data_10254_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10254
_Entry.PDB_ID 2COC
_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 8 8 SER HA H 8 5.012 4.310 0.702 1
1 4 . 1 1 1 A 8 8 SER CA C 8 58.166 59.494 -1.328 1
1 5 . 1 1 1 A 8 8 SER CB C 8 64.582 63.814 0.768 1
1 6 . 1 1 1 A 9 9 LEU H H 9 9.253 8.530 0.723 1
1 7 . 1 1 1 A 9 9 LEU HA H 9 4.091 3.965 0.126 1
1 17 . 1 1 1 A 9 9 LEU C C 9 176.799 176.529 0.270 1
1 18 . 1 1 1 A 9 9 LEU CA C 9 57.523 57.836 -0.313 1
1 19 . 1 1 1 A 9 9 LEU CB C 9 42.703 41.921 0.782 1
1 23 . 1 1 1 A 9 9 LEU N N 9 127.432 126.937 0.495 1
1 24 . 1 1 1 A 10 10 LEU H H 10 6.827 7.797 -0.970 1
1 25 . 1 1 1 A 10 10 LEU HA H 10 4.201 4.584 -0.383 1
1 35 . 1 1 1 A 10 10 LEU C C 10 173.779 174.342 -0.563 1
1 36 . 1 1 1 A 10 10 LEU CA C 10 54.399 54.158 0.241 1
1 37 . 1 1 1 A 10 10 LEU CB C 10 45.006 45.700 -0.694 1
1 41 . 1 1 1 A 10 10 LEU N N 10 116.105 117.310 -1.205 1
1 42 . 1 1 1 A 11 11 CYS H H 11 7.989 8.865 -0.876 1
1 43 . 1 1 1 A 11 11 CYS HA H 11 5.743 5.371 0.372 1
1 46 . 1 1 1 A 11 11 CYS C C 11 172.654 173.224 -0.570 1
1 47 . 1 1 1 A 11 11 CYS CA C 11 55.546 57.245 -1.699 1
1 48 . 1 1 1 A 11 11 CYS CB C 11 31.333 31.092 0.241 1
1 49 . 1 1 1 A 11 11 CYS N N 11 117.939 122.631 -4.692 1
1 50 . 1 1 1 A 12 12 GLY H H 12 8.479 7.367 1.112 1
1 51 . 1 1 1 A 12 12 GLY HA2 H 12 4.419 3.815 0.604 1
1 52 . 1 1 1 A 12 12 GLY HA3 H 12 2.832 4.106 -1.274 1
1 53 . 1 1 1 A 12 12 GLY C C 12 168.720 171.877 -3.157 1
1 54 . 1 1 1 A 12 12 GLY CA C 12 44.710 44.630 0.080 1
1 55 . 1 1 1 A 12 12 GLY N N 12 109.046 106.701 2.345 1
1 56 . 1 1 1 A 13 13 PRO HA H 13 5.163 4.489 0.674 1
1 63 . 1 1 1 A 13 13 PRO C C 13 177.501 175.103 2.398 1
1 64 . 1 1 1 A 13 13 PRO CA C 13 62.182 63.202 -1.020 1
1 65 . 1 1 1 A 13 13 PRO CB C 13 32.587 32.127 0.460 1
1 68 . 1 1 1 A 14 14 LEU H H 14 8.630 8.467 0.163 1
1 69 . 1 1 1 A 14 14 LEU HA H 14 4.764 4.952 -0.188 1
1 79 . 1 1 1 A 14 14 LEU C C 14 175.698 174.442 1.256 1
1 80 . 1 1 1 A 14 14 LEU CA C 14 53.975 52.950 1.025 1
1 81 . 1 1 1 A 14 14 LEU CB C 14 48.936 45.726 3.210 1
1 85 . 1 1 1 A 14 14 LEU N N 14 122.246 123.858 -1.612 1
1 86 . 1 1 1 A 15 15 ARG H H 15 8.498 8.541 -0.043 1
1 87 . 1 1 1 A 15 15 ARG HA H 15 5.421 5.282 0.139 1
1 95 . 1 1 1 A 15 15 ARG C C 15 174.664 174.935 -0.271 1
1 96 . 1 1 1 A 15 15 ARG CA C 15 54.858 54.205 0.653 1
1 97 . 1 1 1 A 15 15 ARG CB C 15 34.085 33.776 0.309 1
1 100 . 1 1 1 A 15 15 ARG N N 15 118.593 123.441 -4.848 1
1 102 . 1 1 1 A 16 16 LEU H H 16 9.244 8.774 0.470 1
1 103 . 1 1 1 A 16 16 LEU HA H 16 5.662 5.554 0.108 1
1 113 . 1 1 1 A 16 16 LEU C C 16 176.872 174.597 2.275 1
1 114 . 1 1 1 A 16 16 LEU CA C 16 53.746 53.569 0.177 1
1 115 . 1 1 1 A 16 16 LEU CB C 16 47.803 46.592 1.211 1
1 119 . 1 1 1 A 16 16 LEU N N 16 123.893 124.540 -0.647 1
1 120 . 1 1 1 A 17 17 SER H H 17 8.982 8.392 0.590 1
1 121 . 1 1 1 A 17 17 SER HA H 17 4.484 5.013 -0.529 1
1 124 . 1 1 1 A 17 17 SER C C 17 173.790 173.099 0.691 1
1 125 . 1 1 1 A 17 17 SER CA C 17 57.081 56.581 0.500 1
1 126 . 1 1 1 A 17 17 SER CB C 17 64.487 64.523 -0.036 1
1 127 . 1 1 1 A 17 17 SER N N 17 117.455 118.646 -1.191 1
1 128 . 1 1 1 A 18 18 GLU H H 18 9.102 8.610 0.492 1
1 129 . 1 1 1 A 18 18 GLU HA H 18 3.832 4.463 -0.631 1
1 134 . 1 1 1 A 18 18 GLU C C 18 176.185 176.776 -0.591 1
1 135 . 1 1 1 A 18 18 GLU CA C 18 58.793 55.452 3.341 1
1 136 . 1 1 1 A 18 18 GLU CB C 18 30.037 29.590 0.447 1
1 138 . 1 1 1 A 18 18 GLU N N 18 129.354 124.458 4.896 1
1 139 . 1 1 1 A 19 19 SER H H 19 7.792 9.173 -1.381 1
1 140 . 1 1 1 A 19 19 SER HA H 19 4.650 4.037 0.613 1
1 143 . 1 1 1 A 19 19 SER C C 19 175.321 173.452 1.869 1
1 144 . 1 1 1 A 19 19 SER CA C 19 57.699 59.034 -1.335 1
1 145 . 1 1 1 A 19 19 SER CB C 19 65.816 61.922 3.894 1
1 146 . 1 1 1 A 19 19 SER N N 19 108.812 120.223 -11.411 1
1 147 . 1 1 1 A 20 20 GLY H H 20 8.376 7.954 0.422 1
1 148 . 1 1 1 A 20 20 GLY HA2 H 20 3.931 3.149 0.782 1
1 149 . 1 1 1 A 20 20 GLY HA3 H 20 2.690 3.472 -0.782 1
1 150 . 1 1 1 A 20 20 GLY C C 20 172.644 174.072 -1.428 1
1 151 . 1 1 1 A 20 20 GLY CA C 20 44.746 46.452 -1.706 1
1 152 . 1 1 1 A 20 20 GLY N N 20 111.458 105.737 5.721 1
1 153 . 1 1 1 A 21 21 GLU H H 21 7.522 7.220 0.302 1
1 154 . 1 1 1 A 21 21 GLU HA H 21 4.274 4.523 -0.249 1
1 159 . 1 1 1 A 21 21 GLU C C 21 176.266 175.378 0.888 1
1 160 . 1 1 1 A 21 21 GLU CA C 21 58.069 57.622 0.447 1
1 161 . 1 1 1 A 21 21 GLU CB C 21 31.024 32.315 -1.291 1
1 163 . 1 1 1 A 21 21 GLU N N 21 119.071 119.338 -0.267 1
1 164 . 1 1 1 A 22 22 THR H H 22 7.436 7.639 -0.203 1
1 165 . 1 1 1 A 22 22 THR HA H 22 4.618 4.732 -0.114 1
1 170 . 1 1 1 A 22 22 THR C C 22 173.662 172.382 1.280 1
1 171 . 1 1 1 A 22 22 THR CA C 22 60.682 59.794 0.888 1
1 172 . 1 1 1 A 22 22 THR CB C 22 70.504 71.145 -0.641 1
1 174 . 1 1 1 A 22 22 THR N N 22 111.176 112.104 -0.928 1
1 175 . 1 1 1 A 23 23 TRP H H 23 9.121 8.929 0.192 1
1 176 . 1 1 1 A 23 23 TRP HA H 23 4.983 5.507 -0.524 1
1 185 . 1 1 1 A 23 23 TRP C C 23 175.888 176.347 -0.459 1
1 186 . 1 1 1 A 23 23 TRP CA C 23 56.570 56.639 -0.069 1
1 187 . 1 1 1 A 23 23 TRP CB C 23 32.176 30.740 1.436 1
1 193 . 1 1 1 A 23 23 TRP N N 23 127.096 129.831 -2.735 1
1 195 . 1 1 1 A 24 24 SER H H 24 9.273 9.192 0.081 1
1 196 . 1 1 1 A 24 24 SER HA H 24 4.948 5.238 -0.290 1
1 199 . 1 1 1 A 24 24 SER C C 24 173.268 172.627 0.641 1
1 200 . 1 1 1 A 24 24 SER CA C 24 57.346 57.455 -0.109 1
1 201 . 1 1 1 A 24 24 SER CB C 24 65.445 66.737 -1.292 1
1 202 . 1 1 1 A 24 24 SER N N 24 118.031 117.028 1.003 1
1 203 . 1 1 1 A 25 25 GLU H H 25 8.990 8.552 0.438 1
1 204 . 1 1 1 A 25 25 GLU HA H 25 4.737 4.702 0.035 1
1 209 . 1 1 1 A 25 25 GLU C C 25 176.246 176.016 0.230 1
1 210 . 1 1 1 A 25 25 GLU CA C 25 57.170 56.071 1.099 1
1 211 . 1 1 1 A 25 25 GLU CB C 25 30.202 30.246 -0.044 1
1 213 . 1 1 1 A 25 25 GLU N N 25 125.088 122.479 2.609 1
1 214 . 1 1 1 A 26 26 VAL H H 26 9.012 8.994 0.018 1
1 215 . 1 1 1 A 26 26 VAL HA H 26 5.002 5.092 -0.090 1
1 223 . 1 1 1 A 26 26 VAL C C 26 174.304 173.499 0.805 1
1 224 . 1 1 1 A 26 26 VAL CA C 26 58.917 59.072 -0.155 1
1 225 . 1 1 1 A 26 26 VAL CB C 26 35.753 36.177 -0.424 1
1 228 . 1 1 1 A 26 26 VAL N N 26 118.076 119.247 -1.171 1
1 229 . 1 1 1 A 27 27 TRP H H 27 8.880 9.174 -0.294 1
1 230 . 1 1 1 A 27 27 TRP HA H 27 4.814 5.537 -0.723 1
1 239 . 1 1 1 A 27 27 TRP C C 27 174.255 174.272 -0.017 1
1 240 . 1 1 1 A 27 27 TRP CA C 27 57.117 55.055 2.062 1
1 241 . 1 1 1 A 27 27 TRP CB C 27 30.325 32.614 -2.289 1
1 247 . 1 1 1 A 27 27 TRP N N 27 122.873 124.852 -1.979 1
1 249 . 1 1 1 A 28 28 ALA H H 28 8.482 8.118 0.364 1
1 250 . 1 1 1 A 28 28 ALA HA H 28 5.329 5.295 0.034 1
1 254 . 1 1 1 A 28 28 ALA C C 28 175.519 175.734 -0.215 1
1 255 . 1 1 1 A 28 28 ALA CA C 28 49.670 50.258 -0.588 1
1 256 . 1 1 1 A 28 28 ALA CB C 28 23.827 21.366 2.461 1
1 257 . 1 1 1 A 28 28 ALA N N 28 133.586 129.696 3.890 1
1 258 . 1 1 1 A 29 29 ALA H H 29 8.948 8.637 0.311 1
1 259 . 1 1 1 A 29 29 ALA HA H 29 5.160 5.404 -0.244 1
1 263 . 1 1 1 A 29 29 ALA C C 29 175.956 176.034 -0.078 1
1 264 . 1 1 1 A 29 29 ALA CA C 29 52.210 51.873 0.337 1
1 265 . 1 1 1 A 29 29 ALA CB C 29 23.697 23.245 0.452 1
1 266 . 1 1 1 A 29 29 ALA N N 29 119.901 123.411 -3.510 1
1 267 . 1 1 1 A 30 30 ILE H H 30 8.245 8.754 -0.509 1
1 268 . 1 1 1 A 30 30 ILE HA H 30 5.313 4.644 0.669 1
1 278 . 1 1 1 A 30 30 ILE C C 30 174.004 174.516 -0.512 1
1 279 . 1 1 1 A 30 30 ILE CA C 30 57.699 57.576 0.123 1
1 280 . 1 1 1 A 30 30 ILE CB C 30 40.565 39.356 1.209 1
1 284 . 1 1 1 A 30 30 ILE N N 30 122.332 120.898 1.434 1
1 285 . 1 1 1 A 31 31 PRO HA H 31 4.655 4.675 -0.020 1
1 292 . 1 1 1 A 31 31 PRO C C 31 177.566 177.966 -0.400 1
1 293 . 1 1 1 A 31 31 PRO CA C 31 62.464 62.384 0.080 1
1 294 . 1 1 1 A 31 31 PRO CB C 31 31.929 31.437 0.492 1
1 297 . 1 1 1 A 32 32 MET H H 32 8.572 8.612 -0.040 1
1 298 . 1 1 1 A 32 32 MET HA H 32 3.997 4.091 -0.094 1
1 306 . 1 1 1 A 32 32 MET C C 32 177.770 178.076 -0.306 1
1 307 . 1 1 1 A 32 32 MET CA C 32 58.158 58.693 -0.535 1
1 308 . 1 1 1 A 32 32 MET CB C 32 31.929 32.350 -0.421 1
1 311 . 1 1 1 A 32 32 MET N N 32 121.580 124.184 -2.604 1
1 312 . 1 1 1 A 33 33 SER H H 33 8.163 8.190 -0.027 1
1 313 . 1 1 1 A 33 33 SER HA H 33 4.213 4.179 0.034 1
1 316 . 1 1 1 A 33 33 SER C C 33 174.424 173.909 0.515 1
1 317 . 1 1 1 A 33 33 SER CA C 33 58.864 61.130 -2.266 1
1 318 . 1 1 1 A 33 33 SER CB C 33 63.225 63.170 0.055 1
1 319 . 1 1 1 A 33 33 SER N N 33 109.218 114.233 -5.015 1
1 320 . 1 1 1 A 34 34 ASP H H 34 7.179 8.244 -1.065 1
1 321 . 1 1 1 A 34 34 ASP HA H 34 4.912 5.086 -0.174 1
1 324 . 1 1 1 A 34 34 ASP C C 34 171.847 174.212 -2.365 1
1 325 . 1 1 1 A 34 34 ASP CA C 34 52.581 51.195 1.386 1
1 326 . 1 1 1 A 34 34 ASP CB C 34 41.223 41.540 -0.317 1
1 327 . 1 1 1 A 34 34 ASP N N 34 120.601 118.342 2.259 1
1 328 . 1 1 1 A 35 35 PRO HA H 35 4.510 4.582 -0.072 1
1 335 . 1 1 1 A 35 35 PRO C C 35 175.635 176.082 -0.447 1
1 336 . 1 1 1 A 35 35 PRO CA C 35 64.511 63.973 0.538 1
1 337 . 1 1 1 A 35 35 PRO CB C 35 31.729 32.201 -0.472 1
1 340 . 1 1 1 A 36 36 GLN H H 36 7.982 8.241 -0.259 1
1 341 . 1 1 1 A 36 36 GLN HA H 36 4.472 4.462 0.010 1
1 348 . 1 1 1 A 36 36 GLN C C 36 174.646 174.826 -0.180 1
1 349 . 1 1 1 A 36 36 GLN CA C 36 55.193 55.873 -0.680 1
1 350 . 1 1 1 A 36 36 GLN CB C 36 29.420 29.622 -0.202 1
1 352 . 1 1 1 A 36 36 GLN N N 36 114.393 117.819 -3.426 1
1 354 . 1 1 1 A 37 37 VAL H H 37 7.878 7.567 0.311 1
1 355 . 1 1 1 A 37 37 VAL HA H 37 4.546 4.933 -0.387 1
1 363 . 1 1 1 A 37 37 VAL C C 37 172.485 172.777 -0.292 1
1 364 . 1 1 1 A 37 37 VAL CA C 37 60.987 60.137 0.850 1
1 365 . 1 1 1 A 37 37 VAL CB C 37 35.218 34.947 0.271 1
1 368 . 1 1 1 A 37 37 VAL N N 37 120.432 119.462 0.970 1
1 369 . 1 1 1 A 38 38 LEU H H 38 7.992 8.805 -0.813 1
1 370 . 1 1 1 A 38 38 LEU HA H 38 4.770 5.218 -0.448 1
1 380 . 1 1 1 A 38 38 LEU C C 38 175.193 175.493 -0.300 1
1 381 . 1 1 1 A 38 38 LEU CA C 38 53.146 53.278 -0.132 1
1 382 . 1 1 1 A 38 38 LEU CB C 38 45.359 44.204 1.155 1
1 386 . 1 1 1 A 38 38 LEU N N 38 123.585 129.445 -5.860 1
1 387 . 1 1 1 A 39 39 HIS H H 39 9.442 8.752 0.690 1
1 388 . 1 1 1 A 39 39 HIS HA H 39 5.212 5.221 -0.009 1
1 393 . 1 1 1 A 39 39 HIS C C 39 175.351 175.581 -0.230 1
1 394 . 1 1 1 A 39 39 HIS CA C 39 55.211 57.030 -1.819 1
1 395 . 1 1 1 A 39 39 HIS CB C 39 32.669 30.886 1.783 1
1 398 . 1 1 1 A 39 39 HIS N N 39 126.949 126.147 0.802 1
1 399 . 1 1 1 A 40 40 LEU H H 40 8.424 8.272 0.152 1
1 400 . 1 1 1 A 40 40 LEU HA H 40 5.082 5.132 -0.050 1
1 410 . 1 1 1 A 40 40 LEU C C 40 176.050 175.534 0.516 1
1 411 . 1 1 1 A 40 40 LEU CA C 40 53.552 53.872 -0.320 1
1 412 . 1 1 1 A 40 40 LEU CB C 40 44.019 45.993 -1.974 1
1 416 . 1 1 1 A 40 40 LEU N N 40 122.395 121.565 0.830 1
1 417 . 1 1 1 A 41 41 GLN H H 41 8.972 9.543 -0.571 1
1 418 . 1 1 1 A 41 41 GLN HA H 41 4.723 5.162 -0.439 1
1 425 . 1 1 1 A 41 41 GLN C C 41 175.453 175.161 0.292 1
1 426 . 1 1 1 A 41 41 GLN CA C 41 54.840 54.129 0.711 1
1 427 . 1 1 1 A 41 41 GLN CB C 41 31.946 31.477 0.469 1
1 429 . 1 1 1 A 41 41 GLN N N 41 121.779 121.904 -0.125 1
1 431 . 1 1 1 A 42 42 GLY H H 42 8.739 9.012 -0.273 1
1 432 . 1 1 1 A 42 42 GLY HA2 H 42 4.252 4.332 -0.080 1
1 433 . 1 1 1 A 42 42 GLY HA3 H 42 4.200 4.361 -0.161 1
1 434 . 1 1 1 A 42 42 GLY C C 42 173.938 174.036 -0.098 1
1 435 . 1 1 1 A 42 42 GLY CA C 42 44.746 44.423 0.323 1
1 436 . 1 1 1 A 42 42 GLY N N 42 112.892 111.903 0.989 1
1 437 . 1 1 1 A 43 43 GLY H H 43 8.709 8.602 0.107 1
1 438 . 1 1 1 A 43 43 GLY HA2 H 43 4.110 4.079 0.031 1
1 439 . 1 1 1 A 43 43 GLY HA3 H 43 3.962 4.084 -0.122 1
1 440 . 1 1 1 A 43 43 GLY C C 43 174.713 174.374 0.339 1
1 441 . 1 1 1 A 43 43 GLY CA C 43 45.346 44.469 0.877 1
1 442 . 1 1 1 A 43 43 GLY N N 43 108.768 111.300 -2.532 1
1 443 . 1 1 1 A 44 44 SER H H 44 8.369 8.488 -0.119 1
1 444 . 1 1 1 A 44 44 SER C C 44 175.312 174.073 1.239 1
1 445 . 1 1 1 A 44 44 SER CA C 44 58.723 57.368 1.355 1
1 446 . 1 1 1 A 44 44 SER CB C 44 63.924 61.118 2.806 1
1 447 . 1 1 1 A 44 44 SER N N 44 115.582 117.359 -1.777 1
1 448 . 1 1 1 A 45 45 GLN HA H 45 4.346 4.605 -0.259 1
1 455 . 1 1 1 A 45 45 GLN C C 45 175.931 175.680 0.251 1
1 456 . 1 1 1 A 45 45 GLN CA C 45 56.358 56.940 -0.582 1
1 457 . 1 1 1 A 45 45 GLN CB C 45 28.392 31.198 -2.806 1
1 460 . 1 1 1 A 46 46 ASP H H 46 8.053 7.683 0.370 1
1 461 . 1 1 1 A 46 46 ASP HA H 46 4.615 5.058 -0.443 1
1 464 . 1 1 1 A 46 46 ASP C C 46 176.998 175.619 1.379 1
1 465 . 1 1 1 A 46 46 ASP CA C 46 54.188 53.617 0.571 1
1 466 . 1 1 1 A 46 46 ASP CB C 46 41.099 44.571 -3.472 1
1 467 . 1 1 1 A 46 46 ASP N N 46 119.460 115.813 3.647 1
1 468 . 1 1 1 A 47 47 GLY H H 47 8.311 8.685 -0.374 1
1 469 . 1 1 1 A 47 47 GLY HA2 H 47 3.970 3.903 0.067 1
1 470 . 1 1 1 A 47 47 GLY HA3 H 47 3.970 3.910 0.060 1
1 471 . 1 1 1 A 47 47 GLY C C 47 174.725 175.479 -0.754 1
1 472 . 1 1 1 A 47 47 GLY CA C 47 45.892 46.492 -0.600 1
1 473 . 1 1 1 A 47 47 GLY N N 47 109.753 111.120 -1.367 1
1 474 . 1 1 1 A 48 48 ARG H H 48 8.300 8.294 0.006 1
1 475 . 1 1 1 A 48 48 ARG HA H 48 4.308 4.040 0.268 1
1 482 . 1 1 1 A 48 48 ARG C C 48 176.347 177.103 -0.756 1
1 483 . 1 1 1 A 48 48 ARG CA C 48 56.782 59.440 -2.658 1
1 484 . 1 1 1 A 48 48 ARG CB C 48 30.654 29.973 0.681 1
1 487 . 1 1 1 A 48 48 ARG N N 48 119.526 121.973 -2.447 1
1 488 . 1 1 1 A 49 49 LEU H H 49 7.682 7.684 -0.002 1
1 489 . 1 1 1 A 49 49 LEU HA H 49 4.252 4.018 0.234 1
1 499 . 1 1 1 A 49 49 LEU C C 49 174.707 174.809 -0.102 1
1 500 . 1 1 1 A 49 49 LEU CA C 49 53.040 53.975 -0.935 1
1 501 . 1 1 1 A 49 49 LEU CB C 49 41.759 41.309 0.450 1
1 505 . 1 1 1 A 49 49 LEU N N 49 121.049 121.173 -0.124 1
1 506 . 1 1 1 A 50 50 PRO HA H 50 4.392 4.696 -0.304 1
1 513 . 1 1 1 A 50 50 PRO C C 50 175.058 176.451 -1.393 1
1 514 . 1 1 1 A 50 50 PRO CA C 50 62.323 62.604 -0.281 1
1 515 . 1 1 1 A 50 50 PRO CB C 50 31.353 32.158 -0.805 1
1 518 . 1 1 1 A 51 51 ARG H H 51 8.295 9.030 -0.735 1
1 519 . 1 1 1 A 51 51 ARG HA H 51 4.511 4.300 0.211 1
1 526 . 1 1 1 A 51 51 ARG C C 51 177.443 175.926 1.517 1
1 527 . 1 1 1 A 51 51 ARG CA C 51 56.728 57.674 -0.946 1
1 528 . 1 1 1 A 51 51 ARG CB C 51 31.194 31.741 -0.547 1
1 531 . 1 1 1 A 51 51 ARG N N 51 119.201 119.831 -0.630 1
1 532 . 1 1 1 A 52 52 THR H H 52 7.372 7.875 -0.503 1
1 533 . 1 1 1 A 52 52 THR HA H 52 4.963 4.710 0.253 1
1 538 . 1 1 1 A 52 52 THR C C 52 173.287 173.039 0.248 1
1 539 . 1 1 1 A 52 52 THR CA C 52 59.411 60.680 -1.269 1
1 540 . 1 1 1 A 52 52 THR CB C 52 71.632 70.886 0.746 1
1 542 . 1 1 1 A 52 52 THR N N 52 109.591 109.957 -0.366 1
1 543 . 1 1 1 A 53 53 ILE H H 53 8.742 8.664 0.078 1
1 544 . 1 1 1 A 53 53 ILE HA H 53 3.845 4.554 -0.709 1
1 554 . 1 1 1 A 53 53 ILE C C 53 173.374 174.779 -1.405 1
1 555 . 1 1 1 A 53 53 ILE CA C 53 57.735 57.479 0.256 1
1 556 . 1 1 1 A 53 53 ILE CB C 53 41.196 38.819 2.377 1
1 560 . 1 1 1 A 53 53 ILE N N 53 123.236 126.786 -3.550 1
1 561 . 1 1 1 A 54 54 PRO HA H 54 4.541 4.635 -0.094 1
1 568 . 1 1 1 A 54 54 PRO CA C 54 61.292 62.114 -0.822 1
1 569 . 1 1 1 A 54 54 PRO CB C 54 30.119 29.730 0.389 1
1 572 . 1 1 1 A 55 55 LEU H H 55 8.146 7.943 0.203 1
1 573 . 1 1 1 A 55 55 LEU HA H 55 4.262 3.805 0.457 1
1 583 . 1 1 1 A 55 55 LEU CA C 55 58.660 59.265 -0.605 1
1 584 . 1 1 1 A 55 55 LEU CB C 55 39.660 39.591 0.069 1
1 588 . 1 1 1 A 55 55 LEU N N 55 127.224 123.950 3.274 1
1 589 . 1 1 1 A 56 56 PRO HA H 56 4.630 4.306 0.324 1
1 596 . 1 1 1 A 56 56 PRO C C 56 177.498 177.140 0.358 1
1 597 . 1 1 1 A 56 56 PRO CA C 56 65.782 66.043 -0.261 1
1 598 . 1 1 1 A 56 56 PRO CB C 56 31.188 30.840 0.348 1
1 601 . 1 1 1 A 57 57 SER H H 57 7.722 8.411 -0.689 1
1 602 . 1 1 1 A 57 57 SER HA H 57 4.723 4.715 0.008 1
1 605 . 1 1 1 A 57 57 SER C C 57 174.102 172.696 1.406 1
1 606 . 1 1 1 A 57 57 SER CA C 57 58.423 57.790 0.633 1
1 607 . 1 1 1 A 57 57 SER CB C 57 63.924 63.848 0.076 1
1 608 . 1 1 1 A 57 57 SER N N 57 110.169 111.845 -1.676 1
1 609 . 1 1 1 A 58 58 CYS H H 58 8.002 8.059 -0.057 1
1 610 . 1 1 1 A 58 58 CYS HA H 58 5.282 5.225 0.057 1
1 613 . 1 1 1 A 58 58 CYS C C 58 174.525 173.327 1.198 1
1 614 . 1 1 1 A 58 58 CYS CA C 58 59.447 57.491 1.956 1
1 615 . 1 1 1 A 58 58 CYS CB C 58 29.594 31.212 -1.618 1
1 616 . 1 1 1 A 58 58 CYS N N 58 118.902 121.138 -2.236 1
1 617 . 1 1 1 A 59 59 LYS H H 59 9.242 8.359 0.883 1
1 618 . 1 1 1 A 59 59 LYS HA H 59 4.777 4.881 -0.104 1
1 627 . 1 1 1 A 59 59 LYS C C 59 175.947 175.442 0.505 1
1 628 . 1 1 1 A 59 59 LYS CA C 59 55.299 55.204 0.095 1
1 629 . 1 1 1 A 59 59 LYS CB C 59 34.561 33.893 0.668 1
1 633 . 1 1 1 A 59 59 LYS N N 59 122.306 125.255 -2.949 1
1 634 . 1 1 1 A 60 60 LEU H H 60 9.030 9.073 -0.043 1
1 635 . 1 1 1 A 60 60 LEU HA H 60 5.543 4.955 0.588 1
1 645 . 1 1 1 A 60 60 LEU C C 60 176.239 175.779 0.460 1
1 646 . 1 1 1 A 60 60 LEU CA C 60 53.958 53.786 0.172 1
1 647 . 1 1 1 A 60 60 LEU CB C 60 44.454 41.411 3.043 1
1 651 . 1 1 1 A 60 60 LEU N N 60 129.520 125.933 3.587 1
1 652 . 1 1 1 A 61 61 SER H H 61 9.077 9.163 -0.086 1
1 653 . 1 1 1 A 61 61 SER HA H 61 4.832 5.121 -0.289 1
1 656 . 1 1 1 A 61 61 SER C C 61 172.173 173.233 -1.060 1
1 657 . 1 1 1 A 61 61 SER CA C 61 57.558 57.767 -0.209 1
1 658 . 1 1 1 A 61 61 SER CB C 61 65.692 65.007 0.685 1
1 659 . 1 1 1 A 61 61 SER N N 61 117.374 122.862 -5.488 1
1 660 . 1 1 1 A 62 62 VAL H H 62 8.784 8.811 -0.027 1
1 661 . 1 1 1 A 62 62 VAL HA H 62 4.927 4.564 0.363 1
1 669 . 1 1 1 A 62 62 VAL C C 62 174.367 175.035 -0.668 1
1 670 . 1 1 1 A 62 62 VAL CA C 62 59.782 60.071 -0.289 1
1 671 . 1 1 1 A 62 62 VAL CB C 62 33.518 32.074 1.444 1
1 674 . 1 1 1 A 62 62 VAL N N 62 119.929 126.857 -6.928 1
1 675 . 1 1 1 A 63 63 PRO HA H 63 4.495 4.591 -0.096 1
1 682 . 1 1 1 A 63 63 PRO CA C 63 62.526 62.490 0.036 1
1 683 . 1 1 1 A 63 63 PRO CB C 63 32.504 32.339 0.165 1
1 686 . 1 1 1 A 64 64 ASP H H 64 8.762 8.635 0.127 1
1 687 . 1 1 1 A 64 64 ASP HA H 64 4.780 4.722 0.058 1
1 690 . 1 1 1 A 64 64 ASP CA C 64 53.231 52.813 0.418 1
1 691 . 1 1 1 A 64 64 ASP CB C 64 41.105 40.099 1.006 1
1 692 . 1 1 1 A 64 64 ASP N N 64 123.527 121.118 2.409 1
1 693 . 1 1 1 A 65 65 PRO HA H 65 4.371 4.535 -0.164 1
1 700 . 1 1 1 A 65 65 PRO C C 65 178.309 178.096 0.213 1
1 701 . 1 1 1 A 65 65 PRO CA C 65 64.829 64.394 0.435 1
1 702 . 1 1 1 A 65 65 PRO CB C 65 32.136 31.927 0.209 1
1 705 . 1 1 1 A 66 66 GLU H H 66 8.890 8.651 0.239 1
1 706 . 1 1 1 A 66 66 GLU HA H 66 4.129 4.068 0.061 1
1 711 . 1 1 1 A 66 66 GLU C C 66 177.222 177.489 -0.267 1
1 712 . 1 1 1 A 66 66 GLU CA C 66 57.805 59.459 -1.654 1
1 713 . 1 1 1 A 66 66 GLU CB C 66 29.334 29.068 0.266 1
1 715 . 1 1 1 A 66 66 GLU N N 66 117.225 117.846 -0.621 1
1 716 . 1 1 1 A 67 67 GLU H H 67 7.971 7.941 0.030 1
1 717 . 1 1 1 A 67 67 GLU HA H 67 4.136 4.374 -0.238 1
1 722 . 1 1 1 A 67 67 GLU C C 67 176.058 176.944 -0.886 1
1 723 . 1 1 1 A 67 67 GLU CA C 67 57.328 56.834 0.494 1
1 724 . 1 1 1 A 67 67 GLU CB C 67 29.594 30.676 -1.082 1
1 726 . 1 1 1 A 67 67 GLU N N 67 119.516 118.838 0.678 1
1 727 . 1 1 1 A 68 68 ARG H H 68 8.020 8.539 -0.519 1
1 728 . 1 1 1 A 68 68 ARG HA H 68 4.043 4.549 -0.506 1
1 735 . 1 1 1 A 68 68 ARG C C 68 175.591 175.567 0.024 1
1 736 . 1 1 1 A 68 68 ARG CA C 68 56.075 55.306 0.769 1
1 737 . 1 1 1 A 68 68 ARG CB C 68 28.927 29.933 -1.006 1
1 740 . 1 1 1 A 68 68 ARG N N 68 118.917 120.847 -1.930 1
1 741 . 1 1 1 A 69 69 LEU H H 69 8.188 7.175 1.013 1
1 742 . 1 1 1 A 69 69 LEU HA H 69 4.372 4.522 -0.150 1
1 752 . 1 1 1 A 69 69 LEU C C 69 176.013 177.720 -1.707 1
1 753 . 1 1 1 A 69 69 LEU CA C 69 54.682 54.678 0.004 1
1 754 . 1 1 1 A 69 69 LEU CB C 69 43.238 42.485 0.753 1
1 758 . 1 1 1 A 69 69 LEU N N 69 122.935 121.560 1.375 1
1 759 . 1 1 1 A 70 70 ASP H H 70 8.382 8.525 -0.143 1
1 760 . 1 1 1 A 70 70 ASP HA H 70 4.123 4.472 -0.349 1
1 763 . 1 1 1 A 70 70 ASP C C 70 175.200 175.652 -0.452 1
1 764 . 1 1 1 A 70 70 ASP CA C 70 54.558 55.577 -1.019 1
1 765 . 1 1 1 A 70 70 ASP CB C 70 40.634 41.203 -0.569 1
1 766 . 1 1 1 A 70 70 ASP N N 70 119.400 122.250 -2.850 1
1 767 . 1 1 1 A 71 71 SER H H 71 7.391 7.290 0.101 1
1 768 . 1 1 1 A 71 71 SER HA H 71 4.233 4.399 -0.166 1
1 771 . 1 1 1 A 71 71 SER C C 71 174.294 174.584 -0.290 1
1 772 . 1 1 1 A 71 71 SER CA C 71 58.017 57.479 0.538 1
1 773 . 1 1 1 A 71 71 SER CB C 71 63.430 65.008 -1.578 1
1 774 . 1 1 1 A 71 71 SER N N 71 114.807 113.117 1.690 1
1 775 . 1 1 1 A 72 72 GLY H H 72 7.981 8.359 -0.378 1
1 776 . 1 1 1 A 72 72 GLY HA2 H 72 3.702 3.618 0.084 1
1 777 . 1 1 1 A 72 72 GLY HA3 H 72 3.610 3.712 -0.102 1
1 778 . 1 1 1 A 72 72 GLY C C 72 172.912 173.956 -1.044 1
1 779 . 1 1 1 A 72 72 GLY CA C 72 44.675 46.524 -1.849 1
1 780 . 1 1 1 A 72 72 GLY N N 72 108.675 111.996 -3.321 1
1 781 . 1 1 1 A 73 73 HIS H H 73 8.462 7.972 0.490 1
1 782 . 1 1 1 A 73 73 HIS HA H 73 4.859 5.152 -0.293 1
1 787 . 1 1 1 A 73 73 HIS C C 73 174.804 174.187 0.617 1
1 788 . 1 1 1 A 73 73 HIS CA C 73 54.700 54.946 -0.246 1
1 789 . 1 1 1 A 73 73 HIS CB C 73 28.762 30.359 -1.597 1
1 792 . 1 1 1 A 73 73 HIS N N 73 122.843 117.702 5.141 1
1 793 . 1 1 1 A 74 74 VAL H H 74 7.682 8.777 -1.095 1
1 794 . 1 1 1 A 74 74 VAL HA H 74 5.402 4.686 0.716 1
1 802 . 1 1 1 A 74 74 VAL C C 74 176.121 173.711 2.410 1
1 803 . 1 1 1 A 74 74 VAL CA C 74 61.246 60.283 0.963 1
1 804 . 1 1 1 A 74 74 VAL CB C 74 35.383 35.734 -0.351 1
1 807 . 1 1 1 A 74 74 VAL N N 74 120.824 121.698 -0.874 1
1 808 . 1 1 1 A 75 75 TRP H H 75 9.581 8.297 1.284 1
1 809 . 1 1 1 A 75 75 TRP HA H 75 5.342 5.888 -0.546 1
1 818 . 1 1 1 A 75 75 TRP C C 75 171.123 173.441 -2.318 1
1 819 . 1 1 1 A 75 75 TRP CA C 75 57.046 54.691 2.355 1
1 820 . 1 1 1 A 75 75 TRP CB C 75 32.834 33.080 -0.246 1
1 826 . 1 1 1 A 75 75 TRP N N 75 124.656 124.906 -0.250 1
1 828 . 1 1 1 A 76 76 LYS H H 76 9.557 9.211 0.346 1
1 829 . 1 1 1 A 76 76 LYS HA H 76 5.192 4.589 0.603 1
1 838 . 1 1 1 A 76 76 LYS C C 76 174.801 174.763 0.038 1
1 839 . 1 1 1 A 76 76 LYS CA C 76 54.876 54.759 0.117 1
1 840 . 1 1 1 A 76 76 LYS CB C 76 36.740 34.236 2.504 1
1 844 . 1 1 1 A 76 76 LYS N N 76 121.724 120.901 0.823 1
1 845 . 1 1 1 A 77 77 LEU H H 77 8.957 8.629 0.328 1
1 846 . 1 1 1 A 77 77 LEU HA H 77 5.272 5.308 -0.036 1
1 856 . 1 1 1 A 77 77 LEU C C 77 174.927 175.008 -0.081 1
1 857 . 1 1 1 A 77 77 LEU CA C 77 54.046 54.094 -0.048 1
1 858 . 1 1 1 A 77 77 LEU CB C 77 46.281 45.159 1.122 1
1 862 . 1 1 1 A 77 77 LEU N N 77 124.578 125.286 -0.708 1
1 863 . 1 1 1 A 78 78 GLN H H 78 8.629 8.672 -0.043 1
1 864 . 1 1 1 A 78 78 GLN HA H 78 5.308 5.407 -0.099 1
1 871 . 1 1 1 A 78 78 GLN C C 78 174.564 174.808 -0.244 1
1 872 . 1 1 1 A 78 78 GLN CA C 78 54.452 54.373 0.079 1
1 873 . 1 1 1 A 78 78 GLN CB C 78 32.833 31.559 1.274 1
1 875 . 1 1 1 A 78 78 GLN N N 78 121.344 125.579 -4.235 1
1 877 . 1 1 1 A 79 79 TRP H H 79 8.601 8.565 0.036 1
1 878 . 1 1 1 A 79 79 TRP HA H 79 5.003 4.989 0.014 1
1 887 . 1 1 1 A 79 79 TRP C C 79 173.001 174.099 -1.098 1
1 888 . 1 1 1 A 79 79 TRP CA C 79 56.323 56.699 -0.376 1
1 889 . 1 1 1 A 79 79 TRP CB C 79 32.258 31.473 0.785 1
1 895 . 1 1 1 A 79 79 TRP N N 79 128.274 123.631 4.643 1
1 897 . 1 1 1 A 80 80 ALA H H 80 9.181 9.320 -0.139 1
1 898 . 1 1 1 A 80 80 ALA HA H 80 3.933 3.920 0.013 1
1 902 . 1 1 1 A 80 80 ALA C C 80 177.360 176.300 1.060 1
1 903 . 1 1 1 A 80 80 ALA CA C 80 54.222 53.227 0.995 1
1 904 . 1 1 1 A 80 80 ALA CB C 80 17.329 17.236 0.093 1
1 905 . 1 1 1 A 80 80 ALA N N 80 126.348 121.591 4.757 1
1 906 . 1 1 1 A 81 81 LYS H H 81 8.163 8.405 -0.242 1
1 907 . 1 1 1 A 81 81 LYS HA H 81 4.290 3.726 0.564 1
1 916 . 1 1 1 A 81 81 LYS C C 81 176.068 174.710 1.358 1
1 917 . 1 1 1 A 81 81 LYS CA C 81 56.305 57.401 -1.096 1
1 918 . 1 1 1 A 81 81 LYS CB C 81 31.312 29.456 1.856 1
1 922 . 1 1 1 A 81 81 LYS N N 81 120.289 107.400 12.889 1
1 923 . 1 1 1 A 82 82 GLN H H 82 8.423 7.571 0.852 1
1 924 . 1 1 1 A 82 82 GLN HA H 82 4.255 4.733 -0.478 1
1 931 . 1 1 1 A 82 82 GLN C C 82 174.996 174.104 0.892 1
1 932 . 1 1 1 A 82 82 GLN CA C 82 54.805 53.736 1.069 1
1 933 . 1 1 1 A 82 82 GLN CB C 82 30.942 32.282 -1.340 1
1 935 . 1 1 1 A 82 82 GLN N N 82 119.918 116.358 3.560 1
1 937 . 1 1 1 A 83 83 SER H H 83 7.683 8.208 -0.525 1
1 938 . 1 1 1 A 83 83 SER HA H 83 4.991 5.447 -0.456 1
1 941 . 1 1 1 A 83 83 SER C C 83 171.947 172.613 -0.666 1
1 942 . 1 1 1 A 83 83 SER CA C 83 57.629 57.506 0.123 1
1 943 . 1 1 1 A 83 83 SER CB C 83 64.664 65.481 -0.817 1
1 944 . 1 1 1 A 83 83 SER N N 83 115.649 112.459 3.190 1
1 945 . 1 1 1 A 84 84 TRP H H 84 8.665 9.065 -0.400 1
1 946 . 1 1 1 A 84 84 TRP HA H 84 4.714 5.378 -0.664 1
1 955 . 1 1 1 A 84 84 TRP C C 84 174.105 174.815 -0.710 1
1 956 . 1 1 1 A 84 84 TRP CA C 84 56.834 55.840 0.994 1
1 957 . 1 1 1 A 84 84 TRP CB C 84 33.368 34.124 -0.756 1
1 963 . 1 1 1 A 84 84 TRP N N 84 122.334 124.267 -1.933 1
1 965 . 1 1 1 A 85 85 TYR H H 85 9.220 8.985 0.235 1
1 966 . 1 1 1 A 85 85 TYR HA H 85 5.209 5.190 0.019 1
1 973 . 1 1 1 A 85 85 TYR C C 85 175.136 174.953 0.183 1
1 974 . 1 1 1 A 85 85 TYR CA C 85 56.993 56.118 0.875 1
1 975 . 1 1 1 A 85 85 TYR CB C 85 41.058 41.442 -0.384 1
1 980 . 1 1 1 A 85 85 TYR N N 85 117.934 119.308 -1.374 1
1 981 . 1 1 1 A 86 86 LEU H H 86 8.662 8.697 -0.035 1
1 982 . 1 1 1 A 86 86 LEU HA H 86 5.172 4.672 0.500 1
1 992 . 1 1 1 A 86 86 LEU C C 86 174.454 175.613 -1.159 1
1 993 . 1 1 1 A 86 86 LEU CA C 86 53.587 53.059 0.528 1
1 994 . 1 1 1 A 86 86 LEU CB C 86 43.773 42.655 1.118 1
1 998 . 1 1 1 A 86 86 LEU N N 86 121.945 124.251 -2.306 1
1 999 . 1 1 1 A 87 87 SER H H 87 8.642 8.732 -0.090 1
1 1000 . 1 1 1 A 87 87 SER HA H 87 4.995 4.810 0.185 1
1 1003 . 1 1 1 A 87 87 SER C C 87 173.683 173.663 0.020 1
1 1004 . 1 1 1 A 87 87 SER CA C 87 55.052 56.588 -1.536 1
1 1005 . 1 1 1 A 87 87 SER CB C 87 65.487 64.828 0.659 1
1 1006 . 1 1 1 A 87 87 SER N N 87 111.719 120.282 -8.563 1
1 1007 . 1 1 1 A 88 88 ALA H H 88 8.472 8.765 -0.293 1
1 1008 . 1 1 1 A 88 88 ALA HA H 88 5.184 4.867 0.317 1
1 1012 . 1 1 1 A 88 88 ALA C C 88 178.012 178.206 -0.194 1
1 1013 . 1 1 1 A 88 88 ALA CA C 88 49.423 50.265 -0.842 1
1 1014 . 1 1 1 A 88 88 ALA CB C 88 22.919 22.770 0.149 1
1 1015 . 1 1 1 A 88 88 ALA N N 88 126.939 123.375 3.564 1
1 1016 . 1 1 1 A 89 89 SER H H 89 8.182 8.858 -0.676 1
1 1017 . 1 1 1 A 89 89 SER HA H 89 4.274 4.262 0.012 1
1 1020 . 1 1 1 A 89 89 SER C C 89 174.039 173.989 0.050 1
1 1021 . 1 1 1 A 89 89 SER CA C 89 60.135 61.661 -1.526 1
1 1022 . 1 1 1 A 89 89 SER CB C 89 63.571 63.335 0.236 1
1 1023 . 1 1 1 A 89 89 SER N N 89 111.359 116.632 -5.273 1
1 1024 . 1 1 1 A 90 90 SER H H 90 7.392 7.859 -0.467 1
1 1025 . 1 1 1 A 90 90 SER HA H 90 4.383 4.076 0.307 1
1 1028 . 1 1 1 A 90 90 SER C C 90 173.114 173.892 -0.778 1
1 1029 . 1 1 1 A 90 90 SER CA C 90 56.023 56.853 -0.830 1
1 1030 . 1 1 1 A 90 90 SER CB C 90 67.108 64.956 2.152 1
1 1031 . 1 1 1 A 90 90 SER N N 90 113.112 109.746 3.366 1
1 1032 . 1 1 1 A 91 91 ALA H H 91 8.532 8.012 0.520 1
1 1033 . 1 1 1 A 91 91 ALA HA H 91 3.763 4.053 -0.290 1
1 1037 . 1 1 1 A 91 91 ALA C C 91 179.816 179.606 0.210 1
1 1038 . 1 1 1 A 91 91 ALA CA C 91 54.699 55.349 -0.650 1
1 1039 . 1 1 1 A 91 91 ALA CB C 91 18.111 18.142 -0.031 1
1 1040 . 1 1 1 A 91 91 ALA N N 91 123.767 123.580 0.187 1
1 1041 . 1 1 1 A 92 92 GLU H H 92 8.766 8.053 0.713 1
1 1042 . 1 1 1 A 92 92 GLU HA H 92 3.942 3.950 -0.008 1
1 1047 . 1 1 1 A 92 92 GLU C C 92 179.568 179.130 0.438 1
1 1048 . 1 1 1 A 92 92 GLU CA C 92 60.206 59.439 0.767 1
1 1049 . 1 1 1 A 92 92 GLU CB C 92 28.721 29.168 -0.447 1
1 1051 . 1 1 1 A 92 92 GLU N N 92 118.712 118.517 0.195 1
1 1052 . 1 1 1 A 93 93 LEU H H 93 7.852 8.045 -0.193 1
1 1053 . 1 1 1 A 93 93 LEU HA H 93 4.274 4.506 -0.232 1
1 1063 . 1 1 1 A 93 93 LEU C C 93 178.805 178.681 0.124 1
1 1064 . 1 1 1 A 93 93 LEU CA C 93 57.382 57.355 0.027 1
1 1065 . 1 1 1 A 93 93 LEU CB C 93 43.115 41.282 1.833 1
1 1069 . 1 1 1 A 93 93 LEU N N 93 121.212 121.654 -0.442 1
1 1070 . 1 1 1 A 94 94 GLN H H 94 8.080 8.751 -0.671 1
1 1071 . 1 1 1 A 94 94 GLN HA H 94 3.843 4.270 -0.427 1
1 1078 . 1 1 1 A 94 94 GLN C C 94 176.960 178.086 -1.126 1
1 1079 . 1 1 1 A 94 94 GLN CA C 94 59.694 59.112 0.582 1
1 1080 . 1 1 1 A 94 94 GLN CB C 94 28.063 28.636 -0.573 1
1 1082 . 1 1 1 A 94 94 GLN N N 94 120.439 119.237 1.202 1
1 1084 . 1 1 1 A 95 95 GLN H H 95 8.293 7.908 0.385 1
1 1085 . 1 1 1 A 95 95 GLN HA H 95 3.779 4.063 -0.284 1
1 1092 . 1 1 1 A 95 95 GLN C C 95 177.938 178.501 -0.563 1
1 1093 . 1 1 1 A 95 95 GLN CA C 95 59.005 58.796 0.209 1
1 1094 . 1 1 1 A 95 95 GLN CB C 95 27.610 28.610 -1.000 1
1 1096 . 1 1 1 A 95 95 GLN N N 95 117.408 118.738 -1.330 1
1 1098 . 1 1 1 A 96 96 GLN H H 96 7.731 7.953 -0.222 1
1 1099 . 1 1 1 A 96 96 GLN HA H 96 3.966 3.994 -0.028 1
1 1106 . 1 1 1 A 96 96 GLN C C 96 179.685 177.552 2.133 1
1 1107 . 1 1 1 A 96 96 GLN CA C 96 58.987 58.058 0.929 1
1 1108 . 1 1 1 A 96 96 GLN CB C 96 28.433 28.029 0.404 1
1 1110 . 1 1 1 A 96 96 GLN N N 96 119.621 117.240 2.381 1
1 1112 . 1 1 1 A 97 97 TRP H H 97 8.410 7.320 1.090 1
1 1113 . 1 1 1 A 97 97 TRP HA H 97 3.792 4.377 -0.585 1
1 1122 . 1 1 1 A 97 97 TRP C C 97 178.515 178.746 -0.231 1
1 1123 . 1 1 1 A 97 97 TRP CA C 97 61.670 59.538 2.132 1
1 1124 . 1 1 1 A 97 97 TRP CB C 97 29.972 30.038 -0.066 1
1 1130 . 1 1 1 A 97 97 TRP N N 97 121.370 120.219 1.151 1
1 1132 . 1 1 1 A 98 98 LEU H H 98 8.505 8.157 0.348 1
1 1133 . 1 1 1 A 98 98 LEU HA H 98 3.485 3.479 0.006 1
1 1143 . 1 1 1 A 98 98 LEU C C 98 180.194 178.773 1.421 1
1 1144 . 1 1 1 A 98 98 LEU CA C 98 58.706 57.935 0.771 1
1 1145 . 1 1 1 A 98 98 LEU CB C 98 41.141 41.376 -0.235 1
1 1149 . 1 1 1 A 98 98 LEU N N 98 119.038 119.918 -0.880 1
1 1150 . 1 1 1 A 99 99 GLU H H 99 8.241 8.367 -0.126 1
1 1151 . 1 1 1 A 99 99 GLU HA H 99 3.927 3.952 -0.025 1
1 1156 . 1 1 1 A 99 99 GLU C C 99 179.082 178.860 0.222 1
1 1157 . 1 1 1 A 99 99 GLU CA C 99 59.587 59.261 0.326 1
1 1158 . 1 1 1 A 99 99 GLU CB C 99 29.296 29.445 -0.149 1
1 1160 . 1 1 1 A 99 99 GLU N N 99 119.886 117.232 2.654 1
1 1161 . 1 1 1 A 100 100 THR H H 100 7.780 7.610 0.170 1
1 1162 . 1 1 1 A 100 100 THR HA H 100 3.862 3.861 0.001 1
1 1167 . 1 1 1 A 100 100 THR C C 100 176.899 176.572 0.327 1
1 1168 . 1 1 1 A 100 100 THR CA C 100 67.088 66.664 0.424 1
1 1169 . 1 1 1 A 100 100 THR CB C 100 68.178 68.435 -0.257 1
1 1171 . 1 1 1 A 100 100 THR N N 100 116.913 114.831 2.082 1
1 1172 . 1 1 1 A 101 101 LEU H H 101 9.159 7.955 1.204 1
1 1173 . 1 1 1 A 101 101 LEU HA H 101 3.993 3.785 0.208 1
1 1183 . 1 1 1 A 101 101 LEU C C 101 178.416 178.682 -0.266 1
1 1184 . 1 1 1 A 101 101 LEU CA C 101 58.017 58.251 -0.234 1
1 1185 . 1 1 1 A 101 101 LEU CB C 101 42.004 41.694 0.310 1
1 1189 . 1 1 1 A 101 101 LEU N N 101 121.065 121.386 -0.321 1
1 1190 . 1 1 1 A 102 102 SER H H 102 7.978 8.290 -0.312 1
1 1191 . 1 1 1 A 102 102 SER HA H 102 4.094 3.885 0.209 1
1 1194 . 1 1 1 A 102 102 SER C C 102 176.370 176.978 -0.608 1
1 1195 . 1 1 1 A 102 102 SER CA C 102 61.794 61.592 0.202 1
1 1196 . 1 1 1 A 102 102 SER CB C 102 62.855 62.934 -0.079 1
1 1197 . 1 1 1 A 102 102 SER N N 102 112.923 113.171 -0.248 1
1 1198 . 1 1 1 A 103 103 THR H H 103 7.683 8.628 -0.945 1
1 1199 . 1 1 1 A 103 103 THR HA H 103 4.020 3.913 0.107 1
1 1204 . 1 1 1 A 103 103 THR C C 103 176.061 176.677 -0.616 1
1 1205 . 1 1 1 A 103 103 THR CA C 103 65.412 66.469 -1.057 1
1 1206 . 1 1 1 A 103 103 THR CB C 103 68.918 68.794 0.124 1
1 1208 . 1 1 1 A 103 103 THR N N 103 116.420 116.605 -0.185 1
1 1209 . 1 1 1 A 104 104 ALA H H 104 7.760 7.991 -0.231 1
1 1210 . 1 1 1 A 104 104 ALA HA H 104 4.272 4.000 0.272 1
1 1214 . 1 1 1 A 104 104 ALA C C 104 178.160 179.672 -1.512 1
1 1215 . 1 1 1 A 104 104 ALA CA C 104 54.011 55.273 -1.262 1
1 1216 . 1 1 1 A 104 104 ALA CB C 104 20.155 18.367 1.788 1
1 1217 . 1 1 1 A 104 104 ALA N N 104 123.981 122.799 1.182 1
1 1218 . 1 1 1 A 105 105 ALA H H 105 7.824 8.006 -0.182 1
1 1219 . 1 1 1 A 105 105 ALA HA H 105 4.092 4.033 0.059 1
1 1223 . 1 1 1 A 105 105 ALA C C 105 177.657 178.151 -0.494 1
1 1224 . 1 1 1 A 105 105 ALA CA C 105 53.058 55.580 -2.522 1
1 1225 . 1 1 1 A 105 105 ALA CB C 105 19.067 18.919 0.148 1
1 1226 . 1 1 1 A 105 105 ALA N N 105 118.227 119.498 -1.271 1
1 1227 . 1 1 1 A 106 106 HIS H H 106 7.675 8.004 -0.329 1
1 1228 . 1 1 1 A 106 106 HIS HA H 106 4.703 4.773 -0.070 1
1 1233 . 1 1 1 A 106 106 HIS C C 106 175.296 174.733 0.563 1
1 1234 . 1 1 1 A 106 106 HIS CA C 106 56.287 54.918 1.369 1
1 1235 . 1 1 1 A 106 106 HIS CB C 106 30.407 28.599 1.808 1
1 1238 . 1 1 1 A 106 106 HIS N N 106 115.860 115.543 0.317 1
1 1239 . 1 1 1 A 107 107 SER H H 107 8.015 8.835 -0.820 1
1 1240 . 1 1 1 A 107 107 SER HA H 107 4.560 4.471 0.089 1
1 1243 . 1 1 1 A 107 107 SER C C 107 174.345 174.167 0.178 1
1 1244 . 1 1 1 A 107 107 SER CA C 107 58.546 58.310 0.236 1
1 1245 . 1 1 1 A 107 107 SER CB C 107 64.130 64.046 0.084 1
1 1246 . 1 1 1 A 107 107 SER N N 107 116.310 120.641 -4.331 1
1 1247 . 1 1 1 A 108 108 GLY H H 108 8.282 8.452 -0.170 1
1 1248 . 1 1 1 A 108 108 GLY HA2 H 108 4.213 4.035 0.178 1
1 1249 . 1 1 1 A 108 108 GLY HA3 H 108 4.042 4.035 0.007 1
1 1250 . 1 1 1 A 108 108 GLY C C 108 171.750 174.015 -2.265 1
1 1251 . 1 1 1 A 108 108 GLY CA C 108 44.640 45.367 -0.727 1
1 1252 . 1 1 1 A 108 108 GLY N N 108 110.511 113.986 -3.475 1
1 1253 . 1 1 1 A 109 109 PRO HA H 109 4.497 4.485 0.012 1
1 1260 . 1 1 1 A 109 109 PRO C C 109 177.419 176.172 1.247 1
1 1261 . 1 1 1 A 109 109 PRO CA C 109 63.241 62.413 0.828 1
1 1262 . 1 1 1 A 109 109 PRO CB C 109 32.264 32.535 -0.271 1
1 1265 . 1 1 1 A 110 110 SER H H 110 8.558 8.424 0.134 1
1 1266 . 1 1 1 A 110 110 SER C C 110 174.715 173.265 1.450 1
1 1267 . 1 1 1 A 110 110 SER CA C 110 58.335 58.043 0.292 1
1 1268 . 1 1 1 A 110 110 SER CB C 110 63.759 62.631 1.128 1
1 1269 . 1 1 1 A 110 110 SER N N 110 116.470 117.891 -1.421 1
1 1270 . 1 1 1 A 111 111 SER H H 111 8.357 8.312 0.045 1
1 1271 . 1 1 1 A 111 111 SER C C 111 173.931 173.818 0.113 1
1 1272 . 1 1 1 A 111 111 SER CA C 111 58.335 57.306 1.029 1
1 1 . 2 1 1 A 8 8 SER HA H 8 5.012 4.834 0.178 1
1 4 . 2 1 1 A 8 8 SER CA C 8 58.166 57.572 0.594 1
1 5 . 2 1 1 A 8 8 SER CB C 8 64.582 65.465 -0.883 1
1 6 . 2 1 1 A 9 9 LEU H H 9 9.253 8.000 1.253 1
1 7 . 2 1 1 A 9 9 LEU HA H 9 4.091 4.039 0.052 1
1 17 . 2 1 1 A 9 9 LEU C C 9 176.799 176.739 0.060 1
1 18 . 2 1 1 A 9 9 LEU CA C 9 57.523 57.431 0.092 1
1 19 . 2 1 1 A 9 9 LEU CB C 9 42.703 42.289 0.414 1
1 23 . 2 1 1 A 9 9 LEU N N 9 127.432 127.005 0.427 1
1 24 . 2 1 1 A 10 10 LEU H H 10 6.827 7.880 -1.053 1
1 25 . 2 1 1 A 10 10 LEU HA H 10 4.201 4.607 -0.406 1
1 35 . 2 1 1 A 10 10 LEU C C 10 173.779 174.554 -0.775 1
1 36 . 2 1 1 A 10 10 LEU CA C 10 54.399 54.141 0.258 1
1 37 . 2 1 1 A 10 10 LEU CB C 10 45.006 45.644 -0.638 1
1 41 . 2 1 1 A 10 10 LEU N N 10 116.105 117.734 -1.629 1
1 42 . 2 1 1 A 11 11 CYS H H 11 7.989 8.930 -0.941 1
1 43 . 2 1 1 A 11 11 CYS HA H 11 5.743 5.237 0.506 1
1 46 . 2 1 1 A 11 11 CYS C C 11 172.654 173.198 -0.544 1
1 47 . 2 1 1 A 11 11 CYS CA C 11 55.546 57.250 -1.704 1
1 48 . 2 1 1 A 11 11 CYS CB C 11 31.333 31.348 -0.015 1
1 49 . 2 1 1 A 11 11 CYS N N 11 117.939 123.132 -5.193 1
1 50 . 2 1 1 A 12 12 GLY H H 12 8.479 7.323 1.156 1
1 51 . 2 1 1 A 12 12 GLY HA2 H 12 4.419 3.860 0.559 1
1 52 . 2 1 1 A 12 12 GLY HA3 H 12 2.832 4.125 -1.293 1
1 53 . 2 1 1 A 12 12 GLY C C 12 168.720 171.806 -3.086 1
1 54 . 2 1 1 A 12 12 GLY CA C 12 44.710 44.743 -0.033 1
1 55 . 2 1 1 A 12 12 GLY N N 12 109.046 106.738 2.308 1
1 56 . 2 1 1 A 13 13 PRO HA H 13 5.163 4.523 0.640 1
1 63 . 2 1 1 A 13 13 PRO C C 13 177.501 175.154 2.347 1
1 64 . 2 1 1 A 13 13 PRO CA C 13 62.182 63.212 -1.030 1
1 65 . 2 1 1 A 13 13 PRO CB C 13 32.587 32.180 0.407 1
1 68 . 2 1 1 A 14 14 LEU H H 14 8.630 8.425 0.205 1
1 69 . 2 1 1 A 14 14 LEU HA H 14 4.764 4.932 -0.168 1
1 79 . 2 1 1 A 14 14 LEU C C 14 175.698 174.467 1.231 1
1 80 . 2 1 1 A 14 14 LEU CA C 14 53.975 52.952 1.023 1
1 81 . 2 1 1 A 14 14 LEU CB C 14 48.936 46.065 2.871 1
1 85 . 2 1 1 A 14 14 LEU N N 14 122.246 123.851 -1.605 1
1 86 . 2 1 1 A 15 15 ARG H H 15 8.498 8.012 0.486 1
1 87 . 2 1 1 A 15 15 ARG HA H 15 5.421 5.228 0.193 1
1 95 . 2 1 1 A 15 15 ARG C C 15 174.664 175.199 -0.535 1
1 96 . 2 1 1 A 15 15 ARG CA C 15 54.858 54.333 0.525 1
1 97 . 2 1 1 A 15 15 ARG CB C 15 34.085 33.785 0.300 1
1 100 . 2 1 1 A 15 15 ARG N N 15 118.593 123.843 -5.250 1
1 102 . 2 1 1 A 16 16 LEU H H 16 9.244 8.534 0.710 1
1 103 . 2 1 1 A 16 16 LEU HA H 16 5.662 5.473 0.189 1
1 113 . 2 1 1 A 16 16 LEU C C 16 176.872 174.762 2.110 1
1 114 . 2 1 1 A 16 16 LEU CA C 16 53.746 54.049 -0.303 1
1 115 . 2 1 1 A 16 16 LEU CB C 16 47.803 46.039 1.764 1
1 119 . 2 1 1 A 16 16 LEU N N 16 123.893 124.578 -0.685 1
1 120 . 2 1 1 A 17 17 SER H H 17 8.982 8.429 0.553 1
1 121 . 2 1 1 A 17 17 SER HA H 17 4.484 5.382 -0.898 1
1 124 . 2 1 1 A 17 17 SER C C 17 173.790 173.298 0.492 1
1 125 . 2 1 1 A 17 17 SER CA C 17 57.081 56.187 0.894 1
1 126 . 2 1 1 A 17 17 SER CB C 17 64.487 64.636 -0.149 1
1 127 . 2 1 1 A 17 17 SER N N 17 117.455 119.434 -1.979 1
1 128 . 2 1 1 A 18 18 GLU H H 18 9.102 8.599 0.503 1
1 129 . 2 1 1 A 18 18 GLU HA H 18 3.832 4.521 -0.689 1
1 134 . 2 1 1 A 18 18 GLU C C 18 176.185 176.226 -0.041 1
1 135 . 2 1 1 A 18 18 GLU CA C 18 58.793 55.310 3.483 1
1 136 . 2 1 1 A 18 18 GLU CB C 18 30.037 29.518 0.519 1
1 138 . 2 1 1 A 18 18 GLU N N 18 129.354 123.834 5.520 1
1 139 . 2 1 1 A 19 19 SER H H 19 7.792 9.241 -1.449 1
1 140 . 2 1 1 A 19 19 SER HA H 19 4.650 4.210 0.440 1
1 143 . 2 1 1 A 19 19 SER C C 19 175.321 173.968 1.353 1
1 144 . 2 1 1 A 19 19 SER CA C 19 57.699 59.194 -1.495 1
1 145 . 2 1 1 A 19 19 SER CB C 19 65.816 61.745 4.071 1
1 146 . 2 1 1 A 19 19 SER N N 19 108.812 121.581 -12.769 1
1 147 . 2 1 1 A 20 20 GLY H H 20 8.376 8.034 0.342 1
1 148 . 2 1 1 A 20 20 GLY HA2 H 20 3.931 3.197 0.734 1
1 149 . 2 1 1 A 20 20 GLY HA3 H 20 2.690 3.540 -0.850 1
1 150 . 2 1 1 A 20 20 GLY C C 20 172.644 174.068 -1.424 1
1 151 . 2 1 1 A 20 20 GLY CA C 20 44.746 46.556 -1.810 1
1 152 . 2 1 1 A 20 20 GLY N N 20 111.458 105.284 6.174 1
1 153 . 2 1 1 A 21 21 GLU H H 21 7.522 7.400 0.122 1
1 154 . 2 1 1 A 21 21 GLU HA H 21 4.274 4.544 -0.270 1
1 159 . 2 1 1 A 21 21 GLU C C 21 176.266 175.643 0.623 1
1 160 . 2 1 1 A 21 21 GLU CA C 21 58.069 57.535 0.534 1
1 161 . 2 1 1 A 21 21 GLU CB C 21 31.024 32.427 -1.403 1
1 163 . 2 1 1 A 21 21 GLU N N 21 119.071 118.729 0.342 1
1 164 . 2 1 1 A 22 22 THR H H 22 7.436 7.350 0.086 1
1 165 . 2 1 1 A 22 22 THR HA H 22 4.618 4.666 -0.048 1
1 170 . 2 1 1 A 22 22 THR C C 22 173.662 172.990 0.672 1
1 171 . 2 1 1 A 22 22 THR CA C 22 60.682 60.535 0.147 1
1 172 . 2 1 1 A 22 22 THR CB C 22 70.504 71.084 -0.580 1
1 174 . 2 1 1 A 22 22 THR N N 22 111.176 108.806 2.370 1
1 175 . 2 1 1 A 23 23 TRP H H 23 9.121 8.978 0.143 1
1 176 . 2 1 1 A 23 23 TRP HA H 23 4.983 5.358 -0.375 1
1 185 . 2 1 1 A 23 23 TRP C C 23 175.888 175.891 -0.003 1
1 186 . 2 1 1 A 23 23 TRP CA C 23 56.570 56.516 0.054 1
