYR N N 16 130.571 126.106 4.465 1
1 130 . 18 1 1 A 17 17 GLU H H 17 8.405 8.402 0.003 1
1 131 . 18 1 1 A 17 17 GLU HA H 17 4.138 4.075 0.063 1
1 136 . 18 1 1 A 17 17 GLU C C 17 177.140 177.863 -0.723 1
1 137 . 18 1 1 A 17 17 GLU CA C 17 58.636 58.767 -0.131 1
1 138 . 18 1 1 A 17 17 GLU CB C 17 29.210 29.472 -0.262 1
1 140 . 18 1 1 A 17 17 GLU N N 17 120.856 120.574 0.282 1
1 141 . 18 1 1 A 18 18 CYS H H 18 7.766 7.911 -0.145 1
1 142 . 18 1 1 A 18 18 CYS HA H 18 5.158 4.698 0.460 1
1 145 . 18 1 1 A 18 18 CYS C C 18 176.122 175.652 0.470 1
1 146 . 18 1 1 A 18 18 CYS CA C 18 58.203 59.441 -1.238 1
1 147 . 18 1 1 A 18 18 CYS CB C 18 32.419 30.064 2.355 1
1 148 . 18 1 1 A 18 18 CYS N N 18 113.779 114.926 -1.147 1
1 149 . 18 1 1 A 19 19 GLY H H 19 8.233 8.063 0.170 1
1 150 . 18 1 1 A 19 19 GLY HA2 H 19 3.693 4.106 -0.413 1
1 151 . 18 1 1 A 19 19 GLY HA3 H 19 4.262 4.125 0.137 1
1 152 . 18 1 1 A 19 19 GLY C C 19 173.845 174.502 -0.657 1
1 153 . 18 1 1 A 19 19 GLY CA C 19 46.274 44.899 1.375 1
1 154 . 18 1 1 A 19 19 GLY N N 19 113.979 109.853 4.126 1
1 155 . 18 1 1 A 20 20 LYS H H 20 7.886 7.426 0.460 1
1 156 . 18 1 1 A 20 20 LYS HA H 20 3.959 4.238 -0.279 1
1 165 . 18 1 1 A 20 20 LYS C C 20 173.244 175.133 -1.889 1
1 166 . 18 1 1 A 20 20 LYS CA C 20 58.013 56.194 1.819 1
1 167 . 18 1 1 A 20 20 LYS CB C 20 33.996 34.083 -0.087 1
1 171 . 18 1 1 A 20 20 LYS N N 20 122.721 120.229 2.492 1
1 172 . 18 1 1 A 21 21 ALA H H 21 7.714 7.738 -0.024 1
1 173 . 18 1 1 A 21 21 ALA HA H 21 5.064 5.549 -0.485 1
1 177 . 18 1 1 A 21 21 ALA C C 21 175.915 174.947 0.968 1
1 178 . 18 1 1 A 21 21 ALA CA C 21 50.272 50.067 0.205 1
1 179 . 18 1 1 A 21 21 ALA CB C 21 22.367 23.917 -1.550 1
1 180 . 18 1 1 A 21 21 ALA N N 21 122.778 119.923 2.855 1
1 181 . 18 1 1 A 22 22 PHE H H 22 8.686 8.762 -0.076 1
1 182 . 18 1 1 A 22 22 PHE HA H 22 4.724 4.843 -0.119 1
1 190 . 18 1 1 A 22 22 PHE C C 22 175.341 175.622 -0.281 1
1 191 . 18 1 1 A 22 22 PHE CA C 22 57.367 56.425 0.942 1
1 192 . 18 1 1 A 22 22 PHE CB C 22 43.930 43.296 0.634 1
1 198 . 18 1 1 A 22 22 PHE N N 22 116.150 116.275 -0.125 1
1 199 . 18 1 1 A 23 23 ARG H H 23 9.607 8.876 0.731 1
1 200 . 18 1 1 A 23 23 ARG HA H 23 4.514 4.195 0.319 1
1 207 . 18 1 1 A 23 23 ARG C C 23 176.305 176.321 -0.016 1
1 208 . 18 1 1 A 23 23 ARG CA C 23 58.710 58.601 0.109 1
1 209 . 18 1 1 A 23 23 ARG CB C 23 32.010 30.876 1.134 1
1 212 . 18 1 1 A 23 23 ARG N N 23 120.730 122.320 -1.590 1
1 213 . 18 1 1 A 24 24 THR H H 24 7.231 7.666 -0.435 1
1 214 . 18 1 1 A 24 24 THR HA H 24 4.787 4.234 0.553 1
1 219 . 18 1 1 A 24 24 THR C C 24 173.868 174.830 -0.962 1
1 220 . 18 1 1 A 24 24 THR CA C 24 58.268 59.144 -0.876 1
1 221 . 18 1 1 A 24 24 THR CB C 24 72.469 71.625 0.844 1
1 223 . 18 1 1 A 24 24 THR N N 24 103.056 111.343 -8.287 1
1 224 . 18 1 1 A 25 25 ARG H H 25 8.333 8.677 -0.344 1
1 225 . 18 1 1 A 25 25 ARG HA H 25 4.787 4.070 0.717 1
1 232 . 18 1 1 A 25 25 ARG C C 25 178.700 177.745 0.955 1
1 233 . 18 1 1 A 25 25 ARG CA C 25 58.670 59.777 -1.107 1
1 234 . 18 1 1 A 25 25 ARG CB C 25 29.210 30.317 -1.107 1
1 237 . 18 1 1 A 25 25 ARG N N 25 123.788 122.974 0.814 1
1 238 . 18 1 1 A 26 26 SER HA H 26 4.136 4.052 0.084 1
1 241 . 18 1 1 A 26 26 SER C C 26 176.659 177.094 -0.435 1
1 242 . 18 1 1 A 26 26 SER CA C 26 61.194 61.621 -0.427 1
1 243 . 18 1 1 A 26 26 SER CB C 26 62.241 62.925 -0.684 1
1 244 . 18 1 1 A 26 26 SER N N 26 116.000 113.746 2.254 1
1 245 . 18 1 1 A 27 27 ASN H H 27 7.748 7.845 -0.097 1
1 246 . 18 1 1 A 27 27 ASN HA H 27 4.390 4.441 -0.051 1
1 251 . 18 1 1 A 27 27 ASN C C 27 177.533 177.048 0.485 1
1 252 . 18 1 1 A 27 27 ASN CA C 27 55.425 56.165 -0.740 1
1 253 . 18 1 1 A 27 27 ASN CB C 27 38.124 39.856 -1.732 1
1 254 . 18 1 1 A 27 27 ASN N N 27 120.092 119.094 0.998 1
1 255 . 18 1 1 A 28 28 LEU H H 28 7.264 7.886 -0.622 1
1 256 . 18 1 1 A 28 28 LEU HA H 28 3.261 1.715 1.546 1
1 266 . 18 1 1 A 28 28 LEU C C 28 177.429 178.331 -0.902 1
1 267 . 18 1 1 A 28 28 LEU CA C 28 58.283 57.133 1.150 1
1 268 . 18 1 1 A 28 28 LEU CB C 28 40.483 41.556 -1.073 1
1 272 . 18 1 1 A 28 28 LEU N N 28 122.398 119.914 2.484 1
1 273 . 18 1 1 A 29 29 THR H H 29 8.649 8.146 0.503 1
1 274 . 18 1 1 A 29 29 THR HA H 29 3.970 3.822 0.148 1
1 279 . 18 1 1 A 29 29 THR C C 29 177.377 176.141 1.236 1
1 280 . 18 1 1 A 29 29 THR CA C 29 66.593 66.420 0.173 1
1 281 . 18 1 1 A 29 29 THR CB C 29 68.457 68.747 -0.290 1
1 283 . 18 1 1 A 29 29 THR N N 29 116.386 113.814 2.572 1
1 284 . 18 1 1 A 30 30 THR H H 30 8.106 7.890 0.216 1
1 285 . 18 1 1 A 30 30 THR HA H 30 3.910 4.015 -0.105 1
1 290 . 18 1 1 A 30 30 THR C C 30 176.144 176.449 -0.305 1
1 291 . 18 1 1 A 30 30 THR CA C 30 66.260 66.062 0.198 1
1 292 . 18 1 1 A 30 30 THR CB C 30 68.792 68.787 0.005 1
1 294 . 18 1 1 A 30 30 THR N N 30 117.533 116.193 1.340 1
1 295 . 18 1 1 A 31 31 HIS H H 31 7.341 7.556 -0.215 1
1 296 . 18 1 1 A 31 31 HIS HA H 31 4.205 4.255 -0.050 1
1 301 . 18 1 1 A 31 31 HIS C C 31 176.196 177.191 -0.995 1
1 302 . 18 1 1 A 31 31 HIS CA C 31 58.919 58.508 0.411 1
1 303 . 18 1 1 A 31 31 HIS CB C 31 28.268 30.105 -1.837 1
1 306 . 18 1 1 A 31 31 HIS N N 31 120.815 120.480 0.335 1
1 307 . 18 1 1 A 32 32 GLN H H 32 8.186 8.096 0.090 1
1 308 . 18 1 1 A 32 32 GLN HA H 32 3.562 3.977 -0.415 1
1 315 . 18 1 1 A 32 32 GLN C C 32 177.032 178.343 -1.311 1
1 316 . 18 1 1 A 32 32 GLN CA C 32 59.582 58.194 1.388 1
1 317 . 18 1 1 A 32 32 GLN CB C 32 28.457 28.525 -0.068 1
1 319 . 18 1 1 A 32 32 GLN N N 32 114.261 118.621 -4.360 1
1 321 . 18 1 1 A 33 33 VAL H H 33 6.965 7.488 -0.523 1
1 322 . 18 1 1 A 33 33 VAL HA H 33 3.868 3.839 0.029 1
1 330 . 18 1 1 A 33 33 VAL C C 33 178.168 178.210 -0.042 1
1 331 . 18 1 1 A 33 33 VAL CA C 33 64.658 65.712 -1.054 1
1 332 . 18 1 1 A 33 33 VAL CB C 33 31.715 31.698 0.017 1
1 335 . 18 1 1 A 33 33 VAL N N 33 117.665 120.307 -2.642 1
1 336 . 18 1 1 A 34 34 ILE H H 34 7.621 7.226 0.395 1
1 337 . 18 1 1 A 34 34 ILE HA H 34 3.941 3.727 0.214 1
1 347 . 18 1 1 A 34 34 ILE C C 34 177.076 176.691 0.385 1
1 348 . 18 1 1 A 34 34 ILE CA C 34 63.207 64.003 -0.796 1
1 349 . 18 1 1 A 34 34 ILE CB C 34 37.688 37.035 0.653 1
1 353 . 18 1 1 A 34 34 ILE N N 34 117.372 116.654 0.718 1
1 354 . 18 1 1 A 35 35 HIS H H 35 7.253 7.660 -0.407 1
1 355 . 18 1 1 A 35 35 HIS HA H 35 4.908 4.502 0.406 1
1 360 . 18 1 1 A 35 35 HIS C C 35 175.795 175.116 0.679 1
1 361 . 18 1 1 A 35 35 HIS CA C 35 54.926 57.089 -2.163 1
1 362 . 18 1 1 A 35 35 HIS CB C 35 28.529 30.276 -1.747 1
1 365 . 18 1 1 A 35 35 HIS N N 35 117.505 119.259 -1.754 1
1 366 . 18 1 1 A 36 36 THR H H 36 7.827 7.521 0.306 1
1 367 . 18 1 1 A 36 36 THR HA H 36 4.331 4.459 -0.128 1