1 187 . 2 1 1 A 23 23 TRP CB C 23 32.176 31.183 0.993 1
1 193 . 2 1 1 A 23 23 TRP N N 23 127.096 126.539 0.557 1
1 195 . 2 1 1 A 24 24 SER H H 24 9.273 8.619 0.654 1
1 196 . 2 1 1 A 24 24 SER HA H 24 4.948 5.237 -0.289 1
1 199 . 2 1 1 A 24 24 SER C C 24 173.268 172.220 1.048 1
1 200 . 2 1 1 A 24 24 SER CA C 24 57.346 57.628 -0.282 1
1 201 . 2 1 1 A 24 24 SER CB C 24 65.445 66.845 -1.400 1
1 202 . 2 1 1 A 24 24 SER N N 24 118.031 116.563 1.468 1
1 203 . 2 1 1 A 25 25 GLU H H 25 8.990 8.676 0.314 1
1 204 . 2 1 1 A 25 25 GLU HA H 25 4.737 4.753 -0.016 1
1 209 . 2 1 1 A 25 25 GLU C C 25 176.246 176.401 -0.155 1
1 210 . 2 1 1 A 25 25 GLU CA C 25 57.170 56.169 1.001 1
1 211 . 2 1 1 A 25 25 GLU CB C 25 30.202 30.860 -0.658 1
1 213 . 2 1 1 A 25 25 GLU N N 25 125.088 123.488 1.600 1
1 214 . 2 1 1 A 26 26 VAL H H 26 9.012 8.818 0.194 1
1 215 . 2 1 1 A 26 26 VAL HA H 26 5.002 5.195 -0.193 1
1 223 . 2 1 1 A 26 26 VAL C C 26 174.304 173.592 0.712 1
1 224 . 2 1 1 A 26 26 VAL CA C 26 58.917 58.856 0.061 1
1 225 . 2 1 1 A 26 26 VAL CB C 26 35.753 36.157 -0.404 1
1 228 . 2 1 1 A 26 26 VAL N N 26 118.076 119.919 -1.843 1
1 229 . 2 1 1 A 27 27 TRP H H 27 8.880 8.384 0.496 1
1 230 . 2 1 1 A 27 27 TRP HA H 27 4.814 5.499 -0.685 1
1 239 . 2 1 1 A 27 27 TRP C C 27 174.255 174.059 0.196 1
1 240 . 2 1 1 A 27 27 TRP CA C 27 57.117 54.886 2.231 1
1 241 . 2 1 1 A 27 27 TRP CB C 27 30.325 32.799 -2.474 1
1 247 . 2 1 1 A 27 27 TRP N N 27 122.873 125.089 -2.216 1
1 249 . 2 1 1 A 28 28 ALA H H 28 8.482 8.092 0.390 1
1 250 . 2 1 1 A 28 28 ALA HA H 28 5.329 5.328 0.001 1
1 254 . 2 1 1 A 28 28 ALA C C 28 175.519 175.712 -0.193 1
1 255 . 2 1 1 A 28 28 ALA CA C 28 49.670 50.164 -0.494 1
1 256 . 2 1 1 A 28 28 ALA CB C 28 23.827 22.073 1.754 1
1 257 . 2 1 1 A 28 28 ALA N N 28 133.586 129.869 3.717 1
1 258 . 2 1 1 A 29 29 ALA H H 29 8.948 8.679 0.269 1
1 259 . 2 1 1 A 29 29 ALA HA H 29 5.160 5.139 0.021 1
1 263 . 2 1 1 A 29 29 ALA C C 29 175.956 175.882 0.074 1
1 264 . 2 1 1 A 29 29 ALA CA C 29 52.210 51.879 0.331 1
1 265 . 2 1 1 A 29 29 ALA CB C 29 23.697 22.897 0.800 1
1 266 . 2 1 1 A 29 29 ALA N N 29 119.901 122.905 -3.004 1
1 267 . 2 1 1 A 30 30 ILE H H 30 8.245 8.832 -0.587 1
1 268 . 2 1 1 A 30 30 ILE HA H 30 5.313 4.668 0.645 1
1 278 . 2 1 1 A 30 30 ILE C C 30 174.004 174.609 -0.605 1
1 279 . 2 1 1 A 30 30 ILE CA C 30 57.699 57.968 -0.269 1
1 280 . 2 1 1 A 30 30 ILE CB C 30 40.565 38.059 2.506 1
1 284 . 2 1 1 A 30 30 ILE N N 30 122.332 122.456 -0.124 1
1 285 . 2 1 1 A 31 31 PRO HA H 31 4.655 4.674 -0.019 1
1 292 . 2 1 1 A 31 31 PRO C C 31 177.566 177.955 -0.389 1
1 293 . 2 1 1 A 31 31 PRO CA C 31 62.464 62.465 -0.001 1
1 294 . 2 1 1 A 31 31 PRO CB C 31 31.929 31.522 0.407 1
1 297 . 2 1 1 A 32 32 MET H H 32 8.572 8.632 -0.060 1
1 298 . 2 1 1 A 32 32 MET HA H 32 3.997 4.113 -0.116 1
1 306 . 2 1 1 A 32 32 MET C C 32 177.770 178.547 -0.777 1
1 307 . 2 1 1 A 32 32 MET CA C 32 58.158 58.809 -0.651 1
1 308 . 2 1 1 A 32 32 MET CB C 32 31.929 32.185 -0.256 1
1 311 . 2 1 1 A 32 32 MET N N 32 121.580 124.421 -2.841 1
1 312 . 2 1 1 A 33 33 SER H H 33 8.163 8.247 -0.084 1
1 313 . 2 1 1 A 33 33 SER HA H 33 4.213 4.258 -0.045 1
1 316 . 2 1 1 A 33 33 SER C C 33 174.424 174.330 0.094 1
1 317 . 2 1 1 A 33 33 SER CA C 33 58.864 61.421 -2.557 1
1 318 . 2 1 1 A 33 33 SER CB C 33 63.225 63.124 0.101 1
1 319 . 2 1 1 A 33 33 SER N N 33 109.218 115.887 -6.669 1
1 320 . 2 1 1 A 34 34 ASP H H 34 7.179 7.852 -0.673 1
1 321 . 2 1 1 A 34 34 ASP HA H 34 4.912 5.067 -0.155 1
1 324 . 2 1 1 A 34 34 ASP C C 34 171.847 174.214 -2.367 1
1 325 . 2 1 1 A 34 34 ASP CA C 34 52.581 51.189 1.392 1
1 326 . 2 1 1 A 34 34 ASP CB C 34 41.223 41.387 -0.164 1
1 327 . 2 1 1 A 34 34 ASP N N 34 120.601 120.168 0.433 1
1 328 . 2 1 1 A 35 35 PRO HA H 35 4.510 4.547 -0.037 1
1 335 . 2 1 1 A 35 35 PRO C C 35 175.635 176.027 -0.392 1
1 336 . 2 1 1 A 35 35 PRO CA C 35 64.511 63.984 0.527 1
1 337 . 2 1 1 A 35 35 PRO CB C 35 31.729 32.178 -0.449 1
1 340 . 2 1 1 A 36 36 GLN H H 36 7.982 8.334 -0.352 1
1 341 . 2 1 1 A 36 36 GLN HA H 36 4.472 4.451 0.021 1
1 348 . 2 1 1 A 36 36 GLN C C 36 174.646 174.878 -0.232 1
1 349 . 2 1 1 A 36 36 GLN CA C 36 55.193 55.878 -0.685 1
1 350 . 2 1 1 A 36 36 GLN CB C 36 29.420 29.634 -0.214 1
1 352 . 2 1 1 A 36 36 GLN N N 36 114.393 117.916 -3.523 1
1 354 . 2 1 1 A 37 37 VAL H H 37 7.878 7.662 0.216 1
1 355 . 2 1 1 A 37 37 VAL HA H 37 4.546 4.757 -0.211 1
1 363 . 2 1 1 A 37 37 VAL C C 37 172.485 172.860 -0.375 1
1 364 . 2 1 1 A 37 37 VAL CA C 37 60.987 60.389 0.598 1
1 365 . 2 1 1 A 37 37 VAL CB C 37 35.218 34.637 0.581 1
1 368 . 2 1 1 A 37 37 VAL N N 37 120.432 119.624 0.808 1
1 369 . 2 1 1 A 38 38 LEU H H 38 7.992 8.820 -0.828 1
1 370 . 2 1 1 A 38 38 LEU HA H 38 4.770 5.269 -0.499 1
1 380 . 2 1 1 A 38 38 LEU C C 38 175.193 175.214 -0.021 1
1 381 . 2 1 1 A 38 38 LEU CA C 38 53.146 53.127 0.019 1
1 382 . 2 1 1 A 38 38 LEU CB C 38 45.359 44.563 0.796 1
1 386 . 2 1 1 A 38 38 LEU N N 38 123.585 129.391 -5.806 1
1 387 . 2 1 1 A 39 39 HIS H H 39 9.442 8.806 0.636 1
1 388 . 2 1 1 A 39 39 HIS HA H 39 5.212 5.057 0.155 1
1 393 . 2 1 1 A 39 39 HIS C C 39 175.351 175.501 -0.150 1
1 394 . 2 1 1 A 39 39 HIS CA C 39 55.211 56.592 -1.381 1
1 395 . 2 1 1 A 39 39 HIS CB C 39 32.669 30.997 1.672 1
1 398 . 2 1 1 A 39 39 HIS N N 39 126.949 126.369 0.580 1
1 399 . 2 1 1 A 40 40 LEU H H 40 8.424 8.294 0.130 1
1 400 . 2 1 1 A 40 40 LEU HA H 40 5.082 5.044 0.038 1
1 410 . 2 1 1 A 40 40 LEU C C 40 176.050 175.756 0.294 1
1 411 . 2 1 1 A 40 40 LEU CA C 40 53.552 53.472 0.080 1
1 412 . 2 1 1 A 40 40 LEU CB C 40 44.019 45.395 -1.376 1
1 416 . 2 1 1 A 40 40 LEU N N 40 122.395 121.152 1.243 1
1 417 . 2 1 1 A 41 41 GLN H H 41 8.972 9.406 -0.434 1
1 418 . 2 1 1 A 41 41 GLN HA H 41 4.723 4.936 -0.213 1
1 425 . 2 1 1 A 41 41 GLN C C 41 175.453 174.691 0.762 1
1 426 . 2 1 1 A 41 41 GLN CA C 41 54.840 54.598 0.242 1
1 427 . 2 1 1 A 41 41 GLN CB C 41 31.946 30.586 1.360 1
1 429 . 2 1 1 A 41 41 GLN N N 41 121.779 122.773 -0.994 1
1 431 . 2 1 1 A 42 42 GLY H H 42 8.739 8.840 -0.101 1
1 432 . 2 1 1 A 42 42 GLY HA2 H 42 4.252 4.384 -0.132 1
1 433 . 2 1 1 A 42 42 GLY HA3 H 42 4.200 4.410 -0.210 1
1 434 . 2 1 1 A 42 42 GLY C C 42 173.938 172.865 1.073 1
1 435 . 2 1 1 A 42 42 GLY CA C 42 44.746 44.454 0.292 1
1 436 . 2 1 1 A 42 42 GLY N N 42 112.892 113.782 -0.890 1
1 437 . 2 1 1 A 43 43 GLY H H 43 8.709 8.580 0.129 1
1 438 . 2 1 1 A 43 43 GLY HA2 H 43 4.110 4.301 -0.191 1
1 439 . 2 1 1 A 43 43 GLY HA3 H 43 3.962 4.302 -0.340 1
1 440 . 2 1 1 A 43 43 GLY C C 43 174.713 172.165 2.548 1
1 441 . 2 1 1 A 43 43 GLY CA C 43 45.346 44.983 0.363 1
1 442 . 2 1 1 A 43 43 GLY N N 43 108.768 108.848 -0.080 1
1 443 . 2 1 1 A 44 44 SER H H 44 8.369 8.626 -0.257 1
1 444 . 2 1 1 A 44 44 SER C C 44 175.312 174.534 0.778 1
1 445 . 2 1 1 A 44 44 SER CA C 44 58.723 57.123 1.600 1
1 446 . 2 1 1 A 44 44 SER CB C 44 63.924 66.097 -2.173 1
1 447 . 2 1 1 A 44 44 SER N N 44 115.582 117.794 -2.212 1
1 448 . 2 1 1 A 45 45 GLN HA H 45 4.346 4.138 0.208 1
1 455 . 2 1 1 A 45 45 GLN C C 45 175.931 175.780 0.151 1
1 456 . 2 1 1 A 45 45 GLN CA C 45 56.358 59.519 -3.161 1
1 457 . 2 1 1 A 45 45 GLN CB C 45 28.392 28.978 -0.586 1
1 460 . 2 1 1 A 46 46 ASP H H 46 8.053 7.930 0.123 1
1 461 . 2 1 1 A 46 46 ASP HA H 46 4.615 4.980 -0.365 1
1 464 . 2 1 1 A 46 46 ASP C C 46 176.998 177.053 -0.055 1
1 465 . 2 1 1 A 46 46 ASP CA C 46 54.188 53.098 1.090 1
1 466 . 2 1 1 A 46 46 ASP CB C 46 41.099 42.404 -1.305 1
1 467 . 2 1 1 A 46 46 ASP N N 46 119.460 118.851 0.609 1
1 468 . 2 1 1 A 47 47 GLY H H 47 8.311 8.873 -0.562 1
1 469 . 2 1 1 A 47 47 GLY HA2 H 47 3.970 3.903 0.067 1
1 470 . 2 1 1 A 47 47 GLY HA3 H 47 3.970 3.905 0.065 1
1 471 . 2 1 1 A 47 47 GLY C C 47 174.725 175.217 -0.492 1
1 472 . 2 1 1 A 47 47 GLY CA C 47 45.892 46.719 -0.827 1
1 473 . 2 1 1 A 47 47 GLY N N 47 109.753 113.104 -3.351 1
1 474 . 2 1 1 A 48 48 ARG H H 48 8.300 7.658 0.642 1
1 475 . 2 1 1 A 48 48 ARG HA H 48 4.308 4.131 0.177 1
1 482 . 2 1 1 A 48 48 ARG C C 48 176.347 177.424 -1.077 1
1 483 . 2 1 1 A 48 48 ARG CA C 48 56.782 59.155 -2.373 1
1 484 . 2 1 1 A 48 48 ARG CB C 48 30.654 30.271 0.383 1
1 487 . 2 1 1 A 48 48 ARG N N 48 119.526 119.043 0.483 1
1 488 . 2 1 1 A 49 49 LEU H H 49 7.682 7.647 0.035 1
1 489 . 2 1 1 A 49 49 LEU HA H 49 4.252 4.038 0.214 1
1 499 . 2 1 1 A 49 49 LEU C C 49 174.707 175.295 -0.588 1
1 500 . 2 1 1 A 49 49 LEU CA C 49 53.040 53.509 -0.469 1
1 501 . 2 1 1 A 49 49 LEU CB C 49 41.759 42.200 -0.441 1
1 505 . 2 1 1 A 49 49 LEU N N 49 121.049 121.430 -0.381 1
1 506 . 2 1 1 A 50 50 PRO HA H 50 4.392 4.449 -0.057 1
1 513 . 2 1 1 A 50 50 PRO C C 50 175.058 177.637 -2.579 1
1 514 . 2 1 1 A 50 50 PRO CA C 50 62.323 63.336 -1.013 1
1 515 . 2 1 1 A 50 50 PRO CB C 50 31.353 32.360 -1.007 1
1 518 . 2 1 1 A 51 51 ARG H H 51 8.295 8.981 -0.686 1
1 519 . 2 1 1 A 51 51 ARG HA H 51 4.511 4.254 0.257 1
1 526 . 2 1 1 A 51 51 ARG C C 51 177.443 176.262 1.181 1
1 527 . 2 1 1 A 51 51 ARG CA C 51 56.728 58.802 -2.074 1
1 528 . 2 1 1 A 51 51 ARG CB C 51 31.194 31.177 0.017 1
1 531 . 2 1 1 A 51 51 ARG N N 51 119.201 121.272 -2.071 1
1 532 . 2 1 1 A 52 52 THR H H 52 7.372 7.769 -0.397 1
1 533 . 2 1 1 A 52 52 THR HA H 52 4.963 4.617 0.346 1
1 538 . 2 1 1 A 52 52 THR C C 52 173.287 173.580 -0.293 1
1 539 . 2 1 1 A 52 52 THR CA C 52 59.411 60.510 -1.099 1
1 540 . 2 1 1 A 52 52 THR CB C 52 71.632 70.627 1.005 1
1 542 . 2 1 1 A 52 52 THR N N 52 109.591 110.082 -0.491 1
1 543 . 2 1 1 A 53 53 ILE H H 53 8.742 8.676 0.066 1
1 544 . 2 1 1 A 53 53 ILE HA H 53 3.845 4.537 -0.692 1
1 554 . 2 1 1 A 53 53 ILE C C 53 173.374 174.480 -1.106 1
1 555 . 2 1 1 A 53 53 ILE CA C 53 57.735 57.391 0.344 1
1 556 . 2 1 1 A 53 53 ILE CB C 53 41.196 39.108 2.088 1
1 560 . 2 1 1 A 53 53 ILE N N 53 123.236 126.021 -2.785 1
1 561 . 2 1 1 A 54 54 PRO HA H 54 4.541 4.623 -0.082 1
1 568 . 2 1 1 A 54 54 PRO CA C 54 61.292 62.401 -1.109 1
1 569 . 2 1 1 A 54 54 PRO CB C 54 30.119 31.555 -1.436 1
1 572 . 2 1 1 A 55 55 LEU H H 55 8.146 7.991 0.155 1
1 573 . 2 1 1 A 55 55 LEU HA H 55 4.262 3.856 0.406 1
1 583 . 2 1 1 A 55 55 LEU CA C 55 58.660 59.070 -0.410 1
1 584 . 2 1 1 A 55 55 LEU CB C 55 39.660 39.532 0.128 1
1 588 . 2 1 1 A 55 55 LEU N N 55 127.224 123.595 3.629 1
1 589 . 2 1 1 A 56 56 PRO HA H 56 4.630 4.776 -0.146 1
1 596 . 2 1 1 A 56 56 PRO C C 56 177.498 177.475 0.023 1
1 597 . 2 1 1 A 56 56 PRO CA C 56 65.782 65.154 0.628 1
1 598 . 2 1 1 A 56 56 PRO CB C 56 31.188 31.629 -0.441 1
1 601 . 2 1 1 A 57 57 SER H H 57 7.722 8.018 -0.296 1
1 602 . 2 1 1 A 57 57 SER HA H 57 4.723 4.662 0.061 1
1 605 . 2 1 1 A 57 57 SER C C 57 174.102 174.362 -0.260 1
1 606 . 2 1 1 A 57 57 SER CA C 57 58.423 58.931 -0.508 1
1 607 . 2 1 1 A 57 57 SER CB C 57 63.924 65.541 -1.617 1
1 608 . 2 1 1 A 57 57 SER N N 57 110.169 111.314 -1.145 1
1 609 . 2 1 1 A 58 58 CYS H H 58 8.002 7.482 0.520 1
1 610 . 2 1 1 A 58 58 CYS HA H 58 5.282 4.450 0.832 1
1 613 . 2 1 1 A 58 58 CYS C C 58 174.525 174.406 0.119 1
1 614 . 2 1 1 A 58 58 CYS CA C 58 59.447 60.009 -0.562 1
1 615 . 2 1 1 A 58 58 CYS CB C 58 29.594 27.939 1.655 1
1 616 . 2 1 1 A 58 58 CYS N N 58 118.902 119.570 -0.668 1
1 617 . 2 1 1 A 59 59 LYS H H 59 9.242 8.740 0.502 1
1 618 . 2 1 1 A 59 59 LYS HA H 59 4.777 4.775 0.002 1
1 627 . 2 1 1 A 59 59 LYS C C 59 175.947 175.112 0.835 1
1 628 . 2 1 1 A 59 59 LYS CA C 59 55.299 54.725 0.574 1
1 629 . 2 1 1 A 59 59 LYS CB C 59 34.561 33.781 0.780 1
1 633 . 2 1 1 A 59 59 LYS N N 59 122.306 125.439 -3.133 1
1 634 . 2 1 1 A 60 60 LEU H H 60 9.030 9.035 -0.005 1
1 635 . 2 1 1 A 60 60 LEU HA H 60 5.543 4.716 0.827 1
1 645 . 2 1 1 A 60 60 LEU C C 60 176.239 176.020 0.219 1
1 646 . 2 1 1 A 60 60 LEU CA C 60 53.958 54.880 -0.922 1
1 647 . 2 1 1 A 60 60 LEU CB C 60 44.454 42.459 1.995 1
1 651 . 2 1 1 A 60 60 LEU N N 60 129.520 129.272 0.248 1
1 652 . 2 1 1 A 61 61 SER H H 61 9.077 8.664 0.413 1
1 653 . 2 1 1 A 61 61 SER HA H 61 4.832 5.160 -0.328 1
1 656 . 2 1 1 A 61 61 SER C C 61 172.173 172.856 -0.683 1
1 657 . 2 1 1 A 61 61 SER CA C 61 57.558 57.712 -0.154 1
1 658 . 2 1 1 A 61 61 SER CB C 61 65.692 65.585 0.107 1
1 659 . 2 1 1 A 61 61 SER N N 61 117.374 122.082 -4.708 1
1 660 . 2 1 1 A 62 62 VAL H H 62 8.784 8.921 -0.137 1
1 661 . 2 1 1 A 62 62 VAL HA H 62 4.927 4.613 0.314 1
1 669 . 2 1 1 A 62 62 VAL C C 62 174.367 174.571 -0.204 1
1 670 . 2 1 1 A 62 62 VAL CA C 62 59.782 60.472 -0.690 1
1 671 . 2 1 1 A 62 62 VAL CB C 62 33.518 31.995 1.523 1
1 674 . 2 1 1 A 62 62 VAL N N 62 119.929 126.928 -6.999 1
1 675 . 2 1 1 A 63 63 PRO HA H 63 4.495 4.664 -0.169 1
1 682 . 2 1 1 A 63 63 PRO CA C 63 62.526 62.330 0.196 1
1 683 . 2 1 1 A 63 63 PRO CB C 63 32.504 32.393 0.111 1
1 686 . 2 1 1 A 64 64 ASP H H 64 8.762 8.737 0.025 1
1 687 . 2 1 1 A 64 64 ASP HA H 64 4.780 5.030 -0.250 1
1 690 . 2 1 1 A 64 64 ASP CA C 64 53.231 52.354 0.877 1
1 691 . 2 1 1 A 64 64 ASP CB C 64 41.105 40.515 0.590 1
1 692 . 2 1 1 A 64 64 ASP N N 64 123.527 120.699 2.828 1
1 693 . 2 1 1 A 65 65 PRO HA H 65 4.371 4.313 0.058 1
1 700 . 2 1 1 A 65 65 PRO C C 65 178.309 178.187 0.122 1
1 701 . 2 1 1 A 65 65 PRO CA C 65 64.829 65.593 -0.764 1
1 702 . 2 1 1 A 65 65 PRO CB C 65 32.136 31.871 0.265 1
1 705 . 2 1 1 A 66 66 GLU H H 66 8.890 9.109 -0.219 1
1 706 . 2 1 1 A 66 66 GLU HA H 66 4.129 4.076 0.053 1
1 711 . 2 1 1 A 66 66 GLU C C 66 177.222 178.762 -1.540 1
1 712 . 2 1 1 A 66 66 GLU CA C 66 57.805 59.131 -1.326 1
1 713 . 2 1 1 A 66 66 GLU CB C 66 29.334 28.689 0.645 1
1 715 . 2 1 1 A 66 66 GLU N N 66 117.225 116.783 0.442 1
1 716 . 2 1 1 A 67 67 GLU H H 67 7.971 8.210 -0.239 1
1 717 . 2 1 1 A 67 67 GLU HA H 67 4.136 4.084 0.052 1
1 722 . 2 1 1 A 67 67 GLU C C 67 176.058 176.460 -0.402 1
1 723 . 2 1 1 A 67 67 GLU CA C 67 57.328 59.190 -1.862 1
1 724 . 2 1 1 A 67 67 GLU CB C 67 29.594 29.671 -0.077 1
1 726 . 2 1 1 A 67 67 GLU N N 67 119.516 119.273 0.243 1
1 727 . 2 1 1 A 68 68 ARG H H 68 8.020 7.866 0.154 1
1 728 . 2 1 1 A 68 68 ARG HA H 68 4.043 3.811 0.232 1
1 735 . 2 1 1 A 68 68 ARG C C 68 175.591 175.546 0.045 1
1 736 . 2 1 1 A 68 68 ARG CA C 68 56.075 56.913 -0.838 1
1 737 . 2 1 1 A 68 68 ARG CB C 68 28.927 27.351 1.576 1
1 740 . 2 1 1 A 68 68 ARG N N 68 118.917 116.782 2.135 1
1 741 . 2 1 1 A 69 69 LEU H H 69 8.188 7.901 0.287 1
1 742 . 2 1 1 A 69 69 LEU HA H 69 4.372 4.412 -0.040 1
1 752 . 2 1 1 A 69 69 LEU C C 69 176.013 177.969 -1.956 1
1 753 . 2 1 1 A 69 69 LEU CA C 69 54.682 54.627 0.055 1
1 754 . 2 1 1 A 69 69 LEU CB C 69 43.238 42.827 0.411 1
1 758 . 2 1 1 A 69 69 LEU N N 69 122.935 119.937 2.998 1
1 759 . 2 1 1 A 70 70 ASP H H 70 8.382 8.847 -0.465 1
1 760 . 2 1 1 A 70 70 ASP HA H 70 4.123 4.220 -0.097 1
1 763 . 2 1 1 A 70 70 ASP C C 70 175.200 176.213 -1.013 1
1 764 . 2 1 1 A 70 70 ASP CA C 70 54.558 57.319 -2.761 1
1 765 . 2 1 1 A 70 70 ASP CB C 70 40.634 40.676 -0.042 1
1 766 . 2 1 1 A 70 70 ASP N N 70 119.400 122.770 -3.370 1
1 767 . 2 1 1 A 71 71 SER H H 71 7.391 7.431 -0.040 1
1 768 . 2 1 1 A 71 71 SER HA H 71 4.233 4.466 -0.233 1
1 771 . 2 1 1 A 71 71 SER C C 71 174.294 174.374 -0.080 1
1 772 . 2 1 1 A 71 71 SER CA C 71 58.017 56.242 1.775 1
1 773 . 2 1 1 A 71 71 SER CB C 71 63.430 65.248 -1.818 1
1 774 . 2 1 1 A 71 71 SER N N 71 114.807 113.617 1.190 1
1 775 . 2 1 1 A 72 72 GLY H H 72 7.981 8.335 -0.354 1
1 776 . 2 1 1 A 72 72 GLY HA2 H 72 3.702 3.631 0.071 1
1 777 . 2 1 1 A 72 72 GLY HA3 H 72 3.610 3.740 -0.130 1
1 778 . 2 1 1 A 72 72 GLY C C 72 172.912 173.739 -0.827 1
1 779 . 2 1 1 A 72 72 GLY CA C 72 44.675 46.089 -1.414 1
1 780 . 2 1 1 A 72 72 GLY N N 72 108.675 111.640 -2.965 1
1 781 . 2 1 1 A 73 73 HIS H H 73 8.462 8.141 0.321 1
1 782 . 2 1 1 A 73 73 HIS HA H 73 4.859 5.153 -0.294 1
1 787 . 2 1 1 A 73 73 HIS C C 73 174.804 174.269 0.535 1
1 788 . 2 1 1 A 73 73 HIS CA C 73 54.700 54.623 0.077 1
1 789 . 2 1 1 A 73 73 HIS CB C 73 28.762 30.630 -1.868 1
1 792 . 2 1 1 A 73 73 HIS N N 73 122.843 117.511 5.332 1
1 793 . 2 1 1 A 74 74 VAL H H 74 7.682 8.810 -1.128 1
1 794 . 2 1 1 A 74 74 VAL HA H 74 5.402 4.645 0.757 1
1 802 . 2 1 1 A 74 74 VAL C C 74 176.121 173.743 2.378 1
1 803 . 2 1 1 A 74 74 VAL CA C 74 61.246 60.228 1.018 1
1 804 . 2 1 1 A 74 74 VAL CB C 74 35.383 35.366 0.017 1
1 807 . 2 1 1 A 74 74 VAL N N 74 120.824 121.609 -0.785 1
1 808 . 2 1 1 A 75 75 TRP H H 75 9.581 8.304 1.277 1
1 809 . 2 1 1 A 75 75 TRP HA H 75 5.342 5.927 -0.585 1
1 818 . 2 1 1 A 75 75 TRP C C 75 171.123 173.532 -2.409 1
1 819 . 2 1 1 A 75 75 TRP CA C 75 57.046 54.631 2.415 1
1 820 . 2 1 1 A 75 75 TRP CB C 75 32.834 33.182 -0.348 1
1 826 . 2 1 1 A 75 75 TRP N N 75 124.656 125.673 -1.017 1
1 828 . 2 1 1 A 76 76 LYS H H 76 9.557 9.013 0.544 1
1 829 . 2 1 1 A 76 76 LYS HA H 76 5.192 4.387 0.805 1
1 838 . 2 1 1 A 76 76 LYS C C 76 174.801 174.840 -0.039 1
1 839 . 2 1 1 A 76 76 LYS CA C 76 54.876 54.996 -0.120 1
1 840 . 2 1 1 A 76 76 LYS CB C 76 36.740 33.864 2.876 1
1 844 . 2 1 1 A 76 76 LYS N N 76 121.724 121.307 0.417 1
1 845 . 2 1 1 A 77 77 LEU H H 77 8.957 8.813 0.144 1
1 846 . 2 1 1 A 77 77 LEU HA H 77 5.272 5.327 -0.055 1
1 856 . 2 1 1 A 77 77 LEU C C 77 174.927 175.026 -0.099 1
1 857 . 2 1 1 A 77 77 LEU CA C 77 54.046 54.251 -0.205 1
1 858 . 2 1 1 A 77 77 LEU CB C 77 46.281 44.924 1.357 1
1 862 . 2 1 1 A 77 77 LEU N N 77 124.578 125.373 -0.795 1
1 863 . 2 1 1 A 78 78 GLN H H 78 8.629 8.680 -0.051 1
1 864 . 2 1 1 A 78 78 GLN HA H 78 5.308 5.157 0.151 1
1 871 . 2 1 1 A 78 78 GLN C C 78 174.564 174.855 -0.291 1
1 872 . 2 1 1 A 78 78 GLN CA C 78 54.452 54.330 0.122 1
1 873 . 2 1 1 A 78 78 GLN CB C 78 32.833 31.069 1.764 1
1 875 . 2 1 1 A 78 78 GLN N N 78 121.344 125.312 -3.968 1
1 877 . 2 1 1 A 79 79 TRP H H 79 8.601 8.510 0.091 1
1 878 . 2 1 1 A 79 79 TRP HA H 79 5.003 5.023 -0.020 1
1 887 . 2 1 1 A 79 79 TRP C C 79 173.001 174.234 -1.233 1
1 888 . 2 1 1 A 79 79 TRP CA C 79 56.323 56.485 -0.162 1
1 889 . 2 1 1 A 79 79 TRP CB C 79 32.258 31.585 0.673 1
1 895 . 2 1 1 A 79 79 TRP N N 79 128.274 124.338 3.936 1
1 897 . 2 1 1 A 80 80 ALA H H 80 9.181 9.382 -0.201 1
1 898 . 2 1 1 A 80 80 ALA HA H 80 3.933 3.966 -0.033 1
1 902 . 2 1 1 A 80 80 ALA C C 80 177.360 176.334 1.026 1
1 903 . 2 1 1 A 80 80 ALA CA C 80 54.222 53.289 0.933 1
1 904 . 2 1 1 A 80 80 ALA CB C 80 17.329 17.352 -0.023 1
1 905 . 2 1 1 A 80 80 ALA N N 80 126.348 121.446 4.902 1
1 906 . 2 1 1 A 81 81 LYS H H 81 8.163 8.421 -0.258 1
1 907 . 2 1 1 A 81 81 LYS HA H 81 4.290 3.731 0.559 1
1 916 . 2 1 1 A 81 81 LYS C C 81 176.068 174.763 1.305 1
1 917 . 2 1 1 A 81 81 LYS CA C 81 56.305 57.347 -1.042 1
1 918 . 2 1 1 A 81 81 LYS CB C 81 31.312 29.600 1.712 1
1 922 . 2 1 1 A 81 81 LYS N N 81 120.289 107.451 12.838 1
1 923 . 2 1 1 A 82 82 GLN H H 82 8.423 7.666 0.757 1
1 924 . 2 1 1 A 82 82 GLN HA H 82 4.255 4.734 -0.479 1
1 931 . 2 1 1 A 82 82 GLN C C 82 174.996 174.009 0.987 1
1 932 . 2 1 1 A 82 82 GLN CA C 82 54.805 53.791 1.014 1
1 933 . 2 1 1 A 82 82 GLN CB C 82 30.942 32.308 -1.366 1
1 935 . 2 1 1 A 82 82 GLN N N 82 119.918 116.425 3.493 1
1 937 . 2 1 1 A 83 83 SER H H 83 7.683 8.005 -0.322 1
1 938 . 2 1 1 A 83 83 SER HA H 83 4.991 5.289 -0.298 1
1 941 . 2 1 1 A 83 83 SER C C 83 171.947 172.464 -0.517 1
1 942 . 2 1 1 A 83 83 SER CA C 83 57.629 57.585 0.044 1
1 943 . 2 1 1 A 83 83 SER CB C 83 64.664 65.525 -0.861 1
1 944 . 2 1 1 A 83 83 SER N N 83 115.649 112.101 3.548 1
1 945 . 2 1 1 A 84 84 TRP H H 84 8.665 9.151 -0.486 1
1 946 . 2 1 1 A 84 84 TRP HA H 84 4.714 5.103 -0.389 1
1 955 . 2 1 1 A 84 84 TRP C C 84 174.105 174.972 -0.867 1
1 956 . 2 1 1 A 84 84 TRP CA C 84 56.834 56.190 0.644 1
1 957 . 2 1 1 A 84 84 TRP CB C 84 33.368 33.526 -0.158 1
1 963 . 2 1 1 A 84 84 TRP N N 84 122.334 124.360 -2.026 1
1 965 . 2 1 1 A 85 85 TYR H H 85 9.220 9.014 0.206 1
1 966 . 2 1 1 A 85 85 TYR HA H 85 5.209 5.125 0.084 1
1 973 . 2 1 1 A 85 85 TYR C C 85 175.136 174.631 0.505 1
1 974 . 2 1 1 A 85 85 TYR CA C 85 56.993 56.408 0.585 1
1 975 . 2 1 1 A 85 85 TYR CB C 85 41.058 40.641 0.417 1
1 980 . 2 1 1 A 85 85 TYR N N 85 117.934 120.738 -2.804 1
1 981 . 2 1 1 A 86 86 LEU H H 86 8.662 8.776 -0.114 1
1 982 . 2 1 1 A 86 86 LEU HA H 86 5.172 4.645 0.527 1
1 992 . 2 1 1 A 86 86 LEU C C 86 174.454 175.354 -0.900 1
1 993 . 2 1 1 A 86 86 LEU CA C 86 53.587 53.136 0.451 1
1 994 . 2 1 1 A 86 86 LEU CB C 86 43.773 41.467 2.306 1
1 998 . 2 1 1 A 86 86 LEU N N 86 121.945 124.891 -2.946 1
1 999 . 2 1 1 A 87 87 SER H H 87 8.642 8.608 0.034 1
1 1000 . 2 1 1 A 87 87 SER HA H 87 4.995 4.813 0.182 1
1 1003 . 2 1 1 A 87 87 SER C C 87 173.683 173.949 -0.266 1
1 1004 . 2 1 1 A 87 87 SER CA C 87 55.052 57.103 -2.051 1
1 1005 . 2 1 1 A 87 87 SER CB C 87 65.487 64.454 1.033 1
1 1006 . 2 1 1 A 87 87 SER N N 87 111.719 120.037 -8.318 1
1 1007 . 2 1 1 A 88 88 ALA H H 88 8.472 8.699 -0.227 1
1 1008 . 2 1 1 A 88 88 ALA HA H 88 5.184 4.767 0.417 1
1 1012 . 2 1 1 A 88 88 ALA C C 88 178.012 177.886 0.126 1
1 1013 . 2 1 1 A 88 88 ALA CA C 88 49.423 50.063 -0.640 1
1 1014 . 2 1 1 A 88 88 ALA CB C 88 22.919 22.265 0.654 1
1 1015 . 2 1 1 A 88 88 ALA N N 88 126.939 123.928 3.011 1
1 1016 . 2 1 1 A 89 89 SER H H 89 8.182 8.623 -0.441 1
1 1017 . 2 1 1 A 89 89 SER HA H 89 4.274 4.238 0.036 1
1 1020 . 2 1 1 A 89 89 SER C C 89 174.039 174.529 -0.490 1
1 1021 . 2 1 1 A 89 89 SER CA C 89 60.135 61.768 -1.633 1
1 1022 . 2 1 1 A 89 89 SER CB C 89 63.571 62.975 0.596 1
1 1023 . 2 1 1 A 89 89 SER N N 89 111.359 116.650 -5.291 1
1 1024 . 2 1 1 A 90 90 SER H H 90 7.392 7.729 -0.337 1
1 1025 . 2 1 1 A 90 90 SER HA H 90 4.383 4.197 0.186 1
1 1028 . 2 1 1 A 90 90 SER C C 90 173.114 173.597 -0.483 1
1 1029 . 2 1 1 A 90 90 SER CA C 90 56.023 57.119 -1.096 1
1 1030 . 2 1 1 A 90 90 SER CB C 90 67.108 66.190 0.918 1
1 1031 . 2 1 1 A 90 90 SER N N 90 113.112 113.206 -0.094 1
1 1032 . 2 1 1 A 91 91 ALA H H 91 8.532 7.884 0.648 1
1 1033 . 2 1 1 A 91 91 ALA HA H 91 3.763 4.018 -0.255 1
1 1037 . 2 1 1 A 91 91 ALA C C 91 179.816 179.510 0.306 1
1 1038 . 2 1 1 A 91 91 ALA CA C 91 54.699 55.383 -0.684 1
1 1039 . 2 1 1 A 91 91 ALA CB C 91 18.111 18.272 -0.161 1
1 1040 . 2 1 1 A 91 91 ALA N N 91 123.767 123.882 -0.115 1
1 1041 . 2 1 1 A 92 92 GLU H H 92 8.766 8.072 0.694 1
1 1042 . 2 1 1 A 92 92 GLU HA H 92 3.942 3.929 0.013 1
1 1047 . 2 1 1 A 92 92 GLU C C 92 179.568 179.109 0.459 1
1 1048 . 2 1 1 A 92 92 GLU CA C 92 60.206 59.436 0.770 1
1 1049 . 2 1 1 A 92 92 GLU CB C 92 28.721 29.120 -0.399 1
1 1051 . 2 1 1 A 92 92 GLU N N 92 118.712 118.499 0.213 1
1 1052 . 2 1 1 A 93 93 LEU H H 93 7.852 8.124 -0.272 1
1 1053 . 2 1 1 A 93 93 LEU HA H 93 4.274 4.458 -0.184 1
1 1063 . 2 1 1 A 93 93 LEU C C 93 178.805 178.624 0.181 1
1 1064 . 2 1 1 A 93 93 LEU CA C 93 57.382 57.143 0.239 1
1 1065 . 2 1 1 A 93 93 LEU CB C 93 43.115 41.502 1.613 1
1 1069 . 2 1 1 A 93 93 LEU N N 93 121.212 121.540 -0.328 1
1 1070 . 2 1 1 A 94 94 GLN H H 94 8.080 8.498 -0.418 1
1 1071 . 2 1 1 A 94 94 GLN HA H 94 3.843 4.271 -0.428 1
1 1078 . 2 1 1 A 94 94 GLN C C 94 176.960 178.108 -1.148 1
1 1079 . 2 1 1 A 94 94 GLN CA C 94 59.694 58.974 0.720 1
1 1080 . 2 1 1 A 94 94 GLN CB C 94 28.063 28.855 -0.792 1
1 1082 . 2 1 1 A 94 94 GLN N N 94 120.439 119.198 1.241 1
1 1084 . 2 1 1 A 95 95 GLN H H 95 8.293 7.890 0.403 1
1 1085 . 2 1 1 A 95 95 GLN HA H 95 3.779 4.050 -0.271 1
1 1092 . 2 1 1 A 95 95 GLN C C 95 177.938 178.425 -0.487 1
1 1093 . 2 1 1 A 95 95 GLN CA C 95 59.005 58.742 0.263 1
1 1094 . 2 1 1 A 95 95 GLN CB C 95 27.610 28.500 -0.890 1
1 1096 . 2 1 1 A 95 95 GLN N N 95 117.408 118.652 -1.244 1
1 1098 . 2 1 1 A 96 96 GLN H H 96 7.731 7.904 -0.173 1
1 1099 . 2 1 1 A 96 96 GLN HA H 96 3.966 4.403 -0.437 1
1 1106 . 2 1 1 A 96 96 GLN C C 96 179.685 177.378 2.307 1
1 1107 . 2 1 1 A 96 96 GLN CA C 96 58.987 58.028 0.959 1
1 1108 . 2 1 1 A 96 96 GLN CB C 96 28.433 28.046 0.387 1
1 1110 . 2 1 1 A 96 96 GLN N N 96 119.621 116.898 2.723 1
1 1112 . 2 1 1 A 97 97 TRP H H 97 8.410 7.283 1.127 1
1 1113 . 2 1 1 A 97 97 TRP HA H 97 3.792 4.454 -0.662 1
1 1122 . 2 1 1 A 97 97 TRP C C 97 178.515 178.720 -0.205 1
1 1123 . 2 1 1 A 97 97 TRP CA C 97 61.670 59.496 2.174 1
1 1124 . 2 1 1 A 97 97 TRP CB C 97 29.972 29.571 0.401 1
1 1130 . 2 1 1 A 97 97 TRP N N 97 121.370 119.590 1.780 1
1 1132 . 2 1 1 A 98 98 LEU H H 98 8.505 7.860 0.645 1
1 1133 . 2 1 1 A 98 98 LEU HA H 98 3.485 3.579 -0.094 1
1 1143 . 2 1 1 A 98 98 LEU C C 98 180.194 178.800 1.394 1
1 1144 . 2 1 1 A 98 98 LEU CA C 98 58.706 58.031 0.675 1
1 1145 . 2 1 1 A 98 98 LEU CB C 98 41.141 41.528 -0.387 1
1 1149 . 2 1 1 A 98 98 LEU N N 98 119.038 120.328 -1.290 1
1 1150 . 2 1 1 A 99 99 GLU H H 99 8.241 8.403 -0.162 1
1 1151 . 2 1 1 A 99 99 GLU HA H 99 3.927 4.058 -0.131 1
1 1156 . 2 1 1 A 99 99 GLU C C 99 179.082 178.798 0.284 1
1 1157 . 2 1 1 A 99 99 GLU CA C 99 59.587 59.000 0.587 1
1 1158 . 2 1 1 A 99 99 GLU CB C 99 29.296 29.359 -0.063 1
1 1160 . 2 1 1 A 99 99 GLU N N 99 119.886 117.661 2.225 1
1 1161 . 2 1 1 A 100 100 THR H H 100 7.780 7.436 0.344 1
1 1162 . 2 1 1 A 100 100 THR HA H 100 3.862 3.891 -0.029 1
1 1167 . 2 1 1 A 100 100 THR C C 100 176.899 176.113 0.786 1
1 1168 . 2 1 1 A 100 100 THR CA C 100 67.088 67.190 -0.102 1
1 1169 . 2 1 1 A 100 100 THR CB C 100 68.178 68.670 -0.492 1
1 1171 . 2 1 1 A 100 100 THR N N 100 116.913 116.806 0.107 1
1 1172 . 2 1 1 A 101 101 LEU H H 101 9.159 8.286 0.873 1
1 1173 . 2 1 1 A 101 101 LEU HA H 101 3.993 3.958 0.035 1
1 1183 . 2 1 1 A 101 101 LEU C C 101 178.416 179.505 -1.089 1
1 1184 . 2 1 1 A 101 101 LEU CA C 101 58.017 57.779 0.238 1
1 1185 . 2 1 1 A 101 101 LEU CB C 101 42.004 41.563 0.441 1
1 1189 . 2 1 1 A 101 101 LEU N N 101 121.065 120.192 0.873 1
1 1190 . 2 1 1 A 102 102 SER H H 102 7.978 8.349 -0.371 1
1 1191 . 2 1 1 A 102 102 SER HA H 102 4.094 4.194 -0.100 1
1 1194 . 2 1 1 A 102 102 SER C C 102 176.370 175.951 0.419 1
1 1195 . 2 1 1 A 102 102 SER CA C 102 61.794 62.652 -0.858 1
1 1196 . 2 1 1 A 102 102 SER CB C 102 62.855 63.001 -0.146 1
1 1197 . 2 1 1 A 102 102 SER N N 102 112.923 114.017 -1.094 1
1 1198 . 2 1 1 A 103 103 THR H H 103 7.683 7.956 -0.273 1
1 1199 . 2 1 1 A 103 103 THR HA H 103 4.020 3.728 0.292 1
1 1204 . 2 1 1 A 103 103 THR C C 103 176.061 176.429 -0.368 1
1 1205 . 2 1 1 A 103 103 THR CA C 103 65.412 66.357 -0.945 1
1 1206 . 2 1 1 A 103 103 THR CB C 103 68.918 68.317 0.601 1
1 1208 . 2 1 1 A 103 103 THR N N 103 116.420 116.863 -0.443 1
1 1209 . 2 1 1 A 104 104 ALA H H 104 7.760 7.797 -0.037 1
1 1210 . 2 1 1 A 104 104 ALA HA H 104 4.272 4.013 0.259 1
1 1214 . 2 1 1 A 104 104 ALA C C 104 178.160 179.571 -1.411 1
1 1215 . 2 1 1 A 104 104 ALA CA C 104 54.011 54.952 -0.941 1
1 1216 . 2 1 1 A 104 104 ALA CB C 104 20.155 18.957 1.198 1
1 1217 . 2 1 1 A 104 104 ALA N N 104 123.981 123.264 0.717 1
1 1218 . 2 1 1 A 105 105 ALA H H 105 7.824 8.074 -0.250 1
1 1219 . 2 1 1 A 105 105 ALA HA H 105 4.092 4.087 0.005 1
1 1223 . 2 1 1 A 105 105 ALA C C 105 177.657 177.505 0.152 1
1 1224 . 2 1 1 A 105 105 ALA CA C 105 53.058 55.676 -2.618 1
1 1225 . 2 1 1 A 105 105 ALA CB C 105 19.067 19.138 -0.071 1
1 1226 . 2 1 1 A 105 105 ALA N N 105 118.227 119.285 -1.058 1
1 1227 . 2 1 1 A 106 106 HIS H H 106 7.675 7.704 -0.029 1
1 1228 . 2 1 1 A 106 106 HIS HA H 106 4.703 5.304 -0.601 1
1 1233 . 2 1 1 A 106 106 HIS C C 106 175.296 173.650 1.646 1
1 1234 . 2 1 1 A 106 106 HIS CA C 106 56.287 53.815 2.472 1
1 1235 . 2 1 1 A 106 106 HIS CB C 106 30.407 32.636 -2.229 1
1 1238 . 2 1 1 A 106 106 HIS N N 106 115.860 112.219 3.641 1
1 1239 . 2 1 1 A 107 107 SER H H 107 8.015 8.797 -0.782 1
1 1240 . 2 1 1 A 107 107 SER HA H 107 4.560 4.921 -0.361 1
1 1243 . 2 1 1 A 107 107 SER C C 107 174.345 175.446 -1.101 1
1 1244 . 2 1 1 A 107 107 SER CA C 107 58.546 56.133 2.413 1
1 1245 . 2 1 1 A 107 107 SER CB C 107 64.130 66.722 -2.592 1
1 1246 . 2 1 1 A 107 107 SER N N 107 116.310 116.734 -0.424 1
1 1247 . 2 1 1 A 108 108 GLY H H 108 8.282 8.873 -0.591 1
1 1248 . 2 1 1 A 108 108 GLY HA2 H 108 4.213 3.827 0.386 1
1 1249 . 2 1 1 A 108 108 GLY HA3 H 108 4.042 3.838 0.204 1
1 1250 . 2 1 1 A 108 108 GLY C C 108 171.750 175.183 -3.433 1
1 1251 . 2 1 1 A 108 108 GLY CA C 108 44.640 48.225 -3.585 1
1 1252 . 2 1 1 A 108 108 GLY N N 108 110.511 109.069 1.442 1
1 1253 . 2 1 1 A 109 109 PRO HA H 109 4.497 4.214 0.283 1
1 1260 . 2 1 1 A 109 109 PRO C C 109 177.419 178.829 -1.410 1
1 1261 . 2 1 1 A 109 109 PRO CA C 109 63.241 66.010 -2.769 1
1 1262 . 2 1 1 A 109 109 PRO CB C 109 32.264 30.705 1.559 1
1 1265 . 2 1 1 A 110 110 SER H H 110 8.558 8.401 0.157 1
1 1266 . 2 1 1 A 110 110 SER C C 110 174.715 175.516 -0.801 1
1 1267 . 2 1 1 A 110 110 SER CA C 110 58.335 61.544 -3.209 1
1 1268 . 2 1 1 A 110 110 SER CB C 110 63.759 63.166 0.593 1
1 1269 . 2 1 1 A 110 110 SER N N 110 116.470 112.150 4.320 1
1 1270 . 2 1 1 A 111 111 SER H H 111 8.357 7.415 0.942 1
1 1271 . 2 1 1 A 111 111 SER C C 111 173.931 174.328 -0.397 1
1 1272 . 2 1 1 A 111 111 SER CA C 111 58.335 57.517 0.818 1
1 1 . 3 1 1 A 8 8 SER HA H 8 5.012 5.137 -0.125 1
1 4 . 3 1 1 A 8 8 SER CA C 8 58.166 57.654 0.512 1
1 5 . 3 1 1 A 8 8 SER CB C 8 64.582 65.480 -0.898 1
1 6 . 3 1 1 A 9 9 LEU H H 9 9.253 8.538 0.715 1
1 7 . 3 1 1 A 9 9 LEU HA H 9 4.091 3.946 0.145 1
1 17 . 3 1 1 A 9 9 LEU C C 9 176.799 176.429 0.370 1
1 18 . 3 1 1 A 9 9 LEU CA C 9 57.523 58.274 -0.751 1
1 19 . 3 1 1 A 9 9 LEU CB C 9 42.703 42.035 0.668 1
1 23 . 3 1 1 A 9 9 LEU N N 9 127.432 126.886 0.546 1
1 24 . 3 1 1 A 10 10 LEU H H 10 6.827 7.947 -1.120 1
1 25 . 3 1 1 A 10 10 LEU HA H 10 4.201 4.761 -0.560 1
1 35 . 3 1 1 A 10 10 LEU C C 10 173.779 174.922 -1.143 1
1 36 . 3 1 1 A 10 10 LEU CA C 10 54.399 53.218 1.181 1
1 37 . 3 1 1 A 10 10 LEU CB C 10 45.006 45.252 -0.246 1
1 41 . 3 1 1 A 10 10 LEU N N 10 116.105 117.869 -1.764 1
1 42 . 3 1 1 A 11 11 CYS H H 11 7.989 8.915 -0.926 1
1 43 . 3 1 1 A 11 11 CYS HA H 11 5.743 5.492 0.251 1
1 46 . 3 1 1 A 11 11 CYS C C 11 172.654 173.240 -0.586 1
1 47 . 3 1 1 A 11 11 CYS CA C 11 55.546 57.218 -1.672 1
1 48 . 3 1 1 A 11 11 CYS CB C 11 31.333 31.233 0.100 1
1 49 . 3 1 1 A 11 11 CYS N N 11 117.939 122.793 -4.854 1
1 50 . 3 1 1 A 12 12 GLY H H 12 8.479 7.559 0.920 1
1 51 . 3 1 1 A 12 12 GLY HA2 H 12 4.419 3.625 0.794 1
1 52 . 3 1 1 A 12 12 GLY HA3 H 12 2.832 4.053 -1.221 1
1 53 . 3 1 1 A 12 12 GLY C C 12 168.720 171.642 -2.922 1
1 54 . 3 1 1 A 12 12 GLY CA C 12 44.710 44.441 0.269 1
1 55 . 3 1 1 A 12 12 GLY N N 12 109.046 106.702 2.344 1
1 56 . 3 1 1 A 13 13 PRO HA H 13 5.163 4.464 0.699 1
1 63 . 3 1 1 A 13 13 PRO C C 13 177.501 175.110 2.391 1
1 64 . 3 1 1 A 13 13 PRO CA C 13 62.182 63.152 -0.970 1
1 65 . 3 1 1 A 13 13 PRO CB C 13 32.587 32.284 0.303 1
1 68 . 3 1 1 A 14 14 LEU H H 14 8.630 8.595 0.035 1
1 69 . 3 1 1 A 14 14 LEU HA H 14 4.764 4.934 -0.170 1
1 79 . 3 1 1 A 14 14 LEU C C 14 175.698 174.002 1.696 1
1 80 . 3 1 1 A 14 14 LEU CA C 14 53.975 53.020 0.955 1
1 81 . 3 1 1 A 14 14 LEU CB C 14 48.936 45.626 3.310 1
1 85 . 3 1 1 A 14 14 LEU N N 14 122.246 123.796 -1.550 1
1 86 . 3 1 1 A 15 15 ARG H H 15 8.498 8.817 -0.319 1
1 87 . 3 1 1 A 15 15 ARG HA H 15 5.421 5.484 -0.063 1
1 95 . 3 1 1 A 15 15 ARG C C 15 174.664 174.165 0.499 1
1 96 . 3 1 1 A 15 15 ARG CA C 15 54.858 54.357 0.501 1
1 97 . 3 1 1 A 15 15 ARG CB C 15 34.085 34.066 0.019 1
1 100 . 3 1 1 A 15 15 ARG N N 15 118.593 123.997 -5.404 1
1 102 . 3 1 1 A 16 16 LEU H H 16 9.244 8.705 0.539 1
1 103 . 3 1 1 A 16 16 LEU HA H 16 5.662 5.748 -0.086 1
1 113 . 3 1 1 A 16 16 LEU C C 16 176.872 174.654 2.218 1
1 114 . 3 1 1 A 16 16 LEU CA C 16 53.746 53.636 0.110 1
1 115 . 3 1 1 A 16 16 LEU CB C 16 47.803 46.640 1.163 1
1 119 . 3 1 1 A 16 16 LEU N N 16 123.893 126.833 -2.940 1
1 120 . 3 1 1 A 17 17 SER H H 17 8.982 8.376 0.606 1
1 121 . 3 1 1 A 17 17 SER HA H 17 4.484 5.178 -0.694 1
1 124 . 3 1 1 A 17 17 SER C C 17 173.790 173.021 0.769 1
1 125 . 3 1 1 A 17 17 SER CA C 17 57.081 56.441 0.640 1
1 126 . 3 1 1 A 17 17 SER CB C 17 64.487 64.380 0.107 1
1 127 . 3 1 1 A 17 17 SER N N 17 117.455 119.006 -1.551 1
1 128 . 3 1 1 A 18 18 GLU H H 18 9.102 8.582 0.520 1
1 129 . 3 1 1 A 18 18 GLU HA H 18 3.832 4.354 -0.522 1
1 134 . 3 1 1 A 18 18 GLU C C 18 176.185 177.142 -0.957 1
1 135 . 3 1 1 A 18 18 GLU CA C 18 58.793 55.944 2.849 1
1 136 . 3 1 1 A 18 18 GLU CB C 18 30.037 30.054 -0.017 1
1 138 . 3 1 1 A 18 18 GLU N N 18 129.354 124.024 5.330 1
1 139 . 3 1 1 A 19 19 SER H H 19 7.792 9.010 -1.218 1
1 140 . 3 1 1 A 19 19 SER HA H 19 4.650 4.217 0.433 1
1 143 . 3 1 1 A 19 19 SER C C 19 175.321 173.938 1.383 1
1 144 . 3 1 1 A 19 19 SER CA C 19 57.699 58.897 -1.198 1
1 145 . 3 1 1 A 19 19 SER CB C 19 65.816 60.886 4.930 1
1 146 . 3 1 1 A 19 19 SER N N 19 108.812 120.434 -11.622 1
1 147 . 3 1 1 A 20 20 GLY H H 20 8.376 7.880 0.496 1
1 148 . 3 1 1 A 20 20 GLY HA2 H 20 3.931 3.249 0.682 1
1 149 . 3 1 1 A 20 20 GLY HA3 H 20 2.690 3.545 -0.855 1
1 150 . 3 1 1 A 20 20 GLY C C 20 172.644 174.514 -1.870 1
1 151 . 3 1 1 A 20 20 GLY CA C 20 44.746 46.007 -1.261 1
1 152 . 3 1 1 A 20 20 GLY N N 20 111.458 108.875 2.583 1
1 153 . 3 1 1 A 21 21 GLU H H 21 7.522 7.704 -0.182 1
1 154 . 3 1 1 A 21 21 GLU HA H 21 4.274 4.314 -0.040 1
1 159 . 3 1 1 A 21 21 GLU C C 21 176.266 175.996 0.270 1
1 160 . 3 1 1 A 21 21 GLU CA C 21 58.069 57.819 0.250 1
1 161 . 3 1 1 A 21 21 GLU CB C 21 31.024 30.930 0.094 1
1 163 . 3 1 1 A 21 21 GLU N N 21 119.071 120.359 -1.288 1
1 164 . 3 1 1 A 22 22 THR H H 22 7.436 7.662 -0.226 1
1 165 . 3 1 1 A 22 22 THR HA H 22 4.618 4.760 -0.142 1
1 170 . 3 1 1 A 22 22 THR C C 22 173.662 173.156 0.506 1
1 171 . 3 1 1 A 22 22 THR CA C 22 60.682 59.982 0.700 1
1 172 . 3 1 1 A 22 22 THR CB C 22 70.504 71.418 -0.914 1
1 174 . 3 1 1 A 22 22 THR N N 22 111.176 109.114 2.062 1
1 175 . 3 1 1 A 23 23 TRP H H 23 9.121 9.098 0.023 1
1 176 . 3 1 1 A 23 23 TRP HA H 23 4.983 5.727 -0.744 1
1 185 . 3 1 1 A 23 23 TRP C C 23 175.888 175.797 0.091 1
1 186 . 3 1 1 A 23 23 TRP CA C 23 56.570 56.216 0.354 1
1 187 . 3 1 1 A 23 23 TRP CB C 23 32.176 32.099 0.077 1
1 193 . 3 1 1 A 23 23 TRP N N 23 127.096 123.873 3.223 1
1 195 . 3 1 1 A 24 24 SER H H 24 9.273 8.516 0.757 1
1 196 . 3 1 1 A 24 24 SER HA H 24 4.948 4.947 0.001 1
1 199 . 3 1 1 A 24 24 SER C C 24 173.268 172.118 1.150 1
1 200 . 3 1 1 A 24 24 SER CA C 24 57.346 57.662 -0.316 1
1 201 . 3 1 1 A 24 24 SER CB C 24 65.445 66.932 -1.487 1
1 202 . 3 1 1 A 24 24 SER N N 24 118.031 115.076 2.955 1
1 203 . 3 1 1 A 25 25 GLU H H 25 8.990 8.613 0.377 1
1 204 . 3 1 1 A 25 25 GLU HA H 25 4.737 4.631 0.106 1
1 209 . 3 1 1 A 25 25 GLU C C 25 176.246 176.495 -0.249 1
1 210 . 3 1 1 A 25 25 GLU CA C 25 57.170 56.385 0.785 1
1 211 . 3 1 1 A 25 25 GLU CB C 25 30.202 30.453 -0.251 1
1 213 . 3 1 1 A 25 25 GLU N N 25 125.088 123.991 1.097 1
1 214 . 3 1 1 A 26 26 VAL H H 26 9.012 8.983 0.029 1
1 215 . 3 1 1 A 26 26 VAL HA H 26 5.002 5.249 -0.247 1
1 223 . 3 1 1 A 26 26 VAL C C 26 174.304 173.637 0.667 1
1 224 . 3 1 1 A 26 26 VAL CA C 26 58.917 58.827 0.090 1
1 225 . 3 1 1 A 26 26 VAL CB C 26 35.753 35.956 -0.203 1
1 228 . 3 1 1 A 26 26 VAL N N 26 118.076 119.824 -1.748 1
1 229 . 3 1 1 A 27 27 TRP H H 27 8.880 8.930 -0.050 1
1 230 . 3 1 1 A 27 27 TRP HA H 27 4.814 5.605 -0.791 1
1 239 . 3 1 1 A 27 27 TRP C C 27 174.255 174.079 0.176 1
1 240 . 3 1 1 A 27 27 TRP CA C 27 57.117 55.080 2.037 1
1 241 . 3 1 1 A 27 27 TRP CB C 27 30.325 32.723 -2.398 1
1 247 . 3 1 1 A 27 27 TRP N N 27 122.873 125.071 -2.198 1
1 249 . 3 1 1 A 28 28 ALA H H 28 8.482 8.117 0.365 1
1 250 . 3 1 1 A 28 28 ALA HA H 28 5.329 5.375 -0.046 1
1 254 . 3 1 1 A 28 28 ALA C C 28 175.519 175.748 -0.229 1
1 255 . 3 1 1 A 28 28 ALA CA C 28 49.670 50.086 -0.416 1
1 256 . 3 1 1 A 28 28 ALA CB C 28 23.827 21.988 1.839 1
1 257 . 3 1 1 A 28 28 ALA N N 28 133.586 129.944 3.642 1
1 258 . 3 1 1 A 29 29 ALA H H 29 8.948 8.732 0.216 1
1 259 . 3 1 1 A 29 29 ALA HA H 29 5.160 5.224 -0.064 1
1 263 . 3 1 1 A 29 29 ALA C C 29 175.956 176.026 -0.070 1
1 264 . 3 1 1 A 29 29 ALA CA C 29 52.210 51.951 0.259 1
1 265 . 3 1 1 A 29 29 ALA CB C 29 23.697 23.146 0.551 1
1 266 . 3 1 1 A 29 29 ALA N N 29 119.901 122.977 -3.076 1
1 267 . 3 1 1 A 30 30 ILE H H 30 8.245 8.764 -0.519 1
1 268 . 3 1 1 A 30 30 ILE HA H 30 5.313 4.690 0.623 1
1 278 . 3 1 1 A 30 30 ILE C C 30 174.004 174.541 -0.537 1
1 279 . 3 1 1 A 30 30 ILE CA C 30 57.699 57.849 -0.150 1
1 280 . 3 1 1 A 30 30 ILE CB C 30 40.565 38.335 2.230 1
1 284 . 3 1 1 A 30 30 ILE N N 30 122.332 121.526 0.806 1
1 285 . 3 1 1 A 31 31 PRO HA H 31 4.655 4.673 -0.018 1
1 292 . 3 1 1 A 31 31 PRO C C 31 177.566 178.070 -0.504 1
1 293 . 3 1 1 A 31 31 PRO CA C 31 62.464 62.514 -0.050 1
1 294 . 3 1 1 A 31 31 PRO CB C 31 31.929 31.505 0.424 1
1 297 . 3 1 1 A 32 32 MET H H 32 8.572 8.142 0.430 1
1 298 . 3 1 1 A 32 32 MET HA H 32 3.997 4.126 -0.129 1
1 306 . 3 1 1 A 32 32 MET C C 32 177.770 178.036 -0.266 1
1 307 . 3 1 1 A 32 32 MET CA C 32 58.158 58.676 -0.518 1
1 308 . 3 1 1 A 32 32 MET CB C 32 31.929 32.207 -0.278 1
1 311 . 3 1 1 A 32 32 MET N N 32 121.580 124.318 -2.738 1
1 312 . 3 1 1 A 33 33 SER H H 33 8.163 8.149 0.014 1
1 313 . 3 1 1 A 33 33 SER HA H 33 4.213 4.178 0.035 1
1 316 . 3 1 1 A 33 33 SER C C 33 174.424 173.896 0.528 1
1 317 . 3 1 1 A 33 33 SER CA C 33 58.864 61.145 -2.281 1
1 318 . 3 1 1 A 33 33 SER CB C 33 63.225 63.200 0.025 1
1 319 . 3 1 1 A 33 33 SER N N 33 109.218 114.491 -5.273 1
1 320 . 3 1 1 A 34 34 ASP H H 34 7.179 7.871 -0.692 1
1 321 . 3 1 1 A 34 34 ASP HA H 34 4.912 5.080 -0.168 1
1 324 . 3 1 1 A 34 34 ASP C C 34 171.847 174.269 -2.422 1
1 325 . 3 1 1 A 34 34 ASP CA C 34 52.581 51.184 1.397 1
1 326 . 3 1 1 A 34 34 ASP CB C 34 41.223 41.568 -0.345 1
1 327 . 3 1 1 A 34 34 ASP N N 34 120.601 118.029 2.572 1
1 328 . 3 1 1 A 35 35 PRO HA H 35 4.510 4.596 -0.086 1
1 335 . 3 1 1 A 35 35 PRO C C 35 175.635 176.488 -0.853 1
1 336 . 3 1 1 A 35 35 PRO CA C 35 64.511 63.878 0.633 1
1 337 . 3 1 1 A 35 35 PRO CB C 35 31.729 32.068 -0.339 1
1 340 . 3 1 1 A 36 36 GLN H H 36 7.982 8.427 -0.445 1
1 341 . 3 1 1 A 36 36 GLN HA H 36 4.472 4.476 -0.004 1
1 348 . 3 1 1 A 36 36 GLN C C 36 174.646 174.942 -0.296 1
1 349 . 3 1 1 A 36 36 GLN CA C 36 55.193 55.904 -0.711 1
1 350 . 3 1 1 A 36 36 GLN CB C 36 29.420 29.424 -0.004 1
1 352 . 3 1 1 A 36 36 GLN N N 36 114.393 117.085 -2.692 1
1 354 . 3 1 1 A 37 37 VAL H H 37 7.878 7.650 0.228 1
1 355 . 3 1 1 A 37 37 VAL HA H 37 4.546 4.715 -0.169 1
1 363 . 3 1 1 A 37 37 VAL C C 37 172.485 172.863 -0.378 1
1 364 . 3 1 1 A 37 37 VAL CA C 37 60.987 60.339 0.648 1
1 365 . 3 1 1 A 37 37 VAL CB C 37 35.218 34.703 0.515 1
1 368 . 3 1 1 A 37 37 VAL N N 37 120.432 119.466 0.966 1
1 369 . 3 1 1 A 38 38 LEU H H 38 7.992 8.870 -0.878 1
1 370 . 3 1 1 A 38 38 LEU HA H 38 4.770 5.264 -0.494 1
1 380 . 3 1 1 A 38 38 LEU C C 38 175.193 175.293 -0.100 1
1 381 . 3 1 1 A 38 38 LEU CA C 38 53.146 53.184 -0.038 1
1 382 . 3 1 1 A 38 38 LEU CB C 38 45.359 44.545 0.814 1
1 386 . 3 1 1 A 38 38 LEU N N 38 123.585 129.449 -5.864 1
1 387 . 3 1 1 A 39 39 HIS H H 39 9.442 8.738 0.704 1
1 388 . 3 1 1 A 39 39 HIS HA H 39 5.212 4.811 0.401 1
1 393 . 3 1 1 A 39 39 HIS C C 39 175.351 175.733 -0.382 1
1 394 . 3 1 1 A 39 39 HIS CA C 39 55.211 56.480 -1.269 1
1 395 . 3 1 1 A 39 39 HIS CB C 39 32.669 30.727 1.942 1
1 398 . 3 1 1 A 39 39 HIS N N 39 126.949 126.234 0.715 1
1 399 . 3 1 1 A 40 40 LEU H H 40 8.424 8.247 0.177 1
1 400 . 3 1 1 A 40 40 LEU HA H 40 5.082 5.061 0.021 1
1 410 . 3 1 1 A 40 40 LEU C C 40 176.050 175.841 0.209 1
1 411 . 3 1 1 A 40 40 LEU CA C 40 53.552 53.498 0.054 1
1 412 . 3 1 1 A 40 40 LEU CB C 40 44.019 45.418 -1.399 1
1 416 . 3 1 1 A 40 40 LEU N N 40 122.395 122.369 0.026 1
1 417 . 3 1 1 A 41 41 GLN H H 41 8.972 8.736 0.236 1
1 418 . 3 1 1 A 41 41 GLN HA H 41 4.723 5.269 -0.546 1
1 425 . 3 1 1 A 41 41 GLN C C 41 175.453 175.016 0.437 1
1 426 . 3 1 1 A 41 41 GLN CA C 41 54.840 54.234 0.606 1
1 427 . 3 1 1 A 41 41 GLN CB C 41 31.946 32.662 -0.716 1
1 429 . 3 1 1 A 41 41 GLN N N 41 121.779 120.627 1.152 1
1 431 . 3 1 1 A 42 42 GLY H H 42 8.739 8.459 0.280 1
1 432 . 3 1 1 A 42 42 GLY HA2 H 42 4.252 4.332 -0.080 1
1 433 . 3 1 1 A 42 42 GLY HA3 H 42 4.200 4.360 -0.160 1
1 434 . 3 1 1 A 42 42 GLY C C 42 173.938 174.235 -0.297 1
1 435 . 3 1 1 A 42 42 GLY CA C 42 44.746 45.573 -0.827 1
1 436 . 3 1 1 A 42 42 GLY N N 42 112.892 110.365 2.527 1
1 437 . 3 1 1 A 43 43 GLY H H 43 8.709 7.325 1.384 1
1 438 . 3 1 1 A 43 43 GLY HA2 H 43 4.110 4.057 0.053 1
1 439 . 3 1 1 A 43 43 GLY HA3 H 43 3.962 4.059 -0.097 1
1 440 . 3 1 1 A 43 43 GLY C C 43 174.713 174.784 -0.071 1
1 441 . 3 1 1 A 43 43 GLY CA C 43 45.346 44.850 0.496 1
1 442 . 3 1 1 A 43 43 GLY N N 43 108.768 106.150 2.618 1
1 443 . 3 1 1 A 44 44 SER H H 44 8.369 8.981 -0.612 1
1 444 . 3 1 1 A 44 44 SER C C 44 175.312 176.308 -0.996 1
1 445 . 3 1 1 A 44 44 SER CA C 44 58.723 61.506 -2.783 1
1 446 . 3 1 1 A 44 44 SER CB C 44 63.924 62.824 1.100 1
1 447 . 3 1 1 A 44 44 SER N N 44 115.582 116.555 -0.973 1
1 448 . 3 1 1 A 45 45 GLN HA H 45 4.346 4.133 0.213 1
1 455 . 3 1 1 A 45 45 GLN C C 45 175.931 176.308 -0.377 1
1 456 . 3 1 1 A 45 45 GLN CA C 45 56.358 58.605 -2.247 1
1 457 . 3 1 1 A 45 45 GLN CB C 45 28.392 28.480 -0.088 1
1 460 . 3 1 1 A 46 46 ASP H H 46 8.053 7.755 0.298 1
1 461 . 3 1 1 A 46 46 ASP HA H 46 4.615 4.867 -0.252 1
1 464 . 3 1 1 A 46 46 ASP C C 46 176.998 176.350 0.648 1
1 465 . 3 1 1 A 46 46 ASP CA C 46 54.188 53.467 0.721 1
1 466 . 3 1 1 A 46 46 ASP CB C 46 41.099 38.911 2.188 1
1 467 . 3 1 1 A 46 46 ASP N N 46 119.460 119.454 0.006 1
1 468 . 3 1 1 A 47 47 GLY H H 47 8.311 8.833 -0.522 1
1 469 . 3 1 1 A 47 47 GLY HA2 H 47 3.970 3.695 0.275 1
1 470 . 3 1 1 A 47 47 GLY HA3 H 47 3.970 3.702 0.268 1
1 471 . 3 1 1 A 47 47 GLY C C 47 174.725 175.750 -1.025 1
1 472 . 3 1 1 A 47 47 GLY CA C 47 45.892 46.874 -0.982 1
1 473 . 3 1 1 A 47 47 GLY N N 47 109.753 111.121 -1.368 1
1 474 . 3 1 1 A 48 48 ARG H H 48 8.300 8.277 0.023 1
1 475 . 3 1 1 A 48 48 ARG HA H 48 4.308 4.129 0.179 1
1 482 . 3 1 1 A 48 48 ARG C C 48 176.347 177.157 -0.810 1
1 483 . 3 1 1 A 48 48 ARG CA C 48 56.782 58.953 -2.171 1
1 484 . 3 1 1 A 48 48 ARG CB C 48 30.654 29.983 0.671 1
1 487 . 3 1 1 A 48 48 ARG N N 48 119.526 121.761 -2.235 1
1 488 . 3 1 1 A 49 49 LEU H H 49 7.682 7.700 -0.018 1
1 489 . 3 1 1 A 49 49 LEU HA H 49 4.252 4.029 0.223 1
1 499 . 3 1 1 A 49 49 LEU C C 49 174.707 174.741 -0.034 1
1 500 . 3 1 1 A 49 49 LEU CA C 49 53.040 53.660 -0.620 1
1 501 . 3 1 1 A 49 49 LEU CB C 49 41.759 41.225 0.534 1
1 505 . 3 1 1 A 49 49 LEU N N 49 121.049 121.209 -0.160 1
1 506 . 3 1 1 A 50 50 PRO HA H 50 4.392 4.739 -0.347 1
1 513 . 3 1 1 A 50 50 PRO C C 50 175.058 177.689 -2.631 1
1 514 . 3 1 1 A 50 50 PRO CA C 50 62.323 62.663 -0.340 1
1 515 . 3 1 1 A 50 50 PRO CB C 50 31.353 32.004 -0.651 1
1 518 . 3 1 1 A 51 51 ARG H H 51 8.295 8.419 -0.124 1
1 519 . 3 1 1 A 51 51 ARG HA H 51 4.511 4.006 0.505 1
1 526 . 3 1 1 A 51 51 ARG C C 51 177.443 176.303 1.140 1
1 527 . 3 1 1 A 51 51 ARG CA C 51 56.728 58.482 -1.754 1
1 528 . 3 1 1 A 51 51 ARG CB C 51 31.194 30.083 1.111 1
1 531 . 3 1 1 A 51 51 ARG N N 51 119.201 121.789 -2.588 1
1 532 . 3 1 1 A 52 52 THR H H 52 7.372 8.134 -0.762 1
1 533 . 3 1 1 A 52 52 THR HA H 52 4.963 4.849 0.114 1
1 538 . 3 1 1 A 52 52 THR C C 52 173.287 173.262 0.025 1
1 539 . 3 1 1 A 52 52 THR CA C 52 59.411 59.822 -0.411 1
1 540 . 3 1 1 A 52 52 THR CB C 52 71.632 71.569 0.063 1
1 542 . 3 1 1 A 52 52 THR N N 52 109.591 109.260 0.331 1
1 543 . 3 1 1 A 53 53 ILE H H 53 8.742 9.062 -0.320 1
1 544 . 3 1 1 A 53 53 ILE HA H 53 3.845 4.602 -0.757 1
1 554 . 3 1 1 A 53 53 ILE C C 53 173.374 174.271 -0.897 1
1 555 . 3 1 1 A 53 53 ILE CA C 53 57.735 57.558 0.177 1
1 556 . 3 1 1 A 53 53 ILE CB C 53 41.196 40.607 0.589 1
1 560 . 3 1 1 A 53 53 ILE N N 53 123.236 123.625 -0.389 1
1 561 . 3 1 1 A 54 54 PRO HA H 54 4.541 4.619 -0.078 1
1 568 . 3 1 1 A 54 54 PRO CA C 54 61.292 62.288 -0.996 1
1 569 . 3 1 1 A 54 54 PRO CB C 54 30.119 31.192 -1.073 1
1 572 . 3 1 1 A 55 55 LEU H H 55 8.146 8.458 -0.312 1
1 573 . 3 1 1 A 55 55 LEU HA H 55 4.262 3.832 0.430 1
1 583 . 3 1 1 A 55 55 LEU CA C 55 58.660 58.899 -0.239 1
1 584 . 3 1 1 A 55 55 LEU CB C 55 39.660 39.571 0.089 1
1 588 . 3 1 1 A 55 55 LEU N N 55 127.224 123.642 3.582 1
1 589 . 3 1 1 A 56 56 PRO HA H 56 4.630 4.354 0.276 1
1 596 . 3 1 1 A 56 56 PRO C C 56 177.498 176.895 0.603 1
1 597 . 3 1 1 A 56 56 PRO CA C 56 65.782 65.099 0.683 1
1 598 . 3 1 1 A 56 56 PRO CB C 56 31.188 31.590 -0.402 1
1 601 . 3 1 1 A 57 57 SER H H 57 7.722 7.994 -0.272 1
1 602 . 3 1 1 A 57 57 SER HA H 57 4.723 4.676 0.047 1
1 605 . 3 1 1 A 57 57 SER C C 57 174.102 173.050 1.052 1
1 606 . 3 1 1 A 57 57 SER CA C 57 58.423 57.248 1.175 1
1 607 . 3 1 1 A 57 57 SER CB C 57 63.924 64.008 -0.084 1
1 608 . 3 1 1 A 57 57 SER N N 57 110.169 112.302 -2.133 1
1 609 . 3 1 1 A 58 58 CYS H H 58 8.002 7.699 0.303 1
1 610 . 3 1 1 A 58 58 CYS HA H 58 5.282 5.107 0.175 1
1 613 . 3 1 1 A 58 58 CYS C C 58 174.525 172.908 1.617 1
1 614 . 3 1 1 A 58 58 CYS CA C 58 59.447 57.008 2.439 1
1 615 . 3 1 1 A 58 58 CYS CB C 58 29.594 29.583 0.011 1
1 616 . 3 1 1 A 58 58 CYS N N 58 118.902 118.551 0.351 1
1 617 . 3 1 1 A 59 59 LYS H H 59 9.242 8.390 0.852 1
1 618 . 3 1 1 A 59 59 LYS HA H 59 4.777 4.759 0.018 1
1 627 . 3 1 1 A 59 59 LYS C C 59 175.947 174.958 0.989 1
1 628 . 3 1 1 A 59 59 LYS CA C 59 55.299 55.352 -0.053 1
1 629 . 3 1 1 A 59 59 LYS CB C 59 34.561 33.598 0.963 1
1 633 . 3 1 1 A 59 59 LYS N N 59 122.306 125.684 -3.378 1
1 634 . 3 1 1 A 60 60 LEU H H 60 9.030 8.978 0.052 1
1 635 . 3 1 1 A 60 60 LEU HA H 60 5.543 4.792 0.751 1
1 645 . 3 1 1 A 60 60 LEU C C 60 176.239 175.861 0.378 1
1 646 . 3 1 1 A 60 60 LEU CA C 60 53.958 54.202 -0.244 1
1 647 . 3 1 1 A 60 60 LEU CB C 60 44.454 41.272 3.182 1
1 651 . 3 1 1 A 60 60 LEU N N 60 129.520 129.806 -0.286 1
1 652 . 3 1 1 A 61 61 SER H H 61 9.077 8.830 0.247 1
1 653 . 3 1 1 A 61 61 SER HA H 61 4.832 5.082 -0.250 1
1 656 . 3 1 1 A 61 61 SER C C 61 172.173 172.573 -0.400 1
1 657 . 3 1 1 A 61 61 SER CA C 61 57.558 57.696 -0.138 1
1 658 . 3 1 1 A 61 61 SER CB C 61 65.692 65.839 -0.147 1
1 659 . 3 1 1 A 61 61 SER N N 61 117.374 122.841 -5.467 1
1 660 . 3 1 1 A 62 62 VAL H H 62 8.784 8.888 -0.104 1
1 661 . 3 1 1 A 62 62 VAL HA H 62 4.927 4.582 0.345 1
1 669 . 3 1 1 A 62 62 VAL C C 62 174.367 174.640 -0.273 1
1 670 . 3 1 1 A 62 62 VAL CA C 62 59.782 60.194 -0.412 1
1 671 . 3 1 1 A 62 62 VAL CB C 62 33.518 32.190 1.328 1
1 674 . 3 1 1 A 62 62 VAL N N 62 119.929 127.013 -7.084 1
1 675 . 3 1 1 A 63 63 PRO HA H 63 4.495 4.619 -0.124 1
1 682 . 3 1 1 A 63 63 PRO CA C 63 62.526 62.681 -0.155 1
1 683 . 3 1 1 A 63 63 PRO CB C 63 32.504 32.785 -0.281 1
1 686 . 3 1 1 A 64 64 ASP H H 64 8.762 8.979 -0.217 1
1 687 . 3 1 1 A 64 64 ASP HA H 64 4.780 5.152 -0.372 1
1 690 . 3 1 1 A 64 64 ASP CA C 64 53.231 51.270 1.961 1
1 691 . 3 1 1 A 64 64 ASP CB C 64 41.105 41.087 0.018 1
1 692 . 3 1 1 A 64 64 ASP N N 64 123.527 121.182 2.345 1
1 693 . 3 1 1 A 65 65 PRO HA H 65 4.371 4.328 0.043 1
1 700 . 3 1 1 A 65 65 PRO C C 65 178.309 178.660 -0.351 1
1 701 . 3 1 1 A 65 65 PRO CA C 65 64.829 65.704 -0.875 1
1 702 . 3 1 1 A 65 65 PRO CB C 65 32.136 31.736 0.400 1
1 705 . 3 1 1 A 66 66 GLU H H 66 8.890 8.553 0.337 1
1 706 . 3 1 1 A 66 66 GLU HA H 66 4.129 4.063 0.066 1
1 711 . 3 1 1 A 66 66 GLU C C 66 177.222 177.624 -0.402 1
1 712 . 3 1 1 A 66 66 GLU CA C 66 57.805 59.861 -2.056 1
1 713 . 3 1 1 A 66 66 GLU CB C 66 29.334 29.128 0.206 1
1 715 . 3 1 1 A 66 66 GLU N N 66 117.225 118.053 -0.828 1
1 716 . 3 1 1 A 67 67 GLU H H 67 7.971 7.849 0.122 1
1 717 . 3 1 1 A 67 67 GLU HA H 67 4.136 4.411 -0.275 1
1 722 . 3 1 1 A 67 67 GLU C C 67 176.058 175.536 0.522 1
1 723 . 3 1 1 A 67 67 GLU CA C 67 57.328 57.089 0.239 1
1 724 . 3 1 1 A 67 67 GLU CB C 67 29.594 30.634 -1.040 1
1 726 . 3 1 1 A 67 67 GLU N N 67 119.516 119.288 0.228 1
1 727 . 3 1 1 A 68 68 ARG H H 68 8.020 8.762 -0.742 1
1 728 . 3 1 1 A 68 68 ARG HA H 68 4.043 4.796 -0.753 1
1 735 . 3 1 1 A 68 68 ARG C C 68 175.591 174.960 0.631 1
1 736 . 3 1 1 A 68 68 ARG CA C 68 56.075 54.877 1.198 1
1 737 . 3 1 1 A 68 68 ARG CB C 68 28.927 31.141 -2.214 1
1 740 . 3 1 1 A 68 68 ARG N N 68 118.917 120.886 -1.969 1
1 741 . 3 1 1 A 69 69 LEU H H 69 8.188 8.520 -0.332 1
1 742 . 3 1 1 A 69 69 LEU HA H 69 4.372 4.760 -0.388 1
1 752 . 3 1 1 A 69 69 LEU C C 69 176.013 178.174 -2.161 1
1 753 . 3 1 1 A 69 69 LEU CA C 69 54.682 53.918 0.764 1
1 754 . 3 1 1 A 69 69 LEU CB C 69 43.238 42.816 0.422 1
1 758 . 3 1 1 A 69 69 LEU N N 69 122.935 125.421 -2.486 1
1 759 . 3 1 1 A 70 70 ASP H H 70 8.382 8.902 -0.520 1
1 760 . 3 1 1 A 70 70 ASP HA H 70 4.123 4.395 -0.272 1
1 763 . 3 1 1 A 70 70 ASP C C 70 175.200 175.927 -0.727 1
1 764 . 3 1 1 A 70 70 ASP CA C 70 54.558 56.764 -2.206 1
1 765 . 3 1 1 A 70 70 ASP CB C 70 40.634 41.228 -0.594 1
1 766 . 3 1 1 A 70 70 ASP N N 70 119.400 122.154 -2.754 1
1 767 . 3 1 1 A 71 71 SER H H 71 7.391 7.440 -0.049 1
1 768 . 3 1 1 A 71 71 SER HA H 71 4.233 4.443 -0.210 1
1 771 . 3 1 1 A 71 71 SER C C 71 174.294 174.674 -0.380 1
1 772 . 3 1 1 A 71 71 SER CA C 71 58.017 56.904 1.113 1
1 773 . 3 1 1 A 71 71 SER CB C 71 63.430 65.754 -2.324 1
1 774 . 3 1 1 A 71 71 SER N N 71 114.807 109.989 4.818 1
1 775 . 3 1 1 A 72 72 GLY H H 72 7.981 8.213 -0.232 1
1 776 . 3 1 1 A 72 72 GLY HA2 H 72 3.702 3.598 0.104 1
1 777 . 3 1 1 A 72 72 GLY HA3 H 72 3.610 3.715 -0.105 1
1 778 . 3 1 1 A 72 72 GLY C C 72 172.912 173.752 -0.840 1
1 779 . 3 1 1 A 72 72 GLY CA C 72 44.675 46.431 -1.756 1
1 780 . 3 1 1 A 72 72 GLY N N 72 108.675 109.164 -0.489 1
1 781 . 3 1 1 A 73 73 HIS H H 73 8.462 8.031 0.431 1
1 782 . 3 1 1 A 73 73 HIS HA H 73 4.859 5.217 -0.358 1
1 787 . 3 1 1 A 73 73 HIS C C 73 174.804 174.065 0.739 1
1 788 . 3 1 1 A 73 73 HIS CA C 73 54.700 54.629 0.071 1
1 789 . 3 1 1 A 73 73 HIS CB C 73 28.762 30.596 -1.834 1
1 792 . 3 1 1 A 73 73 HIS N N 73 122.843 117.172 5.671 1
1 793 . 3 1 1 A 74 74 VAL H H 74 7.682 8.817 -1.135 1
1 794 . 3 1 1 A 74 74 VAL HA H 74 5.402 4.690 0.712 1
1 802 . 3 1 1 A 74 74 VAL C C 74 176.121 173.920 2.201 1
1 803 . 3 1 1 A 74 74 VAL CA C 74 61.246 60.221 1.025 1
1 804 . 3 1 1 A 74 74 VAL CB C 74 35.383 35.764 -0.381 1
1 807 . 3 1 1 A 74 74 VAL N N 74 120.824 121.769 -0.945 1
1 808 . 3 1 1 A 75 75 TRP H H 75 9.581 8.432 1.149 1
1 809 . 3 1 1 A 75 75 TRP HA H 75 5.342 5.920 -0.578 1
1 818 . 3 1 1 A 75 75 TRP C C 75 171.123 173.509 -2.386 1
1 819 . 3 1 1 A 75 75 TRP CA C 75 57.046 54.674 2.372 1
1 820 . 3 1 1 A 75 75 TRP CB C 75 32.834 33.075 -0.241 1
1 826 . 3 1 1 A 75 75 TRP N N 75 124.656 123.883 0.773 1
1 828 . 3 1 1 A 76 76 LYS H H 76 9.557 9.157 0.400 1
1 829 . 3 1 1 A 76 76 LYS HA H 76 5.192 4.534 0.658 1
1 838 . 3 1 1 A 76 76 LYS C C 76 174.801 174.867 -0.066 1
1 839 . 3 1 1 A 76 76 LYS CA C 76 54.876 54.843 0.033 1
1 840 . 3 1 1 A 76 76 LYS CB C 76 36.740 34.346 2.394 1
1 844 . 3 1 1 A 76 76 LYS N N 76 121.724 120.917 0.807 1
1 845 . 3 1 1 A 77 77 LEU H H 77 8.957 8.419 0.538 1
1 846 . 3 1 1 A 77 77 LEU HA H 77 5.272 5.518 -0.246 1
1 856 . 3 1 1 A 77 77 LEU C C 77 174.927 175.029 -0.102 1
1 857 . 3 1 1 A 77 77 LEU CA C 77 54.046 54.260 -0.214 1
1 858 . 3 1 1 A 77 77 LEU CB C 77 46.281 45.360 0.921 1
1 862 . 3 1 1 A 77 77 LEU N N 77 124.578 124.903 -0.325 1
1 863 . 3 1 1 A 78 78 GLN H H 78 8.629 8.854 -0.225 1
1 864 . 3 1 1 A 78 78 GLN HA H 78 5.308 5.748 -0.440 1
1 871 . 3 1 1 A 78 78 GLN C C 78 174.564 174.651 -0.087 1
1 872 . 3 1 1 A 78 78 GLN CA C 78 54.452 54.438 0.014 1
1 873 . 3 1 1 A 78 78 GLN CB C 78 32.833 31.834 0.999 1
1 875 . 3 1 1 A 78 78 GLN N N 78 121.344 125.684 -4.340 1
1 877 . 3 1 1 A 79 79 TRP H H 79 8.601 8.188 0.413 1
1 878 . 3 1 1 A 79 79 TRP HA H 79 5.003 4.991 0.012 1
1 887 . 3 1 1 A 79 79 TRP C C 79 173.001 174.155 -1.154 1
1 888 . 3 1 1 A 79 79 TRP CA C 79 56.323 56.585 -0.262 1
1 889 . 3 1 1 A 79 79 TRP CB C 79 32.258 31.480 0.778 1
1 895 . 3 1 1 A 79 79 TRP N N 79 128.274 123.512 4.762 1
1 897 . 3 1 1 A 80 80 ALA H H 80 9.181 9.317 -0.136 1
1 898 . 3 1 1 A 80 80 ALA HA H 80 3.933 3.920 0.013 1
1 902 . 3 1 1 A 80 80 ALA C C 80 177.360 176.294 1.066 1
1 903 . 3 1 1 A 80 80 ALA CA C 80 54.222 53.226 0.996 1
1 904 . 3 1 1 A 80 80 ALA CB C 80 17.329 17.266 0.063 1
1 905 . 3 1 1 A 80 80 ALA N N 80 126.348 121.551 4.797 1
1 906 . 3 1 1 A 81 81 LYS H H 81 8.163 8.408 -0.245 1
1 907 . 3 1 1 A 81 81 LYS HA H 81 4.290 3.719 0.571 1
1 916 . 3 1 1 A 81 81 LYS C C 81 176.068 174.557 1.511 1
1 917 . 3 1 1 A 81 81 LYS CA C 81 56.305 57.348 -1.043 1
1 918 . 3 1 1 A 81 81 LYS CB C 81 31.312 29.352 1.960 1
1 922 . 3 1 1 A 81 81 LYS N N 81 120.289 107.398 12.891 1
1 923 . 3 1 1 A 82 82 GLN H H 82 8.423 7.647 0.776 1
1 924 . 3 1 1 A 82 82 GLN HA H 82 4.255 4.730 -0.475 1
1 931 . 3 1 1 A 82 82 GLN C C 82 174.996 174.029 0.967 1
1 932 . 3 1 1 A 82 82 GLN CA C 82 54.805 53.839 0.966 1
1 933 . 3 1 1 A 82 82 GLN CB C 82 30.942 32.258 -1.316 1
1 935 . 3 1 1 A 82 82 GLN N N 82 119.918 116.428 3.490 1
1 937 . 3 1 1 A 83 83 SER H H 83 7.683 8.129 -0.446 1
1 938 . 3 1 1 A 83 83 SER HA H 83 4.991 5.546 -0.555 1
1 941 . 3 1 1 A 83 83 SER C C 83 171.947 172.687 -0.740 1
1 942 . 3 1 1 A 83 83 SER CA C 83 57.629 57.496 0.133 1
1 943 . 3 1 1 A 83 83 SER CB C 83 64.664 65.505 -0.841 1
1 944 . 3 1 1 A 83 83 SER N N 83 115.649 112.597 3.052 1
1 945 . 3 1 1 A 84 84 TRP H H 84 8.665 9.201 -0.536 1
1 946 . 3 1 1 A 84 84 TRP HA H 84 4.714 5.133 -0.419 1
1 955 . 3 1 1 A 84 84 TRP C C 84 174.105 174.898 -0.793 1
1 956 . 3 1 1 A 84 84 TRP CA C 84 56.834 56.146 0.688 1
1 957 . 3 1 1 A 84 84 TRP CB C 84 33.368 33.903 -0.535 1
1 963 . 3 1 1 A 84 84 TRP N N 84 122.334 124.379 -2.045 1
1 965 . 3 1 1 A 85 85 TYR H H 85 9.220 8.977 0.243 1
1 966 . 3 1 1 A 85 85 TYR HA H 85 5.209 5.104 0.105 1
1 973 . 3 1 1 A 85 85 TYR C C 85 175.136 174.807 0.329 1
1 974 . 3 1 1 A 85 85 TYR CA C 85 56.993 56.194 0.799 1
1 975 . 3 1 1 A 85 85 TYR CB C 85 41.058 40.584 0.474 1
1 980 . 3 1 1 A 85 85 TYR N N 85 117.934 120.064 -2.130 1
1 981 . 3 1 1 A 86 86 LEU H H 86 8.662 8.821 -0.159 1
1 982 . 3 1 1 A 86 86 LEU HA H 86 5.172 4.738 0.434 1
1 992 . 3 1 1 A 86 86 LEU C C 86 174.454 174.888 -0.434 1
1 993 . 3 1 1 A 86 86 LEU CA C 86 53.587 53.176 0.411 1
1 994 . 3 1 1 A 86 86 LEU CB C 86 43.773 42.733 1.040 1
1 998 . 3 1 1 A 86 86 LEU N N 86 121.945 124.018 -2.073 1
1 999 . 3 1 1 A 87 87 SER H H 87 8.642 8.513 0.129 1
1 1000 . 3 1 1 A 87 87 SER HA H 87 4.995 4.928 0.067 1
1 1003 . 3 1 1 A 87 87 SER C C 87 173.683 173.161 0.522 1
1 1004 . 3 1 1 A 87 87 SER CA C 87 55.052 57.546 -2.494 1
1 1005 . 3 1 1 A 87 87 SER CB C 87 65.487 64.782 0.705 1
1 1006 . 3 1 1 A 87 87 SER N N 87 111.719 121.649 -9.930 1
1 1007 . 3 1 1 A 88 88 ALA H H 88 8.472 8.581 -0.109 1
1 1008 . 3 1 1 A 88 88 ALA HA H 88 5.184 4.850 0.334 1
1 1012 . 3 1 1 A 88 88 ALA C C 88 178.012 177.671 0.341 1
1 1013 . 3 1 1 A 88 88 ALA CA C 88 49.423 50.393 -0.970 1
1 1014 . 3 1 1 A 88 88 ALA CB C 88 22.919 22.642 0.277 1
1 1015 . 3 1 1 A 88 88 ALA N N 88 126.939 124.963 1.976 1
1 1016 . 3 1 1 A 89 89 SER H H 89 8.182 8.588 -0.406 1
1 1017 . 3 1 1 A 89 89 SER HA H 89 4.274 4.215 0.059 1
1 1020 . 3 1 1 A 89 89 SER C C 89 174.039 174.493 -0.454 1
1 1021 . 3 1 1 A 89 89 SER CA C 89 60.135 61.813 -1.678 1
1 1022 . 3 1 1 A 89 89 SER CB C 89 63.571 63.007 0.564 1
1 1023 . 3 1 1 A 89 89 SER N N 89 111.359 116.611 -5.252 1
1 1024 . 3 1 1 A 90 90 SER H H 90 7.392 7.798 -0.406 1
1 1025 . 3 1 1 A 90 90 SER HA H 90 4.383 4.206 0.177 1
1 1028 . 3 1 1 A 90 90 SER C C 90 173.114 173.652 -0.538 1
1 1029 . 3 1 1 A 90 90 SER CA C 90 56.023 57.262 -1.239 1
1 1030 . 3 1 1 A 90 90 SER CB C 90 67.108 66.106 1.002 1
1 1031 . 3 1 1 A 90 90 SER N N 90 113.112 113.253 -0.141 1
1 1032 . 3 1 1 A 91 91 ALA H H 91 8.532 8.073 0.459 1
1 1033 . 3 1 1 A 91 91 ALA HA H 91 3.763 4.036 -0.273 1
1 1037 . 3 1 1 A 91 91 ALA C C 91 179.816 179.647 0.169 1
1 1038 . 3 1 1 A 91 91 ALA CA C 91 54.699 55.220 -0.521 1
1 1039 . 3 1 1 A 91 91 ALA CB C 91 18.111 18.267 -0.156 1
1 1040 . 3 1 1 A 91 91 ALA N N 91 123.767 123.816 -0.049 1
1 1041 . 3 1 1 A 92 92 GLU H H 92 8.766 7.978 0.788 1
1 1042 . 3 1 1 A 92 92 GLU HA H 92 3.942 3.987 -0.045 1
1 1047 . 3 1 1 A 92 92 GLU C C 92 179.568 179.028 0.540 1
1 1048 . 3 1 1 A 92 92 GLU CA C 92 60.206 59.553 0.653 1
1 1049 . 3 1 1 A 92 92 GLU CB C 92 28.721 29.331 -0.610 1
1 1051 . 3 1 1 A 92 92 GLU N N 92 118.712 117.955 0.757 1
1 1052 . 3 1 1 A 93 93 LEU H H 93 7.852 8.047 -0.195 1
1 1053 . 3 1 1 A 93 93 LEU HA H 93 4.274 4.167 0.107 1
1 1063 . 3 1 1 A 93 93 LEU C C 93 178.805 178.679 0.126 1
1 1064 . 3 1 1 A 93 93 LEU CA C 93 57.382 57.295 0.087 1
1 1065 . 3 1 1 A 93 93 LEU CB C 93 43.115 41.273 1.842 1
1 1069 . 3 1 1 A 93 93 LEU N N 93 121.212 121.434 -0.222 1
1 1070 . 3 1 1 A 94 94 GLN H H 94 8.080 8.437 -0.357 1
1 1071 . 3 1 1 A 94 94 GLN HA H 94 3.843 4.364 -0.521 1
1 1078 . 3 1 1 A 94 94 GLN C C 94 176.960 178.162 -1.202 1
1 1079 . 3 1 1 A 94 94 GLN CA C 94 59.694 58.699 0.995 1
1 1080 . 3 1 1 A 94 94 GLN CB C 94 28.063 28.702 -0.639 1
1 1082 . 3 1 1 A 94 94 GLN N N 94 120.439 119.135 1.304 1
1 1084 . 3 1 1 A 95 95 GLN H H 95 8.293 7.671 0.622 1
1 1085 . 3 1 1 A 95 95 GLN HA H 95 3.779 4.085 -0.306 1
1 1092 . 3 1 1 A 95 95 GLN C C 95 177.938 178.216 -0.278 1
1 1093 . 3 1 1 A 95 95 GLN CA C 95 59.005 58.707 0.298 1
1 1094 . 3 1 1 A 95 95 GLN CB C 95 27.610 28.849 -1.239 1
1 1096 . 3 1 1 A 95 95 GLN N N 95 117.408 118.843 -1.435 1
1 1098 . 3 1 1 A 96 96 GLN H H 96 7.731 7.875 -0.144 1
1 1099 . 3 1 1 A 96 96 GLN HA H 96 3.966 4.003 -0.037 1
1 1106 . 3 1 1 A 96 96 GLN C C 96 179.685 177.379 2.306 1
1 1107 . 3 1 1 A 96 96 GLN CA C 96 58.987 58.021 0.966 1
1 1108 . 3 1 1 A 96 96 GLN CB C 96 28.433 27.958 0.475 1
1 1110 . 3 1 1 A 96 96 GLN N N 96 119.621 117.037 2.584 1
1 1112 . 3 1 1 A 97 97 TRP H H 97 8.410 7.298 1.112 1
1 1113 . 3 1 1 A 97 97 TRP HA H 97 3.792 4.453 -0.661 1
1 1122 . 3 1 1 A 97 97 TRP C C 97 178.515 178.824 -0.309 1
1 1123 . 3 1 1 A 97 97 TRP CA C 97 61.670 59.869 1.801 1
1 1124 . 3 1 1 A 97 97 TRP CB C 97 29.972 29.974 -0.002 1
1 1130 . 3 1 1 A 97 97 TRP N N 97 121.370 120.006 1.364 1
1 1132 . 3 1 1 A 98 98 LEU H H 98 8.505 7.901 0.604 1
1 1133 . 3 1 1 A 98 98 LEU HA H 98 3.485 3.573 -0.088 1
1 1143 . 3 1 1 A 98 98 LEU C C 98 180.194 178.945 1.249 1
1 1144 . 3 1 1 A 98 98 LEU CA C 98 58.706 57.906 0.800 1
1 1145 . 3 1 1 A 98 98 LEU CB C 98 41.141 41.055 0.086 1
1 1149 . 3 1 1 A 98 98 LEU N N 98 119.038 119.928 -0.890 1
1 1150 . 3 1 1 A 99 99 GLU H H 99 8.241 8.338 -0.097 1
1 1151 . 3 1 1 A 99 99 GLU HA H 99 3.927 3.954 -0.027 1
1 1156 . 3 1 1 A 99 99 GLU C C 99 179.082 179.182 -0.100 1
1 1157 . 3 1 1 A 99 99 GLU CA C 99 59.587 59.401 0.186 1
1 1158 . 3 1 1 A 99 99 GLU CB C 99 29.296 29.372 -0.076 1
1 1160 . 3 1 1 A 99 99 GLU N N 99 119.886 118.132 1.754 1
1 1161 . 3 1 1 A 100 100 THR H H 100 7.780 7.787 -0.007 1
1 1162 . 3 1 1 A 100 100 THR HA H 100 3.862 4.151 -0.289 1
1 1167 . 3 1 1 A 100 100 THR C C 100 176.899 176.596 0.303 1
1 1168 . 3 1 1 A 100 100 THR CA C 100 67.088 67.664 -0.576 1
1 1169 . 3 1 1 A 100 100 THR CB C 100 68.178 68.130 0.048 1
1 1171 . 3 1 1 A 100 100 THR N N 100 116.913 115.260 1.653 1
1 1172 . 3 1 1 A 101 101 LEU H H 101 9.159 8.209 0.950 1
1 1173 . 3 1 1 A 101 101 LEU HA H 101 3.993 3.886 0.107 1
1 1183 . 3 1 1 A 101 101 LEU C C 101 178.416 178.940 -0.524 1
1 1184 . 3 1 1 A 101 101 LEU CA C 101 58.017 58.017 0.000 1
1 1185 . 3 1 1 A 101 101 LEU CB C 101 42.004 42.027 -0.023 1
1 1189 . 3 1 1 A 101 101 LEU N N 101 121.065 121.688 -0.623 1
1 1190 . 3 1 1 A 102 102 SER H H 102 7.978 8.060 -0.082 1
1 1191 . 3 1 1 A 102 102 SER HA H 102 4.094 4.054 0.040 1
1 1194 . 3 1 1 A 102 102 SER C C 102 176.370 176.219 0.151 1
1 1195 . 3 1 1 A 102 102 SER CA C 102 61.794 62.572 -0.778 1
1 1196 . 3 1 1 A 102 102 SER CB C 102 62.855 63.220 -0.365 1
1 1197 . 3 1 1 A 102 102 SER N N 102 112.923 114.202 -1.279 1
1 1198 . 3 1 1 A 103 103 THR H H 103 7.683 8.470 -0.787 1
1 1199 . 3 1 1 A 103 103 THR HA H 103 4.020 3.863 0.157 1
1 1204 . 3 1 1 A 103 103 THR C C 103 176.061 177.253 -1.192 1
1 1205 . 3 1 1 A 103 103 THR CA C 103 65.412 66.757 -1.345 1
1 1206 . 3 1 1 A 103 103 THR CB C 103 68.918 68.509 0.409 1
1 1208 . 3 1 1 A 103 103 THR N N 103 116.420 117.375 -0.955 1
1 1209 . 3 1 1 A 104 104 ALA H H 104 7.760 7.884 -0.124 1
1 1210 . 3 1 1 A 104 104 ALA HA H 104 4.272 4.235 0.037 1
1 1214 . 3 1 1 A 104 104 ALA C C 104 178.160 178.195 -0.035 1
1 1215 . 3 1 1 A 104 104 ALA CA C 104 54.011 53.661 0.350 1
1 1216 . 3 1 1 A 104 104 ALA CB C 104 20.155 18.348 1.807 1
1 1217 . 3 1 1 A 104 104 ALA N N 104 123.981 123.100 0.881 1
1 1218 . 3 1 1 A 105 105 ALA H H 105 7.824 7.773 0.051 1
1 1219 . 3 1 1 A 105 105 ALA HA H 105 4.092 4.467 -0.375 1
1 1223 . 3 1 1 A 105 105 ALA C C 105 177.657 177.171 0.486 1
1 1224 . 3 1 1 A 105 105 ALA CA C 105 53.058 51.255 1.803 1
1 1225 . 3 1 1 A 105 105 ALA CB C 105 19.067 18.759 0.308 1
1 1226 . 3 1 1 A 105 105 ALA N N 105 118.227 120.133 -1.906 1
1 1227 . 3 1 1 A 106 106 HIS H H 106 7.675 7.604 0.071 1
1 1228 . 3 1 1 A 106 106 HIS HA H 106 4.703 4.416 0.287 1
1 1233 . 3 1 1 A 106 106 HIS C C 106 175.296 175.708 -0.412 1
1 1234 . 3 1 1 A 106 106 HIS CA C 106 56.287 56.265 0.022 1
1 1235 . 3 1 1 A 106 106 HIS CB C 106 30.407 29.912 0.495 1
1 1238 . 3 1 1 A 106 106 HIS N N 106 115.860 116.097 -0.237 1
1 1239 . 3 1 1 A 107 107 SER H H 107 8.015 8.930 -0.915 1
1 1240 . 3 1 1 A 107 107 SER HA H 107 4.560 4.107 0.453 1
1 1243 . 3 1 1 A 107 107 SER C C 107 174.345 174.320 0.025 1
1 1244 . 3 1 1 A 107 107 SER CA C 107 58.546 59.981 -1.435 1
1 1245 . 3 1 1 A 107 107 SER CB C 107 64.130 63.940 0.190 1
1 1246 . 3 1 1 A 107 107 SER N N 107 116.310 118.305 -1.995 1
1 1247 . 3 1 1 A 108 108 GLY H H 108 8.282 7.256 1.026 1
1 1248 . 3 1 1 A 108 108 GLY HA2 H 108 4.213 4.090 0.123 1
1 1249 . 3 1 1 A 108 108 GLY HA3 H 108 4.042 4.125 -0.083 1
1 1250 . 3 1 1 A 108 108 GLY C C 108 171.750 173.757 -2.007 1
1 1251 . 3 1 1 A 108 108 GLY CA C 108 44.640 44.307 0.333 1
1 1252 . 3 1 1 A 108 108 GLY N N 108 110.511 106.659 3.852 1
1 1253 . 3 1 1 A 109 109 PRO HA H 109 4.497 4.546 -0.049 1
1 1260 . 3 1 1 A 109 109 PRO C C 109 177.419 176.147 1.272 1
1 1261 . 3 1 1 A 109 109 PRO CA C 109 63.241 64.081 -0.840 1
1 1262 . 3 1 1 A 109 109 PRO CB C 109 32.264 31.971 0.293 1
1 1265 . 3 1 1 A 110 110 SER H H 110 8.558 7.613 0.945 1
1 1266 . 3 1 1 A 110 110 SER C C 110 174.715 172.365 2.350 1
1 1267 . 3 1 1 A 110 110 SER CA C 110 58.335 57.195 1.140 1
1 1268 . 3 1 1 A 110 110 SER CB C 110 63.759 65.049 -1.290 1
1 1269 . 3 1 1 A 110 110 SER N N 110 116.470 112.421 4.049 1
1 1270 . 3 1 1 A 111 111 SER H H 111 8.357 8.711 -0.354 1
1 1271 . 3 1 1 A 111 111 SER C C 111 173.931 174.443 -0.512 1
1 1272 . 3 1 1 A 111 111 SER CA C 111 58.335 59.280 -0.945 1
1 1 . 4 1 1 A 8 8 SER HA H 8 5.012 4.924 0.088 1
1 4 . 4 1 1 A 8 8 SER CA C 8 58.166 57.597 0.569 1
1 5 . 4 1 1 A 8 8 SER CB C 8 64.582 64.927 -0.345 1
1 6 . 4 1 1 A 9 9 LEU H H 9 9.253 8.521 0.732 1
1 7 . 4 1 1 A 9 9 LEU HA H 9 4.091 3.939 0.152 1
1 17 . 4 1 1 A 9 9 LEU C C 9 176.799 176.629 0.170 1
1 18 . 4 1 1 A 9 9 LEU CA C 9 57.523 57.711 -0.188 1
1 19 . 4 1 1 A 9 9 LEU CB C 9 42.703 42.134 0.569 1
1 23 . 4 1 1 A 9 9 LEU N N 9 127.432 127.295 0.137 1
1 24 . 4 1 1 A 10 10 LEU H H 10 6.827 7.626 -0.799 1
1 25 . 4 1 1 A 10 10 LEU HA H 10 4.201 4.539 -0.338 1
1 35 . 4 1 1 A 10 10 LEU C C 10 173.779 174.144 -0.365 1
1 36 . 4 1 1 A 10 10 LEU CA C 10 54.399 54.225 0.174 1
1 37 . 4 1 1 A 10 10 LEU CB C 10 45.006 45.336 -0.330 1
1 41 . 4 1 1 A 10 10 LEU N N 10 116.105 116.827 -0.722 1
1 42 . 4 1 1 A 11 11 CYS H H 11 7.989 8.699 -0.710 1
1 43 . 4 1 1 A 11 11 CYS HA H 11 5.743 5.429 0.314 1
1 46 . 4 1 1 A 11 11 CYS C C 11 172.654 173.129 -0.475 1
1 47 . 4 1 1 A 11 11 CYS CA C 11 55.546 57.014 -1.468 1
1 48 . 4 1 1 A 11 11 CYS CB C 11 31.333 31.081 0.252 1
1 49 . 4 1 1 A 11 11 CYS N N 11 117.939 121.967 -4.028 1
1 50 . 4 1 1 A 12 12 GLY H H 12 8.479 7.496 0.983 1
1 51 . 4 1 1 A 12 12 GLY HA2 H 12 4.419 3.849 0.570 1
1 52 . 4 1 1 A 12 12 GLY HA3 H 12 2.832 4.109 -1.277 1
1 53 . 4 1 1 A 12 12 GLY C C 12 168.720 171.395 -2.675 1
1 54 . 4 1 1 A 12 12 GLY CA C 12 44.710 44.894 -0.184 1
1 55 . 4 1 1 A 12 12 GLY N N 12 109.046 106.659 2.387 1
1 56 . 4 1 1 A 13 13 PRO HA H 13 5.163 4.505 0.658 1
1 63 . 4 1 1 A 13 13 PRO C C 13 177.501 175.159 2.342 1
1 64 . 4 1 1 A 13 13 PRO CA C 13 62.182 63.215 -1.033 1
1 65 . 4 1 1 A 13 13 PRO CB C 13 32.587 32.195 0.392 1
1 68 . 4 1 1 A 14 14 LEU H H 14 8.630 8.475 0.155 1
1 69 . 4 1 1 A 14 14 LEU HA H 14 4.764 4.928 -0.164 1
1 79 . 4 1 1 A 14 14 LEU C C 14 175.698 174.080 1.618 1
1 80 . 4 1 1 A 14 14 LEU CA C 14 53.975 53.048 0.927 1
1 81 . 4 1 1 A 14 14 LEU CB C 14 48.936 45.288 3.648 1
1 85 . 4 1 1 A 14 14 LEU N N 14 122.246 123.837 -1.591 1
1 86 . 4 1 1 A 15 15 ARG H H 15 8.498 8.310 0.188 1
1 87 . 4 1 1 A 15 15 ARG HA H 15 5.421 5.285 0.136 1
1 95 . 4 1 1 A 15 15 ARG C C 15 174.664 174.902 -0.238 1
1 96 . 4 1 1 A 15 15 ARG CA C 15 54.858 54.316 0.542 1
1 97 . 4 1 1 A 15 15 ARG CB C 15 34.085 34.028 0.057 1
1 100 . 4 1 1 A 15 15 ARG N N 15 118.593 123.075 -4.482 1
1 102 . 4 1 1 A 16 16 LEU H H 16 9.244 8.650 0.594 1
1 103 . 4 1 1 A 16 16 LEU HA H 16 5.662 5.391 0.271 1
1 113 . 4 1 1 A 16 16 LEU C C 16 176.872 174.432 2.440 1
1 114 . 4 1 1 A 16 16 LEU CA C 16 53.746 53.775 -0.029 1
1 115 . 4 1 1 A 16 16 LEU CB C 16 47.803 46.461 1.342 1
1 119 . 4 1 1 A 16 16 LEU N N 16 123.893 124.164 -0.271 1
1 120 . 4 1 1 A 17 17 SER H H 17 8.982 8.824 0.158 1
1 121 . 4 1 1 A 17 17 SER HA H 17 4.484 5.261 -0.777 1
1 124 . 4 1 1 A 17 17 SER C C 17 173.790 172.500 1.290 1
1 125 . 4 1 1 A 17 17 SER CA C 17 57.081 57.291 -0.210 1
1 126 . 4 1 1 A 17 17 SER CB C 17 64.487 65.043 -0.556 1
1 127 . 4 1 1 A 17 17 SER N N 17 117.455 118.815 -1.360 1
1 128 . 4 1 1 A 18 18 GLU H H 18 9.102 8.715 0.387 1
1 129 . 4 1 1 A 18 18 GLU HA H 18 3.832 3.634 0.198 1
1 134 . 4 1 1 A 18 18 GLU C C 18 176.185 176.989 -0.804 1
1 135 . 4 1 1 A 18 18 GLU CA C 18 58.793 57.618 1.175 1
1 136 . 4 1 1 A 18 18 GLU CB C 18 30.037 29.002 1.035 1
1 138 . 4 1 1 A 18 18 GLU N N 18 129.354 126.806 2.548 1
1 139 . 4 1 1 A 19 19 SER H H 19 7.792 9.050 -1.258 1
1 140 . 4 1 1 A 19 19 SER HA H 19 4.650 4.086 0.564 1
1 143 . 4 1 1 A 19 19 SER C C 19 175.321 174.374 0.947 1
1 144 . 4 1 1 A 19 19 SER CA C 19 57.699 59.346 -1.647 1
1 145 . 4 1 1 A 19 19 SER CB C 19 65.816 61.701 4.115 1
1 146 . 4 1 1 A 19 19 SER N N 19 108.812 120.875 -12.063 1
1 147 . 4 1 1 A 20 20 GLY H H 20 8.376 8.505 -0.129 1
1 148 . 4 1 1 A 20 20 GLY HA2 H 20 3.931 3.484 0.447 1
1 149 . 4 1 1 A 20 20 GLY HA3 H 20 2.690 3.841 -1.151 1
1 150 . 4 1 1 A 20 20 GLY C C 20 172.644 174.967 -2.323 1
1 151 . 4 1 1 A 20 20 GLY CA C 20 44.746 46.659 -1.913 1
1 152 . 4 1 1 A 20 20 GLY N N 20 111.458 106.230 5.228 1
1 153 . 4 1 1 A 21 21 GLU H H 21 7.522 7.956 -0.434 1
1 154 . 4 1 1 A 21 21 GLU HA H 21 4.274 4.537 -0.263 1
1 159 . 4 1 1 A 21 21 GLU C C 21 176.266 175.948 0.318 1
1 160 . 4 1 1 A 21 21 GLU CA C 21 58.069 56.867 1.202 1
1 161 . 4 1 1 A 21 21 GLU CB C 21 31.024 31.834 -0.810 1
1 163 . 4 1 1 A 21 21 GLU N N 21 119.071 118.097 0.974 1
1 164 . 4 1 1 A 22 22 THR H H 22 7.436 7.878 -0.442 1
1 165 . 4 1 1 A 22 22 THR HA H 22 4.618 4.766 -0.148 1
1 170 . 4 1 1 A 22 22 THR C C 22 173.662 172.738 0.924 1
1 171 . 4 1 1 A 22 22 THR CA C 22 60.682 60.590 0.092 1
1 172 . 4 1 1 A 22 22 THR CB C 22 70.504 70.900 -0.396 1
1 174 . 4 1 1 A 22 22 THR N N 22 111.176 108.989 2.187 1
1 175 . 4 1 1 A 23 23 TRP H H 23 9.121 8.926 0.195 1
1 176 . 4 1 1 A 23 23 TRP HA H 23 4.983 5.485 -0.502 1
1 185 . 4 1 1 A 23 23 TRP C C 23 175.888 176.794 -0.906 1
1 186 . 4 1 1 A 23 23 TRP CA C 23 56.570 56.849 -0.279 1
1 187 . 4 1 1 A 23 23 TRP CB C 23 32.176 30.875 1.301 1
1 193 . 4 1 1 A 23 23 TRP N N 23 127.096 127.637 -0.541 1
1 195 . 4 1 1 A 24 24 SER H H 24 9.273 9.343 -0.070 1
1 196 . 4 1 1 A 24 24 SER HA H 24 4.948 5.206 -0.258 1
1 199 . 4 1 1 A 24 24 SER C C 24 173.268 173.314 -0.046 1
1 200 . 4 1 1 A 24 24 SER CA C 24 57.346 57.366 -0.020 1
1 201 . 4 1 1 A 24 24 SER CB C 24 65.445 66.611 -1.166 1
1 202 . 4 1 1 A 24 24 SER N N 24 118.031 118.740 -0.709 1
1 203 . 4 1 1 A 25 25 GLU H H 25 8.990 8.492 0.498 1
1 204 . 4 1 1 A 25 25 GLU HA H 25 4.737 5.013 -0.276 1
1 209 . 4 1 1 A 25 25 GLU C C 25 176.246 176.474 -0.228 1
1 210 . 4 1 1 A 25 25 GLU CA C 25 57.170 56.183 0.987 1
1 211 . 4 1 1 A 25 25 GLU CB C 25 30.202 30.556 -0.354 1
1 213 . 4 1 1 A 25 25 GLU N N 25 125.088 122.533 2.555 1
1 214 . 4 1 1 A 26 26 VAL H H 26 9.012 8.970 0.042 1
1 215 . 4 1 1 A 26 26 VAL HA H 26 5.002 4.956 0.046 1
1 223 . 4 1 1 A 26 26 VAL C C 26 174.304 173.457 0.847 1
1 224 . 4 1 1 A 26 26 VAL CA C 26 58.917 59.448 -0.531 1
1 225 . 4 1 1 A 26 26 VAL CB C 26 35.753 36.057 -0.304 1
1 228 . 4 1 1 A 26 26 VAL N N 26 118.076 118.015 0.061 1
1 229 . 4 1 1 A 27 27 TRP H H 27 8.880 8.901 -0.021 1
1 230 . 4 1 1 A 27 27 TRP HA H 27 4.814 5.532 -0.718 1
1 239 . 4 1 1 A 27 27 TRP C C 27 174.255 174.201 0.054 1
1 240 . 4 1 1 A 27 27 TRP CA C 27 57.117 55.215 1.902 1
1 241 . 4 1 1 A 27 27 TRP CB C 27 30.325 33.160 -2.835 1
1 247 . 4 1 1 A 27 27 TRP N N 27 122.873 124.952 -2.079 1
1 249 . 4 1 1 A 28 28 ALA H H 28 8.482 8.355 0.127 1
1 250 . 4 1 1 A 28 28 ALA HA H 28 5.329 5.347 -0.018 1
1 254 . 4 1 1 A 28 28 ALA C C 28 175.519 175.741 -0.222 1
1 255 . 4 1 1 A 28 28 ALA CA C 28 49.670 50.092 -0.422 1
1 256 . 4 1 1 A 28 28 ALA CB C 28 23.827 21.531 2.296 1
1 257 . 4 1 1 A 28 28 ALA N N 28 133.586 129.764 3.822 1
1 258 . 4 1 1 A 29 29 ALA H H 29 8.948 8.816 0.132 1
1 259 . 4 1 1 A 29 29 ALA HA H 29 5.160 5.296 -0.136 1
1 263 . 4 1 1 A 29 29 ALA C C 29 175.956 176.168 -0.212 1
1 264 . 4 1 1 A 29 29 ALA CA C 29 52.210 51.742 0.468 1
1 265 . 4 1 1 A 29 29 ALA CB C 29 23.697 23.740 -0.043 1
1 266 . 4 1 1 A 29 29 ALA N N 29 119.901 123.488 -3.587 1
1 267 . 4 1 1 A 30 30 ILE H H 30 8.245 8.701 -0.456 1
1 268 . 4 1 1 A 30 30 ILE HA H 30 5.313 4.637 0.676 1
1 278 . 4 1 1 A 30 30 ILE C C 30 174.004 174.302 -0.298 1
1 279 . 4 1 1 A 30 30 ILE CA C 30 57.699 57.338 0.361 1
1 280 . 4 1 1 A 30 30 ILE CB C 30 40.565 40.194 0.371 1
1 284 . 4 1 1 A 30 30 ILE N N 30 122.332 120.680 1.652 1
1 285 . 4 1 1 A 31 31 PRO HA H 31 4.655 4.676 -0.021 1
1 292 . 4 1 1 A 31 31 PRO C C 31 177.566 178.046 -0.480 1
1 293 . 4 1 1 A 31 31 PRO CA C 31 62.464 62.349 0.115 1
1 294 . 4 1 1 A 31 31 PRO CB C 31 31.929 31.473 0.456 1
1 297 . 4 1 1 A 32 32 MET H H 32 8.572 8.642 -0.070 1
1 298 . 4 1 1 A 32 32 MET HA H 32 3.997 4.110 -0.113 1
1 306 . 4 1 1 A 32 32 MET C C 32 177.770 178.271 -0.501 1
1 307 . 4 1 1 A 32 32 MET CA C 32 58.158 58.657 -0.499 1
1 308 . 4 1 1 A 32 32 MET CB C 32 31.929 32.027 -0.098 1
1 311 . 4 1 1 A 32 32 MET N N 32 121.580 124.295 -2.715 1
1 312 . 4 1 1 A 33 33 SER H H 33 8.163 8.240 -0.077 1
1 313 . 4 1 1 A 33 33 SER HA H 33 4.213 4.296 -0.083 1
1 316 . 4 1 1 A 33 33 SER C C 33 174.424 174.220 0.204 1
1 317 . 4 1 1 A 33 33 SER CA C 33 58.864 61.400 -2.536 1
1 318 . 4 1 1 A 33 33 SER CB C 33 63.225 62.904 0.321 1
1 319 . 4 1 1 A 33 33 SER N N 33 109.218 116.117 -6.899 1
1 320 . 4 1 1 A 34 34 ASP H H 34 7.179 7.930 -0.751 1
1 321 . 4 1 1 A 34 34 ASP HA H 34 4.912 5.095 -0.183 1
1 324 . 4 1 1 A 34 34 ASP C C 34 171.847 174.227 -2.380 1
1 325 . 4 1 1 A 34 34 ASP CA C 34 52.581 51.200 1.381 1
1 326 . 4 1 1 A 34 34 ASP CB C 34 41.223 41.397 -0.174 1
1 327 . 4 1 1 A 34 34 ASP N N 34 120.601 120.165 0.436 1
1 328 . 4 1 1 A 35 35 PRO HA H 35 4.510 4.557 -0.047 1
1 335 . 4 1 1 A 35 35 PRO C C 35 175.635 176.045 -0.410 1
1 336 . 4 1 1 A 35 35 PRO CA C 35 64.511 63.960 0.551 1
1 337 . 4 1 1 A 35 35 PRO CB C 35 31.729 32.093 -0.364 1
1 340 . 4 1 1 A 36 36 GLN H H 36 7.982 8.345 -0.363 1
1 341 . 4 1 1 A 36 36 GLN HA H 36 4.472 4.487 -0.015 1
1 348 . 4 1 1 A 36 36 GLN C C 36 174.646 174.880 -0.234 1
1 349 . 4 1 1 A 36 36 GLN CA C 36 55.193 55.944 -0.751 1
1 350 . 4 1 1 A 36 36 GLN CB C 36 29.420 29.675 -0.255 1
1 352 . 4 1 1 A 36 36 GLN N N 36 114.393 118.026 -3.633 1
1 354 . 4 1 1 A 37 37 VAL H H 37 7.878 7.656 0.222 1
1 355 . 4 1 1 A 37 37 VAL HA H 37 4.546 4.685 -0.139 1
1 363 . 4 1 1 A 37 37 VAL C C 37 172.485 172.751 -0.266 1
1 364 . 4 1 1 A 37 37 VAL CA C 37 60.987 60.292 0.695 1
1 365 . 4 1 1 A 37 37 VAL CB C 37 35.218 34.925 0.293 1
1 368 . 4 1 1 A 37 37 VAL N N 37 120.432 119.468 0.964 1
1 369 . 4 1 1 A 38 38 LEU H H 38 7.992 8.848 -0.856 1
1 370 . 4 1 1 A 38 38 LEU HA H 38 4.770 5.273 -0.503 1
1 380 . 4 1 1 A 38 38 LEU C C 38 175.193 174.960 0.233 1
1 381 . 4 1 1 A 38 38 LEU CA C 38 53.146 53.030 0.116 1
1 382 . 4 1 1 A 38 38 LEU CB C 38 45.359 44.913 0.446 1
1 386 . 4 1 1 A 38 38 LEU N N 38 123.585 129.357 -5.772 1
1 387 . 4 1 1 A 39 39 HIS H H 39 9.442 9.046 0.396 1
1 388 . 4 1 1 A 39 39 HIS HA H 39 5.212 5.321 -0.109 1
1 393 . 4 1 1 A 39 39 HIS C C 39 175.351 175.274 0.077 1
1 394 . 4 1 1 A 39 39 HIS CA C 39 55.211 55.508 -0.297 1
1 395 . 4 1 1 A 39 39 HIS CB C 39 32.669 31.138 1.531 1
1 398 . 4 1 1 A 39 39 HIS N N 39 126.949 126.655 0.294 1
1 399 . 4 1 1 A 40 40 LEU H H 40 8.424 8.816 -0.392 1
1 400 . 4 1 1 A 40 40 LEU HA H 40 5.082 5.236 -0.154 1
1 410 . 4 1 1 A 40 40 LEU C C 40 176.050 176.151 -0.101 1
1 411 . 4 1 1 A 40 40 LEU CA C 40 53.552 53.426 0.126 1
1 412 . 4 1 1 A 40 40 LEU CB C 40 44.019 44.867 -0.848 1
1 416 . 4 1 1 A 40 40 LEU N N 40 122.395 123.858 -1.463 1
1 417 . 4 1 1 A 41 41 GLN H H 41 8.972 9.023 -0.051 1
1 418 . 4 1 1 A 41 41 GLN HA H 41 4.723 4.951 -0.228 1
1 425 . 4 1 1 A 41 41 GLN C C 41 175.453 175.520 -0.067 1
1 426 . 4 1 1 A 41 41 GLN CA C 41 54.840 54.669 0.171 1
1 427 . 4 1 1 A 41 41 GLN CB C 41 31.946 30.631 1.315 1
1 429 . 4 1 1 A 41 41 GLN N N 41 121.779 121.278 0.501 1
1 431 . 4 1 1 A 42 42 GLY H H 42 8.739 8.437 0.302 1
1 432 . 4 1 1 A 42 42 GLY HA2 H 42 4.252 4.158 0.094 1
1 433 . 4 1 1 A 42 42 GLY HA3 H 42 4.200 4.164 0.036 1
1 434 . 4 1 1 A 42 42 GLY C C 42 173.938 173.140 0.798 1
1 435 . 4 1 1 A 42 42 GLY CA C 42 44.746 45.596 -0.850 1
1 436 . 4 1 1 A 42 42 GLY N N 42 112.892 110.626 2.266 1
1 437 . 4 1 1 A 43 43 GLY H H 43 8.709 8.589 0.120 1
1 438 . 4 1 1 A 43 43 GLY HA2 H 43 4.110 4.131 -0.021 1
1 439 . 4 1 1 A 43 43 GLY HA3 H 43 3.962 4.154 -0.192 1
1 440 . 4 1 1 A 43 43 GLY C C 43 174.713 174.826 -0.113 1
1 441 . 4 1 1 A 43 43 GLY CA C 43 45.346 45.527 -0.181 1
1 442 . 4 1 1 A 43 43 GLY N N 43 108.768 111.501 -2.733 1
1 443 . 4 1 1 A 44 44 SER H H 44 8.369 8.625 -0.256 1
1 444 . 4 1 1 A 44 44 SER C C 44 175.312 176.686 -1.374 1
1 445 . 4 1 1 A 44 44 SER CA C 44 58.723 59.390 -0.667 1
1 446 . 4 1 1 A 44 44 SER CB C 44 63.924 64.280 -0.356 1
1 447 . 4 1 1 A 44 44 SER N N 44 115.582 116.445 -0.863 1
1 448 . 4 1 1 A 45 45 GLN HA H 45 4.346 4.067 0.279 1
1 455 . 4 1 1 A 45 45 GLN C C 45 175.931 177.208 -1.277 1
1 456 . 4 1 1 A 45 45 GLN CA C 45 56.358 58.441 -2.083 1
1 457 . 4 1 1 A 45 45 GLN CB C 45 28.392 27.592 0.800 1
1 460 . 4 1 1 A 46 46 ASP H H 46 8.053 7.797 0.256 1
1 461 . 4 1 1 A 46 46 ASP HA H 46 4.615 4.684 -0.069 1
1 464 . 4 1 1 A 46 46 ASP C C 46 176.998 176.429 0.569 1
1 465 . 4 1 1 A 46 46 ASP CA C 46 54.188 55.080 -0.892 1
1 466 . 4 1 1 A 46 46 ASP CB C 46 41.099 42.400 -1.301 1
1 467 . 4 1 1 A 46 46 ASP N N 46 119.460 119.466 -0.006 1
1 468 . 4 1 1 A 47 47 GLY H H 47 8.311 7.738 0.573 1
1 469 . 4 1 1 A 47 47 GLY HA2 H 47 3.970 3.961 0.009 1
1 470 . 4 1 1 A 47 47 GLY HA3 H 47 3.970 3.969 0.001 1
1 471 . 4 1 1 A 47 47 GLY C C 47 174.725 175.916 -1.191 1
1 472 . 4 1 1 A 47 47 GLY CA C 47 45.892 45.332 0.560 1
1 473 . 4 1 1 A 47 47 GLY N N 47 109.753 107.455 2.298 1
1 474 . 4 1 1 A 48 48 ARG H H 48 8.300 8.107 0.193 1
1 475 . 4 1 1 A 48 48 ARG HA H 48 4.308 3.981 0.327 1
1 482 . 4 1 1 A 48 48 ARG C C 48 176.347 177.056 -0.709 1
1 483 . 4 1 1 A 48 48 ARG CA C 48 56.782 59.001 -2.219 1
1 484 . 4 1 1 A 48 48 ARG CB C 48 30.654 30.172 0.482 1
1 487 . 4 1 1 A 48 48 ARG N N 48 119.526 120.515 -0.989 1
1 488 . 4 1 1 A 49 49 LEU H H 49 7.682 7.572 0.110 1
1 489 . 4 1 1 A 49 49 LEU HA H 49 4.252 3.939 0.313 1
1 499 . 4 1 1 A 49 49 LEU C C 49 174.707 175.444 -0.737 1
1 500 . 4 1 1 A 49 49 LEU CA C 49 53.040 53.668 -0.628 1
1 501 . 4 1 1 A 49 49 LEU CB C 49 41.759 42.090 -0.331 1
1 505 . 4 1 1 A 49 49 LEU N N 49 121.049 121.485 -0.436 1
1 506 . 4 1 1 A 50 50 PRO HA H 50 4.392 4.454 -0.062 1
1 513 . 4 1 1 A 50 50 PRO C C 50 175.058 177.202 -2.144 1
1 514 . 4 1 1 A 50 50 PRO CA C 50 62.323 63.411 -1.088 1
1 515 . 4 1 1 A 50 50 PRO CB C 50 31.353 32.552 -1.199 1
1 518 . 4 1 1 A 51 51 ARG H H 51 8.295 8.995 -0.700 1
1 519 . 4 1 1 A 51 51 ARG HA H 51 4.511 4.273 0.238 1
1 526 . 4 1 1 A 51 51 ARG C C 51 177.443 175.948 1.495 1
1 527 . 4 1 1 A 51 51 ARG CA C 51 56.728 58.393 -1.665 1
1 528 . 4 1 1 A 51 51 ARG CB C 51 31.194 31.175 0.019 1
1 531 . 4 1 1 A 51 51 ARG N N 51 119.201 120.797 -1.596 1
1 532 . 4 1 1 A 52 52 THR H H 52 7.372 7.779 -0.407 1
1 533 . 4 1 1 A 52 52 THR HA H 52 4.963 4.601 0.362 1
1 538 . 4 1 1 A 52 52 THR C C 52 173.287 173.425 -0.138 1
1 539 . 4 1 1 A 52 52 THR CA C 52 59.411 60.729 -1.318 1
1 540 . 4 1 1 A 52 52 THR CB C 52 71.632 70.660 0.972 1
1 542 . 4 1 1 A 52 52 THR N N 52 109.591 110.478 -0.887 1
1 543 . 4 1 1 A 53 53 ILE H H 53 8.742 8.801 -0.059 1
1 544 . 4 1 1 A 53 53 ILE HA H 53 3.845 4.610 -0.765 1
1 554 . 4 1 1 A 53 53 ILE C C 53 173.374 174.570 -1.196 1
1 555 . 4 1 1 A 53 53 ILE CA C 53 57.735 57.418 0.317 1
1 556 . 4 1 1 A 53 53 ILE CB C 53 41.196 38.901 2.295 1
1 560 . 4 1 1 A 53 53 ILE N N 53 123.236 126.944 -3.708 1
1 561 . 4 1 1 A 54 54 PRO HA H 54 4.541 4.652 -0.111 1
1 568 . 4 1 1 A 54 54 PRO CA C 54 61.292 62.309 -1.017 1
1 569 . 4 1 1 A 54 54 PRO CB C 54 30.119 31.443 -1.324 1
1 572 . 4 1 1 A 55 55 LEU H H 55 8.146 8.459 -0.313 1
1 573 . 4 1 1 A 55 55 LEU HA H 55 4.262 3.845 0.417 1
1 583 . 4 1 1 A 55 55 LEU CA C 55 58.660 58.912 -0.252 1
1 584 . 4 1 1 A 55 55 LEU CB C 55 39.660 39.573 0.087 1