1 372 . 18 1 1 A 36 36 THR C C 36 175.532 175.582 -0.050 1
1 373 . 18 1 1 A 36 36 THR CA C 36 63.020 60.301 2.719 1
1 374 . 18 1 1 A 36 36 THR CB C 36 69.891 70.806 -0.915 1
1 376 . 18 1 1 A 36 36 THR N N 36 112.717 109.695 3.022 1
1 377 . 18 1 1 A 37 37 GLY H H 37 8.358 8.714 -0.356 1
1 378 . 18 1 1 A 37 37 GLY HA2 H 37 4.010 3.837 0.173 1
1 379 . 18 1 1 A 37 37 GLY HA3 H 37 4.010 3.839 0.171 1
1 380 . 18 1 1 A 37 37 GLY C C 37 174.222 174.753 -0.531 1
1 381 . 18 1 1 A 37 37 GLY CA C 37 45.394 46.797 -1.403 1
1 382 . 18 1 1 A 37 37 GLY N N 37 110.814 109.570 1.244 1
1 383 . 18 1 1 A 38 38 GLU H H 38 8.119 8.043 0.076 1
1 384 . 18 1 1 A 38 38 GLU HA H 38 4.233 4.246 -0.013 1
1 389 . 18 1 1 A 38 38 GLU C C 38 176.521 175.362 1.159 1
1 390 . 18 1 1 A 38 38 GLU CA C 38 56.698 57.196 -0.498 1
1 391 . 18 1 1 A 38 38 GLU CB C 38 30.459 30.562 -0.103 1
1 393 . 18 1 1 A 38 38 GLU N N 38 120.653 122.740 -2.087 1
1 394 . 18 1 1 A 39 39 LYS H H 39 8.372 8.318 0.054 1
1 395 . 18 1 1 A 39 39 LYS HA H 39 4.325 4.849 -0.524 1
1 404 . 18 1 1 A 39 39 LYS C C 39 176.520 176.412 0.108 1
1 405 . 18 1 1 A 39 39 LYS CA C 39 56.254 54.611 1.643 1
1 406 . 18 1 1 A 39 39 LYS CB C 39 32.719 35.119 -2.400 1
1 410 . 18 1 1 A 39 39 LYS N N 39 122.536 126.636 -4.100 1
1 411 . 18 1 1 A 40 40 ARG H H 40 8.435 8.924 -0.489 1
1 412 . 18 1 1 A 40 40 ARG HA H 40 4.407 4.081 0.326 1
1 419 . 18 1 1 A 40 40 ARG C C 40 176.290 175.614 0.676 1
1 420 . 18 1 1 A 40 40 ARG CA C 40 56.011 58.764 -2.753 1
1 421 . 18 1 1 A 40 40 ARG CB C 40 30.978 30.933 0.045 1
1 424 . 18 1 1 A 40 40 ARG N N 40 122.912 128.381 -5.469 1
1 425 . 18 1 1 A 41 41 SER H H 41 8.428 8.082 0.346 1
1 426 . 18 1 1 A 41 41 SER HA H 41 4.507 4.933 -0.426 1
1 429 . 18 1 1 A 41 41 SER C C 41 174.450 172.973 1.477 1
1 430 . 18 1 1 A 41 41 SER CA C 41 58.208 56.501 1.707 1
1 431 . 18 1 1 A 41 41 SER CB C 41 64.046 65.737 -1.691 1
1 432 . 18 1 1 A 41 41 SER N N 41 117.335 113.892 3.443 1
1 433 . 18 1 1 A 42 42 GLY H H 42 8.265 8.303 -0.038 1
1 434 . 18 1 1 A 42 42 GLY HA2 H 42 4.149 4.202 -0.053 1
1 435 . 18 1 1 A 42 42 GLY HA3 H 42 4.115 4.204 -0.089 1
1 436 . 18 1 1 A 42 42 GLY C C 42 171.715 173.896 -2.181 1
1 437 . 18 1 1 A 42 42 GLY CA C 42 44.661 45.975 -1.314 1
1 438 . 18 1 1 A 42 42 GLY N N 42 110.713 112.548 -1.835 1
1 439 . 18 1 1 A 43 43 PRO HA H 43 4.476 4.360 0.116 1
1 446 . 18 1 1 A 43 43 PRO C C 43 177.405 176.609 0.796 1
1 447 . 18 1 1 A 43 43 PRO CA C 43 63.215 64.997 -1.782 1
1 448 . 18 1 1 A 43 43 PRO CB C 43 32.224 32.001 0.223 1
1 451 . 18 1 1 A 44 44 SER H H 44 8.543 7.985 0.558 1
1 452 . 18 1 1 A 44 44 SER HA H 44 4.507 4.519 -0.012 1
1 455 . 18 1 1 A 44 44 SER C C 44 174.588 173.422 1.166 1
1 456 . 18 1 1 A 44 44 SER CA C 44 58.352 57.114 1.238 1
1 457 . 18 1 1 A 44 44 SER CB C 44 63.989 64.897 -0.908 1
1 458 . 18 1 1 A 44 44 SER N N 44 116.402 113.861 2.541 1
1 459 . 18 1 1 A 45 45 SER H H 45 8.318 8.961 -0.643 1
1 460 . 18 1 1 A 45 45 SER HA H 45 4.508 4.496 0.012 1
1 463 . 18 1 1 A 45 45 SER C C 45 173.887 174.886 -0.999 1
1 464 . 18 1 1 A 45 45 SER CA C 45 58.286 59.235 -0.949 1
1 465 . 18 1 1 A 45 45 SER CB C 45 64.037 64.989 -0.952 1
1 466 . 18 1 1 A 45 45 SER N N 45 117.792 119.618 -1.826 1
1 1 . 19 1 1 A 7 7 GLY HA2 H 7 3.998 4.012 -0.014 1
1 2 . 19 1 1 A 7 7 GLY HA3 H 7 3.998 4.016 -0.018 1
1 3 . 19 1 1 A 7 7 GLY C C 7 174.369 174.740 -0.371 1
1 4 . 19 1 1 A 7 7 GLY CA C 7 45.413 46.803 -1.390 1
1 5 . 19 1 1 A 8 8 THR H H 8 8.058 7.727 0.331 1
1 6 . 19 1 1 A 8 8 THR HA H 8 4.332 4.465 -0.133 1
1 11 . 19 1 1 A 8 8 THR C C 8 174.812 173.829 0.983 1
1 12 . 19 1 1 A 8 8 THR CA C 8 61.812 62.092 -0.280 1
1 13 . 19 1 1 A 8 8 THR CB C 8 69.909 70.156 -0.247 1
1 15 . 19 1 1 A 8 8 THR N N 8 113.853 111.487 2.366 1
1 16 . 19 1 1 A 9 9 LYS H H 9 8.368 8.505 -0.137 1
1 17 . 19 1 1 A 9 9 LYS HA H 9 4.234 4.787 -0.553 1
1 26 . 19 1 1 A 9 9 LYS C C 9 176.726 174.995 1.731 1
1 27 . 19 1 1 A 9 9 LYS CA C 9 56.616 55.039 1.577 1
1 28 . 19 1 1 A 9 9 LYS CB C 9 32.666 36.279 -3.613 1
1 32 . 19 1 1 A 9 9 LYS N N 9 122.996 124.411 -1.415 1
1 33 . 19 1 1 A 10 10 GLU H H 10 8.247 8.639 -0.392 1
1 34 . 19 1 1 A 10 10 GLU HA H 10 4.120 4.412 -0.292 1
1 39 . 19 1 1 A 10 10 GLU C C 10 176.223 176.032 0.191 1
1 40 . 19 1 1 A 10 10 GLU CA C 10 57.320 56.262 1.058 1
1 41 . 19 1 1 A 10 10 GLU CB C 10 30.234 30.656 -0.422 1
1 43 . 19 1 1 A 10 10 GLU N N 10 120.550 124.303 -3.753 1
1 44 . 19 1 1 A 11 11 LYS H H 11 8.016 8.922 -0.906 1
1 45 . 19 1 1 A 11 11 LYS HA H 11 4.517 3.825 0.692 1
1 54 . 19 1 1 A 11 11 LYS C C 11 173.757 176.833 -3.076 1
1 55 . 19 1 1 A 11 11 LYS CA C 11 53.783 56.873 -3.090 1
1 56 . 19 1 1 A 11 11 LYS CB C 11 33.260 30.412 2.848 1
1 60 . 19 1 1 A 11 11 LYS N N 11 119.846 117.737 2.109 1
1 61 . 19 1 1 A 12 12 PRO HA H 12 4.272 4.538 -0.266 1
1 68 . 19 1 1 A 12 12 PRO C C 12 176.667 176.290 0.377 1
1 69 . 19 1 1 A 12 12 PRO CA C 12 63.412 65.358 -1.946 1
1 70 . 19 1 1 A 12 12 PRO CB C 12 32.362 31.839 0.523 1
1 73 . 19 1 1 A 13 13 TYR H H 13 7.801 7.630 0.171 1
1 74 . 19 1 1 A 13 13 TYR HA H 13 4.578 4.624 -0.046 1
1 81 . 19 1 1 A 13 13 TYR C C 13 174.321 174.924 -0.603 1
1 82 . 19 1 1 A 13 13 TYR CA C 13 57.814 58.284 -0.470 1
1 83 . 19 1 1 A 13 13 TYR CB C 13 38.437 38.531 -0.094 1
1 88 . 19 1 1 A 13 13 TYR N N 13 118.297 118.159 0.138 1
1 89 . 19 1 1 A 14 14 LYS H H 14 8.450 8.845 -0.395 1
1 90 . 19 1 1 A 14 14 LYS HA H 14 4.734 5.295 -0.561 1
1 99 . 19 1 1 A 14 14 LYS C C 14 174.596 175.887 -1.291 1
1 100 . 19 1 1 A 14 14 LYS CA C 14 55.254 54.559 0.695 1
1 101 . 19 1 1 A 14 14 LYS CB C 14 35.279 35.476 -0.197 1
1 105 . 19 1 1 A 14 14 LYS N N 14 125.533 125.866 -0.333 1
1 106 . 19 1 1 A 15 15 CYS H H 15 9.186 9.077 0.109 1
1 107 . 19 1 1 A 15 15 CYS HA H 15 4.563 4.380 0.183 1
1 110 . 19 1 1 A 15 15 CYS C C 15 176.896 175.484 1.412 1
1 111 . 19 1 1 A 15 15 CYS CA C 15 58.735 58.840 -0.105 1
1 112 . 19 1 1 A 15 15 CYS CB C 15 29.404 27.901 1.503 1
1 113 . 19 1 1 A 15 15 CYS N N 15 126.149 125.220 0.929 1
1 114 . 19 1 1 A 16 16 TYR H H 16 9.138 7.805 1.333 1
1 115 . 19 1 1 A 16 16 TYR HA H 16 4.325 4.288 0.037 1
1 122 . 19 1 1 A 16 16 TYR C C 16 176.155 177.844 -1.689 1
1 123 . 19 1 1 A 16 16 TYR CA C 16 60.508 61.025 -0.517 1
1 124 . 19 1 1 A 16 16 TYR CB C 16 37.564 37.769 -0.205 1
1 129 . 19 1 1 A 16 16 TYR N N 16 130.571 126.026 4.545 1
1 130 . 19 1 1 A 17 17 GLU H H 17 8.405 8.411 -0.006 1
1 131 . 19 1 1 A 17 17 GLU HA H 17 4.138 4.047 0.091 1
1 136 . 19 1 1 A 17 17 GLU C C 17 177.140 177.863 -0.723 1
1 137 . 19 1 1 A 17 17 GLU CA C 17 58.636 58.894 -0.258 1