1 588 . 4 1 1 A 55 55 LEU N N 55 127.224 123.769 3.455 1
1 589 . 4 1 1 A 56 56 PRO HA H 56 4.630 4.407 0.223 1
1 596 . 4 1 1 A 56 56 PRO C C 56 177.498 178.021 -0.523 1
1 597 . 4 1 1 A 56 56 PRO CA C 56 65.782 65.181 0.601 1
1 598 . 4 1 1 A 56 56 PRO CB C 56 31.188 31.621 -0.433 1
1 601 . 4 1 1 A 57 57 SER H H 57 7.722 7.924 -0.202 1
1 602 . 4 1 1 A 57 57 SER HA H 57 4.723 4.754 -0.031 1
1 605 . 4 1 1 A 57 57 SER C C 57 174.102 174.036 0.066 1
1 606 . 4 1 1 A 57 57 SER CA C 57 58.423 58.599 -0.176 1
1 607 . 4 1 1 A 57 57 SER CB C 57 63.924 65.069 -1.145 1
1 608 . 4 1 1 A 57 57 SER N N 57 110.169 111.248 -1.079 1
1 609 . 4 1 1 A 58 58 CYS H H 58 8.002 7.342 0.660 1
1 610 . 4 1 1 A 58 58 CYS HA H 58 5.282 4.391 0.891 1
1 613 . 4 1 1 A 58 58 CYS C C 58 174.525 174.272 0.253 1
1 614 . 4 1 1 A 58 58 CYS CA C 58 59.447 60.025 -0.578 1
1 615 . 4 1 1 A 58 58 CYS CB C 58 29.594 27.932 1.662 1
1 616 . 4 1 1 A 58 58 CYS N N 58 118.902 118.125 0.777 1
1 617 . 4 1 1 A 59 59 LYS H H 59 9.242 8.775 0.467 1
1 618 . 4 1 1 A 59 59 LYS HA H 59 4.777 4.798 -0.021 1
1 627 . 4 1 1 A 59 59 LYS C C 59 175.947 175.065 0.882 1
1 628 . 4 1 1 A 59 59 LYS CA C 59 55.299 54.768 0.531 1
1 629 . 4 1 1 A 59 59 LYS CB C 59 34.561 33.844 0.717 1
1 633 . 4 1 1 A 59 59 LYS N N 59 122.306 125.747 -3.441 1
1 634 . 4 1 1 A 60 60 LEU H H 60 9.030 9.032 -0.002 1
1 635 . 4 1 1 A 60 60 LEU HA H 60 5.543 4.742 0.801 1
1 645 . 4 1 1 A 60 60 LEU C C 60 176.239 176.093 0.146 1
1 646 . 4 1 1 A 60 60 LEU CA C 60 53.958 54.759 -0.801 1
1 647 . 4 1 1 A 60 60 LEU CB C 60 44.454 42.466 1.988 1
1 651 . 4 1 1 A 60 60 LEU N N 60 129.520 129.343 0.177 1
1 652 . 4 1 1 A 61 61 SER H H 61 9.077 8.643 0.434 1
1 653 . 4 1 1 A 61 61 SER HA H 61 4.832 5.124 -0.292 1
1 656 . 4 1 1 A 61 61 SER C C 61 172.173 172.807 -0.634 1
1 657 . 4 1 1 A 61 61 SER CA C 61 57.558 57.960 -0.402 1
1 658 . 4 1 1 A 61 61 SER CB C 61 65.692 65.727 -0.035 1
1 659 . 4 1 1 A 61 61 SER N N 61 117.374 121.779 -4.405 1
1 660 . 4 1 1 A 62 62 VAL H H 62 8.784 8.894 -0.110 1
1 661 . 4 1 1 A 62 62 VAL HA H 62 4.927 4.671 0.256 1
1 669 . 4 1 1 A 62 62 VAL C C 62 174.367 174.543 -0.176 1
1 670 . 4 1 1 A 62 62 VAL CA C 62 59.782 60.662 -0.880 1
1 671 . 4 1 1 A 62 62 VAL CB C 62 33.518 32.017 1.501 1
1 674 . 4 1 1 A 62 62 VAL N N 62 119.929 126.845 -6.916 1
1 675 . 4 1 1 A 63 63 PRO HA H 63 4.495 4.629 -0.134 1
1 682 . 4 1 1 A 63 63 PRO CA C 63 62.526 62.470 0.056 1
1 683 . 4 1 1 A 63 63 PRO CB C 63 32.504 32.330 0.174 1
1 686 . 4 1 1 A 64 64 ASP H H 64 8.762 8.543 0.219 1
1 687 . 4 1 1 A 64 64 ASP HA H 64 4.780 4.712 0.068 1
1 690 . 4 1 1 A 64 64 ASP CA C 64 53.231 52.908 0.323 1
1 691 . 4 1 1 A 64 64 ASP CB C 64 41.105 39.960 1.145 1
1 692 . 4 1 1 A 64 64 ASP N N 64 123.527 121.193 2.334 1
1 693 . 4 1 1 A 65 65 PRO HA H 65 4.371 4.565 -0.194 1
1 700 . 4 1 1 A 65 65 PRO C C 65 178.309 177.548 0.761 1
1 701 . 4 1 1 A 65 65 PRO CA C 65 64.829 64.093 0.736 1
1 702 . 4 1 1 A 65 65 PRO CB C 65 32.136 31.944 0.192 1
1 705 . 4 1 1 A 66 66 GLU H H 66 8.890 8.559 0.331 1
1 706 . 4 1 1 A 66 66 GLU HA H 66 4.129 4.095 0.034 1
1 711 . 4 1 1 A 66 66 GLU C C 66 177.222 179.334 -2.112 1
1 712 . 4 1 1 A 66 66 GLU CA C 66 57.805 59.365 -1.560 1
1 713 . 4 1 1 A 66 66 GLU CB C 66 29.334 28.983 0.351 1
1 715 . 4 1 1 A 66 66 GLU N N 66 117.225 117.629 -0.404 1
1 716 . 4 1 1 A 67 67 GLU H H 67 7.971 7.924 0.047 1
1 717 . 4 1 1 A 67 67 GLU HA H 67 4.136 4.097 0.039 1
1 722 . 4 1 1 A 67 67 GLU C C 67 176.058 176.385 -0.327 1
1 723 . 4 1 1 A 67 67 GLU CA C 67 57.328 59.103 -1.775 1
1 724 . 4 1 1 A 67 67 GLU CB C 67 29.594 29.250 0.344 1
1 726 . 4 1 1 A 67 67 GLU N N 67 119.516 119.632 -0.116 1
1 727 . 4 1 1 A 68 68 ARG H H 68 8.020 7.838 0.182 1
1 728 . 4 1 1 A 68 68 ARG HA H 68 4.043 3.783 0.260 1
1 735 . 4 1 1 A 68 68 ARG C C 68 175.591 175.475 0.116 1
1 736 . 4 1 1 A 68 68 ARG CA C 68 56.075 56.864 -0.789 1
1 737 . 4 1 1 A 68 68 ARG CB C 68 28.927 27.469 1.458 1
1 740 . 4 1 1 A 68 68 ARG N N 68 118.917 116.809 2.108 1
1 741 . 4 1 1 A 69 69 LEU H H 69 8.188 7.900 0.288 1
1 742 . 4 1 1 A 69 69 LEU HA H 69 4.372 4.328 0.044 1
1 752 . 4 1 1 A 69 69 LEU C C 69 176.013 177.842 -1.829 1
1 753 . 4 1 1 A 69 69 LEU CA C 69 54.682 55.003 -0.321 1
1 754 . 4 1 1 A 69 69 LEU CB C 69 43.238 42.927 0.311 1
1 758 . 4 1 1 A 69 69 LEU N N 69 122.935 120.091 2.844 1
1 759 . 4 1 1 A 70 70 ASP H H 70 8.382 8.907 -0.525 1
1 760 . 4 1 1 A 70 70 ASP HA H 70 4.123 4.144 -0.021 1
1 763 . 4 1 1 A 70 70 ASP C C 70 175.200 175.742 -0.542 1
1 764 . 4 1 1 A 70 70 ASP CA C 70 54.558 57.402 -2.844 1
1 765 . 4 1 1 A 70 70 ASP CB C 70 40.634 40.293 0.341 1
1 766 . 4 1 1 A 70 70 ASP N N 70 119.400 123.233 -3.833 1
1 767 . 4 1 1 A 71 71 SER H H 71 7.391 7.276 0.115 1
1 768 . 4 1 1 A 71 71 SER HA H 71 4.233 4.438 -0.205 1
1 771 . 4 1 1 A 71 71 SER C C 71 174.294 174.395 -0.101 1
1 772 . 4 1 1 A 71 71 SER CA C 71 58.017 56.783 1.234 1
1 773 . 4 1 1 A 71 71 SER CB C 71 63.430 65.698 -2.268 1
1 774 . 4 1 1 A 71 71 SER N N 71 114.807 109.824 4.983 1
1 775 . 4 1 1 A 72 72 GLY H H 72 7.981 8.221 -0.240 1
1 776 . 4 1 1 A 72 72 GLY HA2 H 72 3.702 3.575 0.127 1
1 777 . 4 1 1 A 72 72 GLY HA3 H 72 3.610 3.717 -0.107 1
1 778 . 4 1 1 A 72 72 GLY C C 72 172.912 173.601 -0.689 1
1 779 . 4 1 1 A 72 72 GLY CA C 72 44.675 45.939 -1.264 1
1 780 . 4 1 1 A 72 72 GLY N N 72 108.675 109.263 -0.588 1
1 781 . 4 1 1 A 73 73 HIS H H 73 8.462 8.026 0.436 1
1 782 . 4 1 1 A 73 73 HIS HA H 73 4.859 5.199 -0.340 1
1 787 . 4 1 1 A 73 73 HIS C C 73 174.804 173.922 0.882 1
1 788 . 4 1 1 A 73 73 HIS CA C 73 54.700 54.242 0.458 1
1 789 . 4 1 1 A 73 73 HIS CB C 73 28.762 30.881 -2.119 1
1 792 . 4 1 1 A 73 73 HIS N N 73 122.843 117.626 5.217 1
1 793 . 4 1 1 A 74 74 VAL H H 74 7.682 8.835 -1.153 1
1 794 . 4 1 1 A 74 74 VAL HA H 74 5.402 4.700 0.702 1
1 802 . 4 1 1 A 74 74 VAL C C 74 176.121 173.682 2.439 1
1 803 . 4 1 1 A 74 74 VAL CA C 74 61.246 60.272 0.974 1
1 804 . 4 1 1 A 74 74 VAL CB C 74 35.383 35.633 -0.250 1
1 807 . 4 1 1 A 74 74 VAL N N 74 120.824 121.748 -0.924 1
1 808 . 4 1 1 A 75 75 TRP H H 75 9.581 8.245 1.336 1
1 809 . 4 1 1 A 75 75 TRP HA H 75 5.342 6.055 -0.713 1
1 818 . 4 1 1 A 75 75 TRP C C 75 171.123 173.762 -2.639 1
1 819 . 4 1 1 A 75 75 TRP CA C 75 57.046 54.913 2.133 1
1 820 . 4 1 1 A 75 75 TRP CB C 75 32.834 32.986 -0.152 1
1 826 . 4 1 1 A 75 75 TRP N N 75 124.656 124.700 -0.044 1
1 828 . 4 1 1 A 76 76 LYS H H 76 9.557 9.298 0.259 1
1 829 . 4 1 1 A 76 76 LYS HA H 76 5.192 4.822 0.370 1
1 838 . 4 1 1 A 76 76 LYS C C 76 174.801 174.873 -0.072 1
1 839 . 4 1 1 A 76 76 LYS CA C 76 54.876 55.328 -0.452 1
1 840 . 4 1 1 A 76 76 LYS CB C 76 36.740 34.270 2.470 1
1 844 . 4 1 1 A 76 76 LYS N N 76 121.724 121.627 0.097 1
1 845 . 4 1 1 A 77 77 LEU H H 77 8.957 8.924 0.033 1
1 846 . 4 1 1 A 77 77 LEU HA H 77 5.272 5.232 0.040 1
1 856 . 4 1 1 A 77 77 LEU C C 77 174.927 175.131 -0.204 1
1 857 . 4 1 1 A 77 77 LEU CA C 77 54.046 53.877 0.169 1
1 858 . 4 1 1 A 77 77 LEU CB C 77 46.281 43.968 2.313 1
1 862 . 4 1 1 A 77 77 LEU N N 77 124.578 127.455 -2.877 1
1 863 . 4 1 1 A 78 78 GLN H H 78 8.629 8.688 -0.059 1
1 864 . 4 1 1 A 78 78 GLN HA H 78 5.308 5.508 -0.200 1
1 871 . 4 1 1 A 78 78 GLN C C 78 174.564 174.740 -0.176 1
1 872 . 4 1 1 A 78 78 GLN CA C 78 54.452 54.425 0.027 1
1 873 . 4 1 1 A 78 78 GLN CB C 78 32.833 31.390 1.443 1
1 875 . 4 1 1 A 78 78 GLN N N 78 121.344 125.075 -3.731 1
1 877 . 4 1 1 A 79 79 TRP H H 79 8.601 8.263 0.338 1
1 878 . 4 1 1 A 79 79 TRP HA H 79 5.003 4.983 0.020 1
1 887 . 4 1 1 A 79 79 TRP C C 79 173.001 174.084 -1.083 1
1 888 . 4 1 1 A 79 79 TRP CA C 79 56.323 56.700 -0.377 1
1 889 . 4 1 1 A 79 79 TRP CB C 79 32.258 31.497 0.761 1
1 895 . 4 1 1 A 79 79 TRP N N 79 128.274 123.834 4.440 1
1 897 . 4 1 1 A 80 80 ALA H H 80 9.181 9.283 -0.102 1
1 898 . 4 1 1 A 80 80 ALA HA H 80 3.933 3.886 0.047 1
1 902 . 4 1 1 A 80 80 ALA C C 80 177.360 176.292 1.068 1
1 903 . 4 1 1 A 80 80 ALA CA C 80 54.222 53.188 1.034 1
1 904 . 4 1 1 A 80 80 ALA CB C 80 17.329 17.170 0.159 1
1 905 . 4 1 1 A 80 80 ALA N N 80 126.348 121.582 4.766 1
1 906 . 4 1 1 A 81 81 LYS H H 81 8.163 8.385 -0.222 1
1 907 . 4 1 1 A 81 81 LYS HA H 81 4.290 3.675 0.615 1
1 916 . 4 1 1 A 81 81 LYS C C 81 176.068 174.682 1.386 1
1 917 . 4 1 1 A 81 81 LYS CA C 81 56.305 57.401 -1.096 1
1 918 . 4 1 1 A 81 81 LYS CB C 81 31.312 29.471 1.841 1
1 922 . 4 1 1 A 81 81 LYS N N 81 120.289 107.339 12.950 1
1 923 . 4 1 1 A 82 82 GLN H H 82 8.423 7.626 0.797 1
1 924 . 4 1 1 A 82 82 GLN HA H 82 4.255 4.701 -0.446 1
1 931 . 4 1 1 A 82 82 GLN C C 82 174.996 174.112 0.884 1
1 932 . 4 1 1 A 82 82 GLN CA C 82 54.805 53.723 1.082 1
1 933 . 4 1 1 A 82 82 GLN CB C 82 30.942 32.097 -1.155 1
1 935 . 4 1 1 A 82 82 GLN N N 82 119.918 116.629 3.289 1
1 937 . 4 1 1 A 83 83 SER H H 83 7.683 8.050 -0.367 1
1 938 . 4 1 1 A 83 83 SER HA H 83 4.991 5.519 -0.528 1
1 941 . 4 1 1 A 83 83 SER C C 83 171.947 172.457 -0.510 1
1 942 . 4 1 1 A 83 83 SER CA C 83 57.629 57.528 0.101 1
1 943 . 4 1 1 A 83 83 SER CB C 83 64.664 65.657 -0.993 1
1 944 . 4 1 1 A 83 83 SER N N 83 115.649 112.725 2.924 1
1 945 . 4 1 1 A 84 84 TRP H H 84 8.665 8.987 -0.322 1
1 946 . 4 1 1 A 84 84 TRP HA H 84 4.714 4.916 -0.202 1
1 955 . 4 1 1 A 84 84 TRP C C 84 174.105 174.565 -0.460 1
1 956 . 4 1 1 A 84 84 TRP CA C 84 56.834 56.161 0.673 1
1 957 . 4 1 1 A 84 84 TRP CB C 84 33.368 33.347 0.021 1
1 963 . 4 1 1 A 84 84 TRP N N 84 122.334 124.182 -1.848 1
1 965 . 4 1 1 A 85 85 TYR H H 85 9.220 8.696 0.524 1
1 966 . 4 1 1 A 85 85 TYR HA H 85 5.209 5.084 0.125 1
1 973 . 4 1 1 A 85 85 TYR C C 85 175.136 174.860 0.276 1
1 974 . 4 1 1 A 85 85 TYR CA C 85 56.993 57.543 -0.550 1
1 975 . 4 1 1 A 85 85 TYR CB C 85 41.058 40.074 0.984 1
1 980 . 4 1 1 A 85 85 TYR N N 85 117.934 122.569 -4.635 1
1 981 . 4 1 1 A 86 86 LEU H H 86 8.662 8.790 -0.128 1
1 982 . 4 1 1 A 86 86 LEU HA H 86 5.172 4.552 0.620 1
1 992 . 4 1 1 A 86 86 LEU C C 86 174.454 175.565 -1.111 1
1 993 . 4 1 1 A 86 86 LEU CA C 86 53.587 53.045 0.542 1
1 994 . 4 1 1 A 86 86 LEU CB C 86 43.773 41.716 2.057 1
1 998 . 4 1 1 A 86 86 LEU N N 86 121.945 125.193 -3.248 1
1 999 . 4 1 1 A 87 87 SER H H 87 8.642 8.640 0.002 1
1 1000 . 4 1 1 A 87 87 SER HA H 87 4.995 4.772 0.223 1
1 1003 . 4 1 1 A 87 87 SER C C 87 173.683 173.759 -0.076 1
1 1004 . 4 1 1 A 87 87 SER CA C 87 55.052 56.859 -1.807 1
1 1005 . 4 1 1 A 87 87 SER CB C 87 65.487 64.716 0.771 1
1 1006 . 4 1 1 A 87 87 SER N N 87 111.719 120.158 -8.439 1
1 1007 . 4 1 1 A 88 88 ALA H H 88 8.472 8.737 -0.265 1
1 1008 . 4 1 1 A 88 88 ALA HA H 88 5.184 4.851 0.333 1
1 1012 . 4 1 1 A 88 88 ALA C C 88 178.012 178.218 -0.206 1
1 1013 . 4 1 1 A 88 88 ALA CA C 88 49.423 50.152 -0.729 1
1 1014 . 4 1 1 A 88 88 ALA CB C 88 22.919 22.351 0.568 1
1 1015 . 4 1 1 A 88 88 ALA N N 88 126.939 123.363 3.576 1
1 1016 . 4 1 1 A 89 89 SER H H 89 8.182 8.876 -0.694 1
1 1017 . 4 1 1 A 89 89 SER HA H 89 4.274 4.278 -0.004 1
1 1020 . 4 1 1 A 89 89 SER C C 89 174.039 174.098 -0.059 1
1 1021 . 4 1 1 A 89 89 SER CA C 89 60.135 61.202 -1.067 1
1 1022 . 4 1 1 A 89 89 SER CB C 89 63.571 63.188 0.383 1
1 1023 . 4 1 1 A 89 89 SER N N 89 111.359 116.755 -5.396 1
1 1024 . 4 1 1 A 90 90 SER H H 90 7.392 7.849 -0.457 1
1 1025 . 4 1 1 A 90 90 SER HA H 90 4.383 4.414 -0.031 1
1 1028 . 4 1 1 A 90 90 SER C C 90 173.114 173.804 -0.690 1
1 1029 . 4 1 1 A 90 90 SER CA C 90 56.023 56.965 -0.942 1
1 1030 . 4 1 1 A 90 90 SER CB C 90 67.108 64.852 2.256 1
1 1031 . 4 1 1 A 90 90 SER N N 90 113.112 109.933 3.179 1
1 1032 . 4 1 1 A 91 91 ALA H H 91 8.532 8.145 0.387 1
1 1033 . 4 1 1 A 91 91 ALA HA H 91 3.763 3.836 -0.073 1
1 1037 . 4 1 1 A 91 91 ALA C C 91 179.816 179.479 0.337 1
1 1038 . 4 1 1 A 91 91 ALA CA C 91 54.699 55.083 -0.384 1
1 1039 . 4 1 1 A 91 91 ALA CB C 91 18.111 18.001 0.110 1
1 1040 . 4 1 1 A 91 91 ALA N N 91 123.767 122.651 1.116 1
1 1041 . 4 1 1 A 92 92 GLU H H 92 8.766 8.042 0.724 1
1 1042 . 4 1 1 A 92 92 GLU HA H 92 3.942 3.996 -0.054 1
1 1047 . 4 1 1 A 92 92 GLU C C 92 179.568 178.353 1.215 1
1 1048 . 4 1 1 A 92 92 GLU CA C 92 60.206 59.433 0.773 1
1 1049 . 4 1 1 A 92 92 GLU CB C 92 28.721 29.296 -0.575 1
1 1051 . 4 1 1 A 92 92 GLU N N 92 118.712 118.797 -0.085 1
1 1052 . 4 1 1 A 93 93 LEU H H 93 7.852 7.755 0.097 1
1 1053 . 4 1 1 A 93 93 LEU HA H 93 4.274 4.188 0.086 1
1 1063 . 4 1 1 A 93 93 LEU C C 93 178.805 178.574 0.231 1
1 1064 . 4 1 1 A 93 93 LEU CA C 93 57.382 56.840 0.542 1
1 1065 . 4 1 1 A 93 93 LEU CB C 93 43.115 41.802 1.313 1
1 1069 . 4 1 1 A 93 93 LEU N N 93 121.212 120.861 0.351 1
1 1070 . 4 1 1 A 94 94 GLN H H 94 8.080 8.358 -0.278 1
1 1071 . 4 1 1 A 94 94 GLN HA H 94 3.843 4.244 -0.401 1
1 1078 . 4 1 1 A 94 94 GLN C C 94 176.960 178.152 -1.192 1
1 1079 . 4 1 1 A 94 94 GLN CA C 94 59.694 59.164 0.530 1
1 1080 . 4 1 1 A 94 94 GLN CB C 94 28.063 28.735 -0.672 1
1 1082 . 4 1 1 A 94 94 GLN N N 94 120.439 119.352 1.087 1
1 1084 . 4 1 1 A 95 95 GLN H H 95 8.293 8.193 0.100 1
1 1085 . 4 1 1 A 95 95 GLN HA H 95 3.779 4.039 -0.260 1
1 1092 . 4 1 1 A 95 95 GLN C C 95 177.938 177.740 0.198 1
1 1093 . 4 1 1 A 95 95 GLN CA C 95 59.005 58.771 0.234 1
1 1094 . 4 1 1 A 95 95 GLN CB C 95 27.610 28.368 -0.758 1
1 1096 . 4 1 1 A 95 95 GLN N N 95 117.408 117.225 0.183 1
1 1098 . 4 1 1 A 96 96 GLN H H 96 7.731 8.112 -0.381 1
1 1099 . 4 1 1 A 96 96 GLN HA H 96 3.966 3.997 -0.031 1
1 1106 . 4 1 1 A 96 96 GLN C C 96 179.685 177.711 1.974 1
1 1107 . 4 1 1 A 96 96 GLN CA C 96 58.987 58.050 0.937 1
1 1108 . 4 1 1 A 96 96 GLN CB C 96 28.433 28.283 0.150 1
1 1110 . 4 1 1 A 96 96 GLN N N 96 119.621 117.307 2.314 1
1 1112 . 4 1 1 A 97 97 TRP H H 97 8.410 7.395 1.015 1
1 1113 . 4 1 1 A 97 97 TRP HA H 97 3.792 4.334 -0.542 1
1 1122 . 4 1 1 A 97 97 TRP C C 97 178.515 178.884 -0.369 1
1 1123 . 4 1 1 A 97 97 TRP CA C 97 61.670 60.016 1.654 1
1 1124 . 4 1 1 A 97 97 TRP CB C 97 29.972 29.598 0.374 1
1 1130 . 4 1 1 A 97 97 TRP N N 97 121.370 120.350 1.020 1
1 1132 . 4 1 1 A 98 98 LEU H H 98 8.505 8.054 0.451 1
1 1133 . 4 1 1 A 98 98 LEU HA H 98 3.485 3.601 -0.116 1
1 1143 . 4 1 1 A 98 98 LEU C C 98 180.194 178.878 1.316 1
1 1144 . 4 1 1 A 98 98 LEU CA C 98 58.706 58.017 0.689 1
1 1145 . 4 1 1 A 98 98 LEU CB C 98 41.141 41.512 -0.371 1
1 1149 . 4 1 1 A 98 98 LEU N N 98 119.038 119.961 -0.923 1
1 1150 . 4 1 1 A 99 99 GLU H H 99 8.241 8.416 -0.175 1
1 1151 . 4 1 1 A 99 99 GLU HA H 99 3.927 3.978 -0.051 1
1 1156 . 4 1 1 A 99 99 GLU C C 99 179.082 178.900 0.182 1
1 1157 . 4 1 1 A 99 99 GLU CA C 99 59.587 59.233 0.354 1
1 1158 . 4 1 1 A 99 99 GLU CB C 99 29.296 29.451 -0.155 1
1 1160 . 4 1 1 A 99 99 GLU N N 99 119.886 117.227 2.659 1
1 1161 . 4 1 1 A 100 100 THR H H 100 7.780 7.708 0.072 1
1 1162 . 4 1 1 A 100 100 THR HA H 100 3.862 3.844 0.018 1
1 1167 . 4 1 1 A 100 100 THR C C 100 176.899 176.573 0.326 1
1 1168 . 4 1 1 A 100 100 THR CA C 100 67.088 66.602 0.486 1
1 1169 . 4 1 1 A 100 100 THR CB C 100 68.178 68.209 -0.031 1
1 1171 . 4 1 1 A 100 100 THR N N 100 116.913 115.045 1.868 1
1 1172 . 4 1 1 A 101 101 LEU H H 101 9.159 8.236 0.923 1
1 1173 . 4 1 1 A 101 101 LEU HA H 101 3.993 3.892 0.101 1
1 1183 . 4 1 1 A 101 101 LEU C C 101 178.416 179.324 -0.908 1
1 1184 . 4 1 1 A 101 101 LEU CA C 101 58.017 57.866 0.151 1
1 1185 . 4 1 1 A 101 101 LEU CB C 101 42.004 41.359 0.645 1
1 1189 . 4 1 1 A 101 101 LEU N N 101 121.065 120.191 0.874 1
1 1190 . 4 1 1 A 102 102 SER H H 102 7.978 8.157 -0.179 1
1 1191 . 4 1 1 A 102 102 SER HA H 102 4.094 4.078 0.016 1
1 1194 . 4 1 1 A 102 102 SER C C 102 176.370 176.486 -0.116 1
1 1195 . 4 1 1 A 102 102 SER CA C 102 61.794 62.570 -0.776 1
1 1196 . 4 1 1 A 102 102 SER CB C 102 62.855 63.178 -0.323 1
1 1197 . 4 1 1 A 102 102 SER N N 102 112.923 114.100 -1.177 1
1 1198 . 4 1 1 A 103 103 THR H H 103 7.683 8.459 -0.776 1
1 1199 . 4 1 1 A 103 103 THR HA H 103 4.020 3.902 0.118 1
1 1204 . 4 1 1 A 103 103 THR C C 103 176.061 175.778 0.283 1
1 1205 . 4 1 1 A 103 103 THR CA C 103 65.412 66.140 -0.728 1
1 1206 . 4 1 1 A 103 103 THR CB C 103 68.918 68.175 0.743 1
1 1208 . 4 1 1 A 103 103 THR N N 103 116.420 117.369 -0.949 1
1 1209 . 4 1 1 A 104 104 ALA H H 104 7.760 7.770 -0.010 1
1 1210 . 4 1 1 A 104 104 ALA HA H 104 4.272 4.167 0.105 1
1 1214 . 4 1 1 A 104 104 ALA C C 104 178.160 177.821 0.339 1
1 1215 . 4 1 1 A 104 104 ALA CA C 104 54.011 52.934 1.077 1
1 1216 . 4 1 1 A 104 104 ALA CB C 104 20.155 19.019 1.136 1
1 1217 . 4 1 1 A 104 104 ALA N N 104 123.981 122.531 1.450 1
1 1218 . 4 1 1 A 105 105 ALA H H 105 7.824 7.809 0.015 1
1 1219 . 4 1 1 A 105 105 ALA HA H 105 4.092 4.516 -0.424 1
1 1223 . 4 1 1 A 105 105 ALA C C 105 177.657 177.064 0.593 1
1 1224 . 4 1 1 A 105 105 ALA CA C 105 53.058 51.270 1.788 1
1 1225 . 4 1 1 A 105 105 ALA CB C 105 19.067 19.309 -0.242 1
1 1226 . 4 1 1 A 105 105 ALA N N 105 118.227 120.315 -2.088 1
1 1227 . 4 1 1 A 106 106 HIS H H 106 7.675 7.871 -0.196 1
1 1228 . 4 1 1 A 106 106 HIS HA H 106 4.703 4.479 0.224 1
1 1233 . 4 1 1 A 106 106 HIS C C 106 175.296 175.970 -0.674 1
1 1234 . 4 1 1 A 106 106 HIS CA C 106 56.287 55.975 0.312 1
1 1235 . 4 1 1 A 106 106 HIS CB C 106 30.407 29.992 0.415 1
1 1238 . 4 1 1 A 106 106 HIS N N 106 115.860 115.767 0.093 1
1 1239 . 4 1 1 A 107 107 SER H H 107 8.015 9.049 -1.034 1
1 1240 . 4 1 1 A 107 107 SER HA H 107 4.560 4.011 0.549 1
1 1243 . 4 1 1 A 107 107 SER C C 107 174.345 174.531 -0.186 1
1 1244 . 4 1 1 A 107 107 SER CA C 107 58.546 61.179 -2.633 1
1 1245 . 4 1 1 A 107 107 SER CB C 107 64.130 63.284 0.846 1
1 1246 . 4 1 1 A 107 107 SER N N 107 116.310 120.399 -4.089 1
1 1247 . 4 1 1 A 108 108 GLY H H 108 8.282 7.564 0.718 1
1 1248 . 4 1 1 A 108 108 GLY HA2 H 108 4.213 3.836 0.377 1
1 1249 . 4 1 1 A 108 108 GLY HA3 H 108 4.042 3.959 0.083 1
1 1250 . 4 1 1 A 108 108 GLY C C 108 171.750 173.199 -1.449 1
1 1251 . 4 1 1 A 108 108 GLY CA C 108 44.640 44.837 -0.197 1
1 1252 . 4 1 1 A 108 108 GLY N N 108 110.511 106.814 3.697 1
1 1253 . 4 1 1 A 109 109 PRO HA H 109 4.497 4.739 -0.242 1
1 1260 . 4 1 1 A 109 109 PRO C C 109 177.419 176.280 1.139 1
1 1261 . 4 1 1 A 109 109 PRO CA C 109 63.241 62.412 0.829 1
1 1262 . 4 1 1 A 109 109 PRO CB C 109 32.264 31.756 0.508 1
1 1265 . 4 1 1 A 110 110 SER H H 110 8.558 8.804 -0.246 1
1 1266 . 4 1 1 A 110 110 SER C C 110 174.715 174.458 0.257 1
1 1267 . 4 1 1 A 110 110 SER CA C 110 58.335 59.350 -1.015 1
1 1268 . 4 1 1 A 110 110 SER CB C 110 63.759 65.260 -1.501 1
1 1269 . 4 1 1 A 110 110 SER N N 110 116.470 115.631 0.839 1
1 1270 . 4 1 1 A 111 111 SER H H 111 8.357 7.553 0.804 1
1 1271 . 4 1 1 A 111 111 SER C C 111 173.931 174.209 -0.278 1
1 1272 . 4 1 1 A 111 111 SER CA C 111 58.335 58.047 0.288 1
1 1 . 5 1 1 A 8 8 SER HA H 8 5.012 4.340 0.672 1
1 4 . 5 1 1 A 8 8 SER CA C 8 58.166 59.161 -0.995 1
1 5 . 5 1 1 A 8 8 SER CB C 8 64.582 63.631 0.951 1
1 6 . 5 1 1 A 9 9 LEU H H 9 9.253 8.613 0.640 1
1 7 . 5 1 1 A 9 9 LEU HA H 9 4.091 3.932 0.159 1
1 17 . 5 1 1 A 9 9 LEU C C 9 176.799 176.802 -0.003 1
1 18 . 5 1 1 A 9 9 LEU CA C 9 57.523 57.957 -0.434 1
1 19 . 5 1 1 A 9 9 LEU CB C 9 42.703 41.989 0.714 1
1 23 . 5 1 1 A 9 9 LEU N N 9 127.432 126.176 1.256 1
1 24 . 5 1 1 A 10 10 LEU H H 10 6.827 7.803 -0.976 1
1 25 . 5 1 1 A 10 10 LEU HA H 10 4.201 4.607 -0.406 1
1 35 . 5 1 1 A 10 10 LEU C C 10 173.779 174.631 -0.852 1
1 36 . 5 1 1 A 10 10 LEU CA C 10 54.399 54.125 0.274 1
1 37 . 5 1 1 A 10 10 LEU CB C 10 45.006 45.572 -0.566 1
1 41 . 5 1 1 A 10 10 LEU N N 10 116.105 117.854 -1.749 1
1 42 . 5 1 1 A 11 11 CYS H H 11 7.989 8.875 -0.886 1
1 43 . 5 1 1 A 11 11 CYS HA H 11 5.743 5.394 0.349 1
1 46 . 5 1 1 A 11 11 CYS C C 11 172.654 173.157 -0.503 1
1 47 . 5 1 1 A 11 11 CYS CA C 11 55.546 57.419 -1.873 1
1 48 . 5 1 1 A 11 11 CYS CB C 11 31.333 31.379 -0.046 1
1 49 . 5 1 1 A 11 11 CYS N N 11 117.939 123.311 -5.372 1
1 50 . 5 1 1 A 12 12 GLY H H 12 8.479 7.588 0.891 1
1 51 . 5 1 1 A 12 12 GLY HA2 H 12 4.419 3.778 0.641 1
1 52 . 5 1 1 A 12 12 GLY HA3 H 12 2.832 4.102 -1.270 1
1 53 . 5 1 1 A 12 12 GLY C C 12 168.720 172.048 -3.328 1
1 54 . 5 1 1 A 12 12 GLY CA C 12 44.710 44.450 0.260 1
1 55 . 5 1 1 A 12 12 GLY N N 12 109.046 106.813 2.233 1
1 56 . 5 1 1 A 13 13 PRO HA H 13 5.163 4.730 0.433 1
1 63 . 5 1 1 A 13 13 PRO C C 13 177.501 175.419 2.082 1
1 64 . 5 1 1 A 13 13 PRO CA C 13 62.182 62.764 -0.582 1
1 65 . 5 1 1 A 13 13 PRO CB C 13 32.587 31.825 0.762 1
1 68 . 5 1 1 A 14 14 LEU H H 14 8.630 8.473 0.157 1
1 69 . 5 1 1 A 14 14 LEU HA H 14 4.764 5.021 -0.257 1
1 79 . 5 1 1 A 14 14 LEU C C 14 175.698 174.494 1.204 1
1 80 . 5 1 1 A 14 14 LEU CA C 14 53.975 53.099 0.876 1
1 81 . 5 1 1 A 14 14 LEU CB C 14 48.936 45.923 3.013 1
1 85 . 5 1 1 A 14 14 LEU N N 14 122.246 124.234 -1.988 1
1 86 . 5 1 1 A 15 15 ARG H H 15 8.498 7.986 0.512 1
1 87 . 5 1 1 A 15 15 ARG HA H 15 5.421 5.187 0.234 1
1 95 . 5 1 1 A 15 15 ARG C C 15 174.664 174.718 -0.054 1
1 96 . 5 1 1 A 15 15 ARG CA C 15 54.858 54.473 0.385 1
1 97 . 5 1 1 A 15 15 ARG CB C 15 34.085 33.645 0.440 1
1 100 . 5 1 1 A 15 15 ARG N N 15 118.593 122.711 -4.118 1
1 102 . 5 1 1 A 16 16 LEU H H 16 9.244 8.891 0.353 1
1 103 . 5 1 1 A 16 16 LEU HA H 16 5.662 5.808 -0.146 1
1 113 . 5 1 1 A 16 16 LEU C C 16 176.872 174.677 2.195 1
1 114 . 5 1 1 A 16 16 LEU CA C 16 53.746 53.677 0.069 1
1 115 . 5 1 1 A 16 16 LEU CB C 16 47.803 46.949 0.854 1
1 119 . 5 1 1 A 16 16 LEU N N 16 123.893 125.306 -1.413 1
1 120 . 5 1 1 A 17 17 SER H H 17 8.982 8.928 0.054 1
1 121 . 5 1 1 A 17 17 SER HA H 17 4.484 5.220 -0.736 1
1 124 . 5 1 1 A 17 17 SER C C 17 173.790 172.913 0.877 1
1 125 . 5 1 1 A 17 17 SER CA C 17 57.081 56.599 0.482 1
1 126 . 5 1 1 A 17 17 SER CB C 17 64.487 64.476 0.011 1
1 127 . 5 1 1 A 17 17 SER N N 17 117.455 119.366 -1.911 1
1 128 . 5 1 1 A 18 18 GLU H H 18 9.102 8.703 0.399 1
1 129 . 5 1 1 A 18 18 GLU HA H 18 3.832 4.642 -0.810 1
1 134 . 5 1 1 A 18 18 GLU C C 18 176.185 176.954 -0.769 1
1 135 . 5 1 1 A 18 18 GLU CA C 18 58.793 55.408 3.385 1
1 136 . 5 1 1 A 18 18 GLU CB C 18 30.037 29.624 0.413 1
1 138 . 5 1 1 A 18 18 GLU N N 18 129.354 125.167 4.187 1
1 139 . 5 1 1 A 19 19 SER H H 19 7.792 9.286 -1.494 1
1 140 . 5 1 1 A 19 19 SER HA H 19 4.650 4.198 0.452 1
1 143 . 5 1 1 A 19 19 SER C C 19 175.321 173.731 1.590 1
1 144 . 5 1 1 A 19 19 SER CA C 19 57.699 59.256 -1.557 1
1 145 . 5 1 1 A 19 19 SER CB C 19 65.816 61.963 3.853 1
1 146 . 5 1 1 A 19 19 SER N N 19 108.812 119.938 -11.126 1
1 147 . 5 1 1 A 20 20 GLY H H 20 8.376 8.297 0.079 1
1 148 . 5 1 1 A 20 20 GLY HA2 H 20 3.931 3.291 0.640 1
1 149 . 5 1 1 A 20 20 GLY HA3 H 20 2.690 3.635 -0.945 1
1 150 . 5 1 1 A 20 20 GLY C C 20 172.644 174.895 -2.251 1
1 151 . 5 1 1 A 20 20 GLY CA C 20 44.746 46.703 -1.957 1
1 152 . 5 1 1 A 20 20 GLY N N 20 111.458 105.670 5.788 1
1 153 . 5 1 1 A 21 21 GLU H H 21 7.522 7.788 -0.266 1
1 154 . 5 1 1 A 21 21 GLU HA H 21 4.274 4.450 -0.176 1
1 159 . 5 1 1 A 21 21 GLU C C 21 176.266 175.709 0.557 1
1 160 . 5 1 1 A 21 21 GLU CA C 21 58.069 57.030 1.039 1
1 161 . 5 1 1 A 21 21 GLU CB C 21 31.024 31.549 -0.525 1
1 163 . 5 1 1 A 21 21 GLU N N 21 119.071 118.587 0.484 1
1 164 . 5 1 1 A 22 22 THR H H 22 7.436 7.184 0.252 1
1 165 . 5 1 1 A 22 22 THR HA H 22 4.618 4.711 -0.093 1
1 170 . 5 1 1 A 22 22 THR C C 22 173.662 171.707 1.955 1
1 171 . 5 1 1 A 22 22 THR CA C 22 60.682 60.169 0.513 1
1 172 . 5 1 1 A 22 22 THR CB C 22 70.504 71.528 -1.024 1
1 174 . 5 1 1 A 22 22 THR N N 22 111.176 112.449 -1.273 1
1 175 . 5 1 1 A 23 23 TRP H H 23 9.121 8.990 0.131 1
1 176 . 5 1 1 A 23 23 TRP HA H 23 4.983 5.766 -0.783 1
1 185 . 5 1 1 A 23 23 TRP C C 23 175.888 176.328 -0.440 1
1 186 . 5 1 1 A 23 23 TRP CA C 23 56.570 56.191 0.379 1
1 187 . 5 1 1 A 23 23 TRP CB C 23 32.176 30.599 1.577 1
1 193 . 5 1 1 A 23 23 TRP N N 23 127.096 129.171 -2.075 1
1 195 . 5 1 1 A 24 24 SER H H 24 9.273 9.333 -0.060 1
1 196 . 5 1 1 A 24 24 SER HA H 24 4.948 5.100 -0.152 1
1 199 . 5 1 1 A 24 24 SER C C 24 173.268 173.570 -0.302 1
1 200 . 5 1 1 A 24 24 SER CA C 24 57.346 57.391 -0.045 1
1 201 . 5 1 1 A 24 24 SER CB C 24 65.445 66.243 -0.798 1
1 202 . 5 1 1 A 24 24 SER N N 24 118.031 117.993 0.038 1
1 203 . 5 1 1 A 25 25 GLU H H 25 8.990 8.583 0.407 1
1 204 . 5 1 1 A 25 25 GLU HA H 25 4.737 4.815 -0.078 1
1 209 . 5 1 1 A 25 25 GLU C C 25 176.246 176.461 -0.215 1
1 210 . 5 1 1 A 25 25 GLU CA C 25 57.170 56.561 0.609 1
1 211 . 5 1 1 A 25 25 GLU CB C 25 30.202 30.338 -0.136 1
1 213 . 5 1 1 A 25 25 GLU N N 25 125.088 123.763 1.325 1
1 214 . 5 1 1 A 26 26 VAL H H 26 9.012 8.789 0.223 1
1 215 . 5 1 1 A 26 26 VAL HA H 26 5.002 5.035 -0.033 1
1 223 . 5 1 1 A 26 26 VAL C C 26 174.304 173.643 0.661 1
1 224 . 5 1 1 A 26 26 VAL CA C 26 58.917 59.194 -0.277 1
1 225 . 5 1 1 A 26 26 VAL CB C 26 35.753 36.074 -0.321 1
1 228 . 5 1 1 A 26 26 VAL N N 26 118.076 117.934 0.142 1
1 229 . 5 1 1 A 27 27 TRP H H 27 8.880 8.694 0.186 1
1 230 . 5 1 1 A 27 27 TRP HA H 27 4.814 5.425 -0.611 1
1 239 . 5 1 1 A 27 27 TRP C C 27 174.255 174.507 -0.252 1
1 240 . 5 1 1 A 27 27 TRP CA C 27 57.117 55.082 2.035 1
1 241 . 5 1 1 A 27 27 TRP CB C 27 30.325 32.727 -2.402 1
1 247 . 5 1 1 A 27 27 TRP N N 27 122.873 125.750 -2.877 1
1 249 . 5 1 1 A 28 28 ALA H H 28 8.482 8.290 0.192 1
1 250 . 5 1 1 A 28 28 ALA HA H 28 5.329 5.205 0.124 1
1 254 . 5 1 1 A 28 28 ALA C C 28 175.519 176.069 -0.550 1
1 255 . 5 1 1 A 28 28 ALA CA C 28 49.670 50.155 -0.485 1
1 256 . 5 1 1 A 28 28 ALA CB C 28 23.827 20.822 3.005 1
1 257 . 5 1 1 A 28 28 ALA N N 28 133.586 129.784 3.802 1
1 258 . 5 1 1 A 29 29 ALA H H 29 8.948 8.966 -0.018 1
1 259 . 5 1 1 A 29 29 ALA HA H 29 5.160 5.406 -0.246 1
1 263 . 5 1 1 A 29 29 ALA C C 29 175.956 176.077 -0.121 1
1 264 . 5 1 1 A 29 29 ALA CA C 29 52.210 51.457 0.753 1
1 265 . 5 1 1 A 29 29 ALA CB C 29 23.697 23.392 0.305 1
1 266 . 5 1 1 A 29 29 ALA N N 29 119.901 124.617 -4.716 1
1 267 . 5 1 1 A 30 30 ILE H H 30 8.245 8.588 -0.343 1
1 268 . 5 1 1 A 30 30 ILE HA H 30 5.313 4.630 0.683 1
1 278 . 5 1 1 A 30 30 ILE C C 30 174.004 174.347 -0.343 1
1 279 . 5 1 1 A 30 30 ILE CA C 30 57.699 57.236 0.463 1
1 280 . 5 1 1 A 30 30 ILE CB C 30 40.565 40.336 0.229 1
1 284 . 5 1 1 A 30 30 ILE N N 30 122.332 120.731 1.601 1
1 285 . 5 1 1 A 31 31 PRO HA H 31 4.655 4.689 -0.034 1
1 292 . 5 1 1 A 31 31 PRO C C 31 177.566 177.839 -0.273 1
1 293 . 5 1 1 A 31 31 PRO CA C 31 62.464 62.336 0.128 1
1 294 . 5 1 1 A 31 31 PRO CB C 31 31.929 31.435 0.494 1
1 297 . 5 1 1 A 32 32 MET H H 32 8.572 8.617 -0.045 1
1 298 . 5 1 1 A 32 32 MET HA H 32 3.997 4.085 -0.088 1
1 306 . 5 1 1 A 32 32 MET C C 32 177.770 178.153 -0.383 1
1 307 . 5 1 1 A 32 32 MET CA C 32 58.158 58.661 -0.503 1
1 308 . 5 1 1 A 32 32 MET CB C 32 31.929 32.202 -0.273 1
1 311 . 5 1 1 A 32 32 MET N N 32 121.580 124.129 -2.549 1
1 312 . 5 1 1 A 33 33 SER H H 33 8.163 8.395 -0.232 1
1 313 . 5 1 1 A 33 33 SER HA H 33 4.213 4.277 -0.064 1
1 316 . 5 1 1 A 33 33 SER C C 33 174.424 174.415 0.009 1
1 317 . 5 1 1 A 33 33 SER CA C 33 58.864 61.305 -2.441 1
1 318 . 5 1 1 A 33 33 SER CB C 33 63.225 62.787 0.438 1
1 319 . 5 1 1 A 33 33 SER N N 33 109.218 114.420 -5.202 1
1 320 . 5 1 1 A 34 34 ASP H H 34 7.179 8.318 -1.139 1
1 321 . 5 1 1 A 34 34 ASP HA H 34 4.912 5.098 -0.186 1
1 324 . 5 1 1 A 34 34 ASP C C 34 171.847 174.294 -2.447 1
1 325 . 5 1 1 A 34 34 ASP CA C 34 52.581 51.277 1.304 1
1 326 . 5 1 1 A 34 34 ASP CB C 34 41.223 41.556 -0.333 1
1 327 . 5 1 1 A 34 34 ASP N N 34 120.601 120.170 0.431 1
1 328 . 5 1 1 A 35 35 PRO HA H 35 4.510 4.533 -0.023 1
1 335 . 5 1 1 A 35 35 PRO C C 35 175.635 175.913 -0.278 1
1 336 . 5 1 1 A 35 35 PRO CA C 35 64.511 63.942 0.569 1
1 337 . 5 1 1 A 35 35 PRO CB C 35 31.729 32.208 -0.479 1
1 340 . 5 1 1 A 36 36 GLN H H 36 7.982 8.193 -0.211 1
1 341 . 5 1 1 A 36 36 GLN HA H 36 4.472 4.547 -0.075 1
1 348 . 5 1 1 A 36 36 GLN C C 36 174.646 174.526 0.120 1
1 349 . 5 1 1 A 36 36 GLN CA C 36 55.193 55.680 -0.487 1
1 350 . 5 1 1 A 36 36 GLN CB C 36 29.420 29.734 -0.314 1
1 352 . 5 1 1 A 36 36 GLN N N 36 114.393 118.165 -3.772 1
1 354 . 5 1 1 A 37 37 VAL H H 37 7.878 7.635 0.243 1
1 355 . 5 1 1 A 37 37 VAL HA H 37 4.546 4.653 -0.107 1
1 363 . 5 1 1 A 37 37 VAL C C 37 172.485 172.839 -0.354 1
1 364 . 5 1 1 A 37 37 VAL CA C 37 60.987 60.401 0.586 1
1 365 . 5 1 1 A 37 37 VAL CB C 37 35.218 34.727 0.491 1
1 368 . 5 1 1 A 37 37 VAL N N 37 120.432 119.657 0.775 1
1 369 . 5 1 1 A 38 38 LEU H H 38 7.992 8.958 -0.966 1
1 370 . 5 1 1 A 38 38 LEU HA H 38 4.770 5.269 -0.499 1
1 380 . 5 1 1 A 38 38 LEU C C 38 175.193 175.024 0.169 1
1 381 . 5 1 1 A 38 38 LEU CA C 38 53.146 53.054 0.092 1
1 382 . 5 1 1 A 38 38 LEU CB C 38 45.359 44.847 0.512 1
1 386 . 5 1 1 A 38 38 LEU N N 38 123.585 129.429 -5.844 1
1 387 . 5 1 1 A 39 39 HIS H H 39 9.442 9.003 0.439 1
1 388 . 5 1 1 A 39 39 HIS HA H 39 5.212 4.890 0.322 1
1 393 . 5 1 1 A 39 39 HIS C C 39 175.351 175.726 -0.375 1
1 394 . 5 1 1 A 39 39 HIS CA C 39 55.211 55.933 -0.722 1
1 395 . 5 1 1 A 39 39 HIS CB C 39 32.669 30.851 1.818 1
1 398 . 5 1 1 A 39 39 HIS N N 39 126.949 126.550 0.399 1
1 399 . 5 1 1 A 40 40 LEU H H 40 8.424 8.356 0.068 1
1 400 . 5 1 1 A 40 40 LEU HA H 40 5.082 5.194 -0.112 1
1 410 . 5 1 1 A 40 40 LEU C C 40 176.050 175.897 0.153 1
1 411 . 5 1 1 A 40 40 LEU CA C 40 53.552 53.374 0.178 1
1 412 . 5 1 1 A 40 40 LEU CB C 40 44.019 45.296 -1.277 1
1 416 . 5 1 1 A 40 40 LEU N N 40 122.395 122.620 -0.225 1
1 417 . 5 1 1 A 41 41 GLN H H 41 8.972 8.566 0.406 1
1 418 . 5 1 1 A 41 41 GLN HA H 41 4.723 5.368 -0.645 1
1 425 . 5 1 1 A 41 41 GLN C C 41 175.453 175.559 -0.106 1
1 426 . 5 1 1 A 41 41 GLN CA C 41 54.840 54.137 0.703 1
1 427 . 5 1 1 A 41 41 GLN CB C 41 31.946 31.955 -0.009 1
1 429 . 5 1 1 A 41 41 GLN N N 41 121.779 120.709 1.070 1
1 431 . 5 1 1 A 42 42 GLY H H 42 8.739 8.404 0.335 1
1 432 . 5 1 1 A 42 42 GLY HA2 H 42 4.252 4.087 0.165 1
1 433 . 5 1 1 A 42 42 GLY HA3 H 42 4.200 4.111 0.089 1
1 434 . 5 1 1 A 42 42 GLY C C 42 173.938 174.483 -0.545 1
1 435 . 5 1 1 A 42 42 GLY CA C 42 44.746 46.097 -1.351 1
1 436 . 5 1 1 A 42 42 GLY N N 42 112.892 110.048 2.844 1
1 437 . 5 1 1 A 43 43 GLY H H 43 8.709 7.967 0.742 1
1 438 . 5 1 1 A 43 43 GLY HA2 H 43 4.110 4.054 0.056 1
1 439 . 5 1 1 A 43 43 GLY HA3 H 43 3.962 4.057 -0.095 1
1 440 . 5 1 1 A 43 43 GLY C C 43 174.713 172.445 2.268 1
1 441 . 5 1 1 A 43 43 GLY CA C 43 45.346 44.712 0.634 1
1 442 . 5 1 1 A 43 43 GLY N N 43 108.768 106.071 2.697 1
1 443 . 5 1 1 A 44 44 SER H H 44 8.369 8.094 0.275 1
1 444 . 5 1 1 A 44 44 SER C C 44 175.312 173.909 1.403 1
1 445 . 5 1 1 A 44 44 SER CA C 44 58.723 56.903 1.820 1
1 446 . 5 1 1 A 44 44 SER CB C 44 63.924 64.283 -0.359 1
1 447 . 5 1 1 A 44 44 SER N N 44 115.582 117.952 -2.370 1
1 448 . 5 1 1 A 45 45 GLN HA H 45 4.346 4.014 0.332 1
1 455 . 5 1 1 A 45 45 GLN C C 45 175.931 177.573 -1.642 1
1 456 . 5 1 1 A 45 45 GLN CA C 45 56.358 59.807 -3.449 1
1 457 . 5 1 1 A 45 45 GLN CB C 45 28.392 28.019 0.373 1
1 460 . 5 1 1 A 46 46 ASP H H 46 8.053 7.984 0.069 1
1 461 . 5 1 1 A 46 46 ASP HA H 46 4.615 4.435 0.180 1
1 464 . 5 1 1 A 46 46 ASP C C 46 176.998 176.949 0.049 1
1 465 . 5 1 1 A 46 46 ASP CA C 46 54.188 56.756 -2.568 1
1 466 . 5 1 1 A 46 46 ASP CB C 46 41.099 40.913 0.186 1
1 467 . 5 1 1 A 46 46 ASP N N 46 119.460 116.950 2.510 1
1 468 . 5 1 1 A 47 47 GLY H H 47 8.311 7.931 0.380 1
1 469 . 5 1 1 A 47 47 GLY HA2 H 47 3.970 3.951 0.019 1
1 470 . 5 1 1 A 47 47 GLY HA3 H 47 3.970 3.953 0.017 1
1 471 . 5 1 1 A 47 47 GLY C C 47 174.725 174.935 -0.210 1
1 472 . 5 1 1 A 47 47 GLY CA C 47 45.892 46.146 -0.254 1
1 473 . 5 1 1 A 47 47 GLY N N 47 109.753 108.283 1.470 1
1 474 . 5 1 1 A 48 48 ARG H H 48 8.300 8.149 0.151 1
1 475 . 5 1 1 A 48 48 ARG HA H 48 4.308 4.378 -0.070 1
1 482 . 5 1 1 A 48 48 ARG C C 48 176.347 176.707 -0.360 1
1 483 . 5 1 1 A 48 48 ARG CA C 48 56.782 56.467 0.315 1
1 484 . 5 1 1 A 48 48 ARG CB C 48 30.654 31.557 -0.903 1
1 487 . 5 1 1 A 48 48 ARG N N 48 119.526 117.940 1.586 1
1 488 . 5 1 1 A 49 49 LEU H H 49 7.682 7.495 0.187 1
1 489 . 5 1 1 A 49 49 LEU HA H 49 4.252 4.168 0.084 1
1 499 . 5 1 1 A 49 49 LEU C C 49 174.707 174.892 -0.185 1
1 500 . 5 1 1 A 49 49 LEU CA C 49 53.040 53.951 -0.911 1
1 501 . 5 1 1 A 49 49 LEU CB C 49 41.759 41.525 0.234 1
1 505 . 5 1 1 A 49 49 LEU N N 49 121.049 122.470 -1.421 1
1 506 . 5 1 1 A 50 50 PRO HA H 50 4.392 4.711 -0.319 1
1 513 . 5 1 1 A 50 50 PRO C C 50 175.058 177.332 -2.274 1
1 514 . 5 1 1 A 50 50 PRO CA C 50 62.323 62.662 -0.339 1
1 515 . 5 1 1 A 50 50 PRO CB C 50 31.353 31.698 -0.345 1
1 518 . 5 1 1 A 51 51 ARG H H 51 8.295 8.474 -0.179 1
1 519 . 5 1 1 A 51 51 ARG HA H 51 4.511 3.978 0.533 1
1 526 . 5 1 1 A 51 51 ARG C C 51 177.443 176.308 1.135 1
1 527 . 5 1 1 A 51 51 ARG CA C 51 56.728 58.504 -1.776 1
1 528 . 5 1 1 A 51 51 ARG CB C 51 31.194 29.865 1.329 1
1 531 . 5 1 1 A 51 51 ARG N N 51 119.201 122.985 -3.784 1
1 532 . 5 1 1 A 52 52 THR H H 52 7.372 8.132 -0.760 1
1 533 . 5 1 1 A 52 52 THR HA H 52 4.963 4.847 0.116 1
1 538 . 5 1 1 A 52 52 THR C C 52 173.287 173.237 0.050 1
1 539 . 5 1 1 A 52 52 THR CA C 52 59.411 59.825 -0.414 1
1 540 . 5 1 1 A 52 52 THR CB C 52 71.632 71.567 0.065 1
1 542 . 5 1 1 A 52 52 THR N N 52 109.591 109.231 0.360 1
1 543 . 5 1 1 A 53 53 ILE H H 53 8.742 8.815 -0.073 1
1 544 . 5 1 1 A 53 53 ILE HA H 53 3.845 4.612 -0.767 1
1 554 . 5 1 1 A 53 53 ILE C C 53 173.374 174.389 -1.015 1
1 555 . 5 1 1 A 53 53 ILE CA C 53 57.735 57.578 0.157 1
1 556 . 5 1 1 A 53 53 ILE CB C 53 41.196 40.467 0.729 1
1 560 . 5 1 1 A 53 53 ILE N N 53 123.236 123.808 -0.572 1
1 561 . 5 1 1 A 54 54 PRO HA H 54 4.541 4.648 -0.107 1
1 568 . 5 1 1 A 54 54 PRO CA C 54 61.292 62.420 -1.128 1
1 569 . 5 1 1 A 54 54 PRO CB C 54 30.119 31.430 -1.311 1
1 572 . 5 1 1 A 55 55 LEU H H 55 8.146 8.484 -0.338 1
1 573 . 5 1 1 A 55 55 LEU HA H 55 4.262 3.853 0.409 1
1 583 . 5 1 1 A 55 55 LEU CA C 55 58.660 58.954 -0.294 1
1 584 . 5 1 1 A 55 55 LEU CB C 55 39.660 39.565 0.095 1
1 588 . 5 1 1 A 55 55 LEU N N 55 127.224 123.622 3.602 1
1 589 . 5 1 1 A 56 56 PRO HA H 56 4.630 4.378 0.252 1
1 596 . 5 1 1 A 56 56 PRO C C 56 177.498 177.870 -0.372 1
1 597 . 5 1 1 A 56 56 PRO CA C 56 65.782 65.152 0.630 1
1 598 . 5 1 1 A 56 56 PRO CB C 56 31.188 31.621 -0.433 1
1 601 . 5 1 1 A 57 57 SER H H 57 7.722 7.894 -0.172 1
1 602 . 5 1 1 A 57 57 SER HA H 57 4.723 4.796 -0.073 1
1 605 . 5 1 1 A 57 57 SER C C 57 174.102 174.006 0.096 1
1 606 . 5 1 1 A 57 57 SER CA C 57 58.423 58.516 -0.093 1
1 607 . 5 1 1 A 57 57 SER CB C 57 63.924 65.348 -1.424 1
1 608 . 5 1 1 A 57 57 SER N N 57 110.169 111.426 -1.257 1
1 609 . 5 1 1 A 58 58 CYS H H 58 8.002 7.392 0.610 1
1 610 . 5 1 1 A 58 58 CYS HA H 58 5.282 4.380 0.902 1
1 613 . 5 1 1 A 58 58 CYS C C 58 174.525 174.279 0.246 1
1 614 . 5 1 1 A 58 58 CYS CA C 58 59.447 59.998 -0.551 1
1 615 . 5 1 1 A 58 58 CYS CB C 58 29.594 27.916 1.678 1
1 616 . 5 1 1 A 58 58 CYS N N 58 118.902 118.134 0.768 1
1 617 . 5 1 1 A 59 59 LYS H H 59 9.242 8.716 0.526 1
1 618 . 5 1 1 A 59 59 LYS HA H 59 4.777 4.768 0.009 1
1 627 . 5 1 1 A 59 59 LYS C C 59 175.947 175.065 0.882 1
1 628 . 5 1 1 A 59 59 LYS CA C 59 55.299 54.791 0.508 1
1 629 . 5 1 1 A 59 59 LYS CB C 59 34.561 33.805 0.756 1
1 633 . 5 1 1 A 59 59 LYS N N 59 122.306 125.809 -3.503 1
1 634 . 5 1 1 A 60 60 LEU H H 60 9.030 8.982 0.048 1
1 635 . 5 1 1 A 60 60 LEU HA H 60 5.543 4.647 0.896 1
1 645 . 5 1 1 A 60 60 LEU C C 60 176.239 176.098 0.141 1
1 646 . 5 1 1 A 60 60 LEU CA C 60 53.958 54.732 -0.774 1
1 647 . 5 1 1 A 60 60 LEU CB C 60 44.454 41.743 2.711 1
1 651 . 5 1 1 A 60 60 LEU N N 60 129.520 129.257 0.263 1
1 652 . 5 1 1 A 61 61 SER H H 61 9.077 8.416 0.661 1
1 653 . 5 1 1 A 61 61 SER HA H 61 4.832 5.059 -0.227 1
1 656 . 5 1 1 A 61 61 SER C C 61 172.173 172.862 -0.689 1
1 657 . 5 1 1 A 61 61 SER CA C 61 57.558 57.190 0.368 1
1 658 . 5 1 1 A 61 61 SER CB C 61 65.692 65.991 -0.299 1
1 659 . 5 1 1 A 61 61 SER N N 61 117.374 119.429 -2.055 1
1 660 . 5 1 1 A 62 62 VAL H H 62 8.784 8.768 0.016 1
1 661 . 5 1 1 A 62 62 VAL HA H 62 4.927 4.711 0.216 1
1 669 . 5 1 1 A 62 62 VAL C C 62 174.367 174.582 -0.215 1
1 670 . 5 1 1 A 62 62 VAL CA C 62 59.782 59.817 -0.035 1
1 671 . 5 1 1 A 62 62 VAL CB C 62 33.518 31.994 1.524 1
1 674 . 5 1 1 A 62 62 VAL N N 62 119.929 126.121 -6.192 1
1 675 . 5 1 1 A 63 63 PRO HA H 63 4.495 4.681 -0.186 1
1 682 . 5 1 1 A 63 63 PRO CA C 63 62.526 62.367 0.159 1
1 683 . 5 1 1 A 63 63 PRO CB C 63 32.504 32.591 -0.087 1
1 686 . 5 1 1 A 64 64 ASP H H 64 8.762 8.782 -0.020 1
1 687 . 5 1 1 A 64 64 ASP HA H 64 4.780 4.758 0.022 1
1 690 . 5 1 1 A 64 64 ASP CA C 64 53.231 52.800 0.431 1
1 691 . 5 1 1 A 64 64 ASP CB C 64 41.105 40.143 0.962 1
1 692 . 5 1 1 A 64 64 ASP N N 64 123.527 121.073 2.454 1
1 693 . 5 1 1 A 65 65 PRO HA H 65 4.371 4.436 -0.065 1
1 700 . 5 1 1 A 65 65 PRO C C 65 178.309 178.091 0.218 1
1 701 . 5 1 1 A 65 65 PRO CA C 65 64.829 64.843 -0.014 1
1 702 . 5 1 1 A 65 65 PRO CB C 65 32.136 32.105 0.031 1
1 705 . 5 1 1 A 66 66 GLU H H 66 8.890 8.875 0.015 1
1 706 . 5 1 1 A 66 66 GLU HA H 66 4.129 4.181 -0.052 1
1 711 . 5 1 1 A 66 66 GLU C C 66 177.222 177.194 0.028 1
1 712 . 5 1 1 A 66 66 GLU CA C 66 57.805 58.035 -0.230 1
1 713 . 5 1 1 A 66 66 GLU CB C 66 29.334 28.566 0.768 1
1 715 . 5 1 1 A 66 66 GLU N N 66 117.225 116.206 1.019 1
1 716 . 5 1 1 A 67 67 GLU H H 67 7.971 8.056 -0.085 1
1 717 . 5 1 1 A 67 67 GLU HA H 67 4.136 4.425 -0.289 1
1 722 . 5 1 1 A 67 67 GLU C C 67 176.058 176.025 0.033 1
1 723 . 5 1 1 A 67 67 GLU CA C 67 57.328 56.774 0.554 1
1 724 . 5 1 1 A 67 67 GLU CB C 67 29.594 30.465 -0.871 1
1 726 . 5 1 1 A 67 67 GLU N N 67 119.516 121.596 -2.080 1
1 727 . 5 1 1 A 68 68 ARG H H 68 8.020 8.595 -0.575 1
1 728 . 5 1 1 A 68 68 ARG HA H 68 4.043 4.765 -0.722 1
1 735 . 5 1 1 A 68 68 ARG C C 68 175.591 175.092 0.499 1
1 736 . 5 1 1 A 68 68 ARG CA C 68 56.075 54.733 1.342 1
1 737 . 5 1 1 A 68 68 ARG CB C 68 28.927 30.768 -1.841 1
1 740 . 5 1 1 A 68 68 ARG N N 68 118.917 121.148 -2.231 1
1 741 . 5 1 1 A 69 69 LEU H H 69 8.188 8.595 -0.407 1
1 742 . 5 1 1 A 69 69 LEU HA H 69 4.372 4.878 -0.506 1
1 752 . 5 1 1 A 69 69 LEU C C 69 176.013 178.111 -2.098 1
1 753 . 5 1 1 A 69 69 LEU CA C 69 54.682 53.537 1.145 1
1 754 . 5 1 1 A 69 69 LEU CB C 69 43.238 42.992 0.246 1
1 758 . 5 1 1 A 69 69 LEU N N 69 122.935 125.331 -2.396 1
1 759 . 5 1 1 A 70 70 ASP H H 70 8.382 9.053 -0.671 1
1 760 . 5 1 1 A 70 70 ASP HA H 70 4.123 4.508 -0.385 1
1 763 . 5 1 1 A 70 70 ASP C C 70 175.200 175.614 -0.414 1
1 764 . 5 1 1 A 70 70 ASP CA C 70 54.558 56.475 -1.917 1
1 765 . 5 1 1 A 70 70 ASP CB C 70 40.634 40.983 -0.349 1
1 766 . 5 1 1 A 70 70 ASP N N 70 119.400 122.070 -2.670 1
1 767 . 5 1 1 A 71 71 SER H H 71 7.391 7.577 -0.186 1
1 768 . 5 1 1 A 71 71 SER HA H 71 4.233 4.474 -0.241 1
1 771 . 5 1 1 A 71 71 SER C C 71 174.294 174.446 -0.152 1
1 772 . 5 1 1 A 71 71 SER CA C 71 58.017 57.302 0.715 1
1 773 . 5 1 1 A 71 71 SER CB C 71 63.430 65.287 -1.857 1
1 774 . 5 1 1 A 71 71 SER N N 71 114.807 112.446 2.361 1
1 775 . 5 1 1 A 72 72 GLY H H 72 7.981 8.340 -0.359 1