1 138 . 19 1 1 A 17 17 GLU CB C 17 29.210 29.448 -0.238 1
1 140 . 19 1 1 A 17 17 GLU N N 17 120.856 120.619 0.237 1
1 141 . 19 1 1 A 18 18 CYS H H 18 7.766 7.856 -0.090 1
1 142 . 19 1 1 A 18 18 CYS HA H 18 5.158 4.699 0.459 1
1 145 . 19 1 1 A 18 18 CYS C C 18 176.122 175.660 0.462 1
1 146 . 19 1 1 A 18 18 CYS CA C 18 58.203 59.319 -1.116 1
1 147 . 19 1 1 A 18 18 CYS CB C 18 32.419 30.203 2.216 1
1 148 . 19 1 1 A 18 18 CYS N N 18 113.779 114.921 -1.142 1
1 149 . 19 1 1 A 19 19 GLY H H 19 8.233 8.237 -0.004 1
1 150 . 19 1 1 A 19 19 GLY HA2 H 19 3.693 4.106 -0.413 1
1 151 . 19 1 1 A 19 19 GLY HA3 H 19 4.262 4.126 0.136 1
1 152 . 19 1 1 A 19 19 GLY C C 19 173.845 174.665 -0.820 1
1 153 . 19 1 1 A 19 19 GLY CA C 19 46.274 45.002 1.272 1
1 154 . 19 1 1 A 19 19 GLY N N 19 113.979 109.895 4.084 1
1 155 . 19 1 1 A 20 20 LYS H H 20 7.886 7.404 0.482 1
1 156 . 19 1 1 A 20 20 LYS HA H 20 3.959 4.265 -0.306 1
1 165 . 19 1 1 A 20 20 LYS C C 20 173.244 174.994 -1.750 1
1 166 . 19 1 1 A 20 20 LYS CA C 20 58.013 56.033 1.980 1
1 167 . 19 1 1 A 20 20 LYS CB C 20 33.996 34.174 -0.178 1
1 171 . 19 1 1 A 20 20 LYS N N 20 122.721 120.136 2.585 1
1 172 . 19 1 1 A 21 21 ALA H H 21 7.714 7.696 0.018 1
1 173 . 19 1 1 A 21 21 ALA HA H 21 5.064 5.457 -0.393 1
1 177 . 19 1 1 A 21 21 ALA C C 21 175.915 174.842 1.073 1
1 178 . 19 1 1 A 21 21 ALA CA C 21 50.272 50.194 0.078 1
1 179 . 19 1 1 A 21 21 ALA CB C 21 22.367 23.877 -1.510 1
1 180 . 19 1 1 A 21 21 ALA N N 21 122.778 120.283 2.495 1
1 181 . 19 1 1 A 22 22 PHE H H 22 8.686 8.784 -0.098 1
1 182 . 19 1 1 A 22 22 PHE HA H 22 4.724 4.822 -0.098 1
1 190 . 19 1 1 A 22 22 PHE C C 22 175.341 175.579 -0.238 1
1 191 . 19 1 1 A 22 22 PHE CA C 22 57.367 56.431 0.936 1
1 192 . 19 1 1 A 22 22 PHE CB C 22 43.930 43.172 0.758 1
1 198 . 19 1 1 A 22 22 PHE N N 22 116.150 116.411 -0.261 1
1 199 . 19 1 1 A 23 23 ARG H H 23 9.607 8.801 0.806 1
1 200 . 19 1 1 A 23 23 ARG HA H 23 4.514 4.175 0.339 1
1 207 . 19 1 1 A 23 23 ARG C C 23 176.305 176.323 -0.018 1
1 208 . 19 1 1 A 23 23 ARG CA C 23 58.710 58.955 -0.245 1
1 209 . 19 1 1 A 23 23 ARG CB C 23 32.010 30.760 1.250 1
1 212 . 19 1 1 A 23 23 ARG N N 23 120.730 122.371 -1.641 1
1 213 . 19 1 1 A 24 24 THR H H 24 7.231 7.670 -0.439 1
1 214 . 19 1 1 A 24 24 THR HA H 24 4.787 4.291 0.496 1
1 219 . 19 1 1 A 24 24 THR C C 24 173.868 175.028 -1.160 1
1 220 . 19 1 1 A 24 24 THR CA C 24 58.268 59.471 -1.203 1
1 221 . 19 1 1 A 24 24 THR CB C 24 72.469 71.450 1.019 1
1 223 . 19 1 1 A 24 24 THR N N 24 103.056 111.725 -8.669 1
1 224 . 19 1 1 A 25 25 ARG H H 25 8.333 8.796 -0.463 1
1 225 . 19 1 1 A 25 25 ARG HA H 25 4.787 4.099 0.688 1
1 232 . 19 1 1 A 25 25 ARG C C 25 178.700 177.836 0.864 1
1 233 . 19 1 1 A 25 25 ARG CA C 25 58.670 59.694 -1.024 1
1 234 . 19 1 1 A 25 25 ARG CB C 25 29.210 30.311 -1.101 1
1 237 . 19 1 1 A 25 25 ARG N N 25 123.788 123.057 0.731 1
1 238 . 19 1 1 A 26 26 SER HA H 26 4.136 4.075 0.061 1
1 241 . 19 1 1 A 26 26 SER C C 26 176.659 177.102 -0.443 1
1 242 . 19 1 1 A 26 26 SER CA C 26 61.194 61.636 -0.442 1
1 243 . 19 1 1 A 26 26 SER CB C 26 62.241 63.047 -0.806 1
1 244 . 19 1 1 A 26 26 SER N N 26 116.000 113.770 2.230 1
1 245 . 19 1 1 A 27 27 ASN H H 27 7.748 7.801 -0.053 1
1 246 . 19 1 1 A 27 27 ASN HA H 27 4.390 4.455 -0.065 1
1 251 . 19 1 1 A 27 27 ASN C C 27 177.533 176.988 0.545 1
1 252 . 19 1 1 A 27 27 ASN CA C 27 55.425 56.213 -0.788 1
1 253 . 19 1 1 A 27 27 ASN CB C 27 38.124 39.667 -1.543 1
1 254 . 19 1 1 A 27 27 ASN N N 27 120.092 118.951 1.141 1
1 255 . 19 1 1 A 28 28 LEU H H 28 7.264 7.968 -0.704 1
1 256 . 19 1 1 A 28 28 LEU HA H 28 3.261 1.889 1.372 1
1 266 . 19 1 1 A 28 28 LEU C C 28 177.429 178.342 -0.913 1
1 267 . 19 1 1 A 28 28 LEU CA C 28 58.283 57.239 1.044 1
1 268 . 19 1 1 A 28 28 LEU CB C 28 40.483 41.716 -1.233 1
1 272 . 19 1 1 A 28 28 LEU N N 28 122.398 119.894 2.504 1
1 273 . 19 1 1 A 29 29 THR H H 29 8.649 8.220 0.429 1
1 274 . 19 1 1 A 29 29 THR HA H 29 3.970 3.834 0.136 1
1 279 . 19 1 1 A 29 29 THR C C 29 177.377 176.101 1.276 1
1 280 . 19 1 1 A 29 29 THR CA C 29 66.593 66.485 0.108 1
1 281 . 19 1 1 A 29 29 THR CB C 29 68.457 68.585 -0.128 1
1 283 . 19 1 1 A 29 29 THR N N 29 116.386 113.867 2.519 1
1 284 . 19 1 1 A 30 30 THR H H 30 8.106 7.873 0.233 1
1 285 . 19 1 1 A 30 30 THR HA H 30 3.910 4.015 -0.105 1
1 290 . 19 1 1 A 30 30 THR C C 30 176.144 176.496 -0.352 1
1 291 . 19 1 1 A 30 30 THR CA C 30 66.260 66.119 0.141 1
1 292 . 19 1 1 A 30 30 THR CB C 30 68.792 68.767 0.025 1
1 294 . 19 1 1 A 30 30 THR N N 30 117.533 116.192 1.341 1
1 295 . 19 1 1 A 31 31 HIS H H 31 7.341 7.640 -0.299 1
1 296 . 19 1 1 A 31 31 HIS HA H 31 4.205 4.243 -0.038 1
1 301 . 19 1 1 A 31 31 HIS C C 31 176.196 177.255 -1.059 1
1 302 . 19 1 1 A 31 31 HIS CA C 31 58.919 58.504 0.415 1
1 303 . 19 1 1 A 31 31 HIS CB C 31 28.268 30.021 -1.753 1
1 306 . 19 1 1 A 31 31 HIS N N 31 120.815 120.487 0.328 1
1 307 . 19 1 1 A 32 32 GLN H H 32 8.186 8.059 0.127 1
1 308 . 19 1 1 A 32 32 GLN HA H 32 3.562 3.899 -0.337 1
1 315 . 19 1 1 A 32 32 GLN C C 32 177.032 178.558 -1.526 1
1 316 . 19 1 1 A 32 32 GLN CA C 32 59.582 58.392 1.190 1
1 317 . 19 1 1 A 32 32 GLN CB C 32 28.457 28.594 -0.137 1
1 319 . 19 1 1 A 32 32 GLN N N 32 114.261 118.634 -4.373 1
1 321 . 19 1 1 A 33 33 VAL H H 33 6.965 7.557 -0.592 1
1 322 . 19 1 1 A 33 33 VAL HA H 33 3.868 3.923 -0.055 1
1 330 . 19 1 1 A 33 33 VAL C C 33 178.168 178.313 -0.145 1
1 331 . 19 1 1 A 33 33 VAL CA C 33 64.658 65.995 -1.337 1
1 332 . 19 1 1 A 33 33 VAL CB C 33 31.715 31.536 0.179 1
1 335 . 19 1 1 A 33 33 VAL N N 33 117.665 119.799 -2.134 1
1 336 . 19 1 1 A 34 34 ILE H H 34 7.621 7.359 0.262 1
1 337 . 19 1 1 A 34 34 ILE HA H 34 3.941 3.744 0.197 1
1 347 . 19 1 1 A 34 34 ILE C C 34 177.076 176.782 0.294 1
1 348 . 19 1 1 A 34 34 ILE CA C 34 63.207 64.005 -0.798 1
1 349 . 19 1 1 A 34 34 ILE CB C 34 37.688 37.172 0.516 1
1 353 . 19 1 1 A 34 34 ILE N N 34 117.372 116.998 0.374 1
1 354 . 19 1 1 A 35 35 HIS H H 35 7.253 7.771 -0.518 1
1 355 . 19 1 1 A 35 35 HIS HA H 35 4.908 4.467 0.441 1
1 360 . 19 1 1 A 35 35 HIS C C 35 175.795 175.863 -0.068 1
1 361 . 19 1 1 A 35 35 HIS CA C 35 54.926 57.968 -3.042 1
1 362 . 19 1 1 A 35 35 HIS CB C 35 28.529 30.837 -2.308 1
1 365 . 19 1 1 A 35 35 HIS N N 35 117.505 119.942 -2.437 1
1 366 . 19 1 1 A 36 36 THR H H 36 7.827 7.845 -0.018 1
1 367 . 19 1 1 A 36 36 THR HA H 36 4.331 4.326 0.005 1
1 372 . 19 1 1 A 36 36 THR C C 36 175.532 174.703 0.829 1
1 373 . 19 1 1 A 36 36 THR CA C 36 63.020 61.345 1.675 1
1 374 . 19 1 1 A 36 36 THR CB C 36 69.891 68.573 1.318 1
1 376 . 19 1 1 A 36 36 THR N N 36 112.717 108.231 4.486 1