1 776 . 5 1 1 A 72 72 GLY HA2 H 72 3.702 3.612 0.090 1
1 777 . 5 1 1 A 72 72 GLY HA3 H 72 3.610 3.723 -0.113 1
1 778 . 5 1 1 A 72 72 GLY C C 72 172.912 173.920 -1.008 1
1 779 . 5 1 1 A 72 72 GLY CA C 72 44.675 46.362 -1.687 1
1 780 . 5 1 1 A 72 72 GLY N N 72 108.675 111.755 -3.080 1
1 781 . 5 1 1 A 73 73 HIS H H 73 8.462 7.998 0.464 1
1 782 . 5 1 1 A 73 73 HIS HA H 73 4.859 5.150 -0.291 1
1 787 . 5 1 1 A 73 73 HIS C C 73 174.804 174.093 0.711 1
1 788 . 5 1 1 A 73 73 HIS CA C 73 54.700 54.937 -0.237 1
1 789 . 5 1 1 A 73 73 HIS CB C 73 28.762 30.357 -1.595 1
1 792 . 5 1 1 A 73 73 HIS N N 73 122.843 117.774 5.069 1
1 793 . 5 1 1 A 74 74 VAL H H 74 7.682 8.769 -1.087 1
1 794 . 5 1 1 A 74 74 VAL HA H 74 5.402 4.626 0.776 1
1 802 . 5 1 1 A 74 74 VAL C C 74 176.121 173.766 2.355 1
1 803 . 5 1 1 A 74 74 VAL CA C 74 61.246 60.280 0.966 1
1 804 . 5 1 1 A 74 74 VAL CB C 74 35.383 35.629 -0.246 1
1 807 . 5 1 1 A 74 74 VAL N N 74 120.824 121.700 -0.876 1
1 808 . 5 1 1 A 75 75 TRP H H 75 9.581 8.167 1.414 1
1 809 . 5 1 1 A 75 75 TRP HA H 75 5.342 5.881 -0.539 1
1 818 . 5 1 1 A 75 75 TRP C C 75 171.123 173.615 -2.492 1
1 819 . 5 1 1 A 75 75 TRP CA C 75 57.046 54.629 2.417 1
1 820 . 5 1 1 A 75 75 TRP CB C 75 32.834 33.181 -0.347 1
1 826 . 5 1 1 A 75 75 TRP N N 75 124.656 124.885 -0.229 1
1 828 . 5 1 1 A 76 76 LYS H H 76 9.557 9.394 0.163 1
1 829 . 5 1 1 A 76 76 LYS HA H 76 5.192 4.832 0.360 1
1 838 . 5 1 1 A 76 76 LYS C C 76 174.801 174.878 -0.077 1
1 839 . 5 1 1 A 76 76 LYS CA C 76 54.876 54.744 0.132 1
1 840 . 5 1 1 A 76 76 LYS CB C 76 36.740 34.776 1.964 1
1 844 . 5 1 1 A 76 76 LYS N N 76 121.724 121.199 0.525 1
1 845 . 5 1 1 A 77 77 LEU H H 77 8.957 8.713 0.244 1
1 846 . 5 1 1 A 77 77 LEU HA H 77 5.272 5.234 0.038 1
1 856 . 5 1 1 A 77 77 LEU C C 77 174.927 175.085 -0.158 1
1 857 . 5 1 1 A 77 77 LEU CA C 77 54.046 53.893 0.153 1
1 858 . 5 1 1 A 77 77 LEU CB C 77 46.281 44.448 1.833 1
1 862 . 5 1 1 A 77 77 LEU N N 77 124.578 126.274 -1.696 1
1 863 . 5 1 1 A 78 78 GLN H H 78 8.629 8.664 -0.035 1
1 864 . 5 1 1 A 78 78 GLN HA H 78 5.308 5.484 -0.176 1
1 871 . 5 1 1 A 78 78 GLN C C 78 174.564 174.755 -0.191 1
1 872 . 5 1 1 A 78 78 GLN CA C 78 54.452 54.431 0.021 1
1 873 . 5 1 1 A 78 78 GLN CB C 78 32.833 31.482 1.351 1
1 875 . 5 1 1 A 78 78 GLN N N 78 121.344 125.181 -3.837 1
1 877 . 5 1 1 A 79 79 TRP H H 79 8.601 8.208 0.393 1
1 878 . 5 1 1 A 79 79 TRP HA H 79 5.003 4.988 0.015 1
1 887 . 5 1 1 A 79 79 TRP C C 79 173.001 174.090 -1.089 1
1 888 . 5 1 1 A 79 79 TRP CA C 79 56.323 56.712 -0.389 1
1 889 . 5 1 1 A 79 79 TRP CB C 79 32.258 31.499 0.759 1
1 895 . 5 1 1 A 79 79 TRP N N 79 128.274 123.744 4.530 1
1 897 . 5 1 1 A 80 80 ALA H H 80 9.181 9.314 -0.133 1
1 898 . 5 1 1 A 80 80 ALA HA H 80 3.933 3.902 0.031 1
1 902 . 5 1 1 A 80 80 ALA C C 80 177.360 176.306 1.054 1
1 903 . 5 1 1 A 80 80 ALA CA C 80 54.222 53.204 1.018 1
1 904 . 5 1 1 A 80 80 ALA CB C 80 17.329 17.234 0.095 1
1 905 . 5 1 1 A 80 80 ALA N N 80 126.348 121.600 4.748 1
1 906 . 5 1 1 A 81 81 LYS H H 81 8.163 8.391 -0.228 1
1 907 . 5 1 1 A 81 81 LYS HA H 81 4.290 3.683 0.607 1
1 916 . 5 1 1 A 81 81 LYS C C 81 176.068 174.421 1.647 1
1 917 . 5 1 1 A 81 81 LYS CA C 81 56.305 57.367 -1.062 1
1 918 . 5 1 1 A 81 81 LYS CB C 81 31.312 29.498 1.814 1
1 922 . 5 1 1 A 81 81 LYS N N 81 120.289 107.352 12.937 1
1 923 . 5 1 1 A 82 82 GLN H H 82 8.423 7.622 0.801 1
1 924 . 5 1 1 A 82 82 GLN HA H 82 4.255 4.717 -0.462 1
1 931 . 5 1 1 A 82 82 GLN C C 82 174.996 173.938 1.058 1
1 932 . 5 1 1 A 82 82 GLN CA C 82 54.805 53.848 0.957 1
1 933 . 5 1 1 A 82 82 GLN CB C 82 30.942 32.109 -1.167 1
1 935 . 5 1 1 A 82 82 GLN N N 82 119.918 116.499 3.419 1
1 937 . 5 1 1 A 83 83 SER H H 83 7.683 8.181 -0.498 1
1 938 . 5 1 1 A 83 83 SER HA H 83 4.991 5.366 -0.375 1
1 941 . 5 1 1 A 83 83 SER C C 83 171.947 172.388 -0.441 1
1 942 . 5 1 1 A 83 83 SER CA C 83 57.629 57.421 0.208 1
1 943 . 5 1 1 A 83 83 SER CB C 83 64.664 65.256 -0.592 1
1 944 . 5 1 1 A 83 83 SER N N 83 115.649 112.602 3.047 1
1 945 . 5 1 1 A 84 84 TRP H H 84 8.665 8.980 -0.315 1
1 946 . 5 1 1 A 84 84 TRP HA H 84 4.714 5.078 -0.364 1
1 955 . 5 1 1 A 84 84 TRP C C 84 174.105 174.842 -0.737 1
1 956 . 5 1 1 A 84 84 TRP CA C 84 56.834 56.242 0.592 1
1 957 . 5 1 1 A 84 84 TRP CB C 84 33.368 33.329 0.039 1
1 963 . 5 1 1 A 84 84 TRP N N 84 122.334 124.654 -2.320 1
1 965 . 5 1 1 A 85 85 TYR H H 85 9.220 8.842 0.378 1
1 966 . 5 1 1 A 85 85 TYR HA H 85 5.209 5.152 0.057 1
1 973 . 5 1 1 A 85 85 TYR C C 85 175.136 174.763 0.373 1
1 974 . 5 1 1 A 85 85 TYR CA C 85 56.993 57.032 -0.039 1
1 975 . 5 1 1 A 85 85 TYR CB C 85 41.058 40.121 0.937 1
1 980 . 5 1 1 A 85 85 TYR N N 85 117.934 121.558 -3.624 1
1 981 . 5 1 1 A 86 86 LEU H H 86 8.662 8.605 0.057 1
1 982 . 5 1 1 A 86 86 LEU HA H 86 5.172 4.842 0.330 1
1 992 . 5 1 1 A 86 86 LEU C C 86 174.454 175.002 -0.548 1
1 993 . 5 1 1 A 86 86 LEU CA C 86 53.587 53.078 0.509 1
1 994 . 5 1 1 A 86 86 LEU CB C 86 43.773 41.342 2.431 1
1 998 . 5 1 1 A 86 86 LEU N N 86 121.945 125.214 -3.269 1
1 999 . 5 1 1 A 87 87 SER H H 87 8.642 8.462 0.180 1
1 1000 . 5 1 1 A 87 87 SER HA H 87 4.995 4.774 0.221 1
1 1003 . 5 1 1 A 87 87 SER C C 87 173.683 173.386 0.297 1
1 1004 . 5 1 1 A 87 87 SER CA C 87 55.052 57.692 -2.640 1
1 1005 . 5 1 1 A 87 87 SER CB C 87 65.487 64.482 1.005 1
1 1006 . 5 1 1 A 87 87 SER N N 87 111.719 122.323 -10.604 1
1 1007 . 5 1 1 A 88 88 ALA H H 88 8.472 8.704 -0.232 1
1 1008 . 5 1 1 A 88 88 ALA HA H 88 5.184 4.771 0.413 1
1 1012 . 5 1 1 A 88 88 ALA C C 88 178.012 177.576 0.436 1
1 1013 . 5 1 1 A 88 88 ALA CA C 88 49.423 50.102 -0.679 1
1 1014 . 5 1 1 A 88 88 ALA CB C 88 22.919 22.699 0.220 1
1 1015 . 5 1 1 A 88 88 ALA N N 88 126.939 125.959 0.980 1
1 1016 . 5 1 1 A 89 89 SER H H 89 8.182 8.571 -0.389 1
1 1017 . 5 1 1 A 89 89 SER HA H 89 4.274 4.257 0.017 1
1 1020 . 5 1 1 A 89 89 SER C C 89 174.039 174.226 -0.187 1
1 1021 . 5 1 1 A 89 89 SER CA C 89 60.135 61.702 -1.567 1
1 1022 . 5 1 1 A 89 89 SER CB C 89 63.571 63.342 0.229 1
1 1023 . 5 1 1 A 89 89 SER N N 89 111.359 116.596 -5.237 1
1 1024 . 5 1 1 A 90 90 SER H H 90 7.392 7.577 -0.185 1
1 1025 . 5 1 1 A 90 90 SER HA H 90 4.383 4.211 0.172 1
1 1028 . 5 1 1 A 90 90 SER C C 90 173.114 173.213 -0.099 1
1 1029 . 5 1 1 A 90 90 SER CA C 90 56.023 56.217 -0.194 1
1 1030 . 5 1 1 A 90 90 SER CB C 90 67.108 64.394 2.714 1
1 1031 . 5 1 1 A 90 90 SER N N 90 113.112 111.675 1.437 1
1 1032 . 5 1 1 A 91 91 ALA H H 91 8.532 8.107 0.425 1
1 1033 . 5 1 1 A 91 91 ALA HA H 91 3.763 3.862 -0.099 1
1 1037 . 5 1 1 A 91 91 ALA C C 91 179.816 179.304 0.512 1
1 1038 . 5 1 1 A 91 91 ALA CA C 91 54.699 55.079 -0.380 1
1 1039 . 5 1 1 A 91 91 ALA CB C 91 18.111 18.073 0.038 1
1 1040 . 5 1 1 A 91 91 ALA N N 91 123.767 124.924 -1.157 1
1 1041 . 5 1 1 A 92 92 GLU H H 92 8.766 8.046 0.720 1
1 1042 . 5 1 1 A 92 92 GLU HA H 92 3.942 4.026 -0.084 1
1 1047 . 5 1 1 A 92 92 GLU C C 92 179.568 178.831 0.737 1
1 1048 . 5 1 1 A 92 92 GLU CA C 92 60.206 59.118 1.088 1
1 1049 . 5 1 1 A 92 92 GLU CB C 92 28.721 29.453 -0.732 1
1 1051 . 5 1 1 A 92 92 GLU N N 92 118.712 118.492 0.220 1
1 1052 . 5 1 1 A 93 93 LEU H H 93 7.852 7.842 0.010 1
1 1053 . 5 1 1 A 93 93 LEU HA H 93 4.274 4.146 0.128 1
1 1063 . 5 1 1 A 93 93 LEU C C 93 178.805 178.582 0.223 1
1 1064 . 5 1 1 A 93 93 LEU CA C 93 57.382 56.901 0.481 1
1 1065 . 5 1 1 A 93 93 LEU CB C 93 43.115 41.671 1.444 1
1 1069 . 5 1 1 A 93 93 LEU N N 93 121.212 120.964 0.248 1
1 1070 . 5 1 1 A 94 94 GLN H H 94 8.080 8.092 -0.012 1
1 1071 . 5 1 1 A 94 94 GLN HA H 94 3.843 4.317 -0.474 1
1 1078 . 5 1 1 A 94 94 GLN C C 94 176.960 178.017 -1.057 1
1 1079 . 5 1 1 A 94 94 GLN CA C 94 59.694 59.116 0.578 1
1 1080 . 5 1 1 A 94 94 GLN CB C 94 28.063 28.758 -0.695 1
1 1082 . 5 1 1 A 94 94 GLN N N 94 120.439 119.332 1.107 1
1 1084 . 5 1 1 A 95 95 GLN H H 95 8.293 8.341 -0.048 1
1 1085 . 5 1 1 A 95 95 GLN HA H 95 3.779 4.039 -0.260 1
1 1092 . 5 1 1 A 95 95 GLN C C 95 177.938 177.805 0.133 1
1 1093 . 5 1 1 A 95 95 GLN CA C 95 59.005 58.815 0.190 1
1 1094 . 5 1 1 A 95 95 GLN CB C 95 27.610 28.357 -0.747 1
1 1096 . 5 1 1 A 95 95 GLN N N 95 117.408 117.072 0.336 1
1 1098 . 5 1 1 A 96 96 GLN H H 96 7.731 7.849 -0.118 1
1 1099 . 5 1 1 A 96 96 GLN HA H 96 3.966 4.014 -0.048 1
1 1106 . 5 1 1 A 96 96 GLN C C 96 179.685 177.404 2.281 1
1 1107 . 5 1 1 A 96 96 GLN CA C 96 58.987 58.003 0.984 1
1 1108 . 5 1 1 A 96 96 GLN CB C 96 28.433 28.010 0.423 1
1 1110 . 5 1 1 A 96 96 GLN N N 96 119.621 117.503 2.118 1
1 1112 . 5 1 1 A 97 97 TRP H H 97 8.410 7.158 1.252 1
1 1113 . 5 1 1 A 97 97 TRP HA H 97 3.792 4.444 -0.652 1
1 1122 . 5 1 1 A 97 97 TRP C C 97 178.515 178.790 -0.275 1
1 1123 . 5 1 1 A 97 97 TRP CA C 97 61.670 59.539 2.131 1
1 1124 . 5 1 1 A 97 97 TRP CB C 97 29.972 30.157 -0.185 1
1 1130 . 5 1 1 A 97 97 TRP N N 97 121.370 119.925 1.445 1
1 1132 . 5 1 1 A 98 98 LEU H H 98 8.505 8.001 0.504 1
1 1133 . 5 1 1 A 98 98 LEU HA H 98 3.485 3.531 -0.046 1
1 1143 . 5 1 1 A 98 98 LEU C C 98 180.194 178.915 1.279 1
1 1144 . 5 1 1 A 98 98 LEU CA C 98 58.706 57.684 1.022 1
1 1145 . 5 1 1 A 98 98 LEU CB C 98 41.141 41.184 -0.043 1
1 1149 . 5 1 1 A 98 98 LEU N N 98 119.038 119.918 -0.880 1
1 1150 . 5 1 1 A 99 99 GLU H H 99 8.241 8.541 -0.300 1
1 1151 . 5 1 1 A 99 99 GLU HA H 99 3.927 4.321 -0.394 1
1 1156 . 5 1 1 A 99 99 GLU C C 99 179.082 179.075 0.007 1
1 1157 . 5 1 1 A 99 99 GLU CA C 99 59.587 58.969 0.618 1
1 1158 . 5 1 1 A 99 99 GLU CB C 99 29.296 29.187 0.109 1
1 1160 . 5 1 1 A 99 99 GLU N N 99 119.886 117.962 1.924 1
1 1161 . 5 1 1 A 100 100 THR H H 100 7.780 7.631 0.149 1
1 1162 . 5 1 1 A 100 100 THR HA H 100 3.862 3.879 -0.017 1
1 1167 . 5 1 1 A 100 100 THR C C 100 176.899 176.348 0.551 1
1 1168 . 5 1 1 A 100 100 THR CA C 100 67.088 67.233 -0.145 1
1 1169 . 5 1 1 A 100 100 THR CB C 100 68.178 68.648 -0.470 1
1 1171 . 5 1 1 A 100 100 THR N N 100 116.913 116.733 0.180 1
1 1172 . 5 1 1 A 101 101 LEU H H 101 9.159 8.482 0.677 1
1 1173 . 5 1 1 A 101 101 LEU HA H 101 3.993 3.998 -0.005 1
1 1183 . 5 1 1 A 101 101 LEU C C 101 178.416 179.291 -0.875 1
1 1184 . 5 1 1 A 101 101 LEU CA C 101 58.017 57.751 0.266 1
1 1185 . 5 1 1 A 101 101 LEU CB C 101 42.004 41.475 0.529 1
1 1189 . 5 1 1 A 101 101 LEU N N 101 121.065 120.729 0.336 1
1 1190 . 5 1 1 A 102 102 SER H H 102 7.978 8.290 -0.312 1
1 1191 . 5 1 1 A 102 102 SER HA H 102 4.094 4.202 -0.108 1
1 1194 . 5 1 1 A 102 102 SER C C 102 176.370 177.466 -1.096 1
1 1195 . 5 1 1 A 102 102 SER CA C 102 61.794 61.526 0.268 1
1 1196 . 5 1 1 A 102 102 SER CB C 102 62.855 62.206 0.649 1
1 1197 . 5 1 1 A 102 102 SER N N 102 112.923 113.094 -0.171 1
1 1198 . 5 1 1 A 103 103 THR H H 103 7.683 8.381 -0.698 1
1 1199 . 5 1 1 A 103 103 THR HA H 103 4.020 3.889 0.131 1
1 1204 . 5 1 1 A 103 103 THR C C 103 176.061 176.385 -0.324 1
1 1205 . 5 1 1 A 103 103 THR CA C 103 65.412 66.156 -0.744 1
1 1206 . 5 1 1 A 103 103 THR CB C 103 68.918 68.331 0.587 1
1 1208 . 5 1 1 A 103 103 THR N N 103 116.420 116.947 -0.527 1
1 1209 . 5 1 1 A 104 104 ALA H H 104 7.760 7.834 -0.074 1
1 1210 . 5 1 1 A 104 104 ALA HA H 104 4.272 4.284 -0.012 1
1 1214 . 5 1 1 A 104 104 ALA C C 104 178.160 177.951 0.209 1
1 1215 . 5 1 1 A 104 104 ALA CA C 104 54.011 53.066 0.945 1
1 1216 . 5 1 1 A 104 104 ALA CB C 104 20.155 18.730 1.425 1
1 1217 . 5 1 1 A 104 104 ALA N N 104 123.981 123.416 0.565 1
1 1218 . 5 1 1 A 105 105 ALA H H 105 7.824 7.560 0.264 1
1 1219 . 5 1 1 A 105 105 ALA HA H 105 4.092 4.485 -0.393 1
1 1223 . 5 1 1 A 105 105 ALA C C 105 177.657 176.988 0.669 1
1 1224 . 5 1 1 A 105 105 ALA CA C 105 53.058 51.331 1.727 1
1 1225 . 5 1 1 A 105 105 ALA CB C 105 19.067 18.760 0.307 1
1 1226 . 5 1 1 A 105 105 ALA N N 105 118.227 119.876 -1.649 1
1 1227 . 5 1 1 A 106 106 HIS H H 106 7.675 7.935 -0.260 1
1 1228 . 5 1 1 A 106 106 HIS HA H 106 4.703 4.513 0.190 1
1 1233 . 5 1 1 A 106 106 HIS C C 106 175.296 174.901 0.395 1
1 1234 . 5 1 1 A 106 106 HIS CA C 106 56.287 55.518 0.769 1
1 1235 . 5 1 1 A 106 106 HIS CB C 106 30.407 29.800 0.607 1
1 1238 . 5 1 1 A 106 106 HIS N N 106 115.860 115.603 0.257 1
1 1239 . 5 1 1 A 107 107 SER H H 107 8.015 8.908 -0.893 1
1 1240 . 5 1 1 A 107 107 SER HA H 107 4.560 4.337 0.223 1
1 1243 . 5 1 1 A 107 107 SER C C 107 174.345 175.401 -1.056 1
1 1244 . 5 1 1 A 107 107 SER CA C 107 58.546 60.960 -2.414 1
1 1245 . 5 1 1 A 107 107 SER CB C 107 64.130 63.931 0.199 1
1 1246 . 5 1 1 A 107 107 SER N N 107 116.310 118.455 -2.145 1
1 1247 . 5 1 1 A 108 108 GLY H H 108 8.282 7.729 0.553 1
1 1248 . 5 1 1 A 108 108 GLY HA2 H 108 4.213 4.038 0.175 1
1 1249 . 5 1 1 A 108 108 GLY HA3 H 108 4.042 4.056 -0.014 1
1 1250 . 5 1 1 A 108 108 GLY C C 108 171.750 173.090 -1.340 1
1 1251 . 5 1 1 A 108 108 GLY CA C 108 44.640 45.172 -0.532 1
1 1252 . 5 1 1 A 108 108 GLY N N 108 110.511 108.519 1.992 1
1 1253 . 5 1 1 A 109 109 PRO HA H 109 4.497 4.677 -0.180 1
1 1260 . 5 1 1 A 109 109 PRO C C 109 177.419 177.683 -0.264 1
1 1261 . 5 1 1 A 109 109 PRO CA C 109 63.241 62.578 0.663 1
1 1262 . 5 1 1 A 109 109 PRO CB C 109 32.264 31.821 0.443 1
1 1265 . 5 1 1 A 110 110 SER H H 110 8.558 8.904 -0.346 1
1 1266 . 5 1 1 A 110 110 SER C C 110 174.715 174.159 0.556 1
1 1267 . 5 1 1 A 110 110 SER CA C 110 58.335 61.243 -2.908 1
1 1268 . 5 1 1 A 110 110 SER CB C 110 63.759 63.193 0.566 1
1 1269 . 5 1 1 A 110 110 SER N N 110 116.470 120.965 -4.495 1
1 1270 . 5 1 1 A 111 111 SER H H 111 8.357 8.045 0.312 1
1 1271 . 5 1 1 A 111 111 SER C C 111 173.931 173.235 0.696 1
1 1272 . 5 1 1 A 111 111 SER CA C 111 58.335 57.157 1.178 1
1 1 . 6 1 1 A 8 8 SER HA H 8 5.012 4.972 0.040 1
1 4 . 6 1 1 A 8 8 SER CA C 8 58.166 57.713 0.453 1
1 5 . 6 1 1 A 8 8 SER CB C 8 64.582 65.636 -1.054 1
1 6 . 6 1 1 A 9 9 LEU H H 9 9.253 7.816 1.437 1
1 7 . 6 1 1 A 9 9 LEU HA H 9 4.091 4.036 0.055 1
1 17 . 6 1 1 A 9 9 LEU C C 9 176.799 176.814 -0.015 1
1 18 . 6 1 1 A 9 9 LEU CA C 9 57.523 57.513 0.010 1
1 19 . 6 1 1 A 9 9 LEU CB C 9 42.703 42.123 0.580 1
1 23 . 6 1 1 A 9 9 LEU N N 9 127.432 126.345 1.087 1
1 24 . 6 1 1 A 10 10 LEU H H 10 6.827 7.832 -1.005 1
1 25 . 6 1 1 A 10 10 LEU HA H 10 4.201 4.622 -0.421 1
1 35 . 6 1 1 A 10 10 LEU C C 10 173.779 174.309 -0.530 1
1 36 . 6 1 1 A 10 10 LEU CA C 10 54.399 53.912 0.487 1
1 37 . 6 1 1 A 10 10 LEU CB C 10 45.006 45.621 -0.615 1
1 41 . 6 1 1 A 10 10 LEU N N 10 116.105 117.910 -1.805 1
1 42 . 6 1 1 A 11 11 CYS H H 11 7.989 8.824 -0.835 1
1 43 . 6 1 1 A 11 11 CYS HA H 11 5.743 5.265 0.478 1
1 46 . 6 1 1 A 11 11 CYS C C 11 172.654 173.111 -0.457 1
1 47 . 6 1 1 A 11 11 CYS CA C 11 55.546 57.255 -1.709 1
1 48 . 6 1 1 A 11 11 CYS CB C 11 31.333 31.189 0.144 1
1 49 . 6 1 1 A 11 11 CYS N N 11 117.939 123.016 -5.077 1
1 50 . 6 1 1 A 12 12 GLY H H 12 8.479 7.557 0.922 1
1 51 . 6 1 1 A 12 12 GLY HA2 H 12 4.419 3.714 0.705 1
1 52 . 6 1 1 A 12 12 GLY HA3 H 12 2.832 4.082 -1.250 1
1 53 . 6 1 1 A 12 12 GLY C C 12 168.720 171.678 -2.958 1
1 54 . 6 1 1 A 12 12 GLY CA C 12 44.710 44.772 -0.062 1
1 55 . 6 1 1 A 12 12 GLY N N 12 109.046 106.658 2.388 1
1 56 . 6 1 1 A 13 13 PRO HA H 13 5.163 4.439 0.724 1
1 63 . 6 1 1 A 13 13 PRO C C 13 177.501 175.140 2.361 1
1 64 . 6 1 1 A 13 13 PRO CA C 13 62.182 63.194 -1.012 1
1 65 . 6 1 1 A 13 13 PRO CB C 13 32.587 32.043 0.544 1
1 68 . 6 1 1 A 14 14 LEU H H 14 8.630 8.534 0.096 1
1 69 . 6 1 1 A 14 14 LEU HA H 14 4.764 5.039 -0.275 1
1 79 . 6 1 1 A 14 14 LEU C C 14 175.698 174.312 1.386 1
1 80 . 6 1 1 A 14 14 LEU CA C 14 53.975 52.958 1.017 1
1 81 . 6 1 1 A 14 14 LEU CB C 14 48.936 45.906 3.030 1
1 85 . 6 1 1 A 14 14 LEU N N 14 122.246 124.257 -2.011 1
1 86 . 6 1 1 A 15 15 ARG H H 15 8.498 7.834 0.664 1
1 87 . 6 1 1 A 15 15 ARG HA H 15 5.421 5.317 0.104 1
1 95 . 6 1 1 A 15 15 ARG C C 15 174.664 174.887 -0.223 1
1 96 . 6 1 1 A 15 15 ARG CA C 15 54.858 54.432 0.426 1
1 97 . 6 1 1 A 15 15 ARG CB C 15 34.085 33.995 0.090 1
1 100 . 6 1 1 A 15 15 ARG N N 15 118.593 122.588 -3.995 1
1 102 . 6 1 1 A 16 16 LEU H H 16 9.244 8.565 0.679 1
1 103 . 6 1 1 A 16 16 LEU HA H 16 5.662 5.614 0.048 1
1 113 . 6 1 1 A 16 16 LEU C C 16 176.872 174.982 1.890 1
1 114 . 6 1 1 A 16 16 LEU CA C 16 53.746 53.727 0.019 1
1 115 . 6 1 1 A 16 16 LEU CB C 16 47.803 46.461 1.342 1
1 119 . 6 1 1 A 16 16 LEU N N 16 123.893 124.196 -0.303 1
1 120 . 6 1 1 A 17 17 SER H H 17 8.982 8.400 0.582 1
1 121 . 6 1 1 A 17 17 SER HA H 17 4.484 5.239 -0.755 1
1 124 . 6 1 1 A 17 17 SER C C 17 173.790 172.663 1.127 1
1 125 . 6 1 1 A 17 17 SER CA C 17 57.081 56.970 0.111 1
1 126 . 6 1 1 A 17 17 SER CB C 17 64.487 65.428 -0.941 1
1 127 . 6 1 1 A 17 17 SER N N 17 117.455 118.911 -1.456 1
1 128 . 6 1 1 A 18 18 GLU H H 18 9.102 8.771 0.331 1
1 129 . 6 1 1 A 18 18 GLU HA H 18 3.832 4.597 -0.765 1
1 134 . 6 1 1 A 18 18 GLU C C 18 176.185 176.872 -0.687 1
1 135 . 6 1 1 A 18 18 GLU CA C 18 58.793 55.477 3.316 1
1 136 . 6 1 1 A 18 18 GLU CB C 18 30.037 29.921 0.116 1
1 138 . 6 1 1 A 18 18 GLU N N 18 129.354 123.257 6.097 1
1 139 . 6 1 1 A 19 19 SER H H 19 7.792 9.210 -1.418 1
1 140 . 6 1 1 A 19 19 SER HA H 19 4.650 4.277 0.373 1
1 143 . 6 1 1 A 19 19 SER C C 19 175.321 173.872 1.449 1
1 144 . 6 1 1 A 19 19 SER CA C 19 57.699 59.352 -1.653 1
1 145 . 6 1 1 A 19 19 SER CB C 19 65.816 62.277 3.539 1
1 146 . 6 1 1 A 19 19 SER N N 19 108.812 120.679 -11.867 1
1 147 . 6 1 1 A 20 20 GLY H H 20 8.376 8.614 -0.238 1
1 148 . 6 1 1 A 20 20 GLY HA2 H 20 3.931 3.350 0.581 1
1 149 . 6 1 1 A 20 20 GLY HA3 H 20 2.690 3.632 -0.942 1
1 150 . 6 1 1 A 20 20 GLY C C 20 172.644 175.211 -2.567 1
1 151 . 6 1 1 A 20 20 GLY CA C 20 44.746 46.758 -2.012 1
1 152 . 6 1 1 A 20 20 GLY N N 20 111.458 106.270 5.188 1
1 153 . 6 1 1 A 21 21 GLU H H 21 7.522 8.078 -0.556 1
1 154 . 6 1 1 A 21 21 GLU HA H 21 4.274 4.526 -0.252 1
1 159 . 6 1 1 A 21 21 GLU C C 21 176.266 176.151 0.115 1
1 160 . 6 1 1 A 21 21 GLU CA C 21 58.069 56.320 1.749 1
1 161 . 6 1 1 A 21 21 GLU CB C 21 31.024 31.965 -0.941 1
1 163 . 6 1 1 A 21 21 GLU N N 21 119.071 118.651 0.420 1
1 164 . 6 1 1 A 22 22 THR H H 22 7.436 7.309 0.127 1
1 165 . 6 1 1 A 22 22 THR HA H 22 4.618 4.665 -0.047 1
1 170 . 6 1 1 A 22 22 THR C C 22 173.662 171.762 1.900 1
1 171 . 6 1 1 A 22 22 THR CA C 22 60.682 61.377 -0.695 1
1 172 . 6 1 1 A 22 22 THR CB C 22 70.504 71.671 -1.167 1
1 174 . 6 1 1 A 22 22 THR N N 22 111.176 112.604 -1.428 1
1 175 . 6 1 1 A 23 23 TRP H H 23 9.121 9.061 0.060 1
1 176 . 6 1 1 A 23 23 TRP HA H 23 4.983 5.735 -0.752 1
1 185 . 6 1 1 A 23 23 TRP C C 23 175.888 175.792 0.096 1
1 186 . 6 1 1 A 23 23 TRP CA C 23 56.570 56.322 0.248 1
1 187 . 6 1 1 A 23 23 TRP CB C 23 32.176 32.029 0.147 1
1 193 . 6 1 1 A 23 23 TRP N N 23 127.096 129.005 -1.909 1
1 195 . 6 1 1 A 24 24 SER H H 24 9.273 8.483 0.790 1
1 196 . 6 1 1 A 24 24 SER HA H 24 4.948 5.066 -0.118 1
1 199 . 6 1 1 A 24 24 SER C C 24 173.268 172.917 0.351 1
1 200 . 6 1 1 A 24 24 SER CA C 24 57.346 57.598 -0.252 1
1 201 . 6 1 1 A 24 24 SER CB C 24 65.445 66.919 -1.474 1
1 202 . 6 1 1 A 24 24 SER N N 24 118.031 115.176 2.855 1
1 203 . 6 1 1 A 25 25 GLU H H 25 8.990 8.552 0.438 1
1 204 . 6 1 1 A 25 25 GLU HA H 25 4.737 4.872 -0.135 1
1 209 . 6 1 1 A 25 25 GLU C C 25 176.246 176.204 0.042 1
1 210 . 6 1 1 A 25 25 GLU CA C 25 57.170 56.149 1.021 1
1 211 . 6 1 1 A 25 25 GLU CB C 25 30.202 30.613 -0.411 1
1 213 . 6 1 1 A 25 25 GLU N N 25 125.088 123.057 2.031 1
1 214 . 6 1 1 A 26 26 VAL H H 26 9.012 8.807 0.205 1
1 215 . 6 1 1 A 26 26 VAL HA H 26 5.002 5.125 -0.123 1
1 223 . 6 1 1 A 26 26 VAL C C 26 174.304 173.623 0.681 1
1 224 . 6 1 1 A 26 26 VAL CA C 26 58.917 59.215 -0.298 1
1 225 . 6 1 1 A 26 26 VAL CB C 26 35.753 35.782 -0.029 1
1 228 . 6 1 1 A 26 26 VAL N N 26 118.076 117.509 0.567 1
1 229 . 6 1 1 A 27 27 TRP H H 27 8.880 8.581 0.299 1
1 230 . 6 1 1 A 27 27 TRP HA H 27 4.814 5.397 -0.583 1
1 239 . 6 1 1 A 27 27 TRP C C 27 174.255 174.679 -0.424 1
1 240 . 6 1 1 A 27 27 TRP CA C 27 57.117 55.164 1.953 1
1 241 . 6 1 1 A 27 27 TRP CB C 27 30.325 32.210 -1.885 1
1 247 . 6 1 1 A 27 27 TRP N N 27 122.873 125.814 -2.941 1
1 249 . 6 1 1 A 28 28 ALA H H 28 8.482 8.226 0.256 1
1 250 . 6 1 1 A 28 28 ALA HA H 28 5.329 5.370 -0.041 1
1 254 . 6 1 1 A 28 28 ALA C C 28 175.519 176.004 -0.485 1
1 255 . 6 1 1 A 28 28 ALA CA C 28 49.670 50.231 -0.561 1
1 256 . 6 1 1 A 28 28 ALA CB C 28 23.827 21.934 1.893 1
1 257 . 6 1 1 A 28 28 ALA N N 28 133.586 129.669 3.917 1
1 258 . 6 1 1 A 29 29 ALA H H 29 8.948 8.607 0.341 1
1 259 . 6 1 1 A 29 29 ALA HA H 29 5.160 5.336 -0.176 1
1 263 . 6 1 1 A 29 29 ALA C C 29 175.956 175.957 -0.001 1
1 264 . 6 1 1 A 29 29 ALA CA C 29 52.210 51.836 0.374 1
1 265 . 6 1 1 A 29 29 ALA CB C 29 23.697 23.541 0.156 1
1 266 . 6 1 1 A 29 29 ALA N N 29 119.901 123.033 -3.132 1
1 267 . 6 1 1 A 30 30 ILE H H 30 8.245 8.715 -0.470 1
1 268 . 6 1 1 A 30 30 ILE HA H 30 5.313 4.614 0.699 1
1 278 . 6 1 1 A 30 30 ILE C C 30 174.004 174.301 -0.297 1
1 279 . 6 1 1 A 30 30 ILE CA C 30 57.699 57.158 0.541 1
1 280 . 6 1 1 A 30 30 ILE CB C 30 40.565 39.975 0.590 1
1 284 . 6 1 1 A 30 30 ILE N N 30 122.332 120.359 1.973 1
1 285 . 6 1 1 A 31 31 PRO HA H 31 4.655 4.644 0.011 1
1 292 . 6 1 1 A 31 31 PRO C C 31 177.566 177.945 -0.379 1
1 293 . 6 1 1 A 31 31 PRO CA C 31 62.464 62.609 -0.145 1
1 294 . 6 1 1 A 31 31 PRO CB C 31 31.929 31.459 0.470 1
1 297 . 6 1 1 A 32 32 MET H H 32 8.572 8.631 -0.059 1
1 298 . 6 1 1 A 32 32 MET HA H 32 3.997 4.096 -0.099 1
1 306 . 6 1 1 A 32 32 MET C C 32 177.770 178.036 -0.266 1
1 307 . 6 1 1 A 32 32 MET CA C 32 58.158 58.759 -0.601 1
1 308 . 6 1 1 A 32 32 MET CB C 32 31.929 31.975 -0.046 1
1 311 . 6 1 1 A 32 32 MET N N 32 121.580 124.222 -2.642 1
1 312 . 6 1 1 A 33 33 SER H H 33 8.163 8.292 -0.129 1
1 313 . 6 1 1 A 33 33 SER HA H 33 4.213 4.276 -0.063 1
1 316 . 6 1 1 A 33 33 SER C C 33 174.424 174.435 -0.011 1
1 317 . 6 1 1 A 33 33 SER CA C 33 58.864 61.338 -2.474 1
1 318 . 6 1 1 A 33 33 SER CB C 33 63.225 63.044 0.181 1
1 319 . 6 1 1 A 33 33 SER N N 33 109.218 114.198 -4.980 1
1 320 . 6 1 1 A 34 34 ASP H H 34 7.179 7.824 -0.645 1
1 321 . 6 1 1 A 34 34 ASP HA H 34 4.912 5.096 -0.184 1
1 324 . 6 1 1 A 34 34 ASP C C 34 171.847 174.220 -2.373 1
1 325 . 6 1 1 A 34 34 ASP CA C 34 52.581 51.253 1.328 1
1 326 . 6 1 1 A 34 34 ASP CB C 34 41.223 41.387 -0.164 1
1 327 . 6 1 1 A 34 34 ASP N N 34 120.601 120.073 0.528 1
1 328 . 6 1 1 A 35 35 PRO HA H 35 4.510 4.581 -0.071 1
1 335 . 6 1 1 A 35 35 PRO C C 35 175.635 176.037 -0.402 1
1 336 . 6 1 1 A 35 35 PRO CA C 35 64.511 63.953 0.558 1
1 337 . 6 1 1 A 35 35 PRO CB C 35 31.729 32.201 -0.472 1
1 340 . 6 1 1 A 36 36 GLN H H 36 7.982 8.324 -0.342 1
1 341 . 6 1 1 A 36 36 GLN HA H 36 4.472 4.479 -0.007 1
1 348 . 6 1 1 A 36 36 GLN C C 36 174.646 174.846 -0.200 1
1 349 . 6 1 1 A 36 36 GLN CA C 36 55.193 55.907 -0.714 1
1 350 . 6 1 1 A 36 36 GLN CB C 36 29.420 29.664 -0.244 1
1 352 . 6 1 1 A 36 36 GLN N N 36 114.393 118.008 -3.615 1
1 354 . 6 1 1 A 37 37 VAL H H 37 7.878 7.576 0.302 1
1 355 . 6 1 1 A 37 37 VAL HA H 37 4.546 4.996 -0.450 1
1 363 . 6 1 1 A 37 37 VAL C C 37 172.485 172.857 -0.372 1
1 364 . 6 1 1 A 37 37 VAL CA C 37 60.987 60.171 0.816 1
1 365 . 6 1 1 A 37 37 VAL CB C 37 35.218 35.223 -0.005 1
1 368 . 6 1 1 A 37 37 VAL N N 37 120.432 119.535 0.897 1
1 369 . 6 1 1 A 38 38 LEU H H 38 7.992 8.849 -0.857 1
1 370 . 6 1 1 A 38 38 LEU HA H 38 4.770 5.244 -0.474 1
1 380 . 6 1 1 A 38 38 LEU C C 38 175.193 175.359 -0.166 1
1 381 . 6 1 1 A 38 38 LEU CA C 38 53.146 53.150 -0.004 1
1 382 . 6 1 1 A 38 38 LEU CB C 38 45.359 44.599 0.760 1
1 386 . 6 1 1 A 38 38 LEU N N 38 123.585 129.380 -5.795 1
1 387 . 6 1 1 A 39 39 HIS H H 39 9.442 8.948 0.494 1
1 388 . 6 1 1 A 39 39 HIS HA H 39 5.212 5.215 -0.003 1
1 393 . 6 1 1 A 39 39 HIS C C 39 175.351 175.469 -0.118 1
1 394 . 6 1 1 A 39 39 HIS CA C 39 55.211 56.963 -1.752 1
1 395 . 6 1 1 A 39 39 HIS CB C 39 32.669 31.230 1.439 1
1 398 . 6 1 1 A 39 39 HIS N N 39 126.949 126.323 0.626 1
1 399 . 6 1 1 A 40 40 LEU H H 40 8.424 8.670 -0.246 1
1 400 . 6 1 1 A 40 40 LEU HA H 40 5.082 5.018 0.064 1
1 410 . 6 1 1 A 40 40 LEU C C 40 176.050 175.316 0.734 1
1 411 . 6 1 1 A 40 40 LEU CA C 40 53.552 53.534 0.018 1
1 412 . 6 1 1 A 40 40 LEU CB C 40 44.019 46.171 -2.152 1
1 416 . 6 1 1 A 40 40 LEU N N 40 122.395 121.486 0.909 1
1 417 . 6 1 1 A 41 41 GLN H H 41 8.972 8.651 0.321 1
1 418 . 6 1 1 A 41 41 GLN HA H 41 4.723 5.245 -0.522 1
1 425 . 6 1 1 A 41 41 GLN C C 41 175.453 175.774 -0.321 1
1 426 . 6 1 1 A 41 41 GLN CA C 41 54.840 54.600 0.240 1
1 427 . 6 1 1 A 41 41 GLN CB C 41 31.946 30.184 1.762 1
1 429 . 6 1 1 A 41 41 GLN N N 41 121.779 121.713 0.066 1
1 431 . 6 1 1 A 42 42 GLY H H 42 8.739 8.523 0.216 1
1 432 . 6 1 1 A 42 42 GLY HA2 H 42 4.252 4.092 0.160 1
1 433 . 6 1 1 A 42 42 GLY HA3 H 42 4.200 4.115 0.085 1
1 434 . 6 1 1 A 42 42 GLY C C 42 173.938 173.762 0.176 1
1 435 . 6 1 1 A 42 42 GLY CA C 42 44.746 46.120 -1.374 1
1 436 . 6 1 1 A 42 42 GLY N N 42 112.892 110.374 2.518 1
1 437 . 6 1 1 A 43 43 GLY H H 43 8.709 7.520 1.189 1
1 438 . 6 1 1 A 43 43 GLY HA2 H 43 4.110 4.063 0.047 1
1 439 . 6 1 1 A 43 43 GLY HA3 H 43 3.962 4.063 -0.101 1
1 440 . 6 1 1 A 43 43 GLY C C 43 174.713 173.567 1.146 1
1 441 . 6 1 1 A 43 43 GLY CA C 43 45.346 45.728 -0.382 1
1 442 . 6 1 1 A 43 43 GLY N N 43 108.768 104.517 4.251 1
1 443 . 6 1 1 A 44 44 SER H H 44 8.369 8.697 -0.328 1
1 444 . 6 1 1 A 44 44 SER C C 44 175.312 175.975 -0.663 1
1 445 . 6 1 1 A 44 44 SER CA C 44 58.723 59.538 -0.815 1
1 446 . 6 1 1 A 44 44 SER CB C 44 63.924 64.788 -0.864 1
1 447 . 6 1 1 A 44 44 SER N N 44 115.582 115.037 0.545 1
1 448 . 6 1 1 A 45 45 GLN HA H 45 4.346 4.117 0.229 1
1 455 . 6 1 1 A 45 45 GLN C C 45 175.931 175.926 0.005 1
1 456 . 6 1 1 A 45 45 GLN CA C 45 56.358 58.647 -2.289 1
1 457 . 6 1 1 A 45 45 GLN CB C 45 28.392 29.544 -1.152 1
1 460 . 6 1 1 A 46 46 ASP H H 46 8.053 8.066 -0.013 1
1 461 . 6 1 1 A 46 46 ASP HA H 46 4.615 4.456 0.159 1
1 464 . 6 1 1 A 46 46 ASP C C 46 176.998 177.157 -0.159 1
1 465 . 6 1 1 A 46 46 ASP CA C 46 54.188 54.596 -0.408 1
1 466 . 6 1 1 A 46 46 ASP CB C 46 41.099 41.395 -0.296 1
1 467 . 6 1 1 A 46 46 ASP N N 46 119.460 119.296 0.164 1
1 468 . 6 1 1 A 47 47 GLY H H 47 8.311 8.868 -0.557 1
1 469 . 6 1 1 A 47 47 GLY HA2 H 47 3.970 4.031 -0.061 1
1 470 . 6 1 1 A 47 47 GLY HA3 H 47 3.970 4.042 -0.072 1
1 471 . 6 1 1 A 47 47 GLY C C 47 174.725 174.618 0.107 1
1 472 . 6 1 1 A 47 47 GLY CA C 47 45.892 45.033 0.859 1
1 473 . 6 1 1 A 47 47 GLY N N 47 109.753 115.004 -5.251 1
1 474 . 6 1 1 A 48 48 ARG H H 48 8.300 8.448 -0.148 1
1 475 . 6 1 1 A 48 48 ARG HA H 48 4.308 4.078 0.230 1
1 482 . 6 1 1 A 48 48 ARG C C 48 176.347 175.447 0.900 1
1 483 . 6 1 1 A 48 48 ARG CA C 48 56.782 56.940 -0.158 1
1 484 . 6 1 1 A 48 48 ARG CB C 48 30.654 27.839 2.815 1
1 487 . 6 1 1 A 48 48 ARG N N 48 119.526 114.921 4.605 1
1 488 . 6 1 1 A 49 49 LEU H H 49 7.682 8.016 -0.334 1
1 489 . 6 1 1 A 49 49 LEU HA H 49 4.252 4.127 0.125 1
1 499 . 6 1 1 A 49 49 LEU C C 49 174.707 175.193 -0.486 1
1 500 . 6 1 1 A 49 49 LEU CA C 49 53.040 53.370 -0.330 1
1 501 . 6 1 1 A 49 49 LEU CB C 49 41.759 41.314 0.445 1
1 505 . 6 1 1 A 49 49 LEU N N 49 121.049 120.315 0.734 1
1 506 . 6 1 1 A 50 50 PRO HA H 50 4.392 4.701 -0.309 1
1 513 . 6 1 1 A 50 50 PRO C C 50 175.058 177.311 -2.253 1
1 514 . 6 1 1 A 50 50 PRO CA C 50 62.323 62.450 -0.127 1
1 515 . 6 1 1 A 50 50 PRO CB C 50 31.353 31.003 0.350 1
1 518 . 6 1 1 A 51 51 ARG H H 51 8.295 8.513 -0.218 1
1 519 . 6 1 1 A 51 51 ARG HA H 51 4.511 3.982 0.529 1
1 526 . 6 1 1 A 51 51 ARG C C 51 177.443 176.146 1.297 1
1 527 . 6 1 1 A 51 51 ARG CA C 51 56.728 58.648 -1.920 1
1 528 . 6 1 1 A 51 51 ARG CB C 51 31.194 29.702 1.492 1
1 531 . 6 1 1 A 51 51 ARG N N 51 119.201 123.457 -4.256 1
1 532 . 6 1 1 A 52 52 THR H H 52 7.372 8.028 -0.656 1
1 533 . 6 1 1 A 52 52 THR HA H 52 4.963 4.985 -0.022 1
1 538 . 6 1 1 A 52 52 THR C C 52 173.287 172.973 0.314 1
1 539 . 6 1 1 A 52 52 THR CA C 52 59.411 59.886 -0.475 1
1 540 . 6 1 1 A 52 52 THR CB C 52 71.632 71.692 -0.060 1
1 542 . 6 1 1 A 52 52 THR N N 52 109.591 109.320 0.271 1
1 543 . 6 1 1 A 53 53 ILE H H 53 8.742 8.625 0.117 1
1 544 . 6 1 1 A 53 53 ILE HA H 53 3.845 4.520 -0.675 1
1 554 . 6 1 1 A 53 53 ILE C C 53 173.374 174.289 -0.915 1
1 555 . 6 1 1 A 53 53 ILE CA C 53 57.735 57.419 0.316 1
1 556 . 6 1 1 A 53 53 ILE CB C 53 41.196 41.366 -0.170 1
1 560 . 6 1 1 A 53 53 ILE N N 53 123.236 122.639 0.597 1
1 561 . 6 1 1 A 54 54 PRO HA H 54 4.541 4.629 -0.088 1
1 568 . 6 1 1 A 54 54 PRO CA C 54 61.292 62.051 -0.759 1
1 569 . 6 1 1 A 54 54 PRO CB C 54 30.119 29.416 0.703 1
1 572 . 6 1 1 A 55 55 LEU H H 55 8.146 7.982 0.164 1
1 573 . 6 1 1 A 55 55 LEU HA H 55 4.262 3.838 0.424 1
1 583 . 6 1 1 A 55 55 LEU CA C 55 58.660 59.307 -0.647 1
1 584 . 6 1 1 A 55 55 LEU CB C 55 39.660 39.651 0.009 1
1 588 . 6 1 1 A 55 55 LEU N N 55 127.224 123.980 3.244 1
1 589 . 6 1 1 A 56 56 PRO HA H 56 4.630 4.317 0.313 1
1 596 . 6 1 1 A 56 56 PRO C C 56 177.498 177.142 0.356 1
1 597 . 6 1 1 A 56 56 PRO CA C 56 65.782 66.207 -0.425 1
1 598 . 6 1 1 A 56 56 PRO CB C 56 31.188 30.808 0.380 1
1 601 . 6 1 1 A 57 57 SER H H 57 7.722 8.401 -0.679 1
1 602 . 6 1 1 A 57 57 SER HA H 57 4.723 4.699 0.024 1
1 605 . 6 1 1 A 57 57 SER C C 57 174.102 172.738 1.364 1
1 606 . 6 1 1 A 57 57 SER CA C 57 58.423 57.827 0.596 1
1 607 . 6 1 1 A 57 57 SER CB C 57 63.924 63.814 0.110 1
1 608 . 6 1 1 A 57 57 SER N N 57 110.169 111.457 -1.288 1
1 609 . 6 1 1 A 58 58 CYS H H 58 8.002 8.043 -0.041 1
1 610 . 6 1 1 A 58 58 CYS HA H 58 5.282 5.246 0.036 1
1 613 . 6 1 1 A 58 58 CYS C C 58 174.525 173.339 1.186 1
1 614 . 6 1 1 A 58 58 CYS CA C 58 59.447 57.307 2.140 1
1 615 . 6 1 1 A 58 58 CYS CB C 58 29.594 31.571 -1.977 1
1 616 . 6 1 1 A 58 58 CYS N N 58 118.902 121.160 -2.258 1
1 617 . 6 1 1 A 59 59 LYS H H 59 9.242 8.464 0.778 1
1 618 . 6 1 1 A 59 59 LYS HA H 59 4.777 4.921 -0.144 1
1 627 . 6 1 1 A 59 59 LYS C C 59 175.947 175.416 0.531 1
1 628 . 6 1 1 A 59 59 LYS CA C 59 55.299 55.121 0.178 1
1 629 . 6 1 1 A 59 59 LYS CB C 59 34.561 34.394 0.167 1
1 633 . 6 1 1 A 59 59 LYS N N 59 122.306 124.888 -2.582 1
1 634 . 6 1 1 A 60 60 LEU H H 60 9.030 9.080 -0.050 1
1 635 . 6 1 1 A 60 60 LEU HA H 60 5.543 5.033 0.510 1
1 645 . 6 1 1 A 60 60 LEU C C 60 176.239 175.799 0.440 1
1 646 . 6 1 1 A 60 60 LEU CA C 60 53.958 53.828 0.130 1
1 647 . 6 1 1 A 60 60 LEU CB C 60 44.454 42.066 2.388 1
1 651 . 6 1 1 A 60 60 LEU N N 60 129.520 125.873 3.647 1
1 652 . 6 1 1 A 61 61 SER H H 61 9.077 8.880 0.197 1
1 653 . 6 1 1 A 61 61 SER HA H 61 4.832 5.079 -0.247 1
1 656 . 6 1 1 A 61 61 SER C C 61 172.173 172.849 -0.676 1
1 657 . 6 1 1 A 61 61 SER CA C 61 57.558 57.684 -0.126 1
1 658 . 6 1 1 A 61 61 SER CB C 61 65.692 65.926 -0.234 1
1 659 . 6 1 1 A 61 61 SER N N 61 117.374 122.914 -5.540 1
1 660 . 6 1 1 A 62 62 VAL H H 62 8.784 8.852 -0.068 1
1 661 . 6 1 1 A 62 62 VAL HA H 62 4.927 4.626 0.301 1
1 669 . 6 1 1 A 62 62 VAL C C 62 174.367 174.664 -0.297 1
1 670 . 6 1 1 A 62 62 VAL CA C 62 59.782 60.601 -0.819 1
1 671 . 6 1 1 A 62 62 VAL CB C 62 33.518 32.222 1.296 1
1 674 . 6 1 1 A 62 62 VAL N N 62 119.929 126.714 -6.785 1
1 675 . 6 1 1 A 63 63 PRO HA H 63 4.495 4.595 -0.100 1
1 682 . 6 1 1 A 63 63 PRO CA C 63 62.526 62.542 -0.016 1
1 683 . 6 1 1 A 63 63 PRO CB C 63 32.504 32.346 0.158 1
1 686 . 6 1 1 A 64 64 ASP H H 64 8.762 8.495 0.267 1
1 687 . 6 1 1 A 64 64 ASP HA H 64 4.780 4.731 0.049 1
1 690 . 6 1 1 A 64 64 ASP CA C 64 53.231 52.956 0.275 1
1 691 . 6 1 1 A 64 64 ASP CB C 64 41.105 40.103 1.002 1
1 692 . 6 1 1 A 64 64 ASP N N 64 123.527 121.565 1.962 1
1 693 . 6 1 1 A 65 65 PRO HA H 65 4.371 4.407 -0.036 1
1 700 . 6 1 1 A 65 65 PRO C C 65 178.309 178.630 -0.321 1
1 701 . 6 1 1 A 65 65 PRO CA C 65 64.829 64.837 -0.008 1
1 702 . 6 1 1 A 65 65 PRO CB C 65 32.136 32.103 0.033 1
1 705 . 6 1 1 A 66 66 GLU H H 66 8.890 8.513 0.377 1
1 706 . 6 1 1 A 66 66 GLU HA H 66 4.129 4.067 0.062 1
1 711 . 6 1 1 A 66 66 GLU C C 66 177.222 179.670 -2.448 1
1 712 . 6 1 1 A 66 66 GLU CA C 66 57.805 59.791 -1.986 1
1 713 . 6 1 1 A 66 66 GLU CB C 66 29.334 29.112 0.222 1
1 715 . 6 1 1 A 66 66 GLU N N 66 117.225 117.623 -0.398 1
1 716 . 6 1 1 A 67 67 GLU H H 67 7.971 7.995 -0.024 1
1 717 . 6 1 1 A 67 67 GLU HA H 67 4.136 4.009 0.127 1
1 722 . 6 1 1 A 67 67 GLU C C 67 176.058 176.676 -0.618 1
1 723 . 6 1 1 A 67 67 GLU CA C 67 57.328 59.547 -2.219 1
1 724 . 6 1 1 A 67 67 GLU CB C 67 29.594 29.008 0.586 1
1 726 . 6 1 1 A 67 67 GLU N N 67 119.516 120.200 -0.684 1
1 727 . 6 1 1 A 68 68 ARG H H 68 8.020 8.097 -0.077 1
1 728 . 6 1 1 A 68 68 ARG HA H 68 4.043 3.965 0.078 1
1 735 . 6 1 1 A 68 68 ARG C C 68 175.591 175.389 0.202 1
1 736 . 6 1 1 A 68 68 ARG CA C 68 56.075 56.892 -0.817 1
1 737 . 6 1 1 A 68 68 ARG CB C 68 28.927 27.884 1.043 1
1 740 . 6 1 1 A 68 68 ARG N N 68 118.917 118.163 0.754 1
1 741 . 6 1 1 A 69 69 LEU H H 69 8.188 7.868 0.320 1
1 742 . 6 1 1 A 69 69 LEU HA H 69 4.372 4.327 0.045 1
1 752 . 6 1 1 A 69 69 LEU C C 69 176.013 178.115 -2.102 1
1 753 . 6 1 1 A 69 69 LEU CA C 69 54.682 55.224 -0.542 1
1 754 . 6 1 1 A 69 69 LEU CB C 69 43.238 42.736 0.502 1
1 758 . 6 1 1 A 69 69 LEU N N 69 122.935 121.156 1.779 1
1 759 . 6 1 1 A 70 70 ASP H H 70 8.382 9.034 -0.652 1
1 760 . 6 1 1 A 70 70 ASP HA H 70 4.123 4.144 -0.021 1
1 763 . 6 1 1 A 70 70 ASP C C 70 175.200 176.572 -1.372 1
1 764 . 6 1 1 A 70 70 ASP CA C 70 54.558 57.615 -3.057 1
1 765 . 6 1 1 A 70 70 ASP CB C 70 40.634 40.323 0.311 1
1 766 . 6 1 1 A 70 70 ASP N N 70 119.400 121.353 -1.953 1
1 767 . 6 1 1 A 71 71 SER H H 71 7.391 7.489 -0.098 1
1 768 . 6 1 1 A 71 71 SER HA H 71 4.233 4.445 -0.212 1
1 771 . 6 1 1 A 71 71 SER C C 71 174.294 174.546 -0.252 1
1 772 . 6 1 1 A 71 71 SER CA C 71 58.017 56.842 1.175 1
1 773 . 6 1 1 A 71 71 SER CB C 71 63.430 65.679 -2.249 1
1 774 . 6 1 1 A 71 71 SER N N 71 114.807 111.967 2.840 1
1 775 . 6 1 1 A 72 72 GLY H H 72 7.981 8.427 -0.446 1
1 776 . 6 1 1 A 72 72 GLY HA2 H 72 3.702 3.654 0.048 1
1 777 . 6 1 1 A 72 72 GLY HA3 H 72 3.610 3.755 -0.145 1
1 778 . 6 1 1 A 72 72 GLY C C 72 172.912 173.619 -0.707 1
1 779 . 6 1 1 A 72 72 GLY CA C 72 44.675 45.848 -1.173 1
1 780 . 6 1 1 A 72 72 GLY N N 72 108.675 109.259 -0.584 1
1 781 . 6 1 1 A 73 73 HIS H H 73 8.462 8.023 0.439 1
1 782 . 6 1 1 A 73 73 HIS HA H 73 4.859 5.250 -0.391 1
1 787 . 6 1 1 A 73 73 HIS C C 73 174.804 173.814 0.990 1
1 788 . 6 1 1 A 73 73 HIS CA C 73 54.700 54.314 0.386 1
1 789 . 6 1 1 A 73 73 HIS CB C 73 28.762 31.451 -2.689 1
1 792 . 6 1 1 A 73 73 HIS N N 73 122.843 118.126 4.717 1
1 793 . 6 1 1 A 74 74 VAL H H 74 7.682 8.833 -1.151 1
1 794 . 6 1 1 A 74 74 VAL HA H 74 5.402 4.798 0.604 1
1 802 . 6 1 1 A 74 74 VAL C C 74 176.121 173.796 2.325 1
1 803 . 6 1 1 A 74 74 VAL CA C 74 61.246 60.131 1.115 1
1 804 . 6 1 1 A 74 74 VAL CB C 74 35.383 35.464 -0.081 1
1 807 . 6 1 1 A 74 74 VAL N N 74 120.824 121.745 -0.921 1
1 808 . 6 1 1 A 75 75 TRP H H 75 9.581 8.316 1.265 1
1 809 . 6 1 1 A 75 75 TRP HA H 75 5.342 5.973 -0.631 1
1 818 . 6 1 1 A 75 75 TRP C C 75 171.123 173.875 -2.752 1
1 819 . 6 1 1 A 75 75 TRP CA C 75 57.046 54.571 2.475 1
1 820 . 6 1 1 A 75 75 TRP CB C 75 32.834 33.207 -0.373 1
1 826 . 6 1 1 A 75 75 TRP N N 75 124.656 125.975 -1.319 1
1 828 . 6 1 1 A 76 76 LYS H H 76 9.557 9.412 0.145 1
1 829 . 6 1 1 A 76 76 LYS HA H 76 5.192 5.041 0.151 1
1 838 . 6 1 1 A 76 76 LYS C C 76 174.801 175.008 -0.207 1
1 839 . 6 1 1 A 76 76 LYS CA C 76 54.876 54.918 -0.042 1
1 840 . 6 1 1 A 76 76 LYS CB C 76 36.740 34.697 2.043 1
1 844 . 6 1 1 A 76 76 LYS N N 76 121.724 121.354 0.370 1
1 845 . 6 1 1 A 77 77 LEU H H 77 8.957 8.507 0.450 1
1 846 . 6 1 1 A 77 77 LEU HA H 77 5.272 5.142 0.130 1
1 856 . 6 1 1 A 77 77 LEU C C 77 174.927 175.058 -0.131 1
1 857 . 6 1 1 A 77 77 LEU CA C 77 54.046 54.281 -0.235 1
1 858 . 6 1 1 A 77 77 LEU CB C 77 46.281 44.699 1.582 1
1 862 . 6 1 1 A 77 77 LEU N N 77 124.578 125.690 -1.112 1
1 863 . 6 1 1 A 78 78 GLN H H 78 8.629 9.122 -0.493 1
1 864 . 6 1 1 A 78 78 GLN HA H 78 5.308 5.449 -0.141 1
1 871 . 6 1 1 A 78 78 GLN C C 78 174.564 174.745 -0.181 1
1 872 . 6 1 1 A 78 78 GLN CA C 78 54.452 54.418 0.034 1
1 873 . 6 1 1 A 78 78 GLN CB C 78 32.833 31.272 1.561 1
1 875 . 6 1 1 A 78 78 GLN N N 78 121.344 125.123 -3.779 1
1 877 . 6 1 1 A 79 79 TRP H H 79 8.601 8.152 0.449 1
1 878 . 6 1 1 A 79 79 TRP HA H 79 5.003 4.977 0.026 1
1 887 . 6 1 1 A 79 79 TRP C C 79 173.001 174.049 -1.048 1
1 888 . 6 1 1 A 79 79 TRP CA C 79 56.323 56.738 -0.415 1
1 889 . 6 1 1 A 79 79 TRP CB C 79 32.258 31.502 0.756 1
1 895 . 6 1 1 A 79 79 TRP N N 79 128.274 123.846 4.428 1
1 897 . 6 1 1 A 80 80 ALA H H 80 9.181 9.328 -0.147 1
1 898 . 6 1 1 A 80 80 ALA HA H 80 3.933 3.914 0.019 1
1 902 . 6 1 1 A 80 80 ALA C C 80 177.360 176.310 1.050 1
1 903 . 6 1 1 A 80 80 ALA CA C 80 54.222 53.240 0.982 1
1 904 . 6 1 1 A 80 80 ALA CB C 80 17.329 17.185 0.144 1
1 905 . 6 1 1 A 80 80 ALA N N 80 126.348 121.649 4.699 1
1 906 . 6 1 1 A 81 81 LYS H H 81 8.163 8.372 -0.209 1
1 907 . 6 1 1 A 81 81 LYS HA H 81 4.290 3.662 0.628 1
1 916 . 6 1 1 A 81 81 LYS C C 81 176.068 174.562 1.506 1
1 917 . 6 1 1 A 81 81 LYS CA C 81 56.305 57.367 -1.062 1
1 918 . 6 1 1 A 81 81 LYS CB C 81 31.312 29.364 1.948 1
1 922 . 6 1 1 A 81 81 LYS N N 81 120.289 107.399 12.890 1
1 923 . 6 1 1 A 82 82 GLN H H 82 8.423 7.605 0.818 1
1 924 . 6 1 1 A 82 82 GLN HA H 82 4.255 4.688 -0.433 1
1 931 . 6 1 1 A 82 82 GLN C C 82 174.996 174.074 0.922 1
1 932 . 6 1 1 A 82 82 GLN CA C 82 54.805 53.712 1.093 1
1 933 . 6 1 1 A 82 82 GLN CB C 82 30.942 32.076 -1.134 1
1 935 . 6 1 1 A 82 82 GLN N N 82 119.918 116.380 3.538 1
1 937 . 6 1 1 A 83 83 SER H H 83 7.683 8.169 -0.486 1
1 938 . 6 1 1 A 83 83 SER HA H 83 4.991 5.421 -0.430 1
1 941 . 6 1 1 A 83 83 SER C C 83 171.947 172.348 -0.401 1
1 942 . 6 1 1 A 83 83 SER CA C 83 57.629 57.535 0.094 1
1 943 . 6 1 1 A 83 83 SER CB C 83 64.664 65.418 -0.754 1
1 944 . 6 1 1 A 83 83 SER N N 83 115.649 112.553 3.096 1
1 945 . 6 1 1 A 84 84 TRP H H 84 8.665 8.900 -0.235 1
1 946 . 6 1 1 A 84 84 TRP HA H 84 4.714 5.059 -0.345 1
1 955 . 6 1 1 A 84 84 TRP C C 84 174.105 174.768 -0.663 1
1 956 . 6 1 1 A 84 84 TRP CA C 84 56.834 56.093 0.741 1
1 957 . 6 1 1 A 84 84 TRP CB C 84 33.368 33.526 -0.158 1
1 963 . 6 1 1 A 84 84 TRP N N 84 122.334 124.305 -1.971 1
1 965 . 6 1 1 A 85 85 TYR H H 85 9.220 8.818 0.402 1
1 966 . 6 1 1 A 85 85 TYR HA H 85 5.209 5.154 0.055 1
1 973 . 6 1 1 A 85 85 TYR C C 85 175.136 174.880 0.256 1
1 974 . 6 1 1 A 85 85 TYR CA C 85 56.993 56.575 0.418 1
1 975 . 6 1 1 A 85 85 TYR CB C 85 41.058 40.155 0.903 1
1 980 . 6 1 1 A 85 85 TYR N N 85 117.934 121.070 -3.136 1
1 981 . 6 1 1 A 86 86 LEU H H 86 8.662 8.753 -0.091 1
1 982 . 6 1 1 A 86 86 LEU HA H 86 5.172 4.624 0.548 1
1 992 . 6 1 1 A 86 86 LEU C C 86 174.454 174.383 0.071 1
1 993 . 6 1 1 A 86 86 LEU CA C 86 53.587 53.219 0.368 1
1 994 . 6 1 1 A 86 86 LEU CB C 86 43.773 41.667 2.106 1
1 998 . 6 1 1 A 86 86 LEU N N 86 121.945 124.712 -2.767 1
1 999 . 6 1 1 A 87 87 SER H H 87 8.642 8.339 0.303 1