1 377 . 19 1 1 A 37 37 GLY H H 37 8.358 8.201 0.157 1
1 378 . 19 1 1 A 37 37 GLY HA2 H 37 4.010 4.087 -0.077 1
1 379 . 19 1 1 A 37 37 GLY HA3 H 37 4.010 4.093 -0.083 1
1 380 . 19 1 1 A 37 37 GLY C C 37 174.222 173.984 0.238 1
1 381 . 19 1 1 A 37 37 GLY CA C 37 45.394 44.409 0.985 1
1 382 . 19 1 1 A 37 37 GLY N N 37 110.814 110.937 -0.123 1
1 383 . 19 1 1 A 38 38 GLU H H 38 8.119 8.958 -0.839 1
1 384 . 19 1 1 A 38 38 GLU HA H 38 4.233 3.947 0.286 1
1 389 . 19 1 1 A 38 38 GLU C C 38 176.521 176.264 0.257 1
1 390 . 19 1 1 A 38 38 GLU CA C 38 56.698 57.795 -1.097 1
1 391 . 19 1 1 A 38 38 GLU CB C 38 30.459 28.027 2.432 1
1 393 . 19 1 1 A 38 38 GLU N N 38 120.653 118.085 2.568 1
1 394 . 19 1 1 A 39 39 LYS H H 39 8.372 8.289 0.083 1
1 395 . 19 1 1 A 39 39 LYS HA H 39 4.325 4.010 0.315 1
1 404 . 19 1 1 A 39 39 LYS C C 39 176.520 176.782 -0.262 1
1 405 . 19 1 1 A 39 39 LYS CA C 39 56.254 57.161 -0.907 1
1 406 . 19 1 1 A 39 39 LYS CB C 39 32.719 30.814 1.905 1
1 410 . 19 1 1 A 39 39 LYS N N 39 122.536 115.746 6.790 1
1 411 . 19 1 1 A 40 40 ARG H H 40 8.435 7.728 0.707 1
1 412 . 19 1 1 A 40 40 ARG HA H 40 4.407 4.221 0.186 1
1 419 . 19 1 1 A 40 40 ARG C C 40 176.290 176.028 0.262 1
1 420 . 19 1 1 A 40 40 ARG CA C 40 56.011 58.167 -2.156 1
1 421 . 19 1 1 A 40 40 ARG CB C 40 30.978 31.338 -0.360 1
1 424 . 19 1 1 A 40 40 ARG N N 40 122.912 121.607 1.305 1
1 425 . 19 1 1 A 41 41 SER H H 41 8.428 8.116 0.312 1
1 426 . 19 1 1 A 41 41 SER HA H 41 4.507 4.832 -0.325 1
1 429 . 19 1 1 A 41 41 SER C C 41 174.450 174.441 0.009 1
1 430 . 19 1 1 A 41 41 SER CA C 41 58.208 56.722 1.486 1
1 431 . 19 1 1 A 41 41 SER CB C 41 64.046 65.775 -1.729 1
1 432 . 19 1 1 A 41 41 SER N N 41 117.335 114.408 2.927 1
1 433 . 19 1 1 A 42 42 GLY H H 42 8.265 8.581 -0.316 1
1 434 . 19 1 1 A 42 42 GLY HA2 H 42 4.149 4.125 0.024 1
1 435 . 19 1 1 A 42 42 GLY HA3 H 42 4.115 4.125 -0.010 1
1 436 . 19 1 1 A 42 42 GLY C C 42 171.715 174.488 -2.773 1
1 437 . 19 1 1 A 42 42 GLY CA C 42 44.661 43.745 0.916 1
1 438 . 19 1 1 A 42 42 GLY N N 42 110.713 112.507 -1.794 1
1 439 . 19 1 1 A 43 43 PRO HA H 43 4.476 4.354 0.122 1
1 446 . 19 1 1 A 43 43 PRO C C 43 177.405 177.562 -0.157 1
1 447 . 19 1 1 A 43 43 PRO CA C 43 63.215 63.832 -0.617 1
1 448 . 19 1 1 A 43 43 PRO CB C 43 32.224 31.812 0.412 1
1 451 . 19 1 1 A 44 44 SER H H 44 8.543 8.032 0.511 1
1 452 . 19 1 1 A 44 44 SER HA H 44 4.507 4.080 0.427 1
1 455 . 19 1 1 A 44 44 SER C C 44 174.588 174.275 0.313 1
1 456 . 19 1 1 A 44 44 SER CA C 44 58.352 59.266 -0.914 1
1 457 . 19 1 1 A 44 44 SER CB C 44 63.989 61.340 2.649 1
1 458 . 19 1 1 A 44 44 SER N N 44 116.402 114.566 1.836 1
1 459 . 19 1 1 A 45 45 SER H H 45 8.318 7.830 0.488 1
1 460 . 19 1 1 A 45 45 SER HA H 45 4.508 4.307 0.201 1
1 463 . 19 1 1 A 45 45 SER C C 45 173.887 175.609 -1.722 1
1 464 . 19 1 1 A 45 45 SER CA C 45 58.286 59.175 -0.889 1
1 465 . 19 1 1 A 45 45 SER CB C 45 64.037 63.444 0.593 1
1 466 . 19 1 1 A 45 45 SER N N 45 117.792 115.835 1.957 1
1 1 . 20 1 1 A 7 7 GLY HA2 H 7 3.998 4.369 -0.371 1
1 2 . 20 1 1 A 7 7 GLY HA3 H 7 3.998 4.369 -0.371 1
1 3 . 20 1 1 A 7 7 GLY C C 7 174.369 172.435 1.934 1
1 4 . 20 1 1 A 7 7 GLY CA C 7 45.413 44.589 0.824 1
1 5 . 20 1 1 A 8 8 THR H H 8 8.058 8.690 -0.632 1
1 6 . 20 1 1 A 8 8 THR HA H 8 4.332 4.584 -0.252 1
1 11 . 20 1 1 A 8 8 THR C C 8 174.812 175.059 -0.247 1
1 12 . 20 1 1 A 8 8 THR CA C 8 61.812 60.404 1.408 1
1 13 . 20 1 1 A 8 8 THR CB C 8 69.909 67.870 2.039 1
1 15 . 20 1 1 A 8 8 THR N N 8 113.853 119.056 -5.203 1
1 16 . 20 1 1 A 9 9 LYS H H 9 8.368 8.058 0.310 1
1 17 . 20 1 1 A 9 9 LYS HA H 9 4.234 4.002 0.232 1
1 26 . 20 1 1 A 9 9 LYS C C 9 176.726 176.688 0.038 1
1 27 . 20 1 1 A 9 9 LYS CA C 9 56.616 59.250 -2.634 1
1 28 . 20 1 1 A 9 9 LYS CB C 9 32.666 32.330 0.336 1
1 32 . 20 1 1 A 9 9 LYS N N 9 122.996 126.942 -3.946 1
1 33 . 20 1 1 A 10 10 GLU H H 10 8.247 7.998 0.249 1
1 34 . 20 1 1 A 10 10 GLU HA H 10 4.120 4.615 -0.495 1
1 39 . 20 1 1 A 10 10 GLU C C 10 176.223 174.988 1.235 1
1 40 . 20 1 1 A 10 10 GLU CA C 10 57.320 55.779 1.541 1
1 41 . 20 1 1 A 10 10 GLU CB C 10 30.234 31.891 -1.657 1
1 43 . 20 1 1 A 10 10 GLU N N 10 120.550 113.038 7.512 1
1 44 . 20 1 1 A 11 11 LYS H H 11 8.016 8.823 -0.807 1
1 45 . 20 1 1 A 11 11 LYS HA H 11 4.517 3.842 0.675 1
1 54 . 20 1 1 A 11 11 LYS C C 11 173.757 176.592 -2.835 1
1 55 . 20 1 1 A 11 11 LYS CA C 11 53.783 56.937 -3.154 1
1 56 . 20 1 1 A 11 11 LYS CB C 11 33.260 29.730 3.530 1
1 60 . 20 1 1 A 11 11 LYS N N 11 119.846 119.432 0.414 1
1 61 . 20 1 1 A 12 12 PRO HA H 12 4.272 4.582 -0.310 1
1 68 . 20 1 1 A 12 12 PRO C C 12 176.667 176.261 0.406 1
1 69 . 20 1 1 A 12 12 PRO CA C 12 63.412 65.250 -1.838 1
1 70 . 20 1 1 A 12 12 PRO CB C 12 32.362 31.966 0.396 1
1 73 . 20 1 1 A 13 13 TYR H H 13 7.801 7.660 0.141 1
1 74 . 20 1 1 A 13 13 TYR HA H 13 4.578 4.718 -0.140 1
1 81 . 20 1 1 A 13 13 TYR C C 13 174.321 174.843 -0.522 1
1 82 . 20 1 1 A 13 13 TYR CA C 13 57.814 57.827 -0.013 1
1 83 . 20 1 1 A 13 13 TYR CB C 13 38.437 38.741 -0.304 1
1 88 . 20 1 1 A 13 13 TYR N N 13 118.297 117.939 0.358 1
1 89 . 20 1 1 A 14 14 LYS H H 14 8.450 8.821 -0.371 1
1 90 . 20 1 1 A 14 14 LYS HA H 14 4.734 5.312 -0.578 1
1 99 . 20 1 1 A 14 14 LYS C C 14 174.596 175.861 -1.265 1
1 100 . 20 1 1 A 14 14 LYS CA C 14 55.254 54.469 0.785 1
1 101 . 20 1 1 A 14 14 LYS CB C 14 35.279 35.474 -0.195 1
1 105 . 20 1 1 A 14 14 LYS N N 14 125.533 125.701 -0.168 1
1 106 . 20 1 1 A 15 15 CYS H H 15 9.186 9.229 -0.043 1
1 107 . 20 1 1 A 15 15 CYS HA H 15 4.563 4.394 0.169 1
1 110 . 20 1 1 A 15 15 CYS C C 15 176.896 175.725 1.171 1
1 111 . 20 1 1 A 15 15 CYS CA C 15 58.735 59.141 -0.406 1
1 112 . 20 1 1 A 15 15 CYS CB C 15 29.404 28.337 1.067 1
1 113 . 20 1 1 A 15 15 CYS N N 15 126.149 125.349 0.800 1
1 114 . 20 1 1 A 16 16 TYR H H 16 9.138 7.968 1.170 1
1 115 . 20 1 1 A 16 16 TYR HA H 16 4.325 4.345 -0.020 1
1 122 . 20 1 1 A 16 16 TYR C C 16 176.155 177.760 -1.605 1
1 123 . 20 1 1 A 16 16 TYR CA C 16 60.508 60.973 -0.465 1
1 124 . 20 1 1 A 16 16 TYR CB C 16 37.564 37.410 0.154 1
1 129 . 20 1 1 A 16 16 TYR N N 16 130.571 126.183 4.388 1
1 130 . 20 1 1 A 17 17 GLU H H 17 8.405 8.189 0.216 1
1 131 . 20 1 1 A 17 17 GLU HA H 17 4.138 4.077 0.061 1
1 136 . 20 1 1 A 17 17 GLU C C 17 177.140 177.913 -0.773 1
1 137 . 20 1 1 A 17 17 GLU CA C 17 58.636 58.735 -0.099 1
1 138 . 20 1 1 A 17 17 GLU CB C 17 29.210 29.653 -0.443 1
1 140 . 20 1 1 A 17 17 GLU N N 17 120.856 120.442 0.414 1
1 141 . 20 1 1 A 18 18 CYS H H 18 7.766 7.952 -0.186 1
1 142 . 20 1 1 A 18 18 CYS HA H 18 5.158 4.685 0.473 1
1 145 . 20 1 1 A 18 18 CYS C C 18 176.122 175.712 0.410 1
1 146 . 20 1 1 A 18 18 CYS CA C 18 58.203 59.245 -1.042 1
1 147 . 20 1 1 A 18 18 CYS CB C 18 32.419 30.556 1.863 1
1 148 . 20 1 1 A 18 18 CYS N N 18 113.779 114.897 -1.118 1
1 149 . 20 1 1 A 19 19 GLY H H 19 8.233 8.464 -0.231 1
1 150 . 20 1 1 A 19 19 GLY HA2 H 19 3.693 4.072 -0.379 1
1 151 . 20 1 1 A 19 19 GLY HA3 H 19 4.262 4.094 0.168 1
1 152 . 20 1 1 A 19 19 GLY C C 19 173.845 174.689 -0.844 1
1 153 . 20 1 1 A 19 19 GLY CA C 19 46.274 45.084 1.190 1
1 154 . 20 1 1 A 19 19 GLY N N 19 113.979 110.271 3.708 1
1 155 . 20 1 1 A 20 20 LYS H H 20 7.886 7.495 0.391 1
1 156 . 20 1 1 A 20 20 LYS HA H 20 3.959 4.242 -0.283 1
1 165 . 20 1 1 A 20 20 LYS C C 20 173.244 175.131 -1.887 1
1 166 . 20 1 1 A 20 20 LYS CA C 20 58.013 56.464 1.549 1
1 167 . 20 1 1 A 20 20 LYS CB C 20 33.996 34.051 -0.055 1
1 171 . 20 1 1 A 20 20 LYS N N 20 122.721 120.463 2.258 1
1 172 . 20 1 1 A 21 21 ALA H H 21 7.714 7.788 -0.074 1
1 173 . 20 1 1 A 21 21 ALA HA H 21 5.064 5.540 -0.476 1
1 177 . 20 1 1 A 21 21 ALA C C 21 175.915 174.958 0.957 1
1 178 . 20 1 1 A 21 21 ALA CA C 21 50.272 50.167 0.105 1
1 179 . 20 1 1 A 21 21 ALA CB C 21 22.367 23.962 -1.595 1
1 180 . 20 1 1 A 21 21 ALA N N 21 122.778 119.977 2.801 1
1 181 . 20 1 1 A 22 22 PHE H H 22 8.686 8.785 -0.099 1
1 182 . 20 1 1 A 22 22 PHE HA H 22 4.724 4.779 -0.055 1
1 190 . 20 1 1 A 22 22 PHE C C 22 175.341 175.597 -0.256 1
1 191 . 20 1 1 A 22 22 PHE CA C 22 57.367 56.603 0.764 1
1 192 . 20 1 1 A 22 22 PHE CB C 22 43.930 43.060 0.870 1
1 198 . 20 1 1 A 22 22 PHE N N 22 116.150 116.244 -0.094 1
1 199 . 20 1 1 A 23 23 ARG H H 23 9.607 8.842 0.765 1
1 200 . 20 1 1 A 23 23 ARG HA H 23 4.514 4.104 0.410 1
1 207 . 20 1 1 A 23 23 ARG C C 23 176.305 176.350 -0.045 1
1 208 . 20 1 1 A 23 23 ARG CA C 23 58.710 59.239 -0.529 1
1 209 . 20 1 1 A 23 23 ARG CB C 23 32.010 30.612 1.398 1
1 212 . 20 1 1 A 23 23 ARG N N 23 120.730 122.921 -2.191 1
1 213 . 20 1 1 A 24 24 THR H H 24 7.231 7.745 -0.514 1
1 214 . 20 1 1 A 24 24 THR HA H 24 4.787 4.290 0.497 1
1 219 . 20 1 1 A 24 24 THR C C 24 173.868 175.046 -1.178 1
1 220 . 20 1 1 A 24 24 THR CA C 24 58.268 59.541 -1.273 1
1 221 . 20 1 1 A 24 24 THR CB C 24 72.469 70.863 1.606 1
1 223 . 20 1 1 A 24 24 THR N N 24 103.056 111.719 -8.663 1
1 224 . 20 1 1 A 25 25 ARG H H 25 8.333 8.675 -0.342 1
1 225 . 20 1 1 A 25 25 ARG HA H 25 4.787 4.063 0.724 1
1 232 . 20 1 1 A 25 25 ARG C C 25 178.700 177.493 1.207 1
1 233 . 20 1 1 A 25 25 ARG CA C 25 58.670 59.165 -0.495 1
1 234 . 20 1 1 A 25 25 ARG CB C 25 29.210 30.474 -1.264 1
1 237 . 20 1 1 A 25 25 ARG N N 25 123.788 122.858 0.930 1
1 238 . 20 1 1 A 26 26 SER HA H 26 4.136 4.055 0.081 1
1 241 . 20 1 1 A 26 26 SER C C 26 176.659 176.976 -0.317 1
1 242 . 20 1 1 A 26 26 SER CA C 26 61.194 61.416 -0.222 1
1 243 . 20 1 1 A 26 26 SER CB C 26 62.241 62.982 -0.741 1
1 244 . 20 1 1 A 26 26 SER N N 26 116.000 113.972 2.028 1
1 245 . 20 1 1 A 27 27 ASN H H 27 7.748 7.636 0.112 1
1 246 . 20 1 1 A 27 27 ASN HA H 27 4.390 4.539 -0.149 1
1 251 . 20 1 1 A 27 27 ASN C C 27 177.533 177.596 -0.063 1
1 252 . 20 1 1 A 27 27 ASN CA C 27 55.425 56.242 -0.817 1
1 253 . 20 1 1 A 27 27 ASN CB C 27 38.124 38.079 0.045 1
1 254 . 20 1 1 A 27 27 ASN N N 27 120.092 119.450 0.642 1
1 255 . 20 1 1 A 28 28 LEU H H 28 7.264 7.998 -0.734 1
1 256 . 20 1 1 A 28 28 LEU HA H 28 3.261 1.836 1.425 1
1 266 . 20 1 1 A 28 28 LEU C C 28 177.429 178.048 -0.619 1
1 267 . 20 1 1 A 28 28 LEU CA C 28 58.283 57.044 1.239 1
1 268 . 20 1 1 A 28 28 LEU CB C 28 40.483 41.627 -1.144 1
1 272 . 20 1 1 A 28 28 LEU N N 28 122.398 121.262 1.136 1
1 273 . 20 1 1 A 29 29 THR H H 29 8.649 8.078 0.571 1
1 274 . 20 1 1 A 29 29 THR HA H 29 3.970 3.805 0.165 1
1 279 . 20 1 1 A 29 29 THR C C 29 177.377 176.264 1.113 1
1 280 . 20 1 1 A 29 29 THR CA C 29 66.593 66.380 0.213 1
1 281 . 20 1 1 A 29 29 THR CB C 29 68.457 68.318 0.139 1
1 283 . 20 1 1 A 29 29 THR N N 29 116.386 113.719 2.667 1
1 284 . 20 1 1 A 30 30 THR H H 30 8.106 7.650 0.456 1
1 285 . 20 1 1 A 30 30 THR HA H 30 3.910 3.972 -0.062 1
1 290 . 20 1 1 A 30 30 THR C C 30 176.144 176.418 -0.274 1
1 291 . 20 1 1 A 30 30 THR CA C 30 66.260 65.674 0.586 1
1 292 . 20 1 1 A 30 30 THR CB C 30 68.792 68.887 -0.095 1
1 294 . 20 1 1 A 30 30 THR N N 30 117.533 116.066 1.467 1
1 295 . 20 1 1 A 31 31 HIS H H 31 7.341 7.878 -0.537 1
1 296 . 20 1 1 A 31 31 HIS HA H 31 4.205 4.307 -0.102 1
1 301 . 20 1 1 A 31 31 HIS C C 31 176.196 177.214 -1.018 1
1 302 . 20 1 1 A 31 31 HIS CA C 31 58.919 58.673 0.246 1
1 303 . 20 1 1 A 31 31 HIS CB C 31 28.268 30.118 -1.850 1
1 306 . 20 1 1 A 31 31 HIS N N 31 120.815 120.219 0.596 1
1 307 . 20 1 1 A 32 32 GLN H H 32 8.186 8.021 0.165 1
1 308 . 20 1 1 A 32 32 GLN HA H 32 3.562 3.913 -0.351 1
1 315 . 20 1 1 A 32 32 GLN C C 32 177.032 178.426 -1.394 1
1 316 . 20 1 1 A 32 32 GLN CA C 32 59.582 58.346 1.236 1
1 317 . 20 1 1 A 32 32 GLN CB C 32 28.457 28.635 -0.178 1
1 319 . 20 1 1 A 32 32 GLN N N 32 114.261 118.650 -4.389 1
1 321 . 20 1 1 A 33 33 VAL H H 33 6.965 7.568 -0.603 1
1 322 . 20 1 1 A 33 33 VAL HA H 33 3.868 3.772 0.096 1
1 330 . 20 1 1 A 33 33 VAL C C 33 178.168 178.234 -0.066 1
1 331 . 20 1 1 A 33 33 VAL CA C 33 64.658 65.710 -1.052 1
1 332 . 20 1 1 A 33 33 VAL CB C 33 31.715 31.668 0.047 1
1 335 . 20 1 1 A 33 33 VAL N N 33 117.665 119.909 -2.244 1
1 336 . 20 1 1 A 34 34 ILE H H 34 7.621 7.352 0.269 1
1 337 . 20 1 1 A 34 34 ILE HA H 34 3.941 3.728 0.213 1
1 347 . 20 1 1 A 34 34 ILE C C 34 177.076 176.701 0.375 1
1 348 . 20 1 1 A 34 34 ILE CA C 34 63.207 63.803 -0.596 1
1 349 . 20 1 1 A 34 34 ILE CB C 34 37.688 37.078 0.610 1
1 353 . 20 1 1 A 34 34 ILE N N 34 117.372 116.843 0.529 1
1 354 . 20 1 1 A 35 35 HIS H H 35 7.253 7.666 -0.413 1
1 355 . 20 1 1 A 35 35 HIS HA H 35 4.908 4.491 0.417 1
1 360 . 20 1 1 A 35 35 HIS C C 35 175.795 175.128 0.667 1
1 361 . 20 1 1 A 35 35 HIS CA C 35 54.926 57.109 -2.183 1
1 362 . 20 1 1 A 35 35 HIS CB C 35 28.529 30.312 -1.783 1
1 365 . 20 1 1 A 35 35 HIS N N 35 117.505 119.117 -1.612 1
1 366 . 20 1 1 A 36 36 THR H H 36 7.827 7.667 0.160 1
1 367 . 20 1 1 A 36 36 THR HA H 36 4.331 4.677 -0.346 1
1 372 . 20 1 1 A 36 36 THR C C 36 175.532 174.039 1.493 1
1 373 . 20 1 1 A 36 36 THR CA C 36 63.020 60.023 2.997 1
1 374 . 20 1 1 A 36 36 THR CB C 36 69.891 71.270 -1.379 1
1 376 . 20 1 1 A 36 36 THR N N 36 112.717 109.145 3.572 1
1 377 . 20 1 1 A 37 37 GLY H H 37 8.358 8.274 0.084 1
1 378 . 20 1 1 A 37 37 GLY HA2 H 37 4.010 4.138 -0.128 1
1 379 . 20 1 1 A 37 37 GLY HA3 H 37 4.010 4.143 -0.133 1
1 380 . 20 1 1 A 37 37 GLY C C 37 174.222 172.773 1.449 1
1 381 . 20 1 1 A 37 37 GLY CA C 37 45.394 46.241 -0.847 1
1 382 . 20 1 1 A 37 37 GLY N N 37 110.814 109.054 1.760 1