1 1000 . 6 1 1 A 87 87 SER HA H 87 4.995 5.134 -0.139 1
1 1003 . 6 1 1 A 87 87 SER C C 87 173.683 173.529 0.154 1
1 1004 . 6 1 1 A 87 87 SER CA C 87 55.052 57.231 -2.179 1
1 1005 . 6 1 1 A 87 87 SER CB C 87 65.487 64.027 1.460 1
1 1006 . 6 1 1 A 87 87 SER N N 87 111.719 121.532 -9.813 1
1 1007 . 6 1 1 A 88 88 ALA H H 88 8.472 8.671 -0.199 1
1 1008 . 6 1 1 A 88 88 ALA HA H 88 5.184 4.748 0.436 1
1 1012 . 6 1 1 A 88 88 ALA C C 88 178.012 178.049 -0.037 1
1 1013 . 6 1 1 A 88 88 ALA CA C 88 49.423 50.116 -0.693 1
1 1014 . 6 1 1 A 88 88 ALA CB C 88 22.919 22.007 0.912 1
1 1015 . 6 1 1 A 88 88 ALA N N 88 126.939 128.873 -1.934 1
1 1016 . 6 1 1 A 89 89 SER H H 89 8.182 8.795 -0.613 1
1 1017 . 6 1 1 A 89 89 SER HA H 89 4.274 4.232 0.042 1
1 1020 . 6 1 1 A 89 89 SER C C 89 174.039 173.946 0.093 1
1 1021 . 6 1 1 A 89 89 SER CA C 89 60.135 61.120 -0.985 1
1 1022 . 6 1 1 A 89 89 SER CB C 89 63.571 63.113 0.458 1
1 1023 . 6 1 1 A 89 89 SER N N 89 111.359 116.692 -5.333 1
1 1024 . 6 1 1 A 90 90 SER H H 90 7.392 7.744 -0.352 1
1 1025 . 6 1 1 A 90 90 SER HA H 90 4.383 4.187 0.196 1
1 1028 . 6 1 1 A 90 90 SER C C 90 173.114 173.894 -0.780 1
1 1029 . 6 1 1 A 90 90 SER CA C 90 56.023 56.921 -0.898 1
1 1030 . 6 1 1 A 90 90 SER CB C 90 67.108 65.302 1.806 1
1 1031 . 6 1 1 A 90 90 SER N N 90 113.112 109.889 3.223 1
1 1032 . 6 1 1 A 91 91 ALA H H 91 8.532 7.655 0.877 1
1 1033 . 6 1 1 A 91 91 ALA HA H 91 3.763 3.955 -0.192 1
1 1037 . 6 1 1 A 91 91 ALA C C 91 179.816 179.572 0.244 1
1 1038 . 6 1 1 A 91 91 ALA CA C 91 54.699 55.523 -0.824 1
1 1039 . 6 1 1 A 91 91 ALA CB C 91 18.111 18.168 -0.057 1
1 1040 . 6 1 1 A 91 91 ALA N N 91 123.767 124.305 -0.538 1
1 1041 . 6 1 1 A 92 92 GLU H H 92 8.766 8.057 0.709 1
1 1042 . 6 1 1 A 92 92 GLU HA H 92 3.942 3.929 0.013 1
1 1047 . 6 1 1 A 92 92 GLU C C 92 179.568 179.214 0.354 1
1 1048 . 6 1 1 A 92 92 GLU CA C 92 60.206 59.432 0.774 1
1 1049 . 6 1 1 A 92 92 GLU CB C 92 28.721 29.093 -0.372 1
1 1051 . 6 1 1 A 92 92 GLU N N 92 118.712 118.522 0.190 1
1 1052 . 6 1 1 A 93 93 LEU H H 93 7.852 7.859 -0.007 1
1 1053 . 6 1 1 A 93 93 LEU HA H 93 4.274 4.155 0.119 1
1 1063 . 6 1 1 A 93 93 LEU C C 93 178.805 178.639 0.166 1
1 1064 . 6 1 1 A 93 93 LEU CA C 93 57.382 57.224 0.158 1
1 1065 . 6 1 1 A 93 93 LEU CB C 93 43.115 41.279 1.836 1
1 1069 . 6 1 1 A 93 93 LEU N N 93 121.212 121.391 -0.179 1
1 1070 . 6 1 1 A 94 94 GLN H H 94 8.080 8.529 -0.449 1
1 1071 . 6 1 1 A 94 94 GLN HA H 94 3.843 4.320 -0.477 1
1 1078 . 6 1 1 A 94 94 GLN C C 94 176.960 178.122 -1.162 1
1 1079 . 6 1 1 A 94 94 GLN CA C 94 59.694 59.048 0.646 1
1 1080 . 6 1 1 A 94 94 GLN CB C 94 28.063 28.848 -0.785 1
1 1082 . 6 1 1 A 94 94 GLN N N 94 120.439 119.251 1.188 1
1 1084 . 6 1 1 A 95 95 GLN H H 95 8.293 8.050 0.243 1
1 1085 . 6 1 1 A 95 95 GLN HA H 95 3.779 4.085 -0.306 1
1 1092 . 6 1 1 A 95 95 GLN C C 95 177.938 178.465 -0.527 1
1 1093 . 6 1 1 A 95 95 GLN CA C 95 59.005 58.840 0.165 1
1 1094 . 6 1 1 A 95 95 GLN CB C 95 27.610 28.565 -0.955 1
1 1096 . 6 1 1 A 95 95 GLN N N 95 117.408 118.667 -1.259 1
1 1098 . 6 1 1 A 96 96 GLN H H 96 7.731 7.950 -0.219 1
1 1099 . 6 1 1 A 96 96 GLN HA H 96 3.966 3.998 -0.032 1
1 1106 . 6 1 1 A 96 96 GLN C C 96 179.685 177.550 2.135 1
1 1107 . 6 1 1 A 96 96 GLN CA C 96 58.987 58.026 0.961 1
1 1108 . 6 1 1 A 96 96 GLN CB C 96 28.433 27.982 0.451 1
1 1110 . 6 1 1 A 96 96 GLN N N 96 119.621 117.065 2.556 1
1 1112 . 6 1 1 A 97 97 TRP H H 97 8.410 7.273 1.137 1
1 1113 . 6 1 1 A 97 97 TRP HA H 97 3.792 4.395 -0.603 1
1 1122 . 6 1 1 A 97 97 TRP C C 97 178.515 178.831 -0.316 1
1 1123 . 6 1 1 A 97 97 TRP CA C 97 61.670 59.640 2.030 1
1 1124 . 6 1 1 A 97 97 TRP CB C 97 29.972 30.105 -0.133 1
1 1130 . 6 1 1 A 97 97 TRP N N 97 121.370 119.953 1.417 1
1 1132 . 6 1 1 A 98 98 LEU H H 98 8.505 8.272 0.233 1
1 1133 . 6 1 1 A 98 98 LEU HA H 98 3.485 3.560 -0.075 1
1 1143 . 6 1 1 A 98 98 LEU C C 98 180.194 179.130 1.064 1
1 1144 . 6 1 1 A 98 98 LEU CA C 98 58.706 57.682 1.024 1
1 1145 . 6 1 1 A 98 98 LEU CB C 98 41.141 41.156 -0.015 1
1 1149 . 6 1 1 A 98 98 LEU N N 98 119.038 119.883 -0.845 1
1 1150 . 6 1 1 A 99 99 GLU H H 99 8.241 8.429 -0.188 1
1 1151 . 6 1 1 A 99 99 GLU HA H 99 3.927 4.176 -0.249 1
1 1156 . 6 1 1 A 99 99 GLU C C 99 179.082 179.294 -0.212 1
1 1157 . 6 1 1 A 99 99 GLU CA C 99 59.587 59.174 0.413 1
1 1158 . 6 1 1 A 99 99 GLU CB C 99 29.296 29.543 -0.247 1
1 1160 . 6 1 1 A 99 99 GLU N N 99 119.886 119.929 -0.043 1
1 1161 . 6 1 1 A 100 100 THR H H 100 7.780 7.770 0.010 1
1 1162 . 6 1 1 A 100 100 THR HA H 100 3.862 3.984 -0.122 1
1 1167 . 6 1 1 A 100 100 THR C C 100 176.899 176.756 0.143 1
1 1168 . 6 1 1 A 100 100 THR CA C 100 67.088 67.283 -0.195 1
1 1169 . 6 1 1 A 100 100 THR CB C 100 68.178 68.234 -0.056 1
1 1171 . 6 1 1 A 100 100 THR N N 100 116.913 115.760 1.153 1
1 1172 . 6 1 1 A 101 101 LEU H H 101 9.159 8.303 0.856 1
1 1173 . 6 1 1 A 101 101 LEU HA H 101 3.993 3.940 0.053 1
1 1183 . 6 1 1 A 101 101 LEU C C 101 178.416 178.812 -0.396 1
1 1184 . 6 1 1 A 101 101 LEU CA C 101 58.017 57.939 0.078 1
1 1185 . 6 1 1 A 101 101 LEU CB C 101 42.004 41.885 0.119 1
1 1189 . 6 1 1 A 101 101 LEU N N 101 121.065 121.103 -0.038 1
1 1190 . 6 1 1 A 102 102 SER H H 102 7.978 8.550 -0.572 1
1 1191 . 6 1 1 A 102 102 SER HA H 102 4.094 4.201 -0.107 1
1 1194 . 6 1 1 A 102 102 SER C C 102 176.370 177.276 -0.906 1
1 1195 . 6 1 1 A 102 102 SER CA C 102 61.794 61.461 0.333 1
1 1196 . 6 1 1 A 102 102 SER CB C 102 62.855 61.883 0.972 1
1 1197 . 6 1 1 A 102 102 SER N N 102 112.923 112.577 0.346 1
1 1198 . 6 1 1 A 103 103 THR H H 103 7.683 8.368 -0.685 1
1 1199 . 6 1 1 A 103 103 THR HA H 103 4.020 3.895 0.125 1
1 1204 . 6 1 1 A 103 103 THR C C 103 176.061 177.039 -0.978 1
1 1205 . 6 1 1 A 103 103 THR CA C 103 65.412 66.563 -1.151 1
1 1206 . 6 1 1 A 103 103 THR CB C 103 68.918 68.591 0.327 1
1 1208 . 6 1 1 A 103 103 THR N N 103 116.420 116.390 0.030 1
1 1209 . 6 1 1 A 104 104 ALA H H 104 7.760 7.790 -0.030 1
1 1210 . 6 1 1 A 104 104 ALA HA H 104 4.272 4.167 0.105 1
1 1214 . 6 1 1 A 104 104 ALA C C 104 178.160 178.446 -0.286 1
1 1215 . 6 1 1 A 104 104 ALA CA C 104 54.011 54.310 -0.299 1
1 1216 . 6 1 1 A 104 104 ALA CB C 104 20.155 18.262 1.893 1
1 1217 . 6 1 1 A 104 104 ALA N N 104 123.981 123.836 0.145 1
1 1218 . 6 1 1 A 105 105 ALA H H 105 7.824 8.059 -0.235 1
1 1219 . 6 1 1 A 105 105 ALA HA H 105 4.092 4.489 -0.397 1
1 1223 . 6 1 1 A 105 105 ALA C C 105 177.657 177.081 0.576 1
1 1224 . 6 1 1 A 105 105 ALA CA C 105 53.058 51.339 1.719 1
1 1225 . 6 1 1 A 105 105 ALA CB C 105 19.067 18.659 0.408 1
1 1226 . 6 1 1 A 105 105 ALA N N 105 118.227 118.462 -0.235 1
1 1227 . 6 1 1 A 106 106 HIS H H 106 7.675 7.409 0.266 1
1 1228 . 6 1 1 A 106 106 HIS HA H 106 4.703 4.540 0.163 1
1 1233 . 6 1 1 A 106 106 HIS C C 106 175.296 174.866 0.430 1
1 1234 . 6 1 1 A 106 106 HIS CA C 106 56.287 55.670 0.617 1
1 1235 . 6 1 1 A 106 106 HIS CB C 106 30.407 29.581 0.826 1
1 1238 . 6 1 1 A 106 106 HIS N N 106 115.860 116.566 -0.706 1
1 1239 . 6 1 1 A 107 107 SER H H 107 8.015 8.685 -0.670 1
1 1240 . 6 1 1 A 107 107 SER HA H 107 4.560 4.463 0.097 1
1 1243 . 6 1 1 A 107 107 SER C C 107 174.345 174.774 -0.429 1
1 1244 . 6 1 1 A 107 107 SER CA C 107 58.546 59.024 -0.478 1
1 1245 . 6 1 1 A 107 107 SER CB C 107 64.130 62.498 1.632 1
1 1246 . 6 1 1 A 107 107 SER N N 107 116.310 121.254 -4.944 1
1 1247 . 6 1 1 A 108 108 GLY H H 108 8.282 7.965 0.317 1
1 1248 . 6 1 1 A 108 108 GLY HA2 H 108 4.213 4.094 0.119 1
1 1249 . 6 1 1 A 108 108 GLY HA3 H 108 4.042 4.113 -0.071 1
1 1250 . 6 1 1 A 108 108 GLY C C 108 171.750 174.204 -2.454 1
1 1251 . 6 1 1 A 108 108 GLY CA C 108 44.640 45.110 -0.470 1
1 1252 . 6 1 1 A 108 108 GLY N N 108 110.511 114.061 -3.550 1
1 1253 . 6 1 1 A 109 109 PRO HA H 109 4.497 4.441 0.056 1
1 1260 . 6 1 1 A 109 109 PRO C C 109 177.419 176.401 1.018 1
1 1261 . 6 1 1 A 109 109 PRO CA C 109 63.241 64.860 -1.619 1
1 1262 . 6 1 1 A 109 109 PRO CB C 109 32.264 31.872 0.392 1
1 1265 . 6 1 1 A 110 110 SER H H 110 8.558 7.568 0.990 1
1 1266 . 6 1 1 A 110 110 SER C C 110 174.715 173.159 1.556 1
1 1267 . 6 1 1 A 110 110 SER CA C 110 58.335 56.409 1.926 1
1 1268 . 6 1 1 A 110 110 SER CB C 110 63.759 65.399 -1.640 1
1 1269 . 6 1 1 A 110 110 SER N N 110 116.470 111.494 4.976 1
1 1270 . 6 1 1 A 111 111 SER H H 111 8.357 8.516 -0.159 1
1 1271 . 6 1 1 A 111 111 SER C C 111 173.931 174.153 -0.222 1
1 1272 . 6 1 1 A 111 111 SER CA C 111 58.335 58.137 0.198 1
1 1 . 7 1 1 A 8 8 SER HA H 8 5.012 5.027 -0.015 1
1 4 . 7 1 1 A 8 8 SER CA C 8 58.166 57.365 0.801 1
1 5 . 7 1 1 A 8 8 SER CB C 8 64.582 67.036 -2.454 1
1 6 . 7 1 1 A 9 9 LEU H H 9 9.253 7.877 1.376 1
1 7 . 7 1 1 A 9 9 LEU HA H 9 4.091 4.007 0.084 1
1 17 . 7 1 1 A 9 9 LEU C C 9 176.799 176.771 0.028 1
1 18 . 7 1 1 A 9 9 LEU CA C 9 57.523 57.861 -0.338 1
1 19 . 7 1 1 A 9 9 LEU CB C 9 42.703 42.196 0.507 1
1 23 . 7 1 1 A 9 9 LEU N N 9 127.432 126.067 1.365 1
1 24 . 7 1 1 A 10 10 LEU H H 10 6.827 7.892 -1.065 1
1 25 . 7 1 1 A 10 10 LEU HA H 10 4.201 4.622 -0.421 1
1 35 . 7 1 1 A 10 10 LEU C C 10 173.779 174.787 -1.008 1
1 36 . 7 1 1 A 10 10 LEU CA C 10 54.399 54.040 0.359 1
1 37 . 7 1 1 A 10 10 LEU CB C 10 45.006 45.362 -0.356 1
1 41 . 7 1 1 A 10 10 LEU N N 10 116.105 117.736 -1.631 1
1 42 . 7 1 1 A 11 11 CYS H H 11 7.989 8.913 -0.924 1
1 43 . 7 1 1 A 11 11 CYS HA H 11 5.743 5.378 0.365 1
1 46 . 7 1 1 A 11 11 CYS C C 11 172.654 173.372 -0.718 1
1 47 . 7 1 1 A 11 11 CYS CA C 11 55.546 57.324 -1.778 1
1 48 . 7 1 1 A 11 11 CYS CB C 11 31.333 31.469 -0.136 1
1 49 . 7 1 1 A 11 11 CYS N N 11 117.939 123.591 -5.652 1
1 50 . 7 1 1 A 12 12 GLY H H 12 8.479 7.396 1.083 1
1 51 . 7 1 1 A 12 12 GLY HA2 H 12 4.419 3.818 0.601 1
1 52 . 7 1 1 A 12 12 GLY HA3 H 12 2.832 4.140 -1.308 1
1 53 . 7 1 1 A 12 12 GLY C C 12 168.720 172.063 -3.343 1
1 54 . 7 1 1 A 12 12 GLY CA C 12 44.710 44.496 0.214 1
1 55 . 7 1 1 A 12 12 GLY N N 12 109.046 106.698 2.348 1
1 56 . 7 1 1 A 13 13 PRO HA H 13 5.163 4.844 0.319 1
1 63 . 7 1 1 A 13 13 PRO C C 13 177.501 175.147 2.354 1
1 64 . 7 1 1 A 13 13 PRO CA C 13 62.182 62.638 -0.456 1
1 65 . 7 1 1 A 13 13 PRO CB C 13 32.587 31.907 0.680 1
1 68 . 7 1 1 A 14 14 LEU H H 14 8.630 8.736 -0.106 1
1 69 . 7 1 1 A 14 14 LEU HA H 14 4.764 5.112 -0.348 1
1 79 . 7 1 1 A 14 14 LEU C C 14 175.698 174.427 1.271 1
1 80 . 7 1 1 A 14 14 LEU CA C 14 53.975 53.099 0.876 1
1 81 . 7 1 1 A 14 14 LEU CB C 14 48.936 46.032 2.904 1
1 85 . 7 1 1 A 14 14 LEU N N 14 122.246 124.110 -1.864 1
1 86 . 7 1 1 A 15 15 ARG H H 15 8.498 8.007 0.491 1
1 87 . 7 1 1 A 15 15 ARG HA H 15 5.421 5.306 0.115 1
1 95 . 7 1 1 A 15 15 ARG C C 15 174.664 174.893 -0.229 1
1 96 . 7 1 1 A 15 15 ARG CA C 15 54.858 54.421 0.437 1
1 97 . 7 1 1 A 15 15 ARG CB C 15 34.085 33.791 0.294 1
1 100 . 7 1 1 A 15 15 ARG N N 15 118.593 122.585 -3.992 1
1 102 . 7 1 1 A 16 16 LEU H H 16 9.244 8.947 0.297 1
1 103 . 7 1 1 A 16 16 LEU HA H 16 5.662 5.623 0.039 1
1 113 . 7 1 1 A 16 16 LEU C C 16 176.872 174.839 2.033 1
1 114 . 7 1 1 A 16 16 LEU CA C 16 53.746 53.607 0.139 1
1 115 . 7 1 1 A 16 16 LEU CB C 16 47.803 46.867 0.936 1
1 119 . 7 1 1 A 16 16 LEU N N 16 123.893 124.499 -0.606 1
1 120 . 7 1 1 A 17 17 SER H H 17 8.982 8.361 0.621 1
1 121 . 7 1 1 A 17 17 SER HA H 17 4.484 5.030 -0.546 1
1 124 . 7 1 1 A 17 17 SER C C 17 173.790 172.895 0.895 1
1 125 . 7 1 1 A 17 17 SER CA C 17 57.081 56.770 0.311 1
1 126 . 7 1 1 A 17 17 SER CB C 17 64.487 65.495 -1.008 1
1 127 . 7 1 1 A 17 17 SER N N 17 117.455 118.231 -0.776 1
1 128 . 7 1 1 A 18 18 GLU H H 18 9.102 8.643 0.459 1
1 129 . 7 1 1 A 18 18 GLU HA H 18 3.832 4.318 -0.486 1
1 134 . 7 1 1 A 18 18 GLU C C 18 176.185 177.071 -0.886 1
1 135 . 7 1 1 A 18 18 GLU CA C 18 58.793 55.531 3.262 1
1 136 . 7 1 1 A 18 18 GLU CB C 18 30.037 29.018 1.019 1
1 138 . 7 1 1 A 18 18 GLU N N 18 129.354 122.791 6.563 1
1 139 . 7 1 1 A 19 19 SER H H 19 7.792 9.094 -1.302 1
1 140 . 7 1 1 A 19 19 SER HA H 19 4.650 4.249 0.401 1
1 143 . 7 1 1 A 19 19 SER C C 19 175.321 173.795 1.526 1
1 144 . 7 1 1 A 19 19 SER CA C 19 57.699 59.265 -1.566 1
1 145 . 7 1 1 A 19 19 SER CB C 19 65.816 62.036 3.780 1
1 146 . 7 1 1 A 19 19 SER N N 19 108.812 119.922 -11.110 1
1 147 . 7 1 1 A 20 20 GLY H H 20 8.376 8.536 -0.160 1
1 148 . 7 1 1 A 20 20 GLY HA2 H 20 3.931 3.373 0.558 1
1 149 . 7 1 1 A 20 20 GLY HA3 H 20 2.690 3.735 -1.045 1
1 150 . 7 1 1 A 20 20 GLY C C 20 172.644 174.201 -1.557 1
1 151 . 7 1 1 A 20 20 GLY CA C 20 44.746 46.423 -1.677 1
1 152 . 7 1 1 A 20 20 GLY N N 20 111.458 106.456 5.002 1
1 153 . 7 1 1 A 21 21 GLU H H 21 7.522 7.646 -0.124 1
1 154 . 7 1 1 A 21 21 GLU HA H 21 4.274 4.603 -0.329 1
1 159 . 7 1 1 A 21 21 GLU C C 21 176.266 175.579 0.687 1
1 160 . 7 1 1 A 21 21 GLU CA C 21 58.069 57.695 0.374 1
1 161 . 7 1 1 A 21 21 GLU CB C 21 31.024 32.167 -1.143 1
1 163 . 7 1 1 A 21 21 GLU N N 21 119.071 119.359 -0.288 1
1 164 . 7 1 1 A 22 22 THR H H 22 7.436 7.815 -0.379 1
1 165 . 7 1 1 A 22 22 THR HA H 22 4.618 4.784 -0.166 1
1 170 . 7 1 1 A 22 22 THR C C 22 173.662 172.937 0.725 1
1 171 . 7 1 1 A 22 22 THR CA C 22 60.682 60.570 0.112 1
1 172 . 7 1 1 A 22 22 THR CB C 22 70.504 70.641 -0.137 1
1 174 . 7 1 1 A 22 22 THR N N 22 111.176 108.913 2.263 1
1 175 . 7 1 1 A 23 23 TRP H H 23 9.121 9.004 0.117 1
1 176 . 7 1 1 A 23 23 TRP HA H 23 4.983 5.450 -0.467 1
1 185 . 7 1 1 A 23 23 TRP C C 23 175.888 176.849 -0.961 1
1 186 . 7 1 1 A 23 23 TRP CA C 23 56.570 56.943 -0.373 1
1 187 . 7 1 1 A 23 23 TRP CB C 23 32.176 30.914 1.262 1
1 193 . 7 1 1 A 23 23 TRP N N 23 127.096 128.511 -1.415 1
1 195 . 7 1 1 A 24 24 SER H H 24 9.273 9.480 -0.207 1
1 196 . 7 1 1 A 24 24 SER HA H 24 4.948 5.149 -0.201 1
1 199 . 7 1 1 A 24 24 SER C C 24 173.268 173.215 0.053 1
1 200 . 7 1 1 A 24 24 SER CA C 24 57.346 57.435 -0.089 1
1 201 . 7 1 1 A 24 24 SER CB C 24 65.445 66.457 -1.012 1
1 202 . 7 1 1 A 24 24 SER N N 24 118.031 118.371 -0.340 1
1 203 . 7 1 1 A 25 25 GLU H H 25 8.990 8.533 0.457 1
1 204 . 7 1 1 A 25 25 GLU HA H 25 4.737 4.532 0.205 1
1 209 . 7 1 1 A 25 25 GLU C C 25 176.246 176.141 0.105 1
1 210 . 7 1 1 A 25 25 GLU CA C 25 57.170 56.348 0.822 1
1 211 . 7 1 1 A 25 25 GLU CB C 25 30.202 30.048 0.154 1
1 213 . 7 1 1 A 25 25 GLU N N 25 125.088 123.188 1.900 1
1 214 . 7 1 1 A 26 26 VAL H H 26 9.012 9.036 -0.024 1
1 215 . 7 1 1 A 26 26 VAL HA H 26 5.002 4.859 0.143 1
1 223 . 7 1 1 A 26 26 VAL C C 26 174.304 173.789 0.515 1
1 224 . 7 1 1 A 26 26 VAL CA C 26 58.917 59.618 -0.701 1
1 225 . 7 1 1 A 26 26 VAL CB C 26 35.753 36.092 -0.339 1
1 228 . 7 1 1 A 26 26 VAL N N 26 118.076 119.087 -1.011 1
1 229 . 7 1 1 A 27 27 TRP H H 27 8.880 9.005 -0.125 1
1 230 . 7 1 1 A 27 27 TRP HA H 27 4.814 5.296 -0.482 1
1 239 . 7 1 1 A 27 27 TRP C C 27 174.255 174.810 -0.555 1
1 240 . 7 1 1 A 27 27 TRP CA C 27 57.117 55.711 1.406 1
1 241 . 7 1 1 A 27 27 TRP CB C 27 30.325 32.141 -1.816 1
1 247 . 7 1 1 A 27 27 TRP N N 27 122.873 126.409 -3.536 1
1 249 . 7 1 1 A 28 28 ALA H H 28 8.482 8.620 -0.138 1
1 250 . 7 1 1 A 28 28 ALA HA H 28 5.329 5.299 0.030 1
1 254 . 7 1 1 A 28 28 ALA C C 28 175.519 175.701 -0.182 1
1 255 . 7 1 1 A 28 28 ALA CA C 28 49.670 50.292 -0.622 1
1 256 . 7 1 1 A 28 28 ALA CB C 28 23.827 21.808 2.019 1
1 257 . 7 1 1 A 28 28 ALA N N 28 133.586 129.541 4.045 1
1 258 . 7 1 1 A 29 29 ALA H H 29 8.948 8.814 0.134 1
1 259 . 7 1 1 A 29 29 ALA HA H 29 5.160 5.313 -0.153 1
1 263 . 7 1 1 A 29 29 ALA C C 29 175.956 176.161 -0.205 1
1 264 . 7 1 1 A 29 29 ALA CA C 29 52.210 51.864 0.346 1
1 265 . 7 1 1 A 29 29 ALA CB C 29 23.697 23.218 0.479 1
1 266 . 7 1 1 A 29 29 ALA N N 29 119.901 123.005 -3.104 1
1 267 . 7 1 1 A 30 30 ILE H H 30 8.245 8.864 -0.619 1
1 268 . 7 1 1 A 30 30 ILE HA H 30 5.313 4.631 0.682 1
1 278 . 7 1 1 A 30 30 ILE C C 30 174.004 174.459 -0.455 1
1 279 . 7 1 1 A 30 30 ILE CA C 30 57.699 57.312 0.387 1
1 280 . 7 1 1 A 30 30 ILE CB C 30 40.565 39.806 0.759 1
1 284 . 7 1 1 A 30 30 ILE N N 30 122.332 121.059 1.273 1
1 285 . 7 1 1 A 31 31 PRO HA H 31 4.655 4.690 -0.035 1
1 292 . 7 1 1 A 31 31 PRO C C 31 177.566 177.919 -0.353 1
1 293 . 7 1 1 A 31 31 PRO CA C 31 62.464 62.458 0.006 1
1 294 . 7 1 1 A 31 31 PRO CB C 31 31.929 31.569 0.360 1
1 297 . 7 1 1 A 32 32 MET H H 32 8.572 8.638 -0.066 1
1 298 . 7 1 1 A 32 32 MET HA H 32 3.997 4.114 -0.117 1
1 306 . 7 1 1 A 32 32 MET C C 32 177.770 178.302 -0.532 1
1 307 . 7 1 1 A 32 32 MET CA C 32 58.158 58.886 -0.728 1
1 308 . 7 1 1 A 32 32 MET CB C 32 31.929 32.347 -0.418 1
1 311 . 7 1 1 A 32 32 MET N N 32 121.580 124.346 -2.766 1
1 312 . 7 1 1 A 33 33 SER H H 33 8.163 8.254 -0.091 1
1 313 . 7 1 1 A 33 33 SER HA H 33 4.213 4.269 -0.056 1
1 316 . 7 1 1 A 33 33 SER C C 33 174.424 174.409 0.015 1
1 317 . 7 1 1 A 33 33 SER CA C 33 58.864 61.294 -2.430 1
1 318 . 7 1 1 A 33 33 SER CB C 33 63.225 62.883 0.342 1
1 319 . 7 1 1 A 33 33 SER N N 33 109.218 114.307 -5.089 1
1 320 . 7 1 1 A 34 34 ASP H H 34 7.179 7.715 -0.536 1
1 321 . 7 1 1 A 34 34 ASP HA H 34 4.912 5.086 -0.174 1
1 324 . 7 1 1 A 34 34 ASP C C 34 171.847 174.202 -2.355 1
1 325 . 7 1 1 A 34 34 ASP CA C 34 52.581 51.191 1.390 1
1 326 . 7 1 1 A 34 34 ASP CB C 34 41.223 41.380 -0.157 1
1 327 . 7 1 1 A 34 34 ASP N N 34 120.601 120.336 0.265 1
1 328 . 7 1 1 A 35 35 PRO HA H 35 4.510 4.574 -0.064 1
1 335 . 7 1 1 A 35 35 PRO C C 35 175.635 176.505 -0.870 1
1 336 . 7 1 1 A 35 35 PRO CA C 35 64.511 63.947 0.564 1
1 337 . 7 1 1 A 35 35 PRO CB C 35 31.729 32.058 -0.329 1
1 340 . 7 1 1 A 36 36 GLN H H 36 7.982 8.380 -0.398 1
1 341 . 7 1 1 A 36 36 GLN HA H 36 4.472 4.452 0.020 1
1 348 . 7 1 1 A 36 36 GLN C C 36 174.646 174.871 -0.225 1
1 349 . 7 1 1 A 36 36 GLN CA C 36 55.193 55.879 -0.686 1
1 350 . 7 1 1 A 36 36 GLN CB C 36 29.420 29.282 0.138 1
1 352 . 7 1 1 A 36 36 GLN N N 36 114.393 117.294 -2.901 1
1 354 . 7 1 1 A 37 37 VAL H H 37 7.878 7.622 0.256 1
1 355 . 7 1 1 A 37 37 VAL HA H 37 4.546 4.757 -0.211 1
1 363 . 7 1 1 A 37 37 VAL C C 37 172.485 172.718 -0.233 1
1 364 . 7 1 1 A 37 37 VAL CA C 37 60.987 60.239 0.748 1
1 365 . 7 1 1 A 37 37 VAL CB C 37 35.218 34.643 0.575 1
1 368 . 7 1 1 A 37 37 VAL N N 37 120.432 119.435 0.997 1
1 369 . 7 1 1 A 38 38 LEU H H 38 7.992 8.874 -0.882 1
1 370 . 7 1 1 A 38 38 LEU HA H 38 4.770 5.259 -0.489 1
1 380 . 7 1 1 A 38 38 LEU C C 38 175.193 175.233 -0.040 1
1 381 . 7 1 1 A 38 38 LEU CA C 38 53.146 53.131 0.015 1
1 382 . 7 1 1 A 38 38 LEU CB C 38 45.359 44.602 0.757 1
1 386 . 7 1 1 A 38 38 LEU N N 38 123.585 129.123 -5.538 1
1 387 . 7 1 1 A 39 39 HIS H H 39 9.442 8.908 0.534 1
1 388 . 7 1 1 A 39 39 HIS HA H 39 5.212 5.100 0.112 1
1 393 . 7 1 1 A 39 39 HIS C C 39 175.351 175.526 -0.175 1
1 394 . 7 1 1 A 39 39 HIS CA C 39 55.211 56.196 -0.985 1
1 395 . 7 1 1 A 39 39 HIS CB C 39 32.669 30.926 1.743 1
1 398 . 7 1 1 A 39 39 HIS N N 39 126.949 126.267 0.682 1
1 399 . 7 1 1 A 40 40 LEU H H 40 8.424 8.410 0.014 1
1 400 . 7 1 1 A 40 40 LEU HA H 40 5.082 5.071 0.011 1
1 410 . 7 1 1 A 40 40 LEU C C 40 176.050 175.039 1.011 1
1 411 . 7 1 1 A 40 40 LEU CA C 40 53.552 53.414 0.138 1
1 412 . 7 1 1 A 40 40 LEU CB C 40 44.019 45.286 -1.267 1
1 416 . 7 1 1 A 40 40 LEU N N 40 122.395 121.835 0.560 1
1 417 . 7 1 1 A 41 41 GLN H H 41 8.972 9.457 -0.485 1
1 418 . 7 1 1 A 41 41 GLN HA H 41 4.723 5.370 -0.647 1
1 425 . 7 1 1 A 41 41 GLN C C 41 175.453 175.071 0.382 1
1 426 . 7 1 1 A 41 41 GLN CA C 41 54.840 54.287 0.553 1
1 427 . 7 1 1 A 41 41 GLN CB C 41 31.946 32.353 -0.407 1
1 429 . 7 1 1 A 41 41 GLN N N 41 121.779 122.824 -1.045 1
1 431 . 7 1 1 A 42 42 GLY H H 42 8.739 8.479 0.260 1
1 432 . 7 1 1 A 42 42 GLY HA2 H 42 4.252 4.276 -0.024 1
1 433 . 7 1 1 A 42 42 GLY HA3 H 42 4.200 4.300 -0.100 1
1 434 . 7 1 1 A 42 42 GLY C C 42 173.938 172.661 1.277 1
1 435 . 7 1 1 A 42 42 GLY CA C 42 44.746 45.991 -1.245 1
1 436 . 7 1 1 A 42 42 GLY N N 42 112.892 111.887 1.005 1
1 437 . 7 1 1 A 43 43 GLY H H 43 8.709 7.922 0.787 1
1 438 . 7 1 1 A 43 43 GLY HA2 H 43 4.110 4.307 -0.197 1
1 439 . 7 1 1 A 43 43 GLY HA3 H 43 3.962 4.308 -0.346 1
1 440 . 7 1 1 A 43 43 GLY C C 43 174.713 172.423 2.290 1
1 441 . 7 1 1 A 43 43 GLY CA C 43 45.346 46.076 -0.730 1
1 442 . 7 1 1 A 43 43 GLY N N 43 108.768 110.852 -2.084 1
1 443 . 7 1 1 A 44 44 SER H H 44 8.369 8.506 -0.137 1
1 444 . 7 1 1 A 44 44 SER C C 44 175.312 174.828 0.484 1
1 445 . 7 1 1 A 44 44 SER CA C 44 58.723 57.114 1.609 1
1 446 . 7 1 1 A 44 44 SER CB C 44 63.924 63.746 0.178 1
1 447 . 7 1 1 A 44 44 SER N N 44 115.582 115.999 -0.417 1
1 448 . 7 1 1 A 45 45 GLN HA H 45 4.346 4.455 -0.109 1
1 455 . 7 1 1 A 45 45 GLN C C 45 175.931 175.673 0.258 1
1 456 . 7 1 1 A 45 45 GLN CA C 45 56.358 57.076 -0.718 1
1 457 . 7 1 1 A 45 45 GLN CB C 45 28.392 30.431 -2.039 1
1 460 . 7 1 1 A 46 46 ASP H H 46 8.053 7.966 0.087 1
1 461 . 7 1 1 A 46 46 ASP HA H 46 4.615 4.809 -0.194 1
1 464 . 7 1 1 A 46 46 ASP C C 46 176.998 175.438 1.560 1
1 465 . 7 1 1 A 46 46 ASP CA C 46 54.188 53.769 0.419 1
1 466 . 7 1 1 A 46 46 ASP CB C 46 41.099 42.598 -1.499 1
1 467 . 7 1 1 A 46 46 ASP N N 46 119.460 118.601 0.859 1
1 468 . 7 1 1 A 47 47 GLY H H 47 8.311 8.489 -0.178 1
1 469 . 7 1 1 A 47 47 GLY HA2 H 47 3.970 4.363 -0.393 1
1 470 . 7 1 1 A 47 47 GLY HA3 H 47 3.970 4.372 -0.402 1
1 471 . 7 1 1 A 47 47 GLY C C 47 174.725 173.200 1.525 1
1 472 . 7 1 1 A 47 47 GLY CA C 47 45.892 44.822 1.070 1
1 473 . 7 1 1 A 47 47 GLY N N 47 109.753 107.102 2.651 1
1 474 . 7 1 1 A 48 48 ARG H H 48 8.300 8.725 -0.425 1
1 475 . 7 1 1 A 48 48 ARG HA H 48 4.308 3.837 0.471 1
1 482 . 7 1 1 A 48 48 ARG C C 48 176.347 174.899 1.448 1
1 483 . 7 1 1 A 48 48 ARG CA C 48 56.782 56.952 -0.170 1
1 484 . 7 1 1 A 48 48 ARG CB C 48 30.654 27.876 2.778 1
1 487 . 7 1 1 A 48 48 ARG N N 48 119.526 118.342 1.184 1
1 488 . 7 1 1 A 49 49 LEU H H 49 7.682 7.776 -0.094 1
1 489 . 7 1 1 A 49 49 LEU HA H 49 4.252 4.354 -0.102 1
1 499 . 7 1 1 A 49 49 LEU C C 49 174.707 175.202 -0.495 1
1 500 . 7 1 1 A 49 49 LEU CA C 49 53.040 50.963 2.077 1
1 501 . 7 1 1 A 49 49 LEU CB C 49 41.759 43.101 -1.342 1
1 505 . 7 1 1 A 49 49 LEU N N 49 121.049 120.030 1.019 1
1 506 . 7 1 1 A 50 50 PRO HA H 50 4.392 4.704 -0.312 1
1 513 . 7 1 1 A 50 50 PRO C C 50 175.058 177.177 -2.119 1
1 514 . 7 1 1 A 50 50 PRO CA C 50 62.323 62.497 -0.174 1
1 515 . 7 1 1 A 50 50 PRO CB C 50 31.353 31.686 -0.333 1
1 518 . 7 1 1 A 51 51 ARG H H 51 8.295 8.947 -0.652 1
1 519 . 7 1 1 A 51 51 ARG HA H 51 4.511 4.247 0.264 1
1 526 . 7 1 1 A 51 51 ARG C C 51 177.443 176.304 1.139 1
1 527 . 7 1 1 A 51 51 ARG CA C 51 56.728 58.742 -2.014 1
1 528 . 7 1 1 A 51 51 ARG CB C 51 31.194 31.138 0.056 1
1 531 . 7 1 1 A 51 51 ARG N N 51 119.201 120.982 -1.781 1
1 532 . 7 1 1 A 52 52 THR H H 52 7.372 7.736 -0.364 1
1 533 . 7 1 1 A 52 52 THR HA H 52 4.963 4.658 0.305 1
1 538 . 7 1 1 A 52 52 THR C C 52 173.287 173.822 -0.535 1
1 539 . 7 1 1 A 52 52 THR CA C 52 59.411 60.466 -1.055 1
1 540 . 7 1 1 A 52 52 THR CB C 52 71.632 70.452 1.180 1
1 542 . 7 1 1 A 52 52 THR N N 52 109.591 110.513 -0.922 1
1 543 . 7 1 1 A 53 53 ILE H H 53 8.742 8.862 -0.120 1
1 544 . 7 1 1 A 53 53 ILE HA H 53 3.845 4.462 -0.617 1
1 554 . 7 1 1 A 53 53 ILE C C 53 173.374 174.435 -1.061 1
1 555 . 7 1 1 A 53 53 ILE CA C 53 57.735 57.322 0.413 1
1 556 . 7 1 1 A 53 53 ILE CB C 53 41.196 39.622 1.574 1
1 560 . 7 1 1 A 53 53 ILE N N 53 123.236 125.881 -2.645 1
1 561 . 7 1 1 A 54 54 PRO HA H 54 4.541 4.650 -0.109 1
1 568 . 7 1 1 A 54 54 PRO CA C 54 61.292 62.285 -0.993 1
1 569 . 7 1 1 A 54 54 PRO CB C 54 30.119 31.399 -1.280 1
1 572 . 7 1 1 A 55 55 LEU H H 55 8.146 8.052 0.094 1
1 573 . 7 1 1 A 55 55 LEU HA H 55 4.262 3.858 0.404 1
1 583 . 7 1 1 A 55 55 LEU CA C 55 58.660 58.984 -0.324 1
1 584 . 7 1 1 A 55 55 LEU CB C 55 39.660 39.569 0.091 1
1 588 . 7 1 1 A 55 55 LEU N N 55 127.224 123.508 3.716 1
1 589 . 7 1 1 A 56 56 PRO HA H 56 4.630 4.429 0.201 1
1 596 . 7 1 1 A 56 56 PRO C C 56 177.498 177.068 0.430 1
1 597 . 7 1 1 A 56 56 PRO CA C 56 65.782 65.248 0.534 1
1 598 . 7 1 1 A 56 56 PRO CB C 56 31.188 31.339 -0.151 1
1 601 . 7 1 1 A 57 57 SER H H 57 7.722 7.894 -0.172 1
1 602 . 7 1 1 A 57 57 SER HA H 57 4.723 4.785 -0.062 1
1 605 . 7 1 1 A 57 57 SER C C 57 174.102 173.497 0.605 1
1 606 . 7 1 1 A 57 57 SER CA C 57 58.423 57.429 0.994 1
1 607 . 7 1 1 A 57 57 SER CB C 57 63.924 64.151 -0.227 1
1 608 . 7 1 1 A 57 57 SER N N 57 110.169 111.940 -1.771 1
1 609 . 7 1 1 A 58 58 CYS H H 58 8.002 7.905 0.097 1
1 610 . 7 1 1 A 58 58 CYS HA H 58 5.282 5.084 0.198 1
1 613 . 7 1 1 A 58 58 CYS C C 58 174.525 173.272 1.253 1
1 614 . 7 1 1 A 58 58 CYS CA C 58 59.447 57.152 2.295 1
1 615 . 7 1 1 A 58 58 CYS CB C 58 29.594 29.625 -0.031 1
1 616 . 7 1 1 A 58 58 CYS N N 58 118.902 119.280 -0.378 1
1 617 . 7 1 1 A 59 59 LYS H H 59 9.242 8.800 0.442 1
1 618 . 7 1 1 A 59 59 LYS HA H 59 4.777 4.720 0.057 1
1 627 . 7 1 1 A 59 59 LYS C C 59 175.947 174.901 1.046 1
1 628 . 7 1 1 A 59 59 LYS CA C 59 55.299 54.969 0.330 1
1 629 . 7 1 1 A 59 59 LYS CB C 59 34.561 33.727 0.834 1
1 633 . 7 1 1 A 59 59 LYS N N 59 122.306 125.562 -3.256 1
1 634 . 7 1 1 A 60 60 LEU H H 60 9.030 8.940 0.090 1
1 635 . 7 1 1 A 60 60 LEU HA H 60 5.543 4.738 0.805 1
1 645 . 7 1 1 A 60 60 LEU C C 60 176.239 175.851 0.388 1
1 646 . 7 1 1 A 60 60 LEU CA C 60 53.958 54.536 -0.578 1
1 647 . 7 1 1 A 60 60 LEU CB C 60 44.454 41.365 3.089 1
1 651 . 7 1 1 A 60 60 LEU N N 60 129.520 129.623 -0.103 1
1 652 . 7 1 1 A 61 61 SER H H 61 9.077 8.813 0.264 1
1 653 . 7 1 1 A 61 61 SER HA H 61 4.832 5.057 -0.225 1
1 656 . 7 1 1 A 61 61 SER C C 61 172.173 172.676 -0.503 1
1 657 . 7 1 1 A 61 61 SER CA C 61 57.558 57.691 -0.133 1
1 658 . 7 1 1 A 61 61 SER CB C 61 65.692 65.909 -0.217 1
1 659 . 7 1 1 A 61 61 SER N N 61 117.374 122.551 -5.177 1
1 660 . 7 1 1 A 62 62 VAL H H 62 8.784 8.826 -0.042 1
1 661 . 7 1 1 A 62 62 VAL HA H 62 4.927 4.617 0.310 1
1 669 . 7 1 1 A 62 62 VAL C C 62 174.367 174.684 -0.317 1
1 670 . 7 1 1 A 62 62 VAL CA C 62 59.782 60.402 -0.620 1
1 671 . 7 1 1 A 62 62 VAL CB C 62 33.518 32.127 1.391 1
1 674 . 7 1 1 A 62 62 VAL N N 62 119.929 126.753 -6.824 1
1 675 . 7 1 1 A 63 63 PRO HA H 63 4.495 4.639 -0.144 1
1 682 . 7 1 1 A 63 63 PRO CA C 63 62.526 62.522 0.004 1
1 683 . 7 1 1 A 63 63 PRO CB C 63 32.504 32.308 0.196 1
1 686 . 7 1 1 A 64 64 ASP H H 64 8.762 8.635 0.127 1
1 687 . 7 1 1 A 64 64 ASP HA H 64 4.780 4.720 0.060 1
1 690 . 7 1 1 A 64 64 ASP CA C 64 53.231 52.728 0.503 1
1 691 . 7 1 1 A 64 64 ASP CB C 64 41.105 40.181 0.924 1
1 692 . 7 1 1 A 64 64 ASP N N 64 123.527 121.234 2.293 1
1 693 . 7 1 1 A 65 65 PRO HA H 65 4.371 4.502 -0.131 1
1 700 . 7 1 1 A 65 65 PRO C C 65 178.309 178.177 0.132 1
1 701 . 7 1 1 A 65 65 PRO CA C 65 64.829 64.486 0.343 1
1 702 . 7 1 1 A 65 65 PRO CB C 65 32.136 31.859 0.277 1
1 705 . 7 1 1 A 66 66 GLU H H 66 8.890 8.539 0.351 1
1 706 . 7 1 1 A 66 66 GLU HA H 66 4.129 4.041 0.088 1
1 711 . 7 1 1 A 66 66 GLU C C 66 177.222 179.649 -2.427 1
1 712 . 7 1 1 A 66 66 GLU CA C 66 57.805 59.902 -2.097 1
1 713 . 7 1 1 A 66 66 GLU CB C 66 29.334 29.007 0.327 1
1 715 . 7 1 1 A 66 66 GLU N N 66 117.225 118.014 -0.789 1
1 716 . 7 1 1 A 67 67 GLU H H 67 7.971 7.868 0.103 1
1 717 . 7 1 1 A 67 67 GLU HA H 67 4.136 4.047 0.089 1
1 722 . 7 1 1 A 67 67 GLU C C 67 176.058 176.258 -0.200 1
1 723 . 7 1 1 A 67 67 GLU CA C 67 57.328 59.357 -2.029 1
1 724 . 7 1 1 A 67 67 GLU CB C 67 29.594 29.037 0.557 1
1 726 . 7 1 1 A 67 67 GLU N N 67 119.516 120.129 -0.613 1
1 727 . 7 1 1 A 68 68 ARG H H 68 8.020 7.514 0.506 1
1 728 . 7 1 1 A 68 68 ARG HA H 68 4.043 3.792 0.251 1
1 735 . 7 1 1 A 68 68 ARG C C 68 175.591 175.529 0.062 1
1 736 . 7 1 1 A 68 68 ARG CA C 68 56.075 56.907 -0.832 1
1 737 . 7 1 1 A 68 68 ARG CB C 68 28.927 27.493 1.434 1
1 740 . 7 1 1 A 68 68 ARG N N 68 118.917 116.937 1.980 1
1 741 . 7 1 1 A 69 69 LEU H H 69 8.188 7.866 0.322 1
1 742 . 7 1 1 A 69 69 LEU HA H 69 4.372 4.410 -0.038 1
1 752 . 7 1 1 A 69 69 LEU C C 69 176.013 177.890 -1.877 1
1 753 . 7 1 1 A 69 69 LEU CA C 69 54.682 54.864 -0.182 1
1 754 . 7 1 1 A 69 69 LEU CB C 69 43.238 43.108 0.130 1
1 758 . 7 1 1 A 69 69 LEU N N 69 122.935 120.134 2.801 1
1 759 . 7 1 1 A 70 70 ASP H H 70 8.382 8.977 -0.595 1
1 760 . 7 1 1 A 70 70 ASP HA H 70 4.123 4.209 -0.086 1
1 763 . 7 1 1 A 70 70 ASP C C 70 175.200 175.657 -0.457 1
1 764 . 7 1 1 A 70 70 ASP CA C 70 54.558 57.239 -2.681 1
1 765 . 7 1 1 A 70 70 ASP CB C 70 40.634 40.258 0.376 1
1 766 . 7 1 1 A 70 70 ASP N N 70 119.400 123.073 -3.673 1
1 767 . 7 1 1 A 71 71 SER H H 71 7.391 7.453 -0.062 1
1 768 . 7 1 1 A 71 71 SER HA H 71 4.233 4.476 -0.243 1
1 771 . 7 1 1 A 71 71 SER C C 71 174.294 174.313 -0.019 1
1 772 . 7 1 1 A 71 71 SER CA C 71 58.017 56.890 1.127 1
1 773 . 7 1 1 A 71 71 SER CB C 71 63.430 65.345 -1.915 1
1 774 . 7 1 1 A 71 71 SER N N 71 114.807 111.811 2.996 1
1 775 . 7 1 1 A 72 72 GLY H H 72 7.981 8.211 -0.230 1
1 776 . 7 1 1 A 72 72 GLY HA2 H 72 3.702 3.571 0.131 1
1 777 . 7 1 1 A 72 72 GLY HA3 H 72 3.610 3.697 -0.087 1
1 778 . 7 1 1 A 72 72 GLY C C 72 172.912 173.611 -0.699 1
1 779 . 7 1 1 A 72 72 GLY CA C 72 44.675 46.020 -1.345 1
1 780 . 7 1 1 A 72 72 GLY N N 72 108.675 111.631 -2.956 1
1 781 . 7 1 1 A 73 73 HIS H H 73 8.462 7.958 0.504 1
1 782 . 7 1 1 A 73 73 HIS HA H 73 4.859 5.188 -0.329 1
1 787 . 7 1 1 A 73 73 HIS C C 73 174.804 173.992 0.812 1
1 788 . 7 1 1 A 73 73 HIS CA C 73 54.700 54.562 0.138 1
1 789 . 7 1 1 A 73 73 HIS CB C 73 28.762 30.583 -1.821 1
1 792 . 7 1 1 A 73 73 HIS N N 73 122.843 117.518 5.325 1
1 793 . 7 1 1 A 74 74 VAL H H 74 7.682 8.829 -1.147 1
1 794 . 7 1 1 A 74 74 VAL HA H 74 5.402 4.794 0.608 1
1 802 . 7 1 1 A 74 74 VAL C C 74 176.121 173.575 2.546 1
1 803 . 7 1 1 A 74 74 VAL CA C 74 61.246 60.201 1.045 1
1 804 . 7 1 1 A 74 74 VAL CB C 74 35.383 35.634 -0.251 1
1 807 . 7 1 1 A 74 74 VAL N N 74 120.824 121.741 -0.917 1
1 808 . 7 1 1 A 75 75 TRP H H 75 9.581 8.674 0.907 1
1 809 . 7 1 1 A 75 75 TRP HA H 75 5.342 6.019 -0.677 1
1 818 . 7 1 1 A 75 75 TRP C C 75 171.123 173.452 -2.329 1
1 819 . 7 1 1 A 75 75 TRP CA C 75 57.046 54.856 2.190 1
1 820 . 7 1 1 A 75 75 TRP CB C 75 32.834 33.216 -0.382 1
1 826 . 7 1 1 A 75 75 TRP N N 75 124.656 124.613 0.043 1
1 828 . 7 1 1 A 76 76 LYS H H 76 9.557 9.262 0.295 1
1 829 . 7 1 1 A 76 76 LYS HA H 76 5.192 4.801 0.391 1
1 838 . 7 1 1 A 76 76 LYS C C 76 174.801 174.963 -0.162 1
1 839 . 7 1 1 A 76 76 LYS CA C 76 54.876 55.674 -0.798 1
1 840 . 7 1 1 A 76 76 LYS CB C 76 36.740 33.897 2.843 1
1 844 . 7 1 1 A 76 76 LYS N N 76 121.724 121.741 -0.017 1
1 845 . 7 1 1 A 77 77 LEU H H 77 8.957 8.475 0.482 1
1 846 . 7 1 1 A 77 77 LEU HA H 77 5.272 5.281 -0.009 1
1 856 . 7 1 1 A 77 77 LEU C C 77 174.927 174.992 -0.065 1
1 857 . 7 1 1 A 77 77 LEU CA C 77 54.046 54.353 -0.307 1
1 858 . 7 1 1 A 77 77 LEU CB C 77 46.281 44.786 1.495 1
1 862 . 7 1 1 A 77 77 LEU N N 77 124.578 125.418 -0.840 1
1 863 . 7 1 1 A 78 78 GLN H H 78 8.629 8.650 -0.021 1
1 864 . 7 1 1 A 78 78 GLN HA H 78 5.308 5.331 -0.023 1
1 871 . 7 1 1 A 78 78 GLN C C 78 174.564 174.698 -0.134 1
1 872 . 7 1 1 A 78 78 GLN CA C 78 54.452 54.409 0.043 1
1 873 . 7 1 1 A 78 78 GLN CB C 78 32.833 31.624 1.209 1
1 875 . 7 1 1 A 78 78 GLN N N 78 121.344 125.311 -3.967 1
1 877 . 7 1 1 A 79 79 TRP H H 79 8.601 8.521 0.080 1
1 878 . 7 1 1 A 79 79 TRP HA H 79 5.003 4.984 0.019 1
1 887 . 7 1 1 A 79 79 TRP C C 79 173.001 174.119 -1.118 1
1 888 . 7 1 1 A 79 79 TRP CA C 79 56.323 56.640 -0.317 1
1 889 . 7 1 1 A 79 79 TRP CB C 79 32.258 31.433 0.825 1
1 895 . 7 1 1 A 79 79 TRP N N 79 128.274 123.857 4.417 1
1 897 . 7 1 1 A 80 80 ALA H H 80 9.181 9.341 -0.160 1
1 898 . 7 1 1 A 80 80 ALA HA H 80 3.933 3.932 0.001 1
1 902 . 7 1 1 A 80 80 ALA C C 80 177.360 176.337 1.023 1
1 903 . 7 1 1 A 80 80 ALA CA C 80 54.222 53.244 0.978 1
1 904 . 7 1 1 A 80 80 ALA CB C 80 17.329 17.212 0.117 1
1 905 . 7 1 1 A 80 80 ALA N N 80 126.348 121.588 4.760 1
1 906 . 7 1 1 A 81 81 LYS H H 81 8.163 8.398 -0.235 1
1 907 . 7 1 1 A 81 81 LYS HA H 81 4.290 3.707 0.583 1
1 916 . 7 1 1 A 81 81 LYS C C 81 176.068 174.748 1.320 1
1 917 . 7 1 1 A 81 81 LYS CA C 81 56.305 57.372 -1.067 1
1 918 . 7 1 1 A 81 81 LYS CB C 81 31.312 29.418 1.894 1
1 922 . 7 1 1 A 81 81 LYS N N 81 120.289 107.404 12.885 1
1 923 . 7 1 1 A 82 82 GLN H H 82 8.423 7.608 0.815 1
1 924 . 7 1 1 A 82 82 GLN HA H 82 4.255 4.732 -0.477 1
1 931 . 7 1 1 A 82 82 GLN C C 82 174.996 174.174 0.822 1
1 932 . 7 1 1 A 82 82 GLN CA C 82 54.805 53.654 1.151 1
1 933 . 7 1 1 A 82 82 GLN CB C 82 30.942 32.185 -1.243 1
1 935 . 7 1 1 A 82 82 GLN N N 82 119.918 116.508 3.410 1
1 937 . 7 1 1 A 83 83 SER H H 83 7.683 8.013 -0.330 1
1 938 . 7 1 1 A 83 83 SER HA H 83 4.991 5.376 -0.385 1
1 941 . 7 1 1 A 83 83 SER C C 83 171.947 172.210 -0.263 1
1 942 . 7 1 1 A 83 83 SER CA C 83 57.629 57.072 0.557 1
1 943 . 7 1 1 A 83 83 SER CB C 83 64.664 65.623 -0.959 1
1 944 . 7 1 1 A 83 83 SER N N 83 115.649 112.433 3.216 1
1 945 . 7 1 1 A 84 84 TRP H H 84 8.665 8.612 0.053 1
1 946 . 7 1 1 A 84 84 TRP HA H 84 4.714 4.876 -0.162 1
1 955 . 7 1 1 A 84 84 TRP C C 84 174.105 174.519 -0.414 1
1 956 . 7 1 1 A 84 84 TRP CA C 84 56.834 55.977 0.857 1
1 957 . 7 1 1 A 84 84 TRP CB C 84 33.368 33.560 -0.192 1
1 963 . 7 1 1 A 84 84 TRP N N 84 122.334 122.867 -0.533 1
1 965 . 7 1 1 A 85 85 TYR H H 85 9.220 9.021 0.199 1
1 966 . 7 1 1 A 85 85 TYR HA H 85 5.209 5.183 0.026 1
1 973 . 7 1 1 A 85 85 TYR C C 85 175.136 174.855 0.281 1
1 974 . 7 1 1 A 85 85 TYR CA C 85 56.993 57.368 -0.375 1
1 975 . 7 1 1 A 85 85 TYR CB C 85 41.058 40.094 0.964 1
1 980 . 7 1 1 A 85 85 TYR N N 85 117.934 122.304 -4.370 1
1 981 . 7 1 1 A 86 86 LEU H H 86 8.662 9.146 -0.484 1
1 982 . 7 1 1 A 86 86 LEU HA H 86 5.172 4.677 0.495 1
1 992 . 7 1 1 A 86 86 LEU C C 86 174.454 174.335 0.119 1
1 993 . 7 1 1 A 86 86 LEU CA C 86 53.587 53.131 0.456 1
1 994 . 7 1 1 A 86 86 LEU CB C 86 43.773 41.963 1.810 1
1 998 . 7 1 1 A 86 86 LEU N N 86 121.945 124.800 -2.855 1
1 999 . 7 1 1 A 87 87 SER H H 87 8.642 8.528 0.114 1
1 1000 . 7 1 1 A 87 87 SER HA H 87 4.995 4.999 -0.004 1
1 1003 . 7 1 1 A 87 87 SER C C 87 173.683 173.576 0.107 1
1 1004 . 7 1 1 A 87 87 SER CA C 87 55.052 57.149 -2.097 1
1 1005 . 7 1 1 A 87 87 SER CB C 87 65.487 64.521 0.966 1
1 1006 . 7 1 1 A 87 87 SER N N 87 111.719 120.963 -9.244 1
1 1007 . 7 1 1 A 88 88 ALA H H 88 8.472 8.732 -0.260 1
1 1008 . 7 1 1 A 88 88 ALA HA H 88 5.184 4.773 0.411 1
1 1012 . 7 1 1 A 88 88 ALA C C 88 178.012 178.089 -0.077 1
1 1013 . 7 1 1 A 88 88 ALA CA C 88 49.423 50.176 -0.753 1
1 1014 . 7 1 1 A 88 88 ALA CB C 88 22.919 21.838 1.081 1
1 1015 . 7 1 1 A 88 88 ALA N N 88 126.939 129.607 -2.668 1
1 1016 . 7 1 1 A 89 89 SER H H 89 8.182 8.811 -0.629 1
1 1017 . 7 1 1 A 89 89 SER HA H 89 4.274 4.254 0.020 1
1 1020 . 7 1 1 A 89 89 SER C C 89 174.039 173.923 0.116 1
1 1021 . 7 1 1 A 89 89 SER CA C 89 60.135 61.505 -1.370 1
1 1022 . 7 1 1 A 89 89 SER CB C 89 63.571 63.257 0.314 1
1 1023 . 7 1 1 A 89 89 SER N N 89 111.359 117.018 -5.659 1
1 1024 . 7 1 1 A 90 90 SER H H 90 7.392 7.811 -0.419 1
1 1025 . 7 1 1 A 90 90 SER HA H 90 4.383 4.407 -0.024 1
1 1028 . 7 1 1 A 90 90 SER C C 90 173.114 173.858 -0.744 1
1 1029 . 7 1 1 A 90 90 SER CA C 90 56.023 57.019 -0.996 1
1 1030 . 7 1 1 A 90 90 SER CB C 90 67.108 65.341 1.767 1
1 1031 . 7 1 1 A 90 90 SER N N 90 113.112 109.970 3.142 1
1 1032 . 7 1 1 A 91 91 ALA H H 91 8.532 7.662 0.870 1
1 1033 . 7 1 1 A 91 91 ALA HA H 91 3.763 4.020 -0.257 1
1 1037 . 7 1 1 A 91 91 ALA C C 91 179.816 179.602 0.214 1
1 1038 . 7 1 1 A 91 91 ALA CA C 91 54.699 55.105 -0.406 1
1 1039 . 7 1 1 A 91 91 ALA CB C 91 18.111 18.138 -0.027 1
1 1040 . 7 1 1 A 91 91 ALA N N 91 123.767 124.250 -0.483 1
1 1041 . 7 1 1 A 92 92 GLU H H 92 8.766 7.978 0.788 1
1 1042 . 7 1 1 A 92 92 GLU HA H 92 3.942 3.978 -0.036 1
1 1047 . 7 1 1 A 92 92 GLU C C 92 179.568 179.016 0.552 1
1 1048 . 7 1 1 A 92 92 GLU CA C 92 60.206 59.410 0.796 1
1 1049 . 7 1 1 A 92 92 GLU CB C 92 28.721 29.272 -0.551 1
1 1051 . 7 1 1 A 92 92 GLU N N 92 118.712 118.262 0.450 1
1 1052 . 7 1 1 A 93 93 LEU H H 93 7.852 8.052 -0.200 1
1 1053 . 7 1 1 A 93 93 LEU HA H 93 4.274 4.165 0.109 1
1 1063 . 7 1 1 A 93 93 LEU C C 93 178.805 178.638 0.167 1
1 1064 . 7 1 1 A 93 93 LEU CA C 93 57.382 57.221 0.161 1
1 1065 . 7 1 1 A 93 93 LEU CB C 93 43.115 41.274 1.841 1
1 1069 . 7 1 1 A 93 93 LEU N N 93 121.212 121.491 -0.279 1
1 1070 . 7 1 1 A 94 94 GLN H H 94 8.080 8.466 -0.386 1
1 1071 . 7 1 1 A 94 94 GLN HA H 94 3.843 4.398 -0.555 1
1 1078 . 7 1 1 A 94 94 GLN C C 94 176.960 178.119 -1.159 1
1 1079 . 7 1 1 A 94 94 GLN CA C 94 59.694 58.568 1.126 1
1 1080 . 7 1 1 A 94 94 GLN CB C 94 28.063 28.792 -0.729 1
1 1082 . 7 1 1 A 94 94 GLN N N 94 120.439 119.112 1.327 1
1 1084 . 7 1 1 A 95 95 GLN H H 95 8.293 7.594 0.699 1
1 1085 . 7 1 1 A 95 95 GLN HA H 95 3.779 4.073 -0.294 1
1 1092 . 7 1 1 A 95 95 GLN C C 95 177.938 178.319 -0.381 1
1 1093 . 7 1 1 A 95 95 GLN CA C 95 59.005 58.742 0.263 1
1 1094 . 7 1 1 A 95 95 GLN CB C 95 27.610 28.826 -1.216 1
1 1096 . 7 1 1 A 95 95 GLN N N 95 117.408 118.588 -1.180 1
1 1098 . 7 1 1 A 96 96 GLN H H 96 7.731 7.770 -0.039 1
1 1099 . 7 1 1 A 96 96 GLN HA H 96 3.966 4.010 -0.044 1
1 1106 . 7 1 1 A 96 96 GLN C C 96 179.685 177.403 2.282 1
1 1107 . 7 1 1 A 96 96 GLN CA C 96 58.987 58.024 0.963 1
1 1108 . 7 1 1 A 96 96 GLN CB C 96 28.433 28.030 0.403 1
1 1110 . 7 1 1 A 96 96 GLN N N 96 119.621 116.996 2.625 1
1 1112 . 7 1 1 A 97 97 TRP H H 97 8.410 7.168 1.242 1
1 1113 . 7 1 1 A 97 97 TRP HA H 97 3.792 4.469 -0.677 1
1 1122 . 7 1 1 A 97 97 TRP C C 97 178.515 178.824 -0.309 1
1 1123 . 7 1 1 A 97 97 TRP CA C 97 61.670 59.286 2.384 1
1 1124 . 7 1 1 A 97 97 TRP CB C 97 29.972 29.977 -0.005 1
1 1130 . 7 1 1 A 97 97 TRP N N 97 121.370 119.759 1.611 1
1 1132 . 7 1 1 A 98 98 LEU H H 98 8.505 8.043 0.462 1
1 1133 . 7 1 1 A 98 98 LEU HA H 98 3.485 3.519 -0.034 1
1 1143 . 7 1 1 A 98 98 LEU C C 98 180.194 178.916 1.278 1
1 1144 . 7 1 1 A 98 98 LEU CA C 98 58.706 57.851 0.855 1
1 1145 . 7 1 1 A 98 98 LEU CB C 98 41.141 41.026 0.115 1
1 1149 . 7 1 1 A 98 98 LEU N N 98 119.038 119.962 -0.924 1
1 1150 . 7 1 1 A 99 99 GLU H H 99 8.241 8.389 -0.148 1
1 1151 . 7 1 1 A 99 99 GLU HA H 99 3.927 4.225 -0.298 1
1 1156 . 7 1 1 A 99 99 GLU C C 99 179.082 179.064 0.018 1
1 1157 . 7 1 1 A 99 99 GLU CA C 99 59.587 59.338 0.249 1
1 1158 . 7 1 1 A 99 99 GLU CB C 99 29.296 29.330 -0.034 1
1 1160 . 7 1 1 A 99 99 GLU N N 99 119.886 118.038 1.848 1
1 1161 . 7 1 1 A 100 100 THR H H 100 7.780 7.674 0.106 1
1 1162 . 7 1 1 A 100 100 THR HA H 100 3.862 3.964 -0.102 1
1 1167 . 7 1 1 A 100 100 THR C C 100 176.899 176.650 0.249 1
1 1168 . 7 1 1 A 100 100 THR CA C 100 67.088 66.570 0.518 1
1 1169 . 7 1 1 A 100 100 THR CB C 100 68.178 68.478 -0.300 1
1 1171 . 7 1 1 A 100 100 THR N N 100 116.913 115.037 1.876 1
1 1172 . 7 1 1 A 101 101 LEU H H 101 9.159 7.955 1.204 1
1 1173 . 7 1 1 A 101 101 LEU HA H 101 3.993 3.932 0.061 1
1 1183 . 7 1 1 A 101 101 LEU C C 101 178.416 178.828 -0.412 1
1 1184 . 7 1 1 A 101 101 LEU CA C 101 58.017 57.967 0.050 1
1 1185 . 7 1 1 A 101 101 LEU CB C 101 42.004 41.907 0.097 1