1 383 . 20 1 1 A 38 38 GLU H H 38 8.119 8.286 -0.167 1
1 384 . 20 1 1 A 38 38 GLU HA H 38 4.233 4.385 -0.152 1
1 389 . 20 1 1 A 38 38 GLU C C 38 176.521 175.395 1.126 1
1 390 . 20 1 1 A 38 38 GLU CA C 38 56.698 55.116 1.582 1
1 391 . 20 1 1 A 38 38 GLU CB C 38 30.459 28.673 1.786 1
1 393 . 20 1 1 A 38 38 GLU N N 38 120.653 124.399 -3.746 1
1 394 . 20 1 1 A 39 39 LYS H H 39 8.372 7.851 0.521 1
1 395 . 20 1 1 A 39 39 LYS HA H 39 4.325 4.198 0.127 1
1 404 . 20 1 1 A 39 39 LYS C C 39 176.520 177.058 -0.538 1
1 405 . 20 1 1 A 39 39 LYS CA C 39 56.254 56.888 -0.634 1
1 406 . 20 1 1 A 39 39 LYS CB C 39 32.719 32.322 0.397 1
1 410 . 20 1 1 A 39 39 LYS N N 39 122.536 126.510 -3.974 1
1 411 . 20 1 1 A 40 40 ARG H H 40 8.435 8.353 0.082 1
1 412 . 20 1 1 A 40 40 ARG HA H 40 4.407 4.224 0.183 1
1 419 . 20 1 1 A 40 40 ARG C C 40 176.290 176.490 -0.200 1
1 420 . 20 1 1 A 40 40 ARG CA C 40 56.011 57.276 -1.265 1
1 421 . 20 1 1 A 40 40 ARG CB C 40 30.978 30.803 0.175 1
1 424 . 20 1 1 A 40 40 ARG N N 40 122.912 124.337 -1.425 1
1 425 . 20 1 1 A 41 41 SER H H 41 8.428 8.532 -0.104 1
1 426 . 20 1 1 A 41 41 SER HA H 41 4.507 4.677 -0.170 1
1 429 . 20 1 1 A 41 41 SER C C 41 174.450 174.805 -0.355 1
1 430 . 20 1 1 A 41 41 SER CA C 41 58.208 57.635 0.573 1
1 431 . 20 1 1 A 41 41 SER CB C 41 64.046 65.082 -1.036 1
1 432 . 20 1 1 A 41 41 SER N N 41 117.335 116.446 0.889 1
1 433 . 20 1 1 A 42 42 GLY H H 42 8.265 8.539 -0.274 1
1 434 . 20 1 1 A 42 42 GLY HA2 H 42 4.149 4.009 0.140 1
1 435 . 20 1 1 A 42 42 GLY HA3 H 42 4.115 4.009 0.106 1
1 436 . 20 1 1 A 42 42 GLY C C 42 171.715 174.318 -2.603 1
1 437 . 20 1 1 A 42 42 GLY CA C 42 44.661 45.256 -0.595 1
1 438 . 20 1 1 A 42 42 GLY N N 42 110.713 107.945 2.768 1
1 439 . 20 1 1 A 43 43 PRO HA H 43 4.476 4.448 0.028 1
1 446 . 20 1 1 A 43 43 PRO C C 43 177.405 177.417 -0.012 1
1 447 . 20 1 1 A 43 43 PRO CA C 43 63.215 63.459 -0.244 1
1 448 . 20 1 1 A 43 43 PRO CB C 43 32.224 32.007 0.217 1
1 451 . 20 1 1 A 44 44 SER H H 44 8.543 8.119 0.424 1
1 452 . 20 1 1 A 44 44 SER HA H 44 4.507 4.069 0.438 1
1 455 . 20 1 1 A 44 44 SER C C 44 174.588 173.396 1.192 1
1 456 . 20 1 1 A 44 44 SER CA C 44 58.352 59.456 -1.104 1
1 457 . 20 1 1 A 44 44 SER CB C 44 63.989 61.800 2.189 1
1 458 . 20 1 1 A 44 44 SER N N 44 116.402 114.923 1.479 1
1 459 . 20 1 1 A 45 45 SER H H 45 8.318 7.800 0.518 1
1 460 . 20 1 1 A 45 45 SER HA H 45 4.508 5.058 -0.550 1
1 463 . 20 1 1 A 45 45 SER C C 45 173.887 173.226 0.661 1
1 464 . 20 1 1 A 45 45 SER CA C 45 58.286 56.458 1.828 1
1 465 . 20 1 1 A 45 45 SER CB C 45 64.037 66.105 -2.068 1
1 466 . 20 1 1 A 45 45 SER N N 45 117.792 114.856 2.936 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 39 1.160 1
2 1 1 1 "RMS(OBS, PRED)" CA 39 1.452 1
3 1 1 1 "RMS(OBS, PRED)" CB 35 1.223 1
4 1 1 1 "RMS(OBS, PRED)" H 35 0.487 1
5 1 1 1 "RMS(OBS, PRED)" HA 43 0.392 1
6 1 1 1 "RMS(OBS, PRED)" N 36 2.594 1
7 1 2 1 "RMS(OBS, PRED)" C 39 1.107 1
8 1 2 1 "RMS(OBS, PRED)" CA 39 1.210 1
9 1 2 1 "RMS(OBS, PRED)" CB 35 1.306 1
10 1 2 1 "RMS(OBS, PRED)" H 35 0.485 1
11 1 2 1 "RMS(OBS, PRED)" HA 43 0.371 1
12 1 2 1 "RMS(OBS, PRED)" N 36 2.812 1
13 1 3 1 "RMS(OBS, PRED)" C 39 1.096 1
14 1 3 1 "RMS(OBS, PRED)" CA 39 1.117 1
15 1 3 1 "RMS(OBS, PRED)" CB 35 1.228 1
16 1 3 1 "RMS(OBS, PRED)" H 35 0.451 1
17 1 3 1 "RMS(OBS, PRED)" HA 43 0.340 1
18 1 3 1 "RMS(OBS, PRED)" N 36 2.704 1
19 1 4 1 "RMS(OBS, PRED)" C 39 1.148 1
20 1 4 1 "RMS(OBS, PRED)" CA 39 1.338 1
21 1 4 1 "RMS(OBS, PRED)" CB 35 1.485 1
22 1 4 1 "RMS(OBS, PRED)" H 35 0.508 1
23 1 4 1 "RMS(OBS, PRED)" HA 43 0.391 1
24 1 4 1 "RMS(OBS, PRED)" N 36 2.849 1
25 1 5 1 "RMS(OBS, PRED)" C 39 1.227 1
26 1 5 1 "RMS(OBS, PRED)" CA 39 1.372 1
27 1 5 1 "RMS(OBS, PRED)" CB 35 1.226 1
28 1 5 1 "RMS(OBS, PRED)" H 35 0.505 1
29 1 5 1 "RMS(OBS, PRED)" HA 43 0.372 1
30 1 5 1 "RMS(OBS, PRED)" N 36 2.840 1
31 1 6 1 "RMS(OBS, PRED)" C 39 1.096 1
32 1 6 1 "RMS(OBS, PRED)" CA 39 1.255 1
33 1 6 1 "RMS(OBS, PRED)" CB 35 1.339 1
34 1 6 1 "RMS(OBS, PRED)" H 35 0.484 1
35 1 6 1 "RMS(OBS, PRED)" HA 43 0.366 1
36 1 6 1 "RMS(OBS, PRED)" N 36 2.768 1
37 1 7 1 "RMS(OBS, PRED)" C 39 1.068 1
38 1 7 1 "RMS(OBS, PRED)" CA 39 1.194 1
39 1 7 1 "RMS(OBS, PRED)" CB 35 1.349 1
40 1 7 1 "RMS(OBS, PRED)" H 35 0.437 1
41 1 7 1 "RMS(OBS, PRED)" HA 43 0.398 1
42 1 7 1 "RMS(OBS, PRED)" N 36 2.518 1
43 1 8 1 "RMS(OBS, PRED)" C 39 1.090 1
44 1 8 1 "RMS(OBS, PRED)" CA 39 1.471 1
45 1 8 1 "RMS(OBS, PRED)" CB 35 1.254 1
46 1 8 1 "RMS(OBS, PRED)" H 35 0.497 1
47 1 8 1 "RMS(OBS, PRED)" HA 43 0.417 1
48 1 8 1 "RMS(OBS, PRED)" N 36 2.947 1
49 1 9 1 "RMS(OBS, PRED)" C 39 1.195 1
50 1 9 1 "RMS(OBS, PRED)" CA 39 1.222 1
51 1 9 1 "RMS(OBS, PRED)" CB 35 1.231 1
52 1 9 1 "RMS(OBS, PRED)" H 35 0.477 1
53 1 9 1 "RMS(OBS, PRED)" HA 43 0.415 1
54 1 9 1 "RMS(OBS, PRED)" N 36 2.816 1
55 1 10 1 "RMS(OBS, PRED)" C 39 1.058 1
56 1 10 1 "RMS(OBS, PRED)" CA 39 1.299 1
57 1 10 1 "RMS(OBS, PRED)" CB 35 1.295 1
58 1 10 1 "RMS(OBS, PRED)" H 35 0.460 1
59 1 10 1 "RMS(OBS, PRED)" HA 43 0.386 1
60 1 10 1 "RMS(OBS, PRED)" N 36 3.004 1
61 1 11 1 "RMS(OBS, PRED)" C 39 1.173 1
62 1 11 1 "RMS(OBS, PRED)" CA 39 1.340 1
63 1 11 1 "RMS(OBS, PRED)" CB 35 1.432 1
64 1 11 1 "RMS(OBS, PRED)" H 35 0.428 1
65 1 11 1 "RMS(OBS, PRED)" HA 43 0.389 1
66 1 11 1 "RMS(OBS, PRED)" N 36 3.037 1
67 1 12 1 "RMS(OBS, PRED)" C 39 1.126 1
68 1 12 1 "RMS(OBS, PRED)" CA 39 1.179 1
69 1 12 1 "RMS(OBS, PRED)" CB 35 1.190 1
70 1 12 1 "RMS(OBS, PRED)" H 35 0.445 1
71 1 12 1 "RMS(OBS, PRED)" HA 43 0.359 1
72 1 12 1 "RMS(OBS, PRED)" N 36 2.857 1
73 1 13 1 "RMS(OBS, PRED)" C 39 1.125 1
74 1 13 1 "RMS(OBS, PRED)" CA 39 1.451 1
75 1 13 1 "RMS(OBS, PRED)" CB 35 1.412 1
76 1 13 1 "RMS(OBS, PRED)" H 35 0.458 1
77 1 13 1 "RMS(OBS, PRED)" HA 43 0.418 1
78 1 13 1 "RMS(OBS, PRED)" N 36 2.767 1
79 1 14 1 "RMS(OBS, PRED)" C 39 1.179 1
80 1 14 1 "RMS(OBS, PRED)" CA 39 1.530 1
81 1 14 1 "RMS(OBS, PRED)" CB 35 1.302 1
82 1 14 1 "RMS(OBS, PRED)" H 35 0.497 1
83 1 14 1 "RMS(OBS, PRED)" HA 43 0.412 1
84 1 14 1 "RMS(OBS, PRED)" N 36 3.042 1
85 1 15 1 "RMS(OBS, PRED)" C 39 1.171 1
86 1 15 1 "RMS(OBS, PRED)" CA 39 1.270 1
87 1 15 1 "RMS(OBS, PRED)" CB 35 1.564 1
88 1 15 1 "RMS(OBS, PRED)" H 35 0.479 1
89 1 15 1 "RMS(OBS, PRED)" HA 43 0.417 1
90 1 15 1 "RMS(OBS, PRED)" N 36 2.949 1
91 1 16 1 "RMS(OBS, PRED)" C 39 1.192 1
92 1 16 1 "RMS(OBS, PRED)" CA 39 1.441 1
93 1 16 1 "RMS(OBS, PRED)" CB 35 1.530 1
94 1 16 1 "RMS(OBS, PRED)" H 35 0.446 1
95 1 16 1 "RMS(OBS, PRED)" HA 43 0.385 1
96 1 16 1 "RMS(OBS, PRED)" N 36 2.729 1
97 1 17 1 "RMS(OBS, PRED)" C 39 1.082 1
98 1 17 1 "RMS(OBS, PRED)" CA 39 1.269 1
99 1 17 1 "RMS(OBS, PRED)" CB 35 1.583 1
100 1 17 1 "RMS(OBS, PRED)" H 35 0.473 1
101 1 17 1 "RMS(OBS, PRED)" HA 43 0.434 1
102 1 17 1 "RMS(OBS, PRED)" N 36 2.640 1
103 1 18 1 "RMS(OBS, PRED)" C 39 1.141 1
104 1 18 1 "RMS(OBS, PRED)" CA 39 1.370 1
105 1 18 1 "RMS(OBS, PRED)" CB 35 1.207 1
106 1 18 1 "RMS(OBS, PRED)" H 35 0.448 1
107 1 18 1 "RMS(OBS, PRED)" HA 43 0.413 1
108 1 18 1 "RMS(OBS, PRED)" N 36 2.875 1
109 1 19 1 "RMS(OBS, PRED)" C 39 1.109 1
110 1 19 1 "RMS(OBS, PRED)" CA 39 1.266 1
111 1 19 1 "RMS(OBS, PRED)" CB 35 1.444 1
112 1 19 1 "RMS(OBS, PRED)" H 35 0.480 1
113 1 19 1 "RMS(OBS, PRED)" HA 43 0.367 1
114 1 19 1 "RMS(OBS, PRED)" N 36 2.934 1
115 1 20 1 "RMS(OBS, PRED)" C 39 1.127 1
116 1 20 1 "RMS(OBS, PRED)" CA 39 1.297 1
117 1 20 1 "RMS(OBS, PRED)" CB 35 1.311 1
118 1 20 1 "RMS(OBS, PRED)" H 35 0.450 1
119 1 20 1 "RMS(OBS, PRED)" HA 43 0.392 1
120 1 20 1 "RMS(OBS, PRED)" N 36 3.106 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 HA2 H 7 3.998 4.081 -0.083 2
1 2 . 1 1 A 7 7 GLY HA3 H 7 3.998 4.084 -0.086 2
1 3 . 1 1 A 7 7 GLY C C 7 174.369 173.745 0.624 2
1 4 . 1 1 A 7 7 GLY CA C 7 45.413 45.720 -0.307 2
1 5 . 1 1 A 8 8 THR H H 8 8.058 8.112 -0.054 2
1 6 . 1 1 A 8 8 THR HA H 8 4.332 4.630 -0.298 2
1 11 . 1 1 A 8 8 THR C C 8 174.812 173.989 0.823 2
1 12 . 1 1 A 8 8 THR CA C 8 61.812 61.334 0.478 2
1 13 . 1 1 A 8 8 THR CB C 8 69.909 69.874 0.035 2
1 15 . 1 1 A 8 8 THR N N 8 113.853 114.041 -0.188 2
1 16 . 1 1 A 9 9 LYS H H 9 8.368 8.653 -0.285 2
1 17 . 1 1 A 9 9 LYS HA H 9 4.234 4.541 -0.307 2
1 26 . 1 1 A 9 9 LYS C C 9 176.726 175.770 0.956 2
1 27 . 1 1 A 9 9 LYS CA C 9 56.616 56.358 0.258 2
1 28 . 1 1 A 9 9 LYS CB C 9 32.666 33.785 -1.119 2
1 32 . 1 1 A 9 9 LYS N N 9 122.996 125.165 -2.170 2
1 33 . 1 1 A 10 10 GLU H H 10 8.247 8.301 -0.054 2
1 34 . 1 1 A 10 10 GLU HA H 10 4.120 4.585 -0.465 2
1 39 . 1 1 A 10 10 GLU C C 10 176.223 175.767 0.456 2
1 40 . 1 1 A 10 10 GLU CA C 10 57.320 55.388 1.932 2
1 41 . 1 1 A 10 10 GLU CB C 10 30.234 31.726 -1.492 2
1 43 . 1 1 A 10 10 GLU N N 10 120.550 120.476 0.074 2
1 44 . 1 1 A 11 11 LYS H H 11 8.016 8.845 -0.829 2
1 45 . 1 1 A 11 11 LYS HA H 11 4.517 3.862 0.655 2
1 54 . 1 1 A 11 11 LYS C C 11 173.757 176.728 -2.971 2
1 55 . 1 1 A 11 11 LYS CA C 11 53.783 56.844 -3.061 2
1 56 . 1 1 A 11 11 LYS CB C 11 33.260 30.232 3.028 2
1 60 . 1 1 A 11 11 LYS N N 11 119.846 119.008 0.838 2
1 61 . 1 1 A 12 12 PRO HA H 12 4.272 4.567 -0.295 2
1 68 . 1 1 A 12 12 PRO C C 12 176.667 176.246 0.421 2
1 69 . 1 1 A 12 12 PRO CA C 12 63.412 65.347 -1.935 2
1 70 . 1 1 A 12 12 PRO CB C 12 32.362 31.894 0.468 2
1 73 . 1 1 A 13 13 TYR H H 13 7.801 7.629 0.172 2
1 74 . 1 1 A 13 13 TYR HA H 13 4.578 4.657 -0.079 2
1 81 . 1 1 A 13 13 TYR C C 13 174.321 174.931 -0.610 2
1 82 . 1 1 A 13 13 TYR CA C 13 57.814 58.309 -0.495 2
1 83 . 1 1 A 13 13 TYR CB C 13 38.437 38.581 -0.144 2
1 88 . 1 1 A 13 13 TYR N N 13 118.297 118.081 0.216 2
1 89 . 1 1 A 14 14 LYS H H 14 8.450 8.874 -0.424 2
1 90 . 1 1 A 14 14 LYS HA H 14 4.734 5.337 -0.603 2
1 99 . 1 1 A 14 14 LYS C C 14 174.596 175.689 -1.093 2
1 100 . 1 1 A 14 14 LYS CA C 14 55.254 54.432 0.822 2
1 101 . 1 1 A 14 14 LYS CB C 14 35.279 35.623 -0.344 2
1 105 . 1 1 A 14 14 LYS N N 14 125.533 125.465 0.068 2
1 106 . 1 1 A 15 15 CYS H H 15 9.186 9.183 0.003 2
1 107 . 1 1 A 15 15 CYS HA H 15 4.563 4.410 0.152 2
1 110 . 1 1 A 15 15 CYS C C 15 176.896 175.615 1.281 2
1 111 . 1 1 A 15 15 CYS CA C 15 58.735 59.044 -0.309 2
1 112 . 1 1 A 15 15 CYS CB C 15 29.404 28.188 1.216 2
1 113 . 1 1 A 15 15 CYS N N 15 126.149 125.275 0.874 2
1 114 . 1 1 A 16 16 TYR H H 16 9.138 7.942 1.196 2
1 115 . 1 1 A 16 16 TYR HA H 16 4.325 4.342 -0.017 2
1 122 . 1 1 A 16 16 TYR C C 16 176.155 177.752 -1.597 2
1 123 . 1 1 A 16 16 TYR CA C 16 60.508 60.869 -0.361 2
1 124 . 1 1 A 16 16 TYR CB C 16 37.564 37.579 -0.015 2
1 129 . 1 1 A 16 16 TYR N N 16 130.571 126.124 4.447 2
1 130 . 1 1 A 17 17 GLU H H 17 8.405 8.214 0.191 2
1 131 . 1 1 A 17 17 GLU HA H 17 4.138 4.080 0.058 2
1 136 . 1 1 A 17 17 GLU C C 17 177.140 177.843 -0.702 2
1 137 . 1 1 A 17 17 GLU CA C 17 58.636 58.710 -0.074 2
1 138 . 1 1 A 17 17 GLU CB C 17 29.210 29.591 -0.381 2
1 140 . 1 1 A 17 17 GLU N N 17 120.856 120.461 0.395 2
1 141 . 1 1 A 18 18 CYS H H 18 7.766 7.964 -0.198 2
1 142 . 1 1 A 18 18 CYS HA H 18 5.158 4.697 0.461 2
1 145 . 1 1 A 18 18 CYS C C 18 176.122 175.619 0.503 2
1 146 . 1 1 A 18 18 CYS CA C 18 58.203 59.406 -1.203 2
1 147 . 1 1 A 18 18 CYS CB C 18 32.419 30.180 2.239 2
1 148 . 1 1 A 18 18 CYS N N 18 113.779 114.875 -1.096 2
1 149 . 1 1 A 19 19 GLY H H 19 8.233 8.095 0.138 2
1 150 . 1 1 A 19 19 GLY HA2 H 19 3.693 4.098 -0.405 2
1 151 . 1 1 A 19 19 GLY HA3 H 19 4.262 4.117 0.145 2
1 152 . 1 1 A 19 19 GLY C C 19 173.845 174.610 -0.765 2
1 153 . 1 1 A 19 19 GLY CA C 19 46.274 44.999 1.275 2
1 154 . 1 1 A 19 19 GLY N N 19 113.979 109.972 4.007 2
1 155 . 1 1 A 20 20 LYS H H 20 7.886 7.406 0.480 2
1 156 . 1 1 A 20 20 LYS HA H 20 3.959 4.268 -0.309 2
1 165 . 1 1 A 20 20 LYS C C 20 173.244 175.088 -1.844 2
1 166 . 1 1 A 20 20 LYS CA C 20 58.013 56.090 1.923 2
1 167 . 1 1 A 20 20 LYS CB C 20 33.996 34.133 -0.137 2
1 171 . 1 1 A 20 20 LYS N N 20 122.721 120.207 2.514 2
1 172 . 1 1 A 21 21 ALA H H 21 7.714 7.712 0.002 2
1 173 . 1 1 A 21 21 ALA HA H 21 5.064 5.516 -0.452 2
1 177 . 1 1 A 21 21 ALA C C 21 175.915 174.912 1.003 2
1 178 . 1 1 A 21 21 ALA CA C 21 50.272 50.174 0.098 2
1 179 . 1 1 A 21 21 ALA CB C 21 22.367 23.892 -1.525 2
1 180 . 1 1 A 21 21 ALA N N 21 122.778 120.133 2.645 2
1 181 . 1 1 A 22 22 PHE H H 22 8.686 8.836 -0.150 2
1 182 . 1 1 A 22 22 PHE HA H 22 4.724 4.827 -0.103 2
1 190 . 1 1 A 22 22 PHE C C 22 175.341 175.578 -0.237 2
1 191 . 1 1 A 22 22 PHE CA C 22 57.367 56.552 0.815 2
1 192 . 1 1 A 22 22 PHE CB C 22 43.930 43.241 0.689 2
1 198 . 1 1 A 22 22 PHE N N 22 116.150 116.317 -0.167 2
1 199 . 1 1 A 23 23 ARG H H 23 9.607 8.846 0.761 2
1 200 . 1 1 A 23 23 ARG HA H 23 4.514 4.179 0.335 2
1 207 . 1 1 A 23 23 ARG C C 23 176.305 176.298 0.007 2
1 208 . 1 1 A 23 23 ARG CA C 23 58.710 58.816 -0.106 2
1 209 . 1 1 A 23 23 ARG CB C 23 32.010 30.758 1.252 2
1 212 . 1 1 A 23 23 ARG N N 23 120.730 122.282 -1.552 2
1 213 . 1 1 A 24 24 THR H H 24 7.231 7.695 -0.464 2
1 214 . 1 1 A 24 24 THR HA H 24 4.787 4.286 0.501 2
1 219 . 1 1 A 24 24 THR C C 24 173.868 175.088 -1.219 2
1 220 . 1 1 A 24 24 THR CA C 24 58.268 59.420 -1.152 2
1 221 . 1 1 A 24 24 THR CB C 24 72.469 71.425 1.044 2
1 223 . 1 1 A 24 24 THR N N 24 103.056 111.600 -8.544 2
1 224 . 1 1 A 25 25 ARG H H 25 8.333 8.767 -0.434 2
1 225 . 1 1 A 25 25 ARG HA H 25 4.787 4.096 0.690 2