1 1189 . 7 1 1 A 101 101 LEU N N 101 121.065 121.173 -0.108 1
1 1190 . 7 1 1 A 102 102 SER H H 102 7.978 8.412 -0.434 1
1 1191 . 7 1 1 A 102 102 SER HA H 102 4.094 4.116 -0.022 1
1 1194 . 7 1 1 A 102 102 SER C C 102 176.370 177.350 -0.980 1
1 1195 . 7 1 1 A 102 102 SER CA C 102 61.794 61.396 0.398 1
1 1196 . 7 1 1 A 102 102 SER CB C 102 62.855 62.076 0.779 1
1 1197 . 7 1 1 A 102 102 SER N N 102 112.923 112.621 0.302 1
1 1198 . 7 1 1 A 103 103 THR H H 103 7.683 8.401 -0.718 1
1 1199 . 7 1 1 A 103 103 THR HA H 103 4.020 3.974 0.046 1
1 1204 . 7 1 1 A 103 103 THR C C 103 176.061 176.443 -0.382 1
1 1205 . 7 1 1 A 103 103 THR CA C 103 65.412 66.616 -1.204 1
1 1206 . 7 1 1 A 103 103 THR CB C 103 68.918 68.746 0.172 1
1 1208 . 7 1 1 A 103 103 THR N N 103 116.420 117.342 -0.922 1
1 1209 . 7 1 1 A 104 104 ALA H H 104 7.760 8.026 -0.266 1
1 1210 . 7 1 1 A 104 104 ALA HA H 104 4.272 3.955 0.317 1
1 1214 . 7 1 1 A 104 104 ALA C C 104 178.160 179.700 -1.540 1
1 1215 . 7 1 1 A 104 104 ALA CA C 104 54.011 55.397 -1.386 1
1 1216 . 7 1 1 A 104 104 ALA CB C 104 20.155 18.162 1.993 1
1 1217 . 7 1 1 A 104 104 ALA N N 104 123.981 123.394 0.587 1
1 1218 . 7 1 1 A 105 105 ALA H H 105 7.824 8.139 -0.315 1
1 1219 . 7 1 1 A 105 105 ALA HA H 105 4.092 4.149 -0.057 1
1 1223 . 7 1 1 A 105 105 ALA C C 105 177.657 177.949 -0.292 1
1 1224 . 7 1 1 A 105 105 ALA CA C 105 53.058 55.547 -2.489 1
1 1225 . 7 1 1 A 105 105 ALA CB C 105 19.067 18.940 0.127 1
1 1226 . 7 1 1 A 105 105 ALA N N 105 118.227 119.075 -0.848 1
1 1227 . 7 1 1 A 106 106 HIS H H 106 7.675 8.095 -0.420 1
1 1228 . 7 1 1 A 106 106 HIS HA H 106 4.703 4.967 -0.264 1
1 1233 . 7 1 1 A 106 106 HIS C C 106 175.296 174.579 0.717 1
1 1234 . 7 1 1 A 106 106 HIS CA C 106 56.287 55.164 1.123 1
1 1235 . 7 1 1 A 106 106 HIS CB C 106 30.407 30.541 -0.134 1
1 1238 . 7 1 1 A 106 106 HIS N N 106 115.860 114.065 1.795 1
1 1239 . 7 1 1 A 107 107 SER H H 107 8.015 8.905 -0.890 1
1 1240 . 7 1 1 A 107 107 SER HA H 107 4.560 4.417 0.143 1
1 1243 . 7 1 1 A 107 107 SER C C 107 174.345 175.790 -1.445 1
1 1244 . 7 1 1 A 107 107 SER CA C 107 58.546 61.924 -3.378 1
1 1245 . 7 1 1 A 107 107 SER CB C 107 64.130 63.881 0.249 1
1 1246 . 7 1 1 A 107 107 SER N N 107 116.310 119.407 -3.097 1
1 1247 . 7 1 1 A 108 108 GLY H H 108 8.282 7.834 0.448 1
1 1248 . 7 1 1 A 108 108 GLY HA2 H 108 4.213 4.048 0.165 1
1 1249 . 7 1 1 A 108 108 GLY HA3 H 108 4.042 4.058 -0.016 1
1 1250 . 7 1 1 A 108 108 GLY C C 108 171.750 173.209 -1.459 1
1 1251 . 7 1 1 A 108 108 GLY CA C 108 44.640 44.908 -0.268 1
1 1252 . 7 1 1 A 108 108 GLY N N 108 110.511 109.479 1.032 1
1 1253 . 7 1 1 A 109 109 PRO HA H 109 4.497 4.570 -0.073 1
1 1260 . 7 1 1 A 109 109 PRO C C 109 177.419 175.290 2.129 1
1 1261 . 7 1 1 A 109 109 PRO CA C 109 63.241 63.136 0.105 1
1 1262 . 7 1 1 A 109 109 PRO CB C 109 32.264 32.917 -0.653 1
1 1265 . 7 1 1 A 110 110 SER H H 110 8.558 8.951 -0.393 1
1 1266 . 7 1 1 A 110 110 SER C C 110 174.715 173.173 1.542 1
1 1267 . 7 1 1 A 110 110 SER CA C 110 58.335 57.327 1.008 1
1 1268 . 7 1 1 A 110 110 SER CB C 110 63.759 65.977 -2.218 1
1 1269 . 7 1 1 A 110 110 SER N N 110 116.470 117.167 -0.697 1
1 1270 . 7 1 1 A 111 111 SER H H 111 8.357 8.641 -0.284 1
1 1271 . 7 1 1 A 111 111 SER C C 111 173.931 175.244 -1.313 1
1 1272 . 7 1 1 A 111 111 SER CA C 111 58.335 58.778 -0.443 1
1 1 . 8 1 1 A 8 8 SER HA H 8 5.012 5.191 -0.179 1
1 4 . 8 1 1 A 8 8 SER CA C 8 58.166 57.528 0.638 1
1 5 . 8 1 1 A 8 8 SER CB C 8 64.582 66.468 -1.886 1
1 6 . 8 1 1 A 9 9 LEU H H 9 9.253 7.970 1.283 1
1 7 . 8 1 1 A 9 9 LEU HA H 9 4.091 3.981 0.110 1
1 17 . 8 1 1 A 9 9 LEU C C 9 176.799 176.823 -0.024 1
1 18 . 8 1 1 A 9 9 LEU CA C 9 57.523 57.865 -0.342 1
1 19 . 8 1 1 A 9 9 LEU CB C 9 42.703 42.108 0.595 1
1 23 . 8 1 1 A 9 9 LEU N N 9 127.432 126.780 0.652 1
1 24 . 8 1 1 A 10 10 LEU H H 10 6.827 7.822 -0.995 1
1 25 . 8 1 1 A 10 10 LEU HA H 10 4.201 4.635 -0.434 1
1 35 . 8 1 1 A 10 10 LEU C C 10 173.779 174.570 -0.791 1
1 36 . 8 1 1 A 10 10 LEU CA C 10 54.399 54.034 0.365 1
1 37 . 8 1 1 A 10 10 LEU CB C 10 45.006 45.624 -0.618 1
1 41 . 8 1 1 A 10 10 LEU N N 10 116.105 117.747 -1.642 1
1 42 . 8 1 1 A 11 11 CYS H H 11 7.989 8.978 -0.989 1
1 43 . 8 1 1 A 11 11 CYS HA H 11 5.743 5.435 0.308 1
1 46 . 8 1 1 A 11 11 CYS C C 11 172.654 173.224 -0.570 1
1 47 . 8 1 1 A 11 11 CYS CA C 11 55.546 57.266 -1.720 1
1 48 . 8 1 1 A 11 11 CYS CB C 11 31.333 31.347 -0.014 1
1 49 . 8 1 1 A 11 11 CYS N N 11 117.939 123.065 -5.126 1
1 50 . 8 1 1 A 12 12 GLY H H 12 8.479 7.274 1.205 1
1 51 . 8 1 1 A 12 12 GLY HA2 H 12 4.419 3.769 0.650 1
1 52 . 8 1 1 A 12 12 GLY HA3 H 12 2.832 4.073 -1.241 1
1 53 . 8 1 1 A 12 12 GLY C C 12 168.720 171.779 -3.059 1
1 54 . 8 1 1 A 12 12 GLY CA C 12 44.710 44.689 0.021 1
1 55 . 8 1 1 A 12 12 GLY N N 12 109.046 106.721 2.325 1
1 56 . 8 1 1 A 13 13 PRO HA H 13 5.163 4.484 0.679 1
1 63 . 8 1 1 A 13 13 PRO C C 13 177.501 175.145 2.356 1
1 64 . 8 1 1 A 13 13 PRO CA C 13 62.182 63.178 -0.996 1
1 65 . 8 1 1 A 13 13 PRO CB C 13 32.587 32.175 0.412 1
1 68 . 8 1 1 A 14 14 LEU H H 14 8.630 8.724 -0.094 1
1 69 . 8 1 1 A 14 14 LEU HA H 14 4.764 4.942 -0.178 1
1 79 . 8 1 1 A 14 14 LEU C C 14 175.698 173.884 1.814 1
1 80 . 8 1 1 A 14 14 LEU CA C 14 53.975 52.873 1.102 1
1 81 . 8 1 1 A 14 14 LEU CB C 14 48.936 45.205 3.731 1
1 85 . 8 1 1 A 14 14 LEU N N 14 122.246 123.781 -1.535 1
1 86 . 8 1 1 A 15 15 ARG H H 15 8.498 8.277 0.221 1
1 87 . 8 1 1 A 15 15 ARG HA H 15 5.421 5.403 0.018 1
1 95 . 8 1 1 A 15 15 ARG C C 15 174.664 174.778 -0.114 1
1 96 . 8 1 1 A 15 15 ARG CA C 15 54.858 54.448 0.410 1
1 97 . 8 1 1 A 15 15 ARG CB C 15 34.085 34.167 -0.082 1
1 100 . 8 1 1 A 15 15 ARG N N 15 118.593 122.681 -4.088 1
1 102 . 8 1 1 A 16 16 LEU H H 16 9.244 8.636 0.608 1
1 103 . 8 1 1 A 16 16 LEU HA H 16 5.662 5.578 0.084 1
1 113 . 8 1 1 A 16 16 LEU C C 16 176.872 174.731 2.141 1
1 114 . 8 1 1 A 16 16 LEU CA C 16 53.746 53.702 0.044 1
1 115 . 8 1 1 A 16 16 LEU CB C 16 47.803 46.527 1.276 1
1 119 . 8 1 1 A 16 16 LEU N N 16 123.893 124.335 -0.442 1
1 120 . 8 1 1 A 17 17 SER H H 17 8.982 8.367 0.615 1
1 121 . 8 1 1 A 17 17 SER HA H 17 4.484 5.101 -0.617 1
1 124 . 8 1 1 A 17 17 SER C C 17 173.790 173.073 0.717 1
1 125 . 8 1 1 A 17 17 SER CA C 17 57.081 56.781 0.300 1
1 126 . 8 1 1 A 17 17 SER CB C 17 64.487 65.033 -0.546 1
1 127 . 8 1 1 A 17 17 SER N N 17 117.455 118.643 -1.188 1
1 128 . 8 1 1 A 18 18 GLU H H 18 9.102 8.674 0.428 1
1 129 . 8 1 1 A 18 18 GLU HA H 18 3.832 4.579 -0.747 1
1 134 . 8 1 1 A 18 18 GLU C C 18 176.185 176.941 -0.756 1
1 135 . 8 1 1 A 18 18 GLU CA C 18 58.793 55.884 2.909 1
1 136 . 8 1 1 A 18 18 GLU CB C 18 30.037 30.418 -0.381 1
1 138 . 8 1 1 A 18 18 GLU N N 18 129.354 124.508 4.846 1
1 139 . 8 1 1 A 19 19 SER H H 19 7.792 9.314 -1.522 1
1 140 . 8 1 1 A 19 19 SER HA H 19 4.650 4.283 0.367 1
1 143 . 8 1 1 A 19 19 SER C C 19 175.321 173.803 1.518 1
1 144 . 8 1 1 A 19 19 SER CA C 19 57.699 59.259 -1.560 1
1 145 . 8 1 1 A 19 19 SER CB C 19 65.816 61.962 3.854 1
1 146 . 8 1 1 A 19 19 SER N N 19 108.812 120.235 -11.423 1
1 147 . 8 1 1 A 20 20 GLY H H 20 8.376 8.518 -0.142 1
1 148 . 8 1 1 A 20 20 GLY HA2 H 20 3.931 3.242 0.689 1
1 149 . 8 1 1 A 20 20 GLY HA3 H 20 2.690 3.596 -0.906 1
1 150 . 8 1 1 A 20 20 GLY C C 20 172.644 175.114 -2.470 1
1 151 . 8 1 1 A 20 20 GLY CA C 20 44.746 46.566 -1.820 1
1 152 . 8 1 1 A 20 20 GLY N N 20 111.458 106.185 5.273 1
1 153 . 8 1 1 A 21 21 GLU H H 21 7.522 7.691 -0.169 1
1 154 . 8 1 1 A 21 21 GLU HA H 21 4.274 4.514 -0.240 1
1 159 . 8 1 1 A 21 21 GLU C C 21 176.266 176.054 0.212 1
1 160 . 8 1 1 A 21 21 GLU CA C 21 58.069 56.446 1.623 1
1 161 . 8 1 1 A 21 21 GLU CB C 21 31.024 32.040 -1.016 1
1 163 . 8 1 1 A 21 21 GLU N N 21 119.071 118.165 0.906 1
1 164 . 8 1 1 A 22 22 THR H H 22 7.436 7.182 0.254 1
1 165 . 8 1 1 A 22 22 THR HA H 22 4.618 4.582 0.036 1
1 170 . 8 1 1 A 22 22 THR C C 22 173.662 171.338 2.324 1
1 171 . 8 1 1 A 22 22 THR CA C 22 60.682 60.699 -0.017 1
1 172 . 8 1 1 A 22 22 THR CB C 22 70.504 71.697 -1.193 1
1 174 . 8 1 1 A 22 22 THR N N 22 111.176 112.578 -1.402 1
1 175 . 8 1 1 A 23 23 TRP H H 23 9.121 9.061 0.060 1
1 176 . 8 1 1 A 23 23 TRP HA H 23 4.983 5.776 -0.793 1
1 185 . 8 1 1 A 23 23 TRP C C 23 175.888 176.138 -0.250 1
1 186 . 8 1 1 A 23 23 TRP CA C 23 56.570 55.536 1.034 1
1 187 . 8 1 1 A 23 23 TRP CB C 23 32.176 31.502 0.674 1
1 193 . 8 1 1 A 23 23 TRP N N 23 127.096 128.434 -1.338 1
1 195 . 8 1 1 A 24 24 SER H H 24 9.273 8.997 0.276 1
1 196 . 8 1 1 A 24 24 SER HA H 24 4.948 5.095 -0.147 1
1 199 . 8 1 1 A 24 24 SER C C 24 173.268 172.276 0.992 1
1 200 . 8 1 1 A 24 24 SER CA C 24 57.346 57.078 0.268 1
1 201 . 8 1 1 A 24 24 SER CB C 24 65.445 66.256 -0.811 1
1 202 . 8 1 1 A 24 24 SER N N 24 118.031 119.496 -1.465 1
1 203 . 8 1 1 A 25 25 GLU H H 25 8.990 8.688 0.302 1
1 204 . 8 1 1 A 25 25 GLU HA H 25 4.737 4.954 -0.217 1
1 209 . 8 1 1 A 25 25 GLU C C 25 176.246 176.106 0.140 1
1 210 . 8 1 1 A 25 25 GLU CA C 25 57.170 55.685 1.485 1
1 211 . 8 1 1 A 25 25 GLU CB C 25 30.202 31.180 -0.978 1
1 213 . 8 1 1 A 25 25 GLU N N 25 125.088 123.050 2.038 1
1 214 . 8 1 1 A 26 26 VAL H H 26 9.012 9.217 -0.205 1
1 215 . 8 1 1 A 26 26 VAL HA H 26 5.002 5.023 -0.021 1
1 223 . 8 1 1 A 26 26 VAL C C 26 174.304 173.682 0.622 1
1 224 . 8 1 1 A 26 26 VAL CA C 26 58.917 59.298 -0.381 1
1 225 . 8 1 1 A 26 26 VAL CB C 26 35.753 36.164 -0.411 1
1 228 . 8 1 1 A 26 26 VAL N N 26 118.076 119.373 -1.297 1
1 229 . 8 1 1 A 27 27 TRP H H 27 8.880 9.086 -0.206 1
1 230 . 8 1 1 A 27 27 TRP HA H 27 4.814 5.424 -0.610 1
1 239 . 8 1 1 A 27 27 TRP C C 27 174.255 174.578 -0.323 1
1 240 . 8 1 1 A 27 27 TRP CA C 27 57.117 55.160 1.957 1
1 241 . 8 1 1 A 27 27 TRP CB C 27 30.325 32.468 -2.143 1
1 247 . 8 1 1 A 27 27 TRP N N 27 122.873 125.918 -3.045 1
1 249 . 8 1 1 A 28 28 ALA H H 28 8.482 8.146 0.336 1
1 250 . 8 1 1 A 28 28 ALA HA H 28 5.329 5.256 0.073 1
1 254 . 8 1 1 A 28 28 ALA C C 28 175.519 175.988 -0.469 1
1 255 . 8 1 1 A 28 28 ALA CA C 28 49.670 50.228 -0.558 1
1 256 . 8 1 1 A 28 28 ALA CB C 28 23.827 21.151 2.676 1
1 257 . 8 1 1 A 28 28 ALA N N 28 133.586 129.604 3.982 1
1 258 . 8 1 1 A 29 29 ALA H H 29 8.948 8.828 0.120 1
1 259 . 8 1 1 A 29 29 ALA HA H 29 5.160 5.265 -0.105 1
1 263 . 8 1 1 A 29 29 ALA C C 29 175.956 175.839 0.117 1
1 264 . 8 1 1 A 29 29 ALA CA C 29 52.210 51.625 0.585 1
1 265 . 8 1 1 A 29 29 ALA CB C 29 23.697 23.945 -0.248 1
1 266 . 8 1 1 A 29 29 ALA N N 29 119.901 123.885 -3.984 1
1 267 . 8 1 1 A 30 30 ILE H H 30 8.245 8.393 -0.148 1
1 268 . 8 1 1 A 30 30 ILE HA H 30 5.313 4.658 0.655 1
1 278 . 8 1 1 A 30 30 ILE C C 30 174.004 174.295 -0.291 1
1 279 . 8 1 1 A 30 30 ILE CA C 30 57.699 57.159 0.540 1
1 280 . 8 1 1 A 30 30 ILE CB C 30 40.565 40.737 -0.172 1
1 284 . 8 1 1 A 30 30 ILE N N 30 122.332 120.128 2.204 1
1 285 . 8 1 1 A 31 31 PRO HA H 31 4.655 4.685 -0.030 1
1 292 . 8 1 1 A 31 31 PRO C C 31 177.566 177.967 -0.401 1
1 293 . 8 1 1 A 31 31 PRO CA C 31 62.464 62.393 0.071 1
1 294 . 8 1 1 A 31 31 PRO CB C 31 31.929 31.445 0.484 1
1 297 . 8 1 1 A 32 32 MET H H 32 8.572 8.612 -0.040 1
1 298 . 8 1 1 A 32 32 MET HA H 32 3.997 4.082 -0.085 1
1 306 . 8 1 1 A 32 32 MET C C 32 177.770 177.839 -0.069 1
1 307 . 8 1 1 A 32 32 MET CA C 32 58.158 58.754 -0.596 1
1 308 . 8 1 1 A 32 32 MET CB C 32 31.929 32.151 -0.222 1
1 311 . 8 1 1 A 32 32 MET N N 32 121.580 124.148 -2.568 1
1 312 . 8 1 1 A 33 33 SER H H 33 8.163 8.326 -0.163 1
1 313 . 8 1 1 A 33 33 SER HA H 33 4.213 4.275 -0.062 1
1 316 . 8 1 1 A 33 33 SER C C 33 174.424 174.470 -0.046 1
1 317 . 8 1 1 A 33 33 SER CA C 33 58.864 61.328 -2.464 1
1 318 . 8 1 1 A 33 33 SER CB C 33 63.225 62.808 0.417 1
1 319 . 8 1 1 A 33 33 SER N N 33 109.218 114.196 -4.978 1
1 320 . 8 1 1 A 34 34 ASP H H 34 7.179 8.176 -0.997 1
1 321 . 8 1 1 A 34 34 ASP HA H 34 4.912 5.076 -0.164 1
1 324 . 8 1 1 A 34 34 ASP C C 34 171.847 174.213 -2.366 1
1 325 . 8 1 1 A 34 34 ASP CA C 34 52.581 51.202 1.379 1
1 326 . 8 1 1 A 34 34 ASP CB C 34 41.223 41.546 -0.323 1
1 327 . 8 1 1 A 34 34 ASP N N 34 120.601 120.057 0.544 1
1 328 . 8 1 1 A 35 35 PRO HA H 35 4.510 4.556 -0.046 1
1 335 . 8 1 1 A 35 35 PRO C C 35 175.635 176.167 -0.532 1
1 336 . 8 1 1 A 35 35 PRO CA C 35 64.511 63.994 0.517 1
1 337 . 8 1 1 A 35 35 PRO CB C 35 31.729 32.038 -0.309 1
1 340 . 8 1 1 A 36 36 GLN H H 36 7.982 8.325 -0.343 1
1 341 . 8 1 1 A 36 36 GLN HA H 36 4.472 4.462 0.010 1
1 348 . 8 1 1 A 36 36 GLN C C 36 174.646 174.669 -0.023 1
1 349 . 8 1 1 A 36 36 GLN CA C 36 55.193 55.896 -0.703 1
1 350 . 8 1 1 A 36 36 GLN CB C 36 29.420 29.611 -0.191 1
1 352 . 8 1 1 A 36 36 GLN N N 36 114.393 117.889 -3.496 1
1 354 . 8 1 1 A 37 37 VAL H H 37 7.878 7.608 0.270 1
1 355 . 8 1 1 A 37 37 VAL HA H 37 4.546 4.667 -0.121 1
1 363 . 8 1 1 A 37 37 VAL C C 37 172.485 172.800 -0.315 1
1 364 . 8 1 1 A 37 37 VAL CA C 37 60.987 60.446 0.541 1
1 365 . 8 1 1 A 37 37 VAL CB C 37 35.218 34.931 0.287 1
1 368 . 8 1 1 A 37 37 VAL N N 37 120.432 119.561 0.871 1
1 369 . 8 1 1 A 38 38 LEU H H 38 7.992 8.734 -0.742 1
1 370 . 8 1 1 A 38 38 LEU HA H 38 4.770 5.231 -0.461 1
1 380 . 8 1 1 A 38 38 LEU C C 38 175.193 175.323 -0.130 1
1 381 . 8 1 1 A 38 38 LEU CA C 38 53.146 53.202 -0.056 1
1 382 . 8 1 1 A 38 38 LEU CB C 38 45.359 44.410 0.949 1
1 386 . 8 1 1 A 38 38 LEU N N 38 123.585 130.227 -6.642 1
1 387 . 8 1 1 A 39 39 HIS H H 39 9.442 8.982 0.460 1
1 388 . 8 1 1 A 39 39 HIS HA H 39 5.212 4.838 0.374 1
1 393 . 8 1 1 A 39 39 HIS C C 39 175.351 175.567 -0.216 1
1 394 . 8 1 1 A 39 39 HIS CA C 39 55.211 56.731 -1.520 1
1 395 . 8 1 1 A 39 39 HIS CB C 39 32.669 30.954 1.715 1
1 398 . 8 1 1 A 39 39 HIS N N 39 126.949 126.340 0.609 1
1 399 . 8 1 1 A 40 40 LEU H H 40 8.424 8.134 0.290 1
1 400 . 8 1 1 A 40 40 LEU HA H 40 5.082 5.005 0.077 1
1 410 . 8 1 1 A 40 40 LEU C C 40 176.050 175.677 0.373 1
1 411 . 8 1 1 A 40 40 LEU CA C 40 53.552 53.478 0.074 1
1 412 . 8 1 1 A 40 40 LEU CB C 40 44.019 45.594 -1.575 1
1 416 . 8 1 1 A 40 40 LEU N N 40 122.395 121.208 1.187 1
1 417 . 8 1 1 A 41 41 GLN H H 41 8.972 9.153 -0.181 1
1 418 . 8 1 1 A 41 41 GLN HA H 41 4.723 5.085 -0.362 1
1 425 . 8 1 1 A 41 41 GLN C C 41 175.453 175.148 0.305 1
1 426 . 8 1 1 A 41 41 GLN CA C 41 54.840 54.312 0.528 1
1 427 . 8 1 1 A 41 41 GLN CB C 41 31.946 31.402 0.544 1
1 429 . 8 1 1 A 41 41 GLN N N 41 121.779 121.787 -0.008 1
1 431 . 8 1 1 A 42 42 GLY H H 42 8.739 8.469 0.270 1
1 432 . 8 1 1 A 42 42 GLY HA2 H 42 4.252 4.027 0.225 1
1 433 . 8 1 1 A 42 42 GLY HA3 H 42 4.200 4.045 0.155 1
1 434 . 8 1 1 A 42 42 GLY C C 42 173.938 174.416 -0.478 1
1 435 . 8 1 1 A 42 42 GLY CA C 42 44.746 45.741 -0.995 1
1 436 . 8 1 1 A 42 42 GLY N N 42 112.892 110.753 2.139 1
1 437 . 8 1 1 A 43 43 GLY H H 43 8.709 8.404 0.305 1
1 438 . 8 1 1 A 43 43 GLY HA2 H 43 4.110 3.985 0.125 1
1 439 . 8 1 1 A 43 43 GLY HA3 H 43 3.962 3.987 -0.025 1
1 440 . 8 1 1 A 43 43 GLY C C 43 174.713 175.050 -0.337 1
1 441 . 8 1 1 A 43 43 GLY CA C 43 45.346 44.929 0.417 1
1 442 . 8 1 1 A 43 43 GLY N N 43 108.768 109.985 -1.217 1
1 443 . 8 1 1 A 44 44 SER H H 44 8.369 8.753 -0.384 1
1 444 . 8 1 1 A 44 44 SER C C 44 175.312 174.619 0.693 1
1 445 . 8 1 1 A 44 44 SER CA C 44 58.723 57.915 0.808 1
1 446 . 8 1 1 A 44 44 SER CB C 44 63.924 63.105 0.819 1
1 447 . 8 1 1 A 44 44 SER N N 44 115.582 117.252 -1.670 1
1 448 . 8 1 1 A 45 45 GLN HA H 45 4.346 4.166 0.180 1
1 455 . 8 1 1 A 45 45 GLN C C 45 175.931 178.072 -2.141 1
1 456 . 8 1 1 A 45 45 GLN CA C 45 56.358 58.382 -2.024 1
1 457 . 8 1 1 A 45 45 GLN CB C 45 28.392 28.945 -0.553 1
1 460 . 8 1 1 A 46 46 ASP H H 46 8.053 7.985 0.068 1
1 461 . 8 1 1 A 46 46 ASP HA H 46 4.615 4.436 0.179 1
1 464 . 8 1 1 A 46 46 ASP C C 46 176.998 176.263 0.735 1
1 465 . 8 1 1 A 46 46 ASP CA C 46 54.188 55.872 -1.684 1
1 466 . 8 1 1 A 46 46 ASP CB C 46 41.099 41.201 -0.102 1
1 467 . 8 1 1 A 46 46 ASP N N 46 119.460 116.923 2.537 1
1 468 . 8 1 1 A 47 47 GLY H H 47 8.311 7.850 0.461 1
1 469 . 8 1 1 A 47 47 GLY HA2 H 47 3.970 3.974 -0.004 1
1 470 . 8 1 1 A 47 47 GLY HA3 H 47 3.970 3.983 -0.013 1
1 471 . 8 1 1 A 47 47 GLY C C 47 174.725 176.025 -1.300 1
1 472 . 8 1 1 A 47 47 GLY CA C 47 45.892 45.215 0.677 1
1 473 . 8 1 1 A 47 47 GLY N N 47 109.753 106.901 2.852 1
1 474 . 8 1 1 A 48 48 ARG H H 48 8.300 8.363 -0.063 1
1 475 . 8 1 1 A 48 48 ARG HA H 48 4.308 4.004 0.304 1
1 482 . 8 1 1 A 48 48 ARG C C 48 176.347 177.157 -0.810 1
1 483 . 8 1 1 A 48 48 ARG CA C 48 56.782 59.400 -2.618 1
1 484 . 8 1 1 A 48 48 ARG CB C 48 30.654 30.308 0.346 1
1 487 . 8 1 1 A 48 48 ARG N N 48 119.526 120.504 -0.978 1
1 488 . 8 1 1 A 49 49 LEU H H 49 7.682 7.727 -0.045 1
1 489 . 8 1 1 A 49 49 LEU HA H 49 4.252 3.962 0.290 1
1 499 . 8 1 1 A 49 49 LEU C C 49 174.707 175.470 -0.763 1
1 500 . 8 1 1 A 49 49 LEU CA C 49 53.040 53.708 -0.668 1
1 501 . 8 1 1 A 49 49 LEU CB C 49 41.759 42.221 -0.462 1
1 505 . 8 1 1 A 49 49 LEU N N 49 121.049 120.651 0.398 1
1 506 . 8 1 1 A 50 50 PRO HA H 50 4.392 4.456 -0.064 1
1 513 . 8 1 1 A 50 50 PRO C C 50 175.058 177.814 -2.756 1
1 514 . 8 1 1 A 50 50 PRO CA C 50 62.323 63.184 -0.861 1
1 515 . 8 1 1 A 50 50 PRO CB C 50 31.353 32.012 -0.659 1
1 518 . 8 1 1 A 51 51 ARG H H 51 8.295 8.870 -0.575 1
1 519 . 8 1 1 A 51 51 ARG HA H 51 4.511 3.993 0.518 1
1 526 . 8 1 1 A 51 51 ARG C C 51 177.443 176.361 1.082 1
1 527 . 8 1 1 A 51 51 ARG CA C 51 56.728 59.222 -2.494 1
1 528 . 8 1 1 A 51 51 ARG CB C 51 31.194 30.738 0.456 1
1 531 . 8 1 1 A 51 51 ARG N N 51 119.201 122.325 -3.124 1
1 532 . 8 1 1 A 52 52 THR H H 52 7.372 7.803 -0.431 1
1 533 . 8 1 1 A 52 52 THR HA H 52 4.963 4.684 0.279 1
1 538 . 8 1 1 A 52 52 THR C C 52 173.287 173.875 -0.588 1
1 539 . 8 1 1 A 52 52 THR CA C 52 59.411 60.405 -0.994 1
1 540 . 8 1 1 A 52 52 THR CB C 52 71.632 70.969 0.663 1
1 542 . 8 1 1 A 52 52 THR N N 52 109.591 109.665 -0.074 1
1 543 . 8 1 1 A 53 53 ILE H H 53 8.742 8.711 0.031 1
1 544 . 8 1 1 A 53 53 ILE HA H 53 3.845 4.531 -0.686 1
1 554 . 8 1 1 A 53 53 ILE C C 53 173.374 174.466 -1.092 1
1 555 . 8 1 1 A 53 53 ILE CA C 53 57.735 57.561 0.174 1
1 556 . 8 1 1 A 53 53 ILE CB C 53 41.196 39.191 2.005 1
1 560 . 8 1 1 A 53 53 ILE N N 53 123.236 125.557 -2.321 1
1 561 . 8 1 1 A 54 54 PRO HA H 54 4.541 4.574 -0.033 1
1 568 . 8 1 1 A 54 54 PRO CA C 54 61.292 62.462 -1.170 1
1 569 . 8 1 1 A 54 54 PRO CB C 54 30.119 31.586 -1.467 1
1 572 . 8 1 1 A 55 55 LEU H H 55 8.146 8.480 -0.334 1
1 573 . 8 1 1 A 55 55 LEU HA H 55 4.262 3.884 0.378 1
1 583 . 8 1 1 A 55 55 LEU CA C 55 58.660 59.096 -0.436 1
1 584 . 8 1 1 A 55 55 LEU CB C 55 39.660 39.568 0.092 1
1 588 . 8 1 1 A 55 55 LEU N N 55 127.224 123.917 3.307 1
1 589 . 8 1 1 A 56 56 PRO HA H 56 4.630 4.402 0.228 1
1 596 . 8 1 1 A 56 56 PRO C C 56 177.498 178.037 -0.539 1
1 597 . 8 1 1 A 56 56 PRO CA C 56 65.782 65.162 0.620 1
1 598 . 8 1 1 A 56 56 PRO CB C 56 31.188 31.508 -0.320 1
1 601 . 8 1 1 A 57 57 SER H H 57 7.722 7.800 -0.078 1
1 602 . 8 1 1 A 57 57 SER HA H 57 4.723 4.766 -0.043 1
1 605 . 8 1 1 A 57 57 SER C C 57 174.102 174.047 0.055 1
1 606 . 8 1 1 A 57 57 SER CA C 57 58.423 58.710 -0.287 1
1 607 . 8 1 1 A 57 57 SER CB C 57 63.924 65.046 -1.122 1
1 608 . 8 1 1 A 57 57 SER N N 57 110.169 111.252 -1.083 1
1 609 . 8 1 1 A 58 58 CYS H H 58 8.002 7.424 0.578 1
1 610 . 8 1 1 A 58 58 CYS HA H 58 5.282 4.424 0.858 1
1 613 . 8 1 1 A 58 58 CYS C C 58 174.525 174.868 -0.343 1
1 614 . 8 1 1 A 58 58 CYS CA C 58 59.447 60.026 -0.579 1
1 615 . 8 1 1 A 58 58 CYS CB C 58 29.594 27.976 1.618 1
1 616 . 8 1 1 A 58 58 CYS N N 58 118.902 118.127 0.775 1
1 617 . 8 1 1 A 59 59 LYS H H 59 9.242 8.877 0.365 1
1 618 . 8 1 1 A 59 59 LYS HA H 59 4.777 4.815 -0.038 1
1 627 . 8 1 1 A 59 59 LYS C C 59 175.947 175.540 0.407 1
1 628 . 8 1 1 A 59 59 LYS CA C 59 55.299 55.248 0.051 1
1 629 . 8 1 1 A 59 59 LYS CB C 59 34.561 34.036 0.525 1
1 633 . 8 1 1 A 59 59 LYS N N 59 122.306 124.498 -2.192 1
1 634 . 8 1 1 A 60 60 LEU H H 60 9.030 8.971 0.059 1
1 635 . 8 1 1 A 60 60 LEU HA H 60 5.543 4.682 0.861 1
1 645 . 8 1 1 A 60 60 LEU C C 60 176.239 176.071 0.168 1
1 646 . 8 1 1 A 60 60 LEU CA C 60 53.958 54.496 -0.538 1
1 647 . 8 1 1 A 60 60 LEU CB C 60 44.454 42.125 2.329 1
1 651 . 8 1 1 A 60 60 LEU N N 60 129.520 125.980 3.540 1
1 652 . 8 1 1 A 61 61 SER H H 61 9.077 8.469 0.608 1
1 653 . 8 1 1 A 61 61 SER HA H 61 4.832 5.250 -0.418 1
1 656 . 8 1 1 A 61 61 SER C C 61 172.173 173.155 -0.982 1
1 657 . 8 1 1 A 61 61 SER CA C 61 57.558 57.073 0.485 1
1 658 . 8 1 1 A 61 61 SER CB C 61 65.692 65.967 -0.275 1
1 659 . 8 1 1 A 61 61 SER N N 61 117.374 119.076 -1.702 1
1 660 . 8 1 1 A 62 62 VAL H H 62 8.784 8.933 -0.149 1
1 661 . 8 1 1 A 62 62 VAL HA H 62 4.927 4.672 0.255 1
1 669 . 8 1 1 A 62 62 VAL C C 62 174.367 174.520 -0.153 1
1 670 . 8 1 1 A 62 62 VAL CA C 62 59.782 58.732 1.050 1
1 671 . 8 1 1 A 62 62 VAL CB C 62 33.518 34.641 -1.123 1
1 674 . 8 1 1 A 62 62 VAL N N 62 119.929 123.834 -3.905 1
1 675 . 8 1 1 A 63 63 PRO HA H 63 4.495 4.728 -0.233 1
1 682 . 8 1 1 A 63 63 PRO CA C 63 62.526 62.375 0.151 1
1 683 . 8 1 1 A 63 63 PRO CB C 63 32.504 32.982 -0.478 1
1 686 . 8 1 1 A 64 64 ASP H H 64 8.762 8.521 0.241 1
1 687 . 8 1 1 A 64 64 ASP HA H 64 4.780 5.201 -0.421 1
1 690 . 8 1 1 A 64 64 ASP CA C 64 53.231 51.139 2.092 1
1 691 . 8 1 1 A 64 64 ASP CB C 64 41.105 41.598 -0.493 1
1 692 . 8 1 1 A 64 64 ASP N N 64 123.527 120.648 2.879 1
1 693 . 8 1 1 A 65 65 PRO HA H 65 4.371 4.310 0.061 1
1 700 . 8 1 1 A 65 65 PRO C C 65 178.309 178.449 -0.140 1
1 701 . 8 1 1 A 65 65 PRO CA C 65 64.829 65.650 -0.821 1
1 702 . 8 1 1 A 65 65 PRO CB C 65 32.136 31.801 0.335 1
1 705 . 8 1 1 A 66 66 GLU H H 66 8.890 8.534 0.356 1
1 706 . 8 1 1 A 66 66 GLU HA H 66 4.129 4.073 0.056 1
1 711 . 8 1 1 A 66 66 GLU C C 66 177.222 177.597 -0.375 1
1 712 . 8 1 1 A 66 66 GLU CA C 66 57.805 59.837 -2.032 1
1 713 . 8 1 1 A 66 66 GLU CB C 66 29.334 29.219 0.115 1
1 715 . 8 1 1 A 66 66 GLU N N 66 117.225 117.411 -0.186 1
1 716 . 8 1 1 A 67 67 GLU H H 67 7.971 8.124 -0.153 1
1 717 . 8 1 1 A 67 67 GLU HA H 67 4.136 4.358 -0.222 1
1 722 . 8 1 1 A 67 67 GLU C C 67 176.058 176.758 -0.700 1
1 723 . 8 1 1 A 67 67 GLU CA C 67 57.328 56.966 0.362 1
1 724 . 8 1 1 A 67 67 GLU CB C 67 29.594 30.675 -1.081 1
1 726 . 8 1 1 A 67 67 GLU N N 67 119.516 119.174 0.342 1
1 727 . 8 1 1 A 68 68 ARG H H 68 8.020 8.542 -0.522 1
1 728 . 8 1 1 A 68 68 ARG HA H 68 4.043 4.627 -0.584 1
1 735 . 8 1 1 A 68 68 ARG C C 68 175.591 175.439 0.152 1
1 736 . 8 1 1 A 68 68 ARG CA C 68 56.075 55.144 0.931 1
1 737 . 8 1 1 A 68 68 ARG CB C 68 28.927 29.900 -0.973 1
1 740 . 8 1 1 A 68 68 ARG N N 68 118.917 120.464 -1.547 1
1 741 . 8 1 1 A 69 69 LEU H H 69 8.188 7.293 0.895 1
1 742 . 8 1 1 A 69 69 LEU HA H 69 4.372 4.530 -0.158 1
1 752 . 8 1 1 A 69 69 LEU C C 69 176.013 176.316 -0.303 1
1 753 . 8 1 1 A 69 69 LEU CA C 69 54.682 54.553 0.129 1
1 754 . 8 1 1 A 69 69 LEU CB C 69 43.238 42.074 1.164 1
1 758 . 8 1 1 A 69 69 LEU N N 69 122.935 121.332 1.603 1
1 759 . 8 1 1 A 70 70 ASP H H 70 8.382 8.594 -0.212 1
1 760 . 8 1 1 A 70 70 ASP HA H 70 4.123 4.670 -0.547 1
1 763 . 8 1 1 A 70 70 ASP C C 70 175.200 176.234 -1.034 1
1 764 . 8 1 1 A 70 70 ASP CA C 70 54.558 55.672 -1.114 1
1 765 . 8 1 1 A 70 70 ASP CB C 70 40.634 41.342 -0.708 1
1 766 . 8 1 1 A 70 70 ASP N N 70 119.400 119.927 -0.527 1
1 767 . 8 1 1 A 71 71 SER H H 71 7.391 7.071 0.320 1
1 768 . 8 1 1 A 71 71 SER HA H 71 4.233 4.254 -0.021 1
1 771 . 8 1 1 A 71 71 SER C C 71 174.294 174.870 -0.576 1
1 772 . 8 1 1 A 71 71 SER CA C 71 58.017 57.622 0.395 1
1 773 . 8 1 1 A 71 71 SER CB C 71 63.430 64.359 -0.929 1
1 774 . 8 1 1 A 71 71 SER N N 71 114.807 112.958 1.849 1
1 775 . 8 1 1 A 72 72 GLY H H 72 7.981 8.137 -0.156 1
1 776 . 8 1 1 A 72 72 GLY HA2 H 72 3.702 3.610 0.092 1
1 777 . 8 1 1 A 72 72 GLY HA3 H 72 3.610 3.771 -0.161 1
1 778 . 8 1 1 A 72 72 GLY C C 72 172.912 173.413 -0.501 1
1 779 . 8 1 1 A 72 72 GLY CA C 72 44.675 45.498 -0.823 1
1 780 . 8 1 1 A 72 72 GLY N N 72 108.675 108.785 -0.110 1
1 781 . 8 1 1 A 73 73 HIS H H 73 8.462 7.904 0.558 1
1 782 . 8 1 1 A 73 73 HIS HA H 73 4.859 5.215 -0.356 1
1 787 . 8 1 1 A 73 73 HIS C C 73 174.804 173.828 0.976 1
1 788 . 8 1 1 A 73 73 HIS CA C 73 54.700 54.133 0.567 1
1 789 . 8 1 1 A 73 73 HIS CB C 73 28.762 31.215 -2.453 1
1 792 . 8 1 1 A 73 73 HIS N N 73 122.843 118.666 4.177 1
1 793 . 8 1 1 A 74 74 VAL H H 74 7.682 8.801 -1.119 1
1 794 . 8 1 1 A 74 74 VAL HA H 74 5.402 4.830 0.572 1
1 802 . 8 1 1 A 74 74 VAL C C 74 176.121 173.988 2.133 1
1 803 . 8 1 1 A 74 74 VAL CA C 74 61.246 60.230 1.016 1
1 804 . 8 1 1 A 74 74 VAL CB C 74 35.383 35.650 -0.267 1
1 807 . 8 1 1 A 74 74 VAL N N 74 120.824 121.421 -0.597 1
1 808 . 8 1 1 A 75 75 TRP H H 75 9.581 8.435 1.146 1
1 809 . 8 1 1 A 75 75 TRP HA H 75 5.342 5.949 -0.607 1
1 818 . 8 1 1 A 75 75 TRP C C 75 171.123 173.651 -2.528 1
1 819 . 8 1 1 A 75 75 TRP CA C 75 57.046 54.559 2.487 1
1 820 . 8 1 1 A 75 75 TRP CB C 75 32.834 32.925 -0.091 1
1 826 . 8 1 1 A 75 75 TRP N N 75 124.656 123.284 1.372 1
1 828 . 8 1 1 A 76 76 LYS H H 76 9.557 9.430 0.127 1
1 829 . 8 1 1 A 76 76 LYS HA H 76 5.192 4.955 0.237 1
1 838 . 8 1 1 A 76 76 LYS C C 76 174.801 174.962 -0.161 1
1 839 . 8 1 1 A 76 76 LYS CA C 76 54.876 54.522 0.354 1
1 840 . 8 1 1 A 76 76 LYS CB C 76 36.740 35.392 1.348 1
1 844 . 8 1 1 A 76 76 LYS N N 76 121.724 120.903 0.821 1
1 845 . 8 1 1 A 77 77 LEU H H 77 8.957 8.525 0.432 1
1 846 . 8 1 1 A 77 77 LEU HA H 77 5.272 5.350 -0.078 1
1 856 . 8 1 1 A 77 77 LEU C C 77 174.927 175.018 -0.091 1
1 857 . 8 1 1 A 77 77 LEU CA C 77 54.046 54.339 -0.293 1
1 858 . 8 1 1 A 77 77 LEU CB C 77 46.281 44.728 1.553 1
1 862 . 8 1 1 A 77 77 LEU N N 77 124.578 125.199 -0.621 1
1 863 . 8 1 1 A 78 78 GLN H H 78 8.629 8.643 -0.014 1
1 864 . 8 1 1 A 78 78 GLN HA H 78 5.308 5.534 -0.226 1
1 871 . 8 1 1 A 78 78 GLN C C 78 174.564 174.748 -0.184 1
1 872 . 8 1 1 A 78 78 GLN CA C 78 54.452 54.475 -0.023 1
1 873 . 8 1 1 A 78 78 GLN CB C 78 32.833 31.428 1.405 1
1 875 . 8 1 1 A 78 78 GLN N N 78 121.344 125.164 -3.820 1
1 877 . 8 1 1 A 79 79 TRP H H 79 8.601 8.271 0.330 1
1 878 . 8 1 1 A 79 79 TRP HA H 79 5.003 4.994 0.009 1
1 887 . 8 1 1 A 79 79 TRP C C 79 173.001 174.085 -1.084 1
1 888 . 8 1 1 A 79 79 TRP CA C 79 56.323 56.675 -0.352 1
1 889 . 8 1 1 A 79 79 TRP CB C 79 32.258 31.569 0.689 1
1 895 . 8 1 1 A 79 79 TRP N N 79 128.274 123.550 4.724 1
1 897 . 8 1 1 A 80 80 ALA H H 80 9.181 9.321 -0.140 1
1 898 . 8 1 1 A 80 80 ALA HA H 80 3.933 3.908 0.025 1
1 902 . 8 1 1 A 80 80 ALA C C 80 177.360 176.313 1.047 1
1 903 . 8 1 1 A 80 80 ALA CA C 80 54.222 53.210 1.012 1
1 904 . 8 1 1 A 80 80 ALA CB C 80 17.329 17.220 0.109 1
1 905 . 8 1 1 A 80 80 ALA N N 80 126.348 121.621 4.727 1
1 906 . 8 1 1 A 81 81 LYS H H 81 8.163 8.397 -0.234 1
1 907 . 8 1 1 A 81 81 LYS HA H 81 4.290 3.713 0.577 1
1 916 . 8 1 1 A 81 81 LYS C C 81 176.068 174.557 1.511 1
1 917 . 8 1 1 A 81 81 LYS CA C 81 56.305 57.361 -1.056 1
1 918 . 8 1 1 A 81 81 LYS CB C 81 31.312 29.342 1.970 1
1 922 . 8 1 1 A 81 81 LYS N N 81 120.289 107.364 12.925 1
1 923 . 8 1 1 A 82 82 GLN H H 82 8.423 7.621 0.802 1
1 924 . 8 1 1 A 82 82 GLN HA H 82 4.255 4.745 -0.490 1
1 931 . 8 1 1 A 82 82 GLN C C 82 174.996 174.269 0.727 1
1 932 . 8 1 1 A 82 82 GLN CA C 82 54.805 53.796 1.009 1
1 933 . 8 1 1 A 82 82 GLN CB C 82 30.942 32.461 -1.519 1
1 935 . 8 1 1 A 82 82 GLN N N 82 119.918 116.445 3.473 1
1 937 . 8 1 1 A 83 83 SER H H 83 7.683 8.235 -0.552 1
1 938 . 8 1 1 A 83 83 SER HA H 83 4.991 5.481 -0.490 1
1 941 . 8 1 1 A 83 83 SER C C 83 171.947 172.686 -0.739 1
1 942 . 8 1 1 A 83 83 SER CA C 83 57.629 56.923 0.706 1
1 943 . 8 1 1 A 83 83 SER CB C 83 64.664 65.844 -1.180 1
1 944 . 8 1 1 A 83 83 SER N N 83 115.649 113.081 2.568 1
1 945 . 8 1 1 A 84 84 TRP H H 84 8.665 8.581 0.084 1
1 946 . 8 1 1 A 84 84 TRP HA H 84 4.714 4.950 -0.236 1
1 955 . 8 1 1 A 84 84 TRP C C 84 174.105 174.592 -0.487 1
1 956 . 8 1 1 A 84 84 TRP CA C 84 56.834 55.947 0.887 1
1 957 . 8 1 1 A 84 84 TRP CB C 84 33.368 33.447 -0.079 1
1 963 . 8 1 1 A 84 84 TRP N N 84 122.334 123.118 -0.784 1
1 965 . 8 1 1 A 85 85 TYR H H 85 9.220 9.078 0.142 1
1 966 . 8 1 1 A 85 85 TYR HA H 85 5.209 5.249 -0.040 1
1 973 . 8 1 1 A 85 85 TYR C C 85 175.136 175.318 -0.182 1
1 974 . 8 1 1 A 85 85 TYR CA C 85 56.993 57.088 -0.095 1
1 975 . 8 1 1 A 85 85 TYR CB C 85 41.058 41.240 -0.182 1
1 980 . 8 1 1 A 85 85 TYR N N 85 117.934 122.248 -4.314 1
1 981 . 8 1 1 A 86 86 LEU H H 86 8.662 8.511 0.151 1
1 982 . 8 1 1 A 86 86 LEU HA H 86 5.172 4.832 0.340 1
1 992 . 8 1 1 A 86 86 LEU C C 86 174.454 174.403 0.051 1
1 993 . 8 1 1 A 86 86 LEU CA C 86 53.587 53.719 -0.132 1
1 994 . 8 1 1 A 86 86 LEU CB C 86 43.773 43.557 0.216 1
1 998 . 8 1 1 A 86 86 LEU N N 86 121.945 122.886 -0.941 1
1 999 . 8 1 1 A 87 87 SER H H 87 8.642 8.748 -0.106 1
1 1000 . 8 1 1 A 87 87 SER HA H 87 4.995 5.053 -0.058 1
1 1003 . 8 1 1 A 87 87 SER C C 87 173.683 173.337 0.346 1
1 1004 . 8 1 1 A 87 87 SER CA C 87 55.052 56.808 -1.756 1
1 1005 . 8 1 1 A 87 87 SER CB C 87 65.487 63.885 1.602 1
1 1006 . 8 1 1 A 87 87 SER N N 87 111.719 121.017 -9.298 1
1 1007 . 8 1 1 A 88 88 ALA H H 88 8.472 8.661 -0.189 1
1 1008 . 8 1 1 A 88 88 ALA HA H 88 5.184 4.746 0.438 1
1 1012 . 8 1 1 A 88 88 ALA C C 88 178.012 178.400 -0.388 1
1 1013 . 8 1 1 A 88 88 ALA CA C 88 49.423 50.432 -1.009 1
1 1014 . 8 1 1 A 88 88 ALA CB C 88 22.919 21.005 1.914 1
1 1015 . 8 1 1 A 88 88 ALA N N 88 126.939 130.168 -3.229 1
1 1016 . 8 1 1 A 89 89 SER H H 89 8.182 8.722 -0.540 1
1 1017 . 8 1 1 A 89 89 SER HA H 89 4.274 4.164 0.110 1
1 1020 . 8 1 1 A 89 89 SER C C 89 174.039 174.419 -0.380 1
1 1021 . 8 1 1 A 89 89 SER CA C 89 60.135 61.659 -1.524 1
1 1022 . 8 1 1 A 89 89 SER CB C 89 63.571 63.117 0.454 1
1 1023 . 8 1 1 A 89 89 SER N N 89 111.359 117.368 -6.009 1
1 1024 . 8 1 1 A 90 90 SER H H 90 7.392 7.805 -0.413 1
1 1025 . 8 1 1 A 90 90 SER HA H 90 4.383 4.247 0.136 1
1 1028 . 8 1 1 A 90 90 SER C C 90 173.114 173.795 -0.681 1
1 1029 . 8 1 1 A 90 90 SER CA C 90 56.023 56.978 -0.955 1
1 1030 . 8 1 1 A 90 90 SER CB C 90 67.108 64.669 2.439 1
1 1031 . 8 1 1 A 90 90 SER N N 90 113.112 112.163 0.949 1
1 1032 . 8 1 1 A 91 91 ALA H H 91 8.532 8.241 0.291 1
1 1033 . 8 1 1 A 91 91 ALA HA H 91 3.763 3.927 -0.164 1
1 1037 . 8 1 1 A 91 91 ALA C C 91 179.816 179.638 0.178 1
1 1038 . 8 1 1 A 91 91 ALA CA C 91 54.699 54.984 -0.285 1
1 1039 . 8 1 1 A 91 91 ALA CB C 91 18.111 17.694 0.417 1
1 1040 . 8 1 1 A 91 91 ALA N N 91 123.767 122.448 1.319 1
1 1041 . 8 1 1 A 92 92 GLU H H 92 8.766 8.092 0.674 1
1 1042 . 8 1 1 A 92 92 GLU HA H 92 3.942 3.978 -0.036 1
1 1047 . 8 1 1 A 92 92 GLU C C 92 179.568 178.568 1.000 1
1 1048 . 8 1 1 A 92 92 GLU CA C 92 60.206 59.324 0.882 1
1 1049 . 8 1 1 A 92 92 GLU CB C 92 28.721 29.204 -0.483 1
1 1051 . 8 1 1 A 92 92 GLU N N 92 118.712 118.814 -0.102 1
1 1052 . 8 1 1 A 93 93 LEU H H 93 7.852 7.777 0.075 1
1 1053 . 8 1 1 A 93 93 LEU HA H 93 4.274 4.229 0.045 1
1 1063 . 8 1 1 A 93 93 LEU C C 93 178.805 178.444 0.361 1
1 1064 . 8 1 1 A 93 93 LEU CA C 93 57.382 56.804 0.578 1
1 1065 . 8 1 1 A 93 93 LEU CB C 93 43.115 42.003 1.112 1
1 1069 . 8 1 1 A 93 93 LEU N N 93 121.212 121.229 -0.017 1
1 1070 . 8 1 1 A 94 94 GLN H H 94 8.080 8.071 0.009 1
1 1071 . 8 1 1 A 94 94 GLN HA H 94 3.843 4.307 -0.464 1
1 1078 . 8 1 1 A 94 94 GLN C C 94 176.960 178.125 -1.165 1
1 1079 . 8 1 1 A 94 94 GLN CA C 94 59.694 59.289 0.405 1
1 1080 . 8 1 1 A 94 94 GLN CB C 94 28.063 28.883 -0.820 1
1 1082 . 8 1 1 A 94 94 GLN N N 94 120.439 119.319 1.120 1
1 1084 . 8 1 1 A 95 95 GLN H H 95 8.293 8.308 -0.015 1
1 1085 . 8 1 1 A 95 95 GLN HA H 95 3.779 4.004 -0.225 1
1 1092 . 8 1 1 A 95 95 GLN C C 95 177.938 177.776 0.162 1
1 1093 . 8 1 1 A 95 95 GLN CA C 95 59.005 58.787 0.218 1
1 1094 . 8 1 1 A 95 95 GLN CB C 95 27.610 28.352 -0.742 1
1 1096 . 8 1 1 A 95 95 GLN N N 95 117.408 117.110 0.298 1
1 1098 . 8 1 1 A 96 96 GLN H H 96 7.731 8.346 -0.615 1
1 1099 . 8 1 1 A 96 96 GLN HA H 96 3.966 3.989 -0.023 1
1 1106 . 8 1 1 A 96 96 GLN C C 96 179.685 177.516 2.169 1
1 1107 . 8 1 1 A 96 96 GLN CA C 96 58.987 58.060 0.927 1
1 1108 . 8 1 1 A 96 96 GLN CB C 96 28.433 28.174 0.259 1
1 1110 . 8 1 1 A 96 96 GLN N N 96 119.621 117.524 2.097 1
1 1112 . 8 1 1 A 97 97 TRP H H 97 8.410 7.326 1.084 1
1 1113 . 8 1 1 A 97 97 TRP HA H 97 3.792 4.393 -0.601 1
1 1122 . 8 1 1 A 97 97 TRP C C 97 178.515 178.826 -0.311 1
1 1123 . 8 1 1 A 97 97 TRP CA C 97 61.670 59.663 2.007 1
1 1124 . 8 1 1 A 97 97 TRP CB C 97 29.972 29.728 0.244 1
1 1130 . 8 1 1 A 97 97 TRP N N 97 121.370 120.029 1.341 1
1 1132 . 8 1 1 A 98 98 LEU H H 98 8.505 8.234 0.271 1
1 1133 . 8 1 1 A 98 98 LEU HA H 98 3.485 3.550 -0.065 1
1 1143 . 8 1 1 A 98 98 LEU C C 98 180.194 178.896 1.298 1
1 1144 . 8 1 1 A 98 98 LEU CA C 98 58.706 57.621 1.085 1
1 1145 . 8 1 1 A 98 98 LEU CB C 98 41.141 41.014 0.127 1
1 1149 . 8 1 1 A 98 98 LEU N N 98 119.038 120.002 -0.964 1
1 1150 . 8 1 1 A 99 99 GLU H H 99 8.241 8.500 -0.259 1
1 1151 . 8 1 1 A 99 99 GLU HA H 99 3.927 3.920 0.007 1
1 1156 . 8 1 1 A 99 99 GLU C C 99 179.082 179.193 -0.111 1
1 1157 . 8 1 1 A 99 99 GLU CA C 99 59.587 59.145 0.442 1
1 1158 . 8 1 1 A 99 99 GLU CB C 99 29.296 29.385 -0.089 1
1 1160 . 8 1 1 A 99 99 GLU N N 99 119.886 118.884 1.002 1
1 1161 . 8 1 1 A 100 100 THR H H 100 7.780 7.738 0.042 1
1 1162 . 8 1 1 A 100 100 THR HA H 100 3.862 4.138 -0.276 1
1 1167 . 8 1 1 A 100 100 THR C C 100 176.899 176.340 0.559 1
1 1168 . 8 1 1 A 100 100 THR CA C 100 67.088 68.020 -0.932 1
1 1169 . 8 1 1 A 100 100 THR CB C 100 68.178 67.859 0.319 1
1 1171 . 8 1 1 A 100 100 THR N N 100 116.913 115.317 1.596 1
1 1172 . 8 1 1 A 101 101 LEU H H 101 9.159 8.142 1.017 1
1 1173 . 8 1 1 A 101 101 LEU HA H 101 3.993 3.813 0.180 1
1 1183 . 8 1 1 A 101 101 LEU C C 101 178.416 178.798 -0.382 1
1 1184 . 8 1 1 A 101 101 LEU CA C 101 58.017 58.056 -0.039 1
1 1185 . 8 1 1 A 101 101 LEU CB C 101 42.004 42.002 0.002 1
1 1189 . 8 1 1 A 101 101 LEU N N 101 121.065 121.816 -0.751 1
1 1190 . 8 1 1 A 102 102 SER H H 102 7.978 8.019 -0.041 1
1 1191 . 8 1 1 A 102 102 SER HA H 102 4.094 3.995 0.099 1
1 1194 . 8 1 1 A 102 102 SER C C 102 176.370 177.149 -0.779 1
1 1195 . 8 1 1 A 102 102 SER CA C 102 61.794 61.408 0.386 1
1 1196 . 8 1 1 A 102 102 SER CB C 102 62.855 62.879 -0.024 1
1 1197 . 8 1 1 A 102 102 SER N N 102 112.923 113.292 -0.369 1
1 1198 . 8 1 1 A 103 103 THR H H 103 7.683 8.367 -0.684 1
1 1199 . 8 1 1 A 103 103 THR HA H 103 4.020 3.684 0.336 1
1 1204 . 8 1 1 A 103 103 THR C C 103 176.061 176.257 -0.196 1
1 1205 . 8 1 1 A 103 103 THR CA C 103 65.412 66.342 -0.930 1
1 1206 . 8 1 1 A 103 103 THR CB C 103 68.918 68.652 0.266 1
1 1208 . 8 1 1 A 103 103 THR N N 103 116.420 117.336 -0.916 1
1 1209 . 8 1 1 A 104 104 ALA H H 104 7.760 7.628 0.132 1
1 1210 . 8 1 1 A 104 104 ALA HA H 104 4.272 4.218 0.054 1
1 1214 . 8 1 1 A 104 104 ALA C C 104 178.160 177.816 0.344 1
1 1215 . 8 1 1 A 104 104 ALA CA C 104 54.011 53.181 0.830 1
1 1216 . 8 1 1 A 104 104 ALA CB C 104 20.155 18.693 1.462 1
1 1217 . 8 1 1 A 104 104 ALA N N 104 123.981 123.834 0.147 1
1 1218 . 8 1 1 A 105 105 ALA H H 105 7.824 7.945 -0.121 1
1 1219 . 8 1 1 A 105 105 ALA HA H 105 4.092 4.576 -0.484 1
1 1223 . 8 1 1 A 105 105 ALA C C 105 177.657 177.292 0.365 1
1 1224 . 8 1 1 A 105 105 ALA CA C 105 53.058 51.571 1.487 1
1 1225 . 8 1 1 A 105 105 ALA CB C 105 19.067 19.302 -0.235 1
1 1226 . 8 1 1 A 105 105 ALA N N 105 118.227 119.787 -1.560 1
1 1227 . 8 1 1 A 106 106 HIS H H 106 7.675 7.454 0.221 1
1 1228 . 8 1 1 A 106 106 HIS HA H 106 4.703 4.660 0.043 1
1 1233 . 8 1 1 A 106 106 HIS C C 106 175.296 174.885 0.411 1
1 1234 . 8 1 1 A 106 106 HIS CA C 106 56.287 57.151 -0.864 1
1 1235 . 8 1 1 A 106 106 HIS CB C 106 30.407 31.922 -1.515 1
1 1238 . 8 1 1 A 106 106 HIS N N 106 115.860 116.384 -0.524 1
1 1239 . 8 1 1 A 107 107 SER H H 107 8.015 7.961 0.054 1
1 1240 . 8 1 1 A 107 107 SER HA H 107 4.560 4.748 -0.188 1
1 1243 . 8 1 1 A 107 107 SER C C 107 174.345 174.364 -0.019 1
1 1244 . 8 1 1 A 107 107 SER CA C 107 58.546 56.959 1.587 1
1 1245 . 8 1 1 A 107 107 SER CB C 107 64.130 66.006 -1.876 1
1 1246 . 8 1 1 A 107 107 SER N N 107 116.310 114.526 1.784 1
1 1247 . 8 1 1 A 108 108 GLY H H 108 8.282 8.422 -0.140 1
1 1248 . 8 1 1 A 108 108 GLY HA2 H 108 4.213 4.193 0.020 1
1 1249 . 8 1 1 A 108 108 GLY HA3 H 108 4.042 4.193 -0.151 1
1 1250 . 8 1 1 A 108 108 GLY C C 108 171.750 174.254 -2.504 1
1 1251 . 8 1 1 A 108 108 GLY CA C 108 44.640 44.813 -0.173 1
1 1252 . 8 1 1 A 108 108 GLY N N 108 110.511 109.665 0.846 1
1 1253 . 8 1 1 A 109 109 PRO HA H 109 4.497 4.616 -0.119 1
1 1260 . 8 1 1 A 109 109 PRO C C 109 177.419 176.189 1.230 1
1 1261 . 8 1 1 A 109 109 PRO CA C 109 63.241 62.884 0.357 1
1 1262 . 8 1 1 A 109 109 PRO CB C 109 32.264 29.689 2.575 1
1 1265 . 8 1 1 A 110 110 SER H H 110 8.558 8.158 0.400 1
1 1266 . 8 1 1 A 110 110 SER C C 110 174.715 174.352 0.363 1
1 1267 . 8 1 1 A 110 110 SER CA C 110 58.335 59.315 -0.980 1
1 1268 . 8 1 1 A 110 110 SER CB C 110 63.759 64.343 -0.584 1
1 1269 . 8 1 1 A 110 110 SER N N 110 116.470 118.165 -1.695 1
1 1270 . 8 1 1 A 111 111 SER H H 111 8.357 8.775 -0.418 1
1 1271 . 8 1 1 A 111 111 SER C C 111 173.931 173.770 0.161 1
1 1272 . 8 1 1 A 111 111 SER CA C 111 58.335 57.335 1.000 1
1 1 . 9 1 1 A 8 8 SER HA H 8 5.012 4.883 0.129 1
1 4 . 9 1 1 A 8 8 SER CA C 8 58.166 57.761 0.405 1
1 5 . 9 1 1 A 8 8 SER CB C 8 64.582 65.191 -0.609 1
1 6 . 9 1 1 A 9 9 LEU H H 9 9.253 8.201 1.052 1
1 7 . 9 1 1 A 9 9 LEU HA H 9 4.091 3.919 0.172 1
1 17 . 9 1 1 A 9 9 LEU C C 9 176.799 176.634 0.165 1
1 18 . 9 1 1 A 9 9 LEU CA C 9 57.523 57.970 -0.447 1
1 19 . 9 1 1 A 9 9 LEU CB C 9 42.703 42.011 0.692 1
1 23 . 9 1 1 A 9 9 LEU N N 9 127.432 127.159 0.273 1
1 24 . 9 1 1 A 10 10 LEU H H 10 6.827 7.703 -0.876 1
1 25 . 9 1 1 A 10 10 LEU HA H 10 4.201 4.567 -0.366 1
1 35 . 9 1 1 A 10 10 LEU C C 10 173.779 174.367 -0.588 1
1 36 . 9 1 1 A 10 10 LEU CA C 10 54.399 54.285 0.114 1
1 37 . 9 1 1 A 10 10 LEU CB C 10 45.006 45.438 -0.432 1
1 41 . 9 1 1 A 10 10 LEU N N 10 116.105 117.471 -1.366 1
1 42 . 9 1 1 A 11 11 CYS H H 11 7.989 8.954 -0.965 1
1 43 . 9 1 1 A 11 11 CYS HA H 11 5.743 5.262 0.481 1
1 46 . 9 1 1 A 11 11 CYS C C 11 172.654 173.190 -0.536 1
1 47 . 9 1 1 A 11 11 CYS CA C 11 55.546 57.255 -1.709 1
1 48 . 9 1 1 A 11 11 CYS CB C 11 31.333 31.355 -0.022 1
1 49 . 9 1 1 A 11 11 CYS N N 11 117.939 123.299 -5.360 1
1 50 . 9 1 1 A 12 12 GLY H H 12 8.479 7.324 1.155 1
1 51 . 9 1 1 A 12 12 GLY HA2 H 12 4.419 3.838 0.581 1
1 52 . 9 1 1 A 12 12 GLY HA3 H 12 2.832 4.127 -1.295 1
1 53 . 9 1 1 A 12 12 GLY C C 12 168.720 171.802 -3.082 1
1 54 . 9 1 1 A 12 12 GLY CA C 12 44.710 44.692 0.018 1
1 55 . 9 1 1 A 12 12 GLY N N 12 109.046 106.745 2.301 1
1 56 . 9 1 1 A 13 13 PRO HA H 13 5.163 4.483 0.680 1
1 63 . 9 1 1 A 13 13 PRO C C 13 177.501 175.079 2.422 1
1 64 . 9 1 1 A 13 13 PRO CA C 13 62.182 63.133 -0.951 1
1 65 . 9 1 1 A 13 13 PRO CB C 13 32.587 32.477 0.110 1
1 68 . 9 1 1 A 14 14 LEU H H 14 8.630 8.564 0.066 1