1 232 . 1 1 A 25 25 ARG C C 25 178.700 177.772 0.928 2
1 233 . 1 1 A 25 25 ARG CA C 25 58.670 59.694 -1.024 2
1 234 . 1 1 A 25 25 ARG CB C 25 29.210 30.377 -1.167 2
1 237 . 1 1 A 25 25 ARG N N 25 123.788 122.946 0.842 2
1 238 . 1 1 A 26 26 SER HA H 26 4.136 4.053 0.083 2
1 241 . 1 1 A 26 26 SER C C 26 176.659 177.006 -0.347 2
1 242 . 1 1 A 26 26 SER CA C 26 61.194 61.562 -0.368 2
1 243 . 1 1 A 26 26 SER CB C 26 62.241 63.015 -0.774 2
1 244 . 1 1 A 26 26 SER N N 26 116.000 113.854 2.146 2
1 245 . 1 1 A 27 27 ASN H H 27 7.748 7.789 -0.041 2
1 246 . 1 1 A 27 27 ASN HA H 27 4.390 4.451 -0.061 2
1 251 . 1 1 A 27 27 ASN C C 27 177.533 177.133 0.400 2
1 252 . 1 1 A 27 27 ASN CA C 27 55.425 56.178 -0.753 2
1 253 . 1 1 A 27 27 ASN CB C 27 38.124 39.366 -1.242 2
1 254 . 1 1 A 27 27 ASN N N 27 120.092 119.161 0.931 2
1 255 . 1 1 A 28 28 LEU H H 28 7.264 7.959 -0.695 2
1 256 . 1 1 A 28 28 LEU HA H 28 3.261 1.913 1.348 2
1 266 . 1 1 A 28 28 LEU C C 28 177.429 178.295 -0.866 2
1 267 . 1 1 A 28 28 LEU CA C 28 58.283 57.148 1.135 2
1 268 . 1 1 A 28 28 LEU CB C 28 40.483 41.630 -1.147 2
1 272 . 1 1 A 28 28 LEU N N 28 122.398 120.035 2.363 2
1 273 . 1 1 A 29 29 THR H H 29 8.649 8.200 0.449 2
1 274 . 1 1 A 29 29 THR HA H 29 3.970 3.826 0.144 2
1 279 . 1 1 A 29 29 THR C C 29 177.377 176.232 1.145 2
1 280 . 1 1 A 29 29 THR CA C 29 66.593 66.463 0.130 2
1 281 . 1 1 A 29 29 THR CB C 29 68.457 68.522 -0.065 2
1 283 . 1 1 A 29 29 THR N N 29 116.386 113.882 2.504 2
1 284 . 1 1 A 30 30 THR H H 30 8.106 7.831 0.275 2
1 285 . 1 1 A 30 30 THR HA H 30 3.910 4.003 -0.093 2
1 290 . 1 1 A 30 30 THR C C 30 176.144 176.414 -0.270 2
1 291 . 1 1 A 30 30 THR CA C 30 66.260 65.848 0.412 2
1 292 . 1 1 A 30 30 THR CB C 30 68.792 68.855 -0.063 2
1 294 . 1 1 A 30 30 THR N N 30 117.533 115.983 1.550 2
1 295 . 1 1 A 31 31 HIS H H 31 7.341 7.674 -0.333 2
1 296 . 1 1 A 31 31 HIS HA H 31 4.205 4.278 -0.073 2
1 301 . 1 1 A 31 31 HIS C C 31 176.196 177.228 -1.032 2
1 302 . 1 1 A 31 31 HIS CA C 31 58.919 58.592 0.327 2
1 303 . 1 1 A 31 31 HIS CB C 31 28.268 30.087 -1.819 2
1 306 . 1 1 A 31 31 HIS N N 31 120.815 120.334 0.481 2
1 307 . 1 1 A 32 32 GLN H H 32 8.186 8.037 0.149 2
1 308 . 1 1 A 32 32 GLN HA H 32 3.562 3.946 -0.383 2
1 315 . 1 1 A 32 32 GLN C C 32 177.032 178.430 -1.398 2
1 316 . 1 1 A 32 32 GLN CA C 32 59.582 58.320 1.262 2
1 317 . 1 1 A 32 32 GLN CB C 32 28.457 28.610 -0.153 2
1 319 . 1 1 A 32 32 GLN N N 32 114.261 118.623 -4.362 2
1 321 . 1 1 A 33 33 VAL H H 33 6.965 7.521 -0.556 2
1 322 . 1 1 A 33 33 VAL HA H 33 3.868 3.830 0.038 2
1 330 . 1 1 A 33 33 VAL C C 33 178.168 178.217 -0.049 2
1 331 . 1 1 A 33 33 VAL CA C 33 64.658 65.816 -1.157 2
1 332 . 1 1 A 33 33 VAL CB C 33 31.715 31.619 0.096 2
1 335 . 1 1 A 33 33 VAL N N 33 117.665 120.054 -2.389 2
1 336 . 1 1 A 34 34 ILE H H 34 7.621 7.310 0.311 2
1 337 . 1 1 A 34 34 ILE HA H 34 3.941 3.730 0.211 2
1 347 . 1 1 A 34 34 ILE C C 34 177.076 176.731 0.345 2
1 348 . 1 1 A 34 34 ILE CA C 34 63.207 63.914 -0.707 2
1 349 . 1 1 A 34 34 ILE CB C 34 37.688 37.095 0.593 2
1 353 . 1 1 A 34 34 ILE N N 34 117.372 116.909 0.463 2
1 354 . 1 1 A 35 35 HIS H H 35 7.253 7.713 -0.460 2
1 355 . 1 1 A 35 35 HIS HA H 35 4.908 4.483 0.425 2
1 360 . 1 1 A 35 35 HIS C C 35 175.795 175.411 0.384 2
1 361 . 1 1 A 35 35 HIS CA C 35 54.926 57.465 -2.539 2
1 362 . 1 1 A 35 35 HIS CB C 35 28.529 30.442 -1.913 2
1 365 . 1 1 A 35 35 HIS N N 35 117.505 119.450 -1.945 2
1 366 . 1 1 A 36 36 THR H H 36 7.827 7.616 0.211 2
1 367 . 1 1 A 36 36 THR HA H 36 4.331 4.454 -0.123 2
1 372 . 1 1 A 36 36 THR C C 36 175.532 174.510 1.022 2
1 373 . 1 1 A 36 36 THR CA C 36 63.020 60.916 2.103 2
1 374 . 1 1 A 36 36 THR CB C 36 69.891 69.823 0.068 2
1 376 . 1 1 A 36 36 THR N N 36 112.717 109.671 3.046 2
1 377 . 1 1 A 37 37 GLY H H 37 8.358 8.378 -0.020 2
1 378 . 1 1 A 37 37 GLY HA2 H 37 4.010 4.112 -0.102 2
1 379 . 1 1 A 37 37 GLY HA3 H 37 4.010 4.116 -0.106 2
1 380 . 1 1 A 37 37 GLY C C 37 174.222 173.389 0.833 2
1 381 . 1 1 A 37 37 GLY CA C 37 45.394 45.437 -0.043 2
1 382 . 1 1 A 37 37 GLY N N 37 110.814 110.352 0.462 2
1 383 . 1 1 A 38 38 GLU H H 38 8.119 8.600 -0.481 2
1 384 . 1 1 A 38 38 GLU HA H 38 4.233 4.566 -0.334 2
1 389 . 1 1 A 38 38 GLU C C 38 176.521 175.919 0.602 2
1 390 . 1 1 A 38 38 GLU CA C 38 56.698 56.386 0.312 2
1 391 . 1 1 A 38 38 GLU CB C 38 30.459 30.876 -0.417 2
1 393 . 1 1 A 38 38 GLU N N 38 120.653 122.025 -1.372 2
1 394 . 1 1 A 39 39 LYS H H 39 8.372 8.359 0.013 2
1 395 . 1 1 A 39 39 LYS HA H 39 4.325 4.330 -0.005 2
1 404 . 1 1 A 39 39 LYS C C 39 176.520 176.335 0.185 2
1 405 . 1 1 A 39 39 LYS CA C 39 56.254 56.565 -0.311 2
1 406 . 1 1 A 39 39 LYS CB C 39 32.719 32.923 -0.204 2
1 410 . 1 1 A 39 39 LYS N N 39 122.536 122.683 -0.147 2
1 411 . 1 1 A 40 40 ARG H H 40 8.435 8.451 -0.016 2
1 412 . 1 1 A 40 40 ARG HA H 40 4.407 4.395 0.012 2
1 419 . 1 1 A 40 40 ARG C C 40 176.290 175.816 0.474 2
1 420 . 1 1 A 40 40 ARG CA C 40 56.011 56.380 -0.369 2
1 421 . 1 1 A 40 40 ARG CB C 40 30.978 30.392 0.586 2
1 424 . 1 1 A 40 40 ARG N N 40 122.912 123.650 -0.738 2
1 425 . 1 1 A 41 41 SER H H 41 8.428 8.236 0.192 2
1 426 . 1 1 A 41 41 SER HA H 41 4.507 4.755 -0.248 2
1 429 . 1 1 A 41 41 SER C C 41 174.450 174.387 0.063 2
1 430 . 1 1 A 41 41 SER CA C 41 58.208 58.056 0.152 2
1 431 . 1 1 A 41 41 SER CB C 41 64.046 64.715 -0.669 2
1 432 . 1 1 A 41 41 SER N N 41 117.335 116.252 1.083 2
1 433 . 1 1 A 42 42 GLY H H 42 8.265 8.369 -0.104 2
1 434 . 1 1 A 42 42 GLY HA2 H 42 4.149 4.108 0.041 2
1 435 . 1 1 A 42 42 GLY HA3 H 42 4.115 4.109 0.006 2
1 436 . 1 1 A 42 42 GLY C C 42 171.715 173.574 -1.859 2
1 437 . 1 1 A 42 42 GLY CA C 42 44.661 44.961 -0.300 2
1 438 . 1 1 A 42 42 GLY N N 42 110.713 110.431 0.282 2
1 439 . 1 1 A 43 43 PRO HA H 43 4.476 4.542 -0.066 2
1 446 . 1 1 A 43 43 PRO C C 43 177.405 176.419 0.986 2
1 447 . 1 1 A 43 43 PRO CA C 43 63.215 63.264 -0.049 2
1 448 . 1 1 A 43 43 PRO CB C 43 32.224 31.783 0.441 2
1 451 . 1 1 A 44 44 SER H H 44 8.543 8.232 0.311 2
1 452 . 1 1 A 44 44 SER HA H 44 4.507 4.562 -0.055 2
1 455 . 1 1 A 44 44 SER C C 44 174.588 174.131 0.457 2
1 456 . 1 1 A 44 44 SER CA C 44 58.352 58.252 0.100 2
1 457 . 1 1 A 44 44 SER CB C 44 63.989 64.182 -0.193 2
1 458 . 1 1 A 44 44 SER N N 44 116.402 116.113 0.289 2
1 459 . 1 1 A 45 45 SER H H 45 8.318 8.562 -0.244 2
1 460 . 1 1 A 45 45 SER HA H 45 4.508 4.589 -0.081 2
1 463 . 1 1 A 45 45 SER C C 45 173.887 174.493 -0.606 2
1 464 . 1 1 A 45 45 SER CA C 45 58.286 58.765 -0.479 2
1 465 . 1 1 A 45 45 SER CB C 45 64.037 63.937 0.100 2
1 466 . 1 1 A 45 45 SER N N 45 117.792 118.714 -0.922 2
stop_
save_