1 69 . 9 1 1 A 14 14 LEU HA H 14 4.764 4.868 -0.104 1
1 79 . 9 1 1 A 14 14 LEU C C 14 175.698 174.049 1.649 1
1 80 . 9 1 1 A 14 14 LEU CA C 14 53.975 52.841 1.134 1
1 81 . 9 1 1 A 14 14 LEU CB C 14 48.936 44.316 4.620 1
1 85 . 9 1 1 A 14 14 LEU N N 14 122.246 123.278 -1.032 1
1 86 . 9 1 1 A 15 15 ARG H H 15 8.498 7.832 0.666 1
1 87 . 9 1 1 A 15 15 ARG HA H 15 5.421 5.370 0.051 1
1 95 . 9 1 1 A 15 15 ARG C C 15 174.664 174.701 -0.037 1
1 96 . 9 1 1 A 15 15 ARG CA C 15 54.858 54.385 0.473 1
1 97 . 9 1 1 A 15 15 ARG CB C 15 34.085 33.872 0.213 1
1 100 . 9 1 1 A 15 15 ARG N N 15 118.593 122.228 -3.635 1
1 102 . 9 1 1 A 16 16 LEU H H 16 9.244 8.894 0.350 1
1 103 . 9 1 1 A 16 16 LEU HA H 16 5.662 5.474 0.188 1
1 113 . 9 1 1 A 16 16 LEU C C 16 176.872 175.196 1.676 1
1 114 . 9 1 1 A 16 16 LEU CA C 16 53.746 53.902 -0.156 1
1 115 . 9 1 1 A 16 16 LEU CB C 16 47.803 46.310 1.493 1
1 119 . 9 1 1 A 16 16 LEU N N 16 123.893 124.874 -0.981 1
1 120 . 9 1 1 A 17 17 SER H H 17 8.982 8.536 0.446 1
1 121 . 9 1 1 A 17 17 SER HA H 17 4.484 5.234 -0.750 1
1 124 . 9 1 1 A 17 17 SER C C 17 173.790 172.694 1.096 1
1 125 . 9 1 1 A 17 17 SER CA C 17 57.081 56.614 0.467 1
1 126 . 9 1 1 A 17 17 SER CB C 17 64.487 65.213 -0.726 1
1 127 . 9 1 1 A 17 17 SER N N 17 117.455 119.725 -2.270 1
1 128 . 9 1 1 A 18 18 GLU H H 18 9.102 8.652 0.450 1
1 129 . 9 1 1 A 18 18 GLU HA H 18 3.832 4.531 -0.699 1
1 134 . 9 1 1 A 18 18 GLU C C 18 176.185 176.341 -0.156 1
1 135 . 9 1 1 A 18 18 GLU CA C 18 58.793 55.333 3.460 1
1 136 . 9 1 1 A 18 18 GLU CB C 18 30.037 29.704 0.333 1
1 138 . 9 1 1 A 18 18 GLU N N 18 129.354 122.344 7.010 1
1 139 . 9 1 1 A 19 19 SER H H 19 7.792 9.171 -1.379 1
1 140 . 9 1 1 A 19 19 SER HA H 19 4.650 4.351 0.299 1
1 143 . 9 1 1 A 19 19 SER C C 19 175.321 174.423 0.898 1
1 144 . 9 1 1 A 19 19 SER CA C 19 57.699 59.385 -1.686 1
1 145 . 9 1 1 A 19 19 SER CB C 19 65.816 61.801 4.015 1
1 146 . 9 1 1 A 19 19 SER N N 19 108.812 121.686 -12.874 1
1 147 . 9 1 1 A 20 20 GLY H H 20 8.376 8.576 -0.200 1
1 148 . 9 1 1 A 20 20 GLY HA2 H 20 3.931 3.355 0.576 1
1 149 . 9 1 1 A 20 20 GLY HA3 H 20 2.690 3.764 -1.074 1
1 150 . 9 1 1 A 20 20 GLY C C 20 172.644 174.302 -1.658 1
1 151 . 9 1 1 A 20 20 GLY CA C 20 44.746 46.601 -1.855 1
1 152 . 9 1 1 A 20 20 GLY N N 20 111.458 106.255 5.203 1
1 153 . 9 1 1 A 21 21 GLU H H 21 7.522 7.686 -0.164 1
1 154 . 9 1 1 A 21 21 GLU HA H 21 4.274 4.553 -0.279 1
1 159 . 9 1 1 A 21 21 GLU C C 21 176.266 175.933 0.333 1
1 160 . 9 1 1 A 21 21 GLU CA C 21 58.069 57.532 0.537 1
1 161 . 9 1 1 A 21 21 GLU CB C 21 31.024 32.141 -1.117 1
1 163 . 9 1 1 A 21 21 GLU N N 21 119.071 119.773 -0.702 1
1 164 . 9 1 1 A 22 22 THR H H 22 7.436 7.845 -0.409 1
1 165 . 9 1 1 A 22 22 THR HA H 22 4.618 4.805 -0.187 1
1 170 . 9 1 1 A 22 22 THR C C 22 173.662 172.674 0.988 1
1 171 . 9 1 1 A 22 22 THR CA C 22 60.682 60.758 -0.076 1
1 172 . 9 1 1 A 22 22 THR CB C 22 70.504 71.103 -0.599 1
1 174 . 9 1 1 A 22 22 THR N N 22 111.176 108.846 2.330 1
1 175 . 9 1 1 A 23 23 TRP H H 23 9.121 8.873 0.248 1
1 176 . 9 1 1 A 23 23 TRP HA H 23 4.983 5.334 -0.351 1
1 185 . 9 1 1 A 23 23 TRP C C 23 175.888 176.379 -0.491 1
1 186 . 9 1 1 A 23 23 TRP CA C 23 56.570 56.648 -0.078 1
1 187 . 9 1 1 A 23 23 TRP CB C 23 32.176 31.116 1.060 1
1 193 . 9 1 1 A 23 23 TRP N N 23 127.096 127.434 -0.338 1
1 195 . 9 1 1 A 24 24 SER H H 24 9.273 8.906 0.367 1
1 196 . 9 1 1 A 24 24 SER HA H 24 4.948 5.091 -0.143 1
1 199 . 9 1 1 A 24 24 SER C C 24 173.268 172.666 0.602 1
1 200 . 9 1 1 A 24 24 SER CA C 24 57.346 57.587 -0.241 1
1 201 . 9 1 1 A 24 24 SER CB C 24 65.445 66.849 -1.404 1
1 202 . 9 1 1 A 24 24 SER N N 24 118.031 116.431 1.600 1
1 203 . 9 1 1 A 25 25 GLU H H 25 8.990 8.568 0.422 1
1 204 . 9 1 1 A 25 25 GLU HA H 25 4.737 4.697 0.040 1
1 209 . 9 1 1 A 25 25 GLU C C 25 176.246 176.280 -0.034 1
1 210 . 9 1 1 A 25 25 GLU CA C 25 57.170 56.076 1.094 1
1 211 . 9 1 1 A 25 25 GLU CB C 25 30.202 30.230 -0.028 1
1 213 . 9 1 1 A 25 25 GLU N N 25 125.088 122.509 2.579 1
1 214 . 9 1 1 A 26 26 VAL H H 26 9.012 9.066 -0.054 1
1 215 . 9 1 1 A 26 26 VAL HA H 26 5.002 5.137 -0.135 1
1 223 . 9 1 1 A 26 26 VAL C C 26 174.304 173.603 0.701 1
1 224 . 9 1 1 A 26 26 VAL CA C 26 58.917 58.861 0.056 1
1 225 . 9 1 1 A 26 26 VAL CB C 26 35.753 36.126 -0.373 1
1 228 . 9 1 1 A 26 26 VAL N N 26 118.076 119.191 -1.115 1
1 229 . 9 1 1 A 27 27 TRP H H 27 8.880 8.743 0.137 1
1 230 . 9 1 1 A 27 27 TRP HA H 27 4.814 5.542 -0.728 1
1 239 . 9 1 1 A 27 27 TRP C C 27 174.255 174.029 0.226 1
1 240 . 9 1 1 A 27 27 TRP CA C 27 57.117 54.911 2.206 1
1 241 . 9 1 1 A 27 27 TRP CB C 27 30.325 32.722 -2.397 1
1 247 . 9 1 1 A 27 27 TRP N N 27 122.873 125.146 -2.273 1
1 249 . 9 1 1 A 28 28 ALA H H 28 8.482 8.563 -0.081 1
1 250 . 9 1 1 A 28 28 ALA HA H 28 5.329 5.388 -0.059 1
1 254 . 9 1 1 A 28 28 ALA C C 28 175.519 175.683 -0.164 1
1 255 . 9 1 1 A 28 28 ALA CA C 28 49.670 50.066 -0.396 1
1 256 . 9 1 1 A 28 28 ALA CB C 28 23.827 22.016 1.811 1
1 257 . 9 1 1 A 28 28 ALA N N 28 133.586 130.044 3.542 1
1 258 . 9 1 1 A 29 29 ALA H H 29 8.948 9.147 -0.199 1
1 259 . 9 1 1 A 29 29 ALA HA H 29 5.160 5.224 -0.064 1
1 263 . 9 1 1 A 29 29 ALA C C 29 175.956 176.196 -0.240 1
1 264 . 9 1 1 A 29 29 ALA CA C 29 52.210 51.709 0.501 1
1 265 . 9 1 1 A 29 29 ALA CB C 29 23.697 23.521 0.176 1
1 266 . 9 1 1 A 29 29 ALA N N 29 119.901 123.209 -3.308 1
1 267 . 9 1 1 A 30 30 ILE H H 30 8.245 8.632 -0.387 1
1 268 . 9 1 1 A 30 30 ILE HA H 30 5.313 4.669 0.644 1
1 278 . 9 1 1 A 30 30 ILE C C 30 174.004 174.387 -0.383 1
1 279 . 9 1 1 A 30 30 ILE CA C 30 57.699 57.262 0.437 1
1 280 . 9 1 1 A 30 30 ILE CB C 30 40.565 39.679 0.886 1
1 284 . 9 1 1 A 30 30 ILE N N 30 122.332 121.193 1.139 1
1 285 . 9 1 1 A 31 31 PRO HA H 31 4.655 4.672 -0.017 1
1 292 . 9 1 1 A 31 31 PRO C C 31 177.566 178.119 -0.553 1
1 293 . 9 1 1 A 31 31 PRO CA C 31 62.464 62.527 -0.063 1
1 294 . 9 1 1 A 31 31 PRO CB C 31 31.929 31.449 0.480 1
1 297 . 9 1 1 A 32 32 MET H H 32 8.572 8.634 -0.062 1
1 298 . 9 1 1 A 32 32 MET HA H 32 3.997 4.121 -0.124 1
1 306 . 9 1 1 A 32 32 MET C C 32 177.770 178.322 -0.552 1
1 307 . 9 1 1 A 32 32 MET CA C 32 58.158 58.660 -0.502 1
1 308 . 9 1 1 A 32 32 MET CB C 32 31.929 32.094 -0.165 1
1 311 . 9 1 1 A 32 32 MET N N 32 121.580 124.368 -2.788 1
1 312 . 9 1 1 A 33 33 SER H H 33 8.163 8.289 -0.126 1
1 313 . 9 1 1 A 33 33 SER HA H 33 4.213 4.237 -0.024 1
1 316 . 9 1 1 A 33 33 SER C C 33 174.424 174.415 0.009 1
1 317 . 9 1 1 A 33 33 SER CA C 33 58.864 61.646 -2.782 1
1 318 . 9 1 1 A 33 33 SER CB C 33 63.225 62.737 0.488 1
1 319 . 9 1 1 A 33 33 SER N N 33 109.218 114.178 -4.960 1
1 320 . 9 1 1 A 34 34 ASP H H 34 7.179 7.851 -0.672 1
1 321 . 9 1 1 A 34 34 ASP HA H 34 4.912 5.096 -0.184 1
1 324 . 9 1 1 A 34 34 ASP C C 34 171.847 174.217 -2.370 1
1 325 . 9 1 1 A 34 34 ASP CA C 34 52.581 51.203 1.378 1
1 326 . 9 1 1 A 34 34 ASP CB C 34 41.223 41.554 -0.331 1
1 327 . 9 1 1 A 34 34 ASP N N 34 120.601 120.422 0.179 1
1 328 . 9 1 1 A 35 35 PRO HA H 35 4.510 4.562 -0.052 1
1 335 . 9 1 1 A 35 35 PRO C C 35 175.635 176.198 -0.563 1
1 336 . 9 1 1 A 35 35 PRO CA C 35 64.511 63.994 0.517 1
1 337 . 9 1 1 A 35 35 PRO CB C 35 31.729 32.048 -0.319 1
1 340 . 9 1 1 A 36 36 GLN H H 36 7.982 8.348 -0.366 1
1 341 . 9 1 1 A 36 36 GLN HA H 36 4.472 4.494 -0.022 1
1 348 . 9 1 1 A 36 36 GLN C C 36 174.646 174.883 -0.237 1
1 349 . 9 1 1 A 36 36 GLN CA C 36 55.193 55.950 -0.757 1
1 350 . 9 1 1 A 36 36 GLN CB C 36 29.420 29.683 -0.263 1
1 352 . 9 1 1 A 36 36 GLN N N 36 114.393 117.663 -3.270 1
1 354 . 9 1 1 A 37 37 VAL H H 37 7.878 7.655 0.223 1
1 355 . 9 1 1 A 37 37 VAL HA H 37 4.546 4.676 -0.130 1
1 363 . 9 1 1 A 37 37 VAL C C 37 172.485 172.808 -0.323 1
1 364 . 9 1 1 A 37 37 VAL CA C 37 60.987 60.287 0.700 1
1 365 . 9 1 1 A 37 37 VAL CB C 37 35.218 34.860 0.358 1
1 368 . 9 1 1 A 37 37 VAL N N 37 120.432 119.463 0.969 1
1 369 . 9 1 1 A 38 38 LEU H H 38 7.992 9.048 -1.056 1
1 370 . 9 1 1 A 38 38 LEU HA H 38 4.770 5.253 -0.483 1
1 380 . 9 1 1 A 38 38 LEU C C 38 175.193 175.061 0.132 1
1 381 . 9 1 1 A 38 38 LEU CA C 38 53.146 53.242 -0.096 1
1 382 . 9 1 1 A 38 38 LEU CB C 38 45.359 44.463 0.896 1
1 386 . 9 1 1 A 38 38 LEU N N 38 123.585 129.465 -5.880 1
1 387 . 9 1 1 A 39 39 HIS H H 39 9.442 8.959 0.483 1
1 388 . 9 1 1 A 39 39 HIS HA H 39 5.212 4.885 0.327 1
1 393 . 9 1 1 A 39 39 HIS C C 39 175.351 175.668 -0.317 1
1 394 . 9 1 1 A 39 39 HIS CA C 39 55.211 56.321 -1.110 1
1 395 . 9 1 1 A 39 39 HIS CB C 39 32.669 31.012 1.657 1
1 398 . 9 1 1 A 39 39 HIS N N 39 126.949 126.206 0.743 1
1 399 . 9 1 1 A 40 40 LEU H H 40 8.424 8.710 -0.286 1
1 400 . 9 1 1 A 40 40 LEU HA H 40 5.082 5.194 -0.112 1
1 410 . 9 1 1 A 40 40 LEU C C 40 176.050 176.196 -0.146 1
1 411 . 9 1 1 A 40 40 LEU CA C 40 53.552 53.390 0.162 1
1 412 . 9 1 1 A 40 40 LEU CB C 40 44.019 45.373 -1.354 1
1 416 . 9 1 1 A 40 40 LEU N N 40 122.395 123.256 -0.861 1
1 417 . 9 1 1 A 41 41 GLN H H 41 8.972 9.088 -0.116 1
1 418 . 9 1 1 A 41 41 GLN HA H 41 4.723 5.025 -0.302 1
1 425 . 9 1 1 A 41 41 GLN C C 41 175.453 174.882 0.571 1
1 426 . 9 1 1 A 41 41 GLN CA C 41 54.840 55.204 -0.364 1
1 427 . 9 1 1 A 41 41 GLN CB C 41 31.946 31.421 0.525 1
1 429 . 9 1 1 A 41 41 GLN N N 41 121.779 121.751 0.028 1
1 431 . 9 1 1 A 42 42 GLY H H 42 8.739 8.913 -0.174 1
1 432 . 9 1 1 A 42 42 GLY HA2 H 42 4.252 4.365 -0.113 1
1 433 . 9 1 1 A 42 42 GLY HA3 H 42 4.200 4.390 -0.190 1
1 434 . 9 1 1 A 42 42 GLY C C 42 173.938 172.462 1.476 1
1 435 . 9 1 1 A 42 42 GLY CA C 42 44.746 44.748 -0.002 1
1 436 . 9 1 1 A 42 42 GLY N N 42 112.892 112.689 0.203 1
1 437 . 9 1 1 A 43 43 GLY H H 43 8.709 9.231 -0.522 1
1 438 . 9 1 1 A 43 43 GLY HA2 H 43 4.110 4.023 0.087 1
1 439 . 9 1 1 A 43 43 GLY HA3 H 43 3.962 4.023 -0.061 1
1 440 . 9 1 1 A 43 43 GLY C C 43 174.713 172.802 1.911 1
1 441 . 9 1 1 A 43 43 GLY CA C 43 45.346 46.800 -1.454 1
1 442 . 9 1 1 A 43 43 GLY N N 43 108.768 112.464 -3.696 1
1 443 . 9 1 1 A 44 44 SER H H 44 8.369 8.003 0.366 1
1 444 . 9 1 1 A 44 44 SER C C 44 175.312 175.006 0.306 1
1 445 . 9 1 1 A 44 44 SER CA C 44 58.723 55.952 2.771 1
1 446 . 9 1 1 A 44 44 SER CB C 44 63.924 64.979 -1.055 1
1 447 . 9 1 1 A 44 44 SER N N 44 115.582 119.217 -3.635 1
1 448 . 9 1 1 A 45 45 GLN HA H 45 4.346 4.044 0.302 1
1 455 . 9 1 1 A 45 45 GLN C C 45 175.931 176.259 -0.328 1
1 456 . 9 1 1 A 45 45 GLN CA C 45 56.358 59.569 -3.211 1
1 457 . 9 1 1 A 45 45 GLN CB C 45 28.392 28.737 -0.345 1
1 460 . 9 1 1 A 46 46 ASP H H 46 8.053 7.897 0.156 1
1 461 . 9 1 1 A 46 46 ASP HA H 46 4.615 4.757 -0.142 1
1 464 . 9 1 1 A 46 46 ASP C C 46 176.998 176.449 0.549 1
1 465 . 9 1 1 A 46 46 ASP CA C 46 54.188 53.523 0.665 1
1 466 . 9 1 1 A 46 46 ASP CB C 46 41.099 41.421 -0.322 1
1 467 . 9 1 1 A 46 46 ASP N N 46 119.460 118.051 1.409 1
1 468 . 9 1 1 A 47 47 GLY H H 47 8.311 8.762 -0.451 1
1 469 . 9 1 1 A 47 47 GLY HA2 H 47 3.970 3.915 0.055 1
1 470 . 9 1 1 A 47 47 GLY HA3 H 47 3.970 3.918 0.052 1
1 471 . 9 1 1 A 47 47 GLY C C 47 174.725 175.293 -0.568 1
1 472 . 9 1 1 A 47 47 GLY CA C 47 45.892 45.519 0.373 1
1 473 . 9 1 1 A 47 47 GLY N N 47 109.753 109.156 0.597 1
1 474 . 9 1 1 A 48 48 ARG H H 48 8.300 7.627 0.673 1
1 475 . 9 1 1 A 48 48 ARG HA H 48 4.308 4.231 0.077 1
1 482 . 9 1 1 A 48 48 ARG C C 48 176.347 177.222 -0.875 1
1 483 . 9 1 1 A 48 48 ARG CA C 48 56.782 58.803 -2.021 1
1 484 . 9 1 1 A 48 48 ARG CB C 48 30.654 30.274 0.380 1
1 487 . 9 1 1 A 48 48 ARG N N 48 119.526 119.716 -0.190 1
1 488 . 9 1 1 A 49 49 LEU H H 49 7.682 7.518 0.164 1
1 489 . 9 1 1 A 49 49 LEU HA H 49 4.252 4.116 0.136 1
1 499 . 9 1 1 A 49 49 LEU C C 49 174.707 175.194 -0.487 1
1 500 . 9 1 1 A 49 49 LEU CA C 49 53.040 53.285 -0.245 1
1 501 . 9 1 1 A 49 49 LEU CB C 49 41.759 42.522 -0.763 1
1 505 . 9 1 1 A 49 49 LEU N N 49 121.049 122.320 -1.271 1
1 506 . 9 1 1 A 50 50 PRO HA H 50 4.392 4.416 -0.024 1
1 513 . 9 1 1 A 50 50 PRO C C 50 175.058 177.777 -2.719 1
1 514 . 9 1 1 A 50 50 PRO CA C 50 62.323 63.249 -0.926 1
1 515 . 9 1 1 A 50 50 PRO CB C 50 31.353 31.988 -0.635 1
1 518 . 9 1 1 A 51 51 ARG H H 51 8.295 8.917 -0.622 1
1 519 . 9 1 1 A 51 51 ARG HA H 51 4.511 4.149 0.362 1
1 526 . 9 1 1 A 51 51 ARG C C 51 177.443 176.328 1.115 1
1 527 . 9 1 1 A 51 51 ARG CA C 51 56.728 58.737 -2.009 1
1 528 . 9 1 1 A 51 51 ARG CB C 51 31.194 31.053 0.141 1
1 531 . 9 1 1 A 51 51 ARG N N 51 119.201 121.969 -2.768 1
1 532 . 9 1 1 A 52 52 THR H H 52 7.372 7.877 -0.505 1
1 533 . 9 1 1 A 52 52 THR HA H 52 4.963 4.732 0.231 1
1 538 . 9 1 1 A 52 52 THR C C 52 173.287 173.943 -0.656 1
1 539 . 9 1 1 A 52 52 THR CA C 52 59.411 60.290 -0.879 1
1 540 . 9 1 1 A 52 52 THR CB C 52 71.632 71.019 0.613 1
1 542 . 9 1 1 A 52 52 THR N N 52 109.591 110.789 -1.198 1
1 543 . 9 1 1 A 53 53 ILE H H 53 8.742 8.710 0.032 1
1 544 . 9 1 1 A 53 53 ILE HA H 53 3.845 4.597 -0.752 1
1 554 . 9 1 1 A 53 53 ILE C C 53 173.374 174.384 -1.010 1
1 555 . 9 1 1 A 53 53 ILE CA C 53 57.735 57.602 0.133 1
1 556 . 9 1 1 A 53 53 ILE CB C 53 41.196 40.279 0.917 1
1 560 . 9 1 1 A 53 53 ILE N N 53 123.236 124.803 -1.567 1
1 561 . 9 1 1 A 54 54 PRO HA H 54 4.541 4.619 -0.078 1
1 568 . 9 1 1 A 54 54 PRO CA C 54 61.292 62.462 -1.170 1
1 569 . 9 1 1 A 54 54 PRO CB C 54 30.119 31.586 -1.467 1
1 572 . 9 1 1 A 55 55 LEU H H 55 8.146 8.444 -0.298 1
1 573 . 9 1 1 A 55 55 LEU HA H 55 4.262 3.878 0.384 1
1 583 . 9 1 1 A 55 55 LEU CA C 55 58.660 58.962 -0.302 1
1 584 . 9 1 1 A 55 55 LEU CB C 55 39.660 39.546 0.114 1
1 588 . 9 1 1 A 55 55 LEU N N 55 127.224 123.930 3.294 1
1 589 . 9 1 1 A 56 56 PRO HA H 56 4.630 4.405 0.225 1
1 596 . 9 1 1 A 56 56 PRO C C 56 177.498 177.647 -0.149 1
1 597 . 9 1 1 A 56 56 PRO CA C 56 65.782 65.156 0.626 1
1 598 . 9 1 1 A 56 56 PRO CB C 56 31.188 31.605 -0.417 1
1 601 . 9 1 1 A 57 57 SER H H 57 7.722 7.844 -0.122 1
1 602 . 9 1 1 A 57 57 SER HA H 57 4.723 4.795 -0.072 1
1 605 . 9 1 1 A 57 57 SER C C 57 174.102 173.913 0.189 1
1 606 . 9 1 1 A 57 57 SER CA C 57 58.423 57.992 0.431 1
1 607 . 9 1 1 A 57 57 SER CB C 57 63.924 64.887 -0.963 1
1 608 . 9 1 1 A 57 57 SER N N 57 110.169 111.468 -1.299 1
1 609 . 9 1 1 A 58 58 CYS H H 58 8.002 7.617 0.385 1
1 610 . 9 1 1 A 58 58 CYS HA H 58 5.282 4.490 0.792 1
1 613 . 9 1 1 A 58 58 CYS C C 58 174.525 174.895 -0.370 1
1 614 . 9 1 1 A 58 58 CYS CA C 58 59.447 60.100 -0.653 1
1 615 . 9 1 1 A 58 58 CYS CB C 58 29.594 27.915 1.679 1
1 616 . 9 1 1 A 58 58 CYS N N 58 118.902 118.394 0.508 1
1 617 . 9 1 1 A 59 59 LYS H H 59 9.242 8.853 0.389 1
1 618 . 9 1 1 A 59 59 LYS HA H 59 4.777 4.826 -0.049 1
1 627 . 9 1 1 A 59 59 LYS C C 59 175.947 175.629 0.318 1
1 628 . 9 1 1 A 59 59 LYS CA C 59 55.299 54.927 0.372 1
1 629 . 9 1 1 A 59 59 LYS CB C 59 34.561 34.317 0.244 1
1 633 . 9 1 1 A 59 59 LYS N N 59 122.306 124.273 -1.967 1
1 634 . 9 1 1 A 60 60 LEU H H 60 9.030 8.971 0.059 1
1 635 . 9 1 1 A 60 60 LEU HA H 60 5.543 4.767 0.776 1
1 645 . 9 1 1 A 60 60 LEU C C 60 176.239 176.061 0.178 1
1 646 . 9 1 1 A 60 60 LEU CA C 60 53.958 54.807 -0.849 1
1 647 . 9 1 1 A 60 60 LEU CB C 60 44.454 42.425 2.029 1
1 651 . 9 1 1 A 60 60 LEU N N 60 129.520 125.978 3.542 1
1 652 . 9 1 1 A 61 61 SER H H 61 9.077 8.563 0.514 1
1 653 . 9 1 1 A 61 61 SER HA H 61 4.832 5.132 -0.300 1
1 656 . 9 1 1 A 61 61 SER C C 61 172.173 172.746 -0.573 1
1 657 . 9 1 1 A 61 61 SER CA C 61 57.558 57.793 -0.235 1
1 658 . 9 1 1 A 61 61 SER CB C 61 65.692 65.850 -0.158 1
1 659 . 9 1 1 A 61 61 SER N N 61 117.374 121.928 -4.554 1
1 660 . 9 1 1 A 62 62 VAL H H 62 8.784 8.911 -0.127 1
1 661 . 9 1 1 A 62 62 VAL HA H 62 4.927 4.719 0.208 1
1 669 . 9 1 1 A 62 62 VAL C C 62 174.367 174.533 -0.166 1
1 670 . 9 1 1 A 62 62 VAL CA C 62 59.782 60.104 -0.322 1
1 671 . 9 1 1 A 62 62 VAL CB C 62 33.518 32.006 1.512 1
1 674 . 9 1 1 A 62 62 VAL N N 62 119.929 126.738 -6.809 1
1 675 . 9 1 1 A 63 63 PRO HA H 63 4.495 4.644 -0.149 1
1 682 . 9 1 1 A 63 63 PRO CA C 63 62.526 62.343 0.183 1
1 683 . 9 1 1 A 63 63 PRO CB C 63 32.504 32.322 0.182 1
1 686 . 9 1 1 A 64 64 ASP H H 64 8.762 8.573 0.189 1
1 687 . 9 1 1 A 64 64 ASP HA H 64 4.780 4.739 0.041 1
1 690 . 9 1 1 A 64 64 ASP CA C 64 53.231 52.876 0.355 1
1 691 . 9 1 1 A 64 64 ASP CB C 64 41.105 40.273 0.832 1
1 692 . 9 1 1 A 64 64 ASP N N 64 123.527 121.059 2.468 1
1 693 . 9 1 1 A 65 65 PRO HA H 65 4.371 4.495 -0.124 1
1 700 . 9 1 1 A 65 65 PRO C C 65 178.309 178.278 0.031 1
1 701 . 9 1 1 A 65 65 PRO CA C 65 64.829 64.445 0.384 1
1 702 . 9 1 1 A 65 65 PRO CB C 65 32.136 31.973 0.163 1
1 705 . 9 1 1 A 66 66 GLU H H 66 8.890 8.532 0.358 1
1 706 . 9 1 1 A 66 66 GLU HA H 66 4.129 4.062 0.067 1
1 711 . 9 1 1 A 66 66 GLU C C 66 177.222 179.340 -2.118 1
1 712 . 9 1 1 A 66 66 GLU CA C 66 57.805 59.334 -1.529 1
1 713 . 9 1 1 A 66 66 GLU CB C 66 29.334 28.843 0.491 1
1 715 . 9 1 1 A 66 66 GLU N N 66 117.225 117.732 -0.507 1
1 716 . 9 1 1 A 67 67 GLU H H 67 7.971 7.856 0.115 1
1 717 . 9 1 1 A 67 67 GLU HA H 67 4.136 4.114 0.022 1
1 722 . 9 1 1 A 67 67 GLU C C 67 176.058 176.484 -0.426 1
1 723 . 9 1 1 A 67 67 GLU CA C 67 57.328 58.918 -1.590 1
1 724 . 9 1 1 A 67 67 GLU CB C 67 29.594 29.607 -0.013 1
1 726 . 9 1 1 A 67 67 GLU N N 67 119.516 119.289 0.227 1
1 727 . 9 1 1 A 68 68 ARG H H 68 8.020 7.861 0.159 1
1 728 . 9 1 1 A 68 68 ARG HA H 68 4.043 3.769 0.274 1
1 735 . 9 1 1 A 68 68 ARG C C 68 175.591 175.601 -0.010 1
1 736 . 9 1 1 A 68 68 ARG CA C 68 56.075 56.871 -0.796 1
1 737 . 9 1 1 A 68 68 ARG CB C 68 28.927 27.602 1.325 1
1 740 . 9 1 1 A 68 68 ARG N N 68 118.917 116.842 2.075 1
1 741 . 9 1 1 A 69 69 LEU H H 69 8.188 7.810 0.378 1
1 742 . 9 1 1 A 69 69 LEU HA H 69 4.372 4.292 0.080 1
1 752 . 9 1 1 A 69 69 LEU C C 69 176.013 177.880 -1.867 1
1 753 . 9 1 1 A 69 69 LEU CA C 69 54.682 54.952 -0.270 1
1 754 . 9 1 1 A 69 69 LEU CB C 69 43.238 43.034 0.204 1
1 758 . 9 1 1 A 69 69 LEU N N 69 122.935 120.268 2.667 1
1 759 . 9 1 1 A 70 70 ASP H H 70 8.382 9.009 -0.627 1
1 760 . 9 1 1 A 70 70 ASP HA H 70 4.123 4.240 -0.117 1
1 763 . 9 1 1 A 70 70 ASP C C 70 175.200 175.675 -0.475 1
1 764 . 9 1 1 A 70 70 ASP CA C 70 54.558 56.656 -2.098 1
1 765 . 9 1 1 A 70 70 ASP CB C 70 40.634 40.427 0.207 1
1 766 . 9 1 1 A 70 70 ASP N N 70 119.400 122.962 -3.562 1
1 767 . 9 1 1 A 71 71 SER H H 71 7.391 7.525 -0.134 1
1 768 . 9 1 1 A 71 71 SER HA H 71 4.233 4.498 -0.265 1
1 771 . 9 1 1 A 71 71 SER C C 71 174.294 174.519 -0.225 1
1 772 . 9 1 1 A 71 71 SER CA C 71 58.017 56.284 1.733 1
1 773 . 9 1 1 A 71 71 SER CB C 71 63.430 65.753 -2.323 1
1 774 . 9 1 1 A 71 71 SER N N 71 114.807 108.694 6.113 1
1 775 . 9 1 1 A 72 72 GLY H H 72 7.981 8.360 -0.379 1
1 776 . 9 1 1 A 72 72 GLY HA2 H 72 3.702 3.601 0.101 1
1 777 . 9 1 1 A 72 72 GLY HA3 H 72 3.610 3.709 -0.099 1
1 778 . 9 1 1 A 72 72 GLY C C 72 172.912 173.714 -0.802 1
1 779 . 9 1 1 A 72 72 GLY CA C 72 44.675 46.494 -1.819 1
1 780 . 9 1 1 A 72 72 GLY N N 72 108.675 109.249 -0.574 1
1 781 . 9 1 1 A 73 73 HIS H H 73 8.462 7.962 0.500 1
1 782 . 9 1 1 A 73 73 HIS HA H 73 4.859 5.179 -0.320 1
1 787 . 9 1 1 A 73 73 HIS C C 73 174.804 174.053 0.751 1
1 788 . 9 1 1 A 73 73 HIS CA C 73 54.700 54.678 0.022 1
1 789 . 9 1 1 A 73 73 HIS CB C 73 28.762 30.351 -1.589 1
1 792 . 9 1 1 A 73 73 HIS N N 73 122.843 117.321 5.522 1
1 793 . 9 1 1 A 74 74 VAL H H 74 7.682 8.737 -1.055 1
1 794 . 9 1 1 A 74 74 VAL HA H 74 5.402 4.865 0.537 1
1 802 . 9 1 1 A 74 74 VAL C C 74 176.121 173.675 2.446 1
1 803 . 9 1 1 A 74 74 VAL CA C 74 61.246 60.115 1.131 1
1 804 . 9 1 1 A 74 74 VAL CB C 74 35.383 35.412 -0.029 1
1 807 . 9 1 1 A 74 74 VAL N N 74 120.824 122.031 -1.207 1
1 808 . 9 1 1 A 75 75 TRP H H 75 9.581 8.746 0.835 1
1 809 . 9 1 1 A 75 75 TRP HA H 75 5.342 6.002 -0.660 1
1 818 . 9 1 1 A 75 75 TRP C C 75 171.123 173.699 -2.576 1
1 819 . 9 1 1 A 75 75 TRP CA C 75 57.046 54.725 2.321 1
1 820 . 9 1 1 A 75 75 TRP CB C 75 32.834 33.227 -0.393 1
1 826 . 9 1 1 A 75 75 TRP N N 75 124.656 126.504 -1.848 1
1 828 . 9 1 1 A 76 76 LYS H H 76 9.557 9.317 0.240 1
1 829 . 9 1 1 A 76 76 LYS HA H 76 5.192 4.887 0.305 1
1 838 . 9 1 1 A 76 76 LYS C C 76 174.801 175.064 -0.263 1
1 839 . 9 1 1 A 76 76 LYS CA C 76 54.876 55.488 -0.612 1
1 840 . 9 1 1 A 76 76 LYS CB C 76 36.740 34.145 2.595 1
1 844 . 9 1 1 A 76 76 LYS N N 76 121.724 121.563 0.161 1
1 845 . 9 1 1 A 77 77 LEU H H 77 8.957 8.448 0.509 1
1 846 . 9 1 1 A 77 77 LEU HA H 77 5.272 5.246 0.026 1
1 856 . 9 1 1 A 77 77 LEU C C 77 174.927 175.056 -0.129 1
1 857 . 9 1 1 A 77 77 LEU CA C 77 54.046 54.376 -0.330 1
1 858 . 9 1 1 A 77 77 LEU CB C 77 46.281 44.648 1.633 1
1 862 . 9 1 1 A 77 77 LEU N N 77 124.578 125.473 -0.895 1
1 863 . 9 1 1 A 78 78 GLN H H 78 8.629 8.652 -0.023 1
1 864 . 9 1 1 A 78 78 GLN HA H 78 5.308 5.515 -0.207 1
1 871 . 9 1 1 A 78 78 GLN C C 78 174.564 174.753 -0.189 1
1 872 . 9 1 1 A 78 78 GLN CA C 78 54.452 54.531 -0.079 1
1 873 . 9 1 1 A 78 78 GLN CB C 78 32.833 31.154 1.679 1
1 875 . 9 1 1 A 78 78 GLN N N 78 121.344 125.159 -3.815 1
1 877 . 9 1 1 A 79 79 TRP H H 79 8.601 8.308 0.293 1
1 878 . 9 1 1 A 79 79 TRP HA H 79 5.003 4.981 0.022 1
1 887 . 9 1 1 A 79 79 TRP C C 79 173.001 174.094 -1.093 1
1 888 . 9 1 1 A 79 79 TRP CA C 79 56.323 56.700 -0.377 1
1 889 . 9 1 1 A 79 79 TRP CB C 79 32.258 31.503 0.755 1
1 895 . 9 1 1 A 79 79 TRP N N 79 128.274 123.843 4.431 1
1 897 . 9 1 1 A 80 80 ALA H H 80 9.181 9.315 -0.134 1
1 898 . 9 1 1 A 80 80 ALA HA H 80 3.933 3.909 0.024 1
1 902 . 9 1 1 A 80 80 ALA C C 80 177.360 176.316 1.044 1
1 903 . 9 1 1 A 80 80 ALA CA C 80 54.222 53.215 1.007 1
1 904 . 9 1 1 A 80 80 ALA CB C 80 17.329 17.180 0.149 1
1 905 . 9 1 1 A 80 80 ALA N N 80 126.348 121.598 4.750 1
1 906 . 9 1 1 A 81 81 LYS H H 81 8.163 8.395 -0.232 1
1 907 . 9 1 1 A 81 81 LYS HA H 81 4.290 3.713 0.577 1
1 916 . 9 1 1 A 81 81 LYS C C 81 176.068 174.525 1.543 1
1 917 . 9 1 1 A 81 81 LYS CA C 81 56.305 57.352 -1.047 1
1 918 . 9 1 1 A 81 81 LYS CB C 81 31.312 29.331 1.981 1
1 922 . 9 1 1 A 81 81 LYS N N 81 120.289 107.394 12.895 1
1 923 . 9 1 1 A 82 82 GLN H H 82 8.423 7.624 0.799 1
1 924 . 9 1 1 A 82 82 GLN HA H 82 4.255 4.739 -0.484 1
1 931 . 9 1 1 A 82 82 GLN C C 82 174.996 174.209 0.787 1
1 932 . 9 1 1 A 82 82 GLN CA C 82 54.805 53.817 0.988 1
1 933 . 9 1 1 A 82 82 GLN CB C 82 30.942 32.683 -1.741 1
1 935 . 9 1 1 A 82 82 GLN N N 82 119.918 116.359 3.559 1
1 937 . 9 1 1 A 83 83 SER H H 83 7.683 8.293 -0.610 1
1 938 . 9 1 1 A 83 83 SER HA H 83 4.991 5.529 -0.538 1
1 941 . 9 1 1 A 83 83 SER C C 83 171.947 172.825 -0.878 1
1 942 . 9 1 1 A 83 83 SER CA C 83 57.629 56.855 0.774 1
1 943 . 9 1 1 A 83 83 SER CB C 83 64.664 65.758 -1.094 1
1 944 . 9 1 1 A 83 83 SER N N 83 115.649 112.903 2.746 1
1 945 . 9 1 1 A 84 84 TRP H H 84 8.665 8.742 -0.077 1
1 946 . 9 1 1 A 84 84 TRP HA H 84 4.714 4.865 -0.151 1
1 955 . 9 1 1 A 84 84 TRP C C 84 174.105 174.770 -0.665 1
1 956 . 9 1 1 A 84 84 TRP CA C 84 56.834 56.093 0.741 1
1 957 . 9 1 1 A 84 84 TRP CB C 84 33.368 33.169 0.199 1
1 963 . 9 1 1 A 84 84 TRP N N 84 122.334 123.310 -0.976 1
1 965 . 9 1 1 A 85 85 TYR H H 85 9.220 9.002 0.218 1
1 966 . 9 1 1 A 85 85 TYR HA H 85 5.209 5.070 0.139 1
1 973 . 9 1 1 A 85 85 TYR C C 85 175.136 175.230 -0.094 1
1 974 . 9 1 1 A 85 85 TYR CA C 85 56.993 57.838 -0.845 1
1 975 . 9 1 1 A 85 85 TYR CB C 85 41.058 39.948 1.110 1
1 980 . 9 1 1 A 85 85 TYR N N 85 117.934 122.716 -4.782 1
1 981 . 9 1 1 A 86 86 LEU H H 86 8.662 9.262 -0.600 1
1 982 . 9 1 1 A 86 86 LEU HA H 86 5.172 4.700 0.472 1
1 992 . 9 1 1 A 86 86 LEU C C 86 174.454 174.334 0.120 1
1 993 . 9 1 1 A 86 86 LEU CA C 86 53.587 53.148 0.439 1
1 994 . 9 1 1 A 86 86 LEU CB C 86 43.773 41.778 1.995 1
1 998 . 9 1 1 A 86 86 LEU N N 86 121.945 124.993 -3.048 1
1 999 . 9 1 1 A 87 87 SER H H 87 8.642 8.405 0.237 1
1 1000 . 9 1 1 A 87 87 SER HA H 87 4.995 5.054 -0.059 1
1 1003 . 9 1 1 A 87 87 SER C C 87 173.683 173.387 0.296 1
1 1004 . 9 1 1 A 87 87 SER CA C 87 55.052 56.634 -1.582 1
1 1005 . 9 1 1 A 87 87 SER CB C 87 65.487 64.040 1.447 1
1 1006 . 9 1 1 A 87 87 SER N N 87 111.719 120.938 -9.219 1
1 1007 . 9 1 1 A 88 88 ALA H H 88 8.472 8.951 -0.479 1
1 1008 . 9 1 1 A 88 88 ALA HA H 88 5.184 4.808 0.376 1
1 1012 . 9 1 1 A 88 88 ALA C C 88 178.012 177.994 0.018 1
1 1013 . 9 1 1 A 88 88 ALA CA C 88 49.423 50.566 -1.143 1
1 1014 . 9 1 1 A 88 88 ALA CB C 88 22.919 21.539 1.380 1
1 1015 . 9 1 1 A 88 88 ALA N N 88 126.939 130.275 -3.336 1
1 1016 . 9 1 1 A 89 89 SER H H 89 8.182 8.563 -0.381 1
1 1017 . 9 1 1 A 89 89 SER HA H 89 4.274 4.223 0.051 1
1 1020 . 9 1 1 A 89 89 SER C C 89 174.039 174.605 -0.566 1
1 1021 . 9 1 1 A 89 89 SER CA C 89 60.135 61.801 -1.666 1
1 1022 . 9 1 1 A 89 89 SER CB C 89 63.571 63.065 0.506 1
1 1023 . 9 1 1 A 89 89 SER N N 89 111.359 116.316 -4.957 1
1 1024 . 9 1 1 A 90 90 SER H H 90 7.392 7.734 -0.342 1
1 1025 . 9 1 1 A 90 90 SER HA H 90 4.383 4.267 0.116 1
1 1028 . 9 1 1 A 90 90 SER C C 90 173.114 173.843 -0.729 1
1 1029 . 9 1 1 A 90 90 SER CA C 90 56.023 56.969 -0.946 1
1 1030 . 9 1 1 A 90 90 SER CB C 90 67.108 65.418 1.690 1
1 1031 . 9 1 1 A 90 90 SER N N 90 113.112 111.898 1.214 1
1 1032 . 9 1 1 A 91 91 ALA H H 91 8.532 7.397 1.135 1
1 1033 . 9 1 1 A 91 91 ALA HA H 91 3.763 3.916 -0.153 1
1 1037 . 9 1 1 A 91 91 ALA C C 91 179.816 179.576 0.240 1
1 1038 . 9 1 1 A 91 91 ALA CA C 91 54.699 55.580 -0.881 1
1 1039 . 9 1 1 A 91 91 ALA CB C 91 18.111 18.434 -0.323 1
1 1040 . 9 1 1 A 91 91 ALA N N 91 123.767 124.078 -0.311 1
1 1041 . 9 1 1 A 92 92 GLU H H 92 8.766 8.296 0.470 1
1 1042 . 9 1 1 A 92 92 GLU HA H 92 3.942 4.110 -0.168 1
1 1047 . 9 1 1 A 92 92 GLU C C 92 179.568 178.567 1.001 1
1 1048 . 9 1 1 A 92 92 GLU CA C 92 60.206 59.880 0.326 1
1 1049 . 9 1 1 A 92 92 GLU CB C 92 28.721 29.634 -0.913 1
1 1051 . 9 1 1 A 92 92 GLU N N 92 118.712 118.328 0.384 1
1 1052 . 9 1 1 A 93 93 LEU H H 93 7.852 8.197 -0.345 1
1 1053 . 9 1 1 A 93 93 LEU HA H 93 4.274 4.130 0.144 1
1 1063 . 9 1 1 A 93 93 LEU C C 93 178.805 178.604 0.201 1
1 1064 . 9 1 1 A 93 93 LEU CA C 93 57.382 57.689 -0.307 1
1 1065 . 9 1 1 A 93 93 LEU CB C 93 43.115 41.510 1.605 1
1 1069 . 9 1 1 A 93 93 LEU N N 93 121.212 121.147 0.065 1
1 1070 . 9 1 1 A 94 94 GLN H H 94 8.080 8.642 -0.562 1
1 1071 . 9 1 1 A 94 94 GLN HA H 94 3.843 4.458 -0.615 1
1 1078 . 9 1 1 A 94 94 GLN C C 94 176.960 178.162 -1.202 1
1 1079 . 9 1 1 A 94 94 GLN CA C 94 59.694 58.785 0.909 1
1 1080 . 9 1 1 A 94 94 GLN CB C 94 28.063 29.020 -0.957 1
1 1082 . 9 1 1 A 94 94 GLN N N 94 120.439 118.968 1.471 1
1 1084 . 9 1 1 A 95 95 GLN H H 95 8.293 7.964 0.329 1
1 1085 . 9 1 1 A 95 95 GLN HA H 95 3.779 4.159 -0.380 1
1 1092 . 9 1 1 A 95 95 GLN C C 95 177.938 178.269 -0.331 1
1 1093 . 9 1 1 A 95 95 GLN CA C 95 59.005 58.663 0.342 1
1 1094 . 9 1 1 A 95 95 GLN CB C 95 27.610 28.963 -1.353 1
1 1096 . 9 1 1 A 95 95 GLN N N 95 117.408 118.778 -1.370 1
1 1098 . 9 1 1 A 96 96 GLN H H 96 7.731 7.892 -0.161 1
1 1099 . 9 1 1 A 96 96 GLN HA H 96 3.966 4.013 -0.047 1
1 1106 . 9 1 1 A 96 96 GLN C C 96 179.685 177.359 2.326 1
1 1107 . 9 1 1 A 96 96 GLN CA C 96 58.987 58.054 0.933 1
1 1108 . 9 1 1 A 96 96 GLN CB C 96 28.433 27.859 0.574 1
1 1110 . 9 1 1 A 96 96 GLN N N 96 119.621 117.091 2.530 1
1 1112 . 9 1 1 A 97 97 TRP H H 97 8.410 7.146 1.264 1
1 1113 . 9 1 1 A 97 97 TRP HA H 97 3.792 4.467 -0.675 1
1 1122 . 9 1 1 A 97 97 TRP C C 97 178.515 178.645 -0.130 1
1 1123 . 9 1 1 A 97 97 TRP CA C 97 61.670 59.530 2.140 1
1 1124 . 9 1 1 A 97 97 TRP CB C 97 29.972 29.870 0.102 1
1 1130 . 9 1 1 A 97 97 TRP N N 97 121.370 119.658 1.712 1
1 1132 . 9 1 1 A 98 98 LEU H H 98 8.505 8.102 0.403 1
1 1133 . 9 1 1 A 98 98 LEU HA H 98 3.485 3.558 -0.073 1
1 1143 . 9 1 1 A 98 98 LEU C C 98 180.194 178.731 1.463 1
1 1144 . 9 1 1 A 98 98 LEU CA C 98 58.706 57.856 0.850 1
1 1145 . 9 1 1 A 98 98 LEU CB C 98 41.141 41.506 -0.365 1
1 1149 . 9 1 1 A 98 98 LEU N N 98 119.038 120.613 -1.575 1
1 1150 . 9 1 1 A 99 99 GLU H H 99 8.241 8.449 -0.208 1
1 1151 . 9 1 1 A 99 99 GLU HA H 99 3.927 4.142 -0.215 1
1 1156 . 9 1 1 A 99 99 GLU C C 99 179.082 178.868 0.214 1
1 1157 . 9 1 1 A 99 99 GLU CA C 99 59.587 58.976 0.611 1
1 1158 . 9 1 1 A 99 99 GLU CB C 99 29.296 29.406 -0.110 1
1 1160 . 9 1 1 A 99 99 GLU N N 99 119.886 117.669 2.217 1
1 1161 . 9 1 1 A 100 100 THR H H 100 7.780 7.522 0.258 1
1 1162 . 9 1 1 A 100 100 THR HA H 100 3.862 3.873 -0.011 1
1 1167 . 9 1 1 A 100 100 THR C C 100 176.899 176.410 0.489 1
1 1168 . 9 1 1 A 100 100 THR CA C 100 67.088 67.227 -0.139 1
1 1169 . 9 1 1 A 100 100 THR CB C 100 68.178 68.650 -0.472 1
1 1171 . 9 1 1 A 100 100 THR N N 100 116.913 116.926 -0.013 1
1 1172 . 9 1 1 A 101 101 LEU H H 101 9.159 8.111 1.048 1
1 1173 . 9 1 1 A 101 101 LEU HA H 101 3.993 3.866 0.127 1
1 1183 . 9 1 1 A 101 101 LEU C C 101 178.416 179.175 -0.759 1
1 1184 . 9 1 1 A 101 101 LEU CA C 101 58.017 57.916 0.101 1
1 1185 . 9 1 1 A 101 101 LEU CB C 101 42.004 41.288 0.716 1
1 1189 . 9 1 1 A 101 101 LEU N N 101 121.065 120.186 0.879 1
1 1190 . 9 1 1 A 102 102 SER H H 102 7.978 8.472 -0.494 1
1 1191 . 9 1 1 A 102 102 SER HA H 102 4.094 4.182 -0.088 1
1 1194 . 9 1 1 A 102 102 SER C C 102 176.370 176.855 -0.485 1
1 1195 . 9 1 1 A 102 102 SER CA C 102 61.794 61.319 0.475 1
1 1196 . 9 1 1 A 102 102 SER CB C 102 62.855 61.956 0.899 1
1 1197 . 9 1 1 A 102 102 SER N N 102 112.923 112.550 0.373 1
1 1198 . 9 1 1 A 103 103 THR H H 103 7.683 8.438 -0.755 1
1 1199 . 9 1 1 A 103 103 THR HA H 103 4.020 3.982 0.038 1
1 1204 . 9 1 1 A 103 103 THR C C 103 176.061 176.229 -0.168 1
1 1205 . 9 1 1 A 103 103 THR CA C 103 65.412 66.182 -0.770 1
1 1206 . 9 1 1 A 103 103 THR CB C 103 68.918 68.561 0.357 1
1 1208 . 9 1 1 A 103 103 THR N N 103 116.420 116.038 0.382 1
1 1209 . 9 1 1 A 104 104 ALA H H 104 7.760 8.179 -0.419 1
1 1210 . 9 1 1 A 104 104 ALA HA H 104 4.272 4.199 0.073 1
1 1214 . 9 1 1 A 104 104 ALA C C 104 178.160 177.908 0.252 1
1 1215 . 9 1 1 A 104 104 ALA CA C 104 54.011 52.983 1.028 1
1 1216 . 9 1 1 A 104 104 ALA CB C 104 20.155 18.765 1.390 1
1 1217 . 9 1 1 A 104 104 ALA N N 104 123.981 123.529 0.452 1
1 1218 . 9 1 1 A 105 105 ALA H H 105 7.824 7.823 0.001 1
1 1219 . 9 1 1 A 105 105 ALA HA H 105 4.092 4.408 -0.316 1
1 1223 . 9 1 1 A 105 105 ALA C C 105 177.657 176.199 1.458 1
1 1224 . 9 1 1 A 105 105 ALA CA C 105 53.058 51.236 1.822 1
1 1225 . 9 1 1 A 105 105 ALA CB C 105 19.067 18.491 0.576 1
1 1226 . 9 1 1 A 105 105 ALA N N 105 118.227 120.020 -1.793 1
1 1227 . 9 1 1 A 106 106 HIS H H 106 7.675 8.066 -0.391 1
1 1228 . 9 1 1 A 106 106 HIS HA H 106 4.703 4.145 0.558 1
1 1233 . 9 1 1 A 106 106 HIS C C 106 175.296 174.180 1.116 1
1 1234 . 9 1 1 A 106 106 HIS CA C 106 56.287 56.962 -0.675 1
1 1235 . 9 1 1 A 106 106 HIS CB C 106 30.407 26.619 3.788 1
1 1238 . 9 1 1 A 106 106 HIS N N 106 115.860 113.432 2.428 1
1 1239 . 9 1 1 A 107 107 SER H H 107 8.015 7.666 0.349 1
1 1240 . 9 1 1 A 107 107 SER HA H 107 4.560 4.278 0.282 1
1 1243 . 9 1 1 A 107 107 SER C C 107 174.345 174.969 -0.624 1
1 1244 . 9 1 1 A 107 107 SER CA C 107 58.546 60.140 -1.594 1
1 1245 . 9 1 1 A 107 107 SER CB C 107 64.130 64.153 -0.023 1
1 1246 . 9 1 1 A 107 107 SER N N 107 116.310 114.531 1.779 1
1 1247 . 9 1 1 A 108 108 GLY H H 108 8.282 8.527 -0.245 1
1 1248 . 9 1 1 A 108 108 GLY HA2 H 108 4.213 4.024 0.189 1
1 1249 . 9 1 1 A 108 108 GLY HA3 H 108 4.042 4.025 0.017 1
1 1250 . 9 1 1 A 108 108 GLY C C 108 171.750 173.272 -1.522 1
1 1251 . 9 1 1 A 108 108 GLY CA C 108 44.640 44.796 -0.156 1
1 1252 . 9 1 1 A 108 108 GLY N N 108 110.511 111.326 -0.815 1
1 1253 . 9 1 1 A 109 109 PRO HA H 109 4.497 4.526 -0.029 1
1 1260 . 9 1 1 A 109 109 PRO C C 109 177.419 175.544 1.875 1
1 1261 . 9 1 1 A 109 109 PRO CA C 109 63.241 62.901 0.340 1
1 1262 . 9 1 1 A 109 109 PRO CB C 109 32.264 32.834 -0.570 1
1 1265 . 9 1 1 A 110 110 SER H H 110 8.558 8.572 -0.014 1
1 1266 . 9 1 1 A 110 110 SER C C 110 174.715 173.203 1.512 1
1 1267 . 9 1 1 A 110 110 SER CA C 110 58.335 56.942 1.393 1
1 1268 . 9 1 1 A 110 110 SER CB C 110 63.759 63.592 0.167 1
1 1269 . 9 1 1 A 110 110 SER N N 110 116.470 117.129 -0.659 1
1 1270 . 9 1 1 A 111 111 SER H H 111 8.357 8.680 -0.323 1
1 1271 . 9 1 1 A 111 111 SER C C 111 173.931 175.633 -1.702 1
1 1272 . 9 1 1 A 111 111 SER CA C 111 58.335 60.585 -2.250 1
1 1 . 10 1 1 A 8 8 SER HA H 8 5.012 4.919 0.093 1
1 4 . 10 1 1 A 8 8 SER CA C 8 58.166 57.306 0.860 1
1 5 . 10 1 1 A 8 8 SER CB C 8 64.582 66.745 -2.163 1
1 6 . 10 1 1 A 9 9 LEU H H 9 9.253 8.478 0.775 1
1 7 . 10 1 1 A 9 9 LEU HA H 9 4.091 3.926 0.165 1
1 17 . 10 1 1 A 9 9 LEU C C 9 176.799 176.675 0.124 1
1 18 . 10 1 1 A 9 9 LEU CA C 9 57.523 58.038 -0.515 1
1 19 . 10 1 1 A 9 9 LEU CB C 9 42.703 41.957 0.746 1
1 23 . 10 1 1 A 9 9 LEU N N 9 127.432 126.591 0.841 1
1 24 . 10 1 1 A 10 10 LEU H H 10 6.827 7.589 -0.762 1
1 25 . 10 1 1 A 10 10 LEU HA H 10 4.201 4.519 -0.318 1
1 35 . 10 1 1 A 10 10 LEU C C 10 173.779 174.428 -0.649 1
1 36 . 10 1 1 A 10 10 LEU CA C 10 54.399 54.217 0.182 1
1 37 . 10 1 1 A 10 10 LEU CB C 10 45.006 45.215 -0.209 1
1 41 . 10 1 1 A 10 10 LEU N N 10 116.105 117.133 -1.028 1
1 42 . 10 1 1 A 11 11 CYS H H 11 7.989 8.953 -0.964 1
1 43 . 10 1 1 A 11 11 CYS HA H 11 5.743 5.464 0.279 1
1 46 . 10 1 1 A 11 11 CYS C C 11 172.654 173.271 -0.617 1
1 47 . 10 1 1 A 11 11 CYS CA C 11 55.546 57.355 -1.809 1
1 48 . 10 1 1 A 11 11 CYS CB C 11 31.333 31.361 -0.028 1
1 49 . 10 1 1 A 11 11 CYS N N 11 117.939 123.482 -5.543 1
1 50 . 10 1 1 A 12 12 GLY H H 12 8.479 7.570 0.909 1
1 51 . 10 1 1 A 12 12 GLY HA2 H 12 4.419 3.739 0.680 1
1 52 . 10 1 1 A 12 12 GLY HA3 H 12 2.832 4.093 -1.261 1
1 53 . 10 1 1 A 12 12 GLY C C 12 168.720 171.776 -3.056 1
1 54 . 10 1 1 A 12 12 GLY CA C 12 44.710 44.588 0.122 1
1 55 . 10 1 1 A 12 12 GLY N N 12 109.046 106.723 2.323 1
1 56 . 10 1 1 A 13 13 PRO HA H 13 5.163 4.467 0.696 1
1 63 . 10 1 1 A 13 13 PRO C C 13 177.501 175.037 2.464 1
1 64 . 10 1 1 A 13 13 PRO CA C 13 62.182 63.187 -1.005 1
1 65 . 10 1 1 A 13 13 PRO CB C 13 32.587 32.065 0.522 1
1 68 . 10 1 1 A 14 14 LEU H H 14 8.630 8.606 0.024 1
1 69 . 10 1 1 A 14 14 LEU HA H 14 4.764 4.906 -0.142 1
1 79 . 10 1 1 A 14 14 LEU C C 14 175.698 174.295 1.403 1
1 80 . 10 1 1 A 14 14 LEU CA C 14 53.975 52.883 1.092 1
1 81 . 10 1 1 A 14 14 LEU CB C 14 48.936 45.781 3.155 1
1 85 . 10 1 1 A 14 14 LEU N N 14 122.246 123.880 -1.634 1
1 86 . 10 1 1 A 15 15 ARG H H 15 8.498 8.346 0.152 1
1 87 . 10 1 1 A 15 15 ARG HA H 15 5.421 5.141 0.280 1
1 95 . 10 1 1 A 15 15 ARG C C 15 174.664 174.937 -0.273 1
1 96 . 10 1 1 A 15 15 ARG CA C 15 54.858 54.308 0.550 1
1 97 . 10 1 1 A 15 15 ARG CB C 15 34.085 33.941 0.144 1
1 100 . 10 1 1 A 15 15 ARG N N 15 118.593 122.259 -3.666 1
1 102 . 10 1 1 A 16 16 LEU H H 16 9.244 8.509 0.735 1
1 103 . 10 1 1 A 16 16 LEU HA H 16 5.662 5.311 0.351 1
1 113 . 10 1 1 A 16 16 LEU C C 16 176.872 174.710 2.162 1
1 114 . 10 1 1 A 16 16 LEU CA C 16 53.746 54.370 -0.624 1
1 115 . 10 1 1 A 16 16 LEU CB C 16 47.803 46.016 1.787 1
1 119 . 10 1 1 A 16 16 LEU N N 16 123.893 123.706 0.187 1
1 120 . 10 1 1 A 17 17 SER H H 17 8.982 8.965 0.017 1
1 121 . 10 1 1 A 17 17 SER HA H 17 4.484 5.289 -0.805 1
1 124 . 10 1 1 A 17 17 SER C C 17 173.790 172.585 1.205 1
1 125 . 10 1 1 A 17 17 SER CA C 17 57.081 56.391 0.690 1
1 126 . 10 1 1 A 17 17 SER CB C 17 64.487 64.445 0.042 1
1 127 . 10 1 1 A 17 17 SER N N 17 117.455 120.173 -2.718 1
1 128 . 10 1 1 A 18 18 GLU H H 18 9.102 8.599 0.503 1
1 129 . 10 1 1 A 18 18 GLU HA H 18 3.832 3.823 0.009 1
1 134 . 10 1 1 A 18 18 GLU C C 18 176.185 176.535 -0.350 1
1 135 . 10 1 1 A 18 18 GLU CA C 18 58.793 56.855 1.938 1
1 136 . 10 1 1 A 18 18 GLU CB C 18 30.037 29.176 0.861 1
1 138 . 10 1 1 A 18 18 GLU N N 18 129.354 126.654 2.700 1
1 139 . 10 1 1 A 19 19 SER H H 19 7.792 9.211 -1.419 1
1 140 . 10 1 1 A 19 19 SER HA H 19 4.650 4.178 0.472 1
1 143 . 10 1 1 A 19 19 SER C C 19 175.321 173.880 1.441 1
1 144 . 10 1 1 A 19 19 SER CA C 19 57.699 59.141 -1.442 1
1 145 . 10 1 1 A 19 19 SER CB C 19 65.816 61.805 4.011 1
1 146 . 10 1 1 A 19 19 SER N N 19 108.812 121.360 -12.548 1
1 147 . 10 1 1 A 20 20 GLY H H 20 8.376 7.274 1.102 1
1 148 . 10 1 1 A 20 20 GLY HA2 H 20 3.931 3.046 0.885 1
1 149 . 10 1 1 A 20 20 GLY HA3 H 20 2.690 3.353 -0.663 1
1 150 . 10 1 1 A 20 20 GLY C C 20 172.644 174.056 -1.412 1
1 151 . 10 1 1 A 20 20 GLY CA C 20 44.746 46.279 -1.533 1
1 152 . 10 1 1 A 20 20 GLY N N 20 111.458 104.984 6.474 1
1 153 . 10 1 1 A 21 21 GLU H H 21 7.522 7.494 0.028 1
1 154 . 10 1 1 A 21 21 GLU HA H 21 4.274 4.529 -0.255 1
1 159 . 10 1 1 A 21 21 GLU C C 21 176.266 175.663 0.603 1
1 160 . 10 1 1 A 21 21 GLU CA C 21 58.069 57.547 0.522 1
1 161 . 10 1 1 A 21 21 GLU CB C 21 31.024 32.363 -1.339 1
1 163 . 10 1 1 A 21 21 GLU N N 21 119.071 118.741 0.330 1
1 164 . 10 1 1 A 22 22 THR H H 22 7.436 7.849 -0.413 1
1 165 . 10 1 1 A 22 22 THR HA H 22 4.618 4.789 -0.171 1
1 170 . 10 1 1 A 22 22 THR C C 22 173.662 172.821 0.841 1
1 171 . 10 1 1 A 22 22 THR CA C 22 60.682 60.487 0.195 1
1 172 . 10 1 1 A 22 22 THR CB C 22 70.504 71.097 -0.593 1
1 174 . 10 1 1 A 22 22 THR N N 22 111.176 108.763 2.413 1
1 175 . 10 1 1 A 23 23 TRP H H 23 9.121 8.895 0.226 1
1 176 . 10 1 1 A 23 23 TRP HA H 23 4.983 5.350 -0.367 1
1 185 . 10 1 1 A 23 23 TRP C C 23 175.888 176.467 -0.579 1
1 186 . 10 1 1 A 23 23 TRP CA C 23 56.570 56.574 -0.004 1
1 187 . 10 1 1 A 23 23 TRP CB C 23 32.176 30.949 1.227 1
1 193 . 10 1 1 A 23 23 TRP N N 23 127.096 127.503 -0.407 1
1 195 . 10 1 1 A 24 24 SER H H 24 9.273 8.883 0.390 1
1 196 . 10 1 1 A 24 24 SER HA H 24 4.948 5.134 -0.186 1
1 199 . 10 1 1 A 24 24 SER C C 24 173.268 173.346 -0.078 1
1 200 . 10 1 1 A 24 24 SER CA C 24 57.346 57.703 -0.357 1
1 201 . 10 1 1 A 24 24 SER CB C 24 65.445 66.873 -1.428 1
1 202 . 10 1 1 A 24 24 SER N N 24 118.031 117.140 0.891 1
1 203 . 10 1 1 A 25 25 GLU H H 25 8.990 8.485 0.505 1
1 204 . 10 1 1 A 25 25 GLU HA H 25 4.737 4.735 0.002 1
1 209 . 10 1 1 A 25 25 GLU C C 25 176.246 176.507 -0.261 1
1 210 . 10 1 1 A 25 25 GLU CA C 25 57.170 56.561 0.609 1
1 211 . 10 1 1 A 25 25 GLU CB C 25 30.202 30.242 -0.040 1
1 213 . 10 1 1 A 25 25 GLU N N 25 125.088 122.808 2.280 1
1 214 . 10 1 1 A 26 26 VAL H H 26 9.012 8.874 0.138 1
1 215 . 10 1 1 A 26 26 VAL HA H 26 5.002 5.069 -0.067 1
1 223 . 10 1 1 A 26 26 VAL C C 26 174.304 173.624 0.680 1
1 224 . 10 1 1 A 26 26 VAL CA C 26 58.917 59.102 -0.185 1
1 225 . 10 1 1 A 26 26 VAL CB C 26 35.753 36.130 -0.377 1
1 228 . 10 1 1 A 26 26 VAL N N 26 118.076 117.891 0.185 1
1 229 . 10 1 1 A 27 27 TRP H H 27 8.880 8.560 0.320 1
1 230 . 10 1 1 A 27 27 TRP HA H 27 4.814 5.583 -0.769 1
1 239 . 10 1 1 A 27 27 TRP C C 27 174.255 174.007 0.248 1
1 240 . 10 1 1 A 27 27 TRP CA C 27 57.117 55.176 1.941 1
1 241 . 10 1 1 A 27 27 TRP CB C 27 30.325 32.589 -2.264 1
1 247 . 10 1 1 A 27 27 TRP N N 27 122.873 125.191 -2.318 1
1 249 . 10 1 1 A 28 28 ALA H H 28 8.482 8.145 0.337 1
1 250 . 10 1 1 A 28 28 ALA HA H 28 5.329 5.385 -0.056 1
1 254 . 10 1 1 A 28 28 ALA C C 28 175.519 175.731 -0.212 1
1 255 . 10 1 1 A 28 28 ALA CA C 28 49.670 50.127 -0.457 1
1 256 . 10 1 1 A 28 28 ALA CB C 28 23.827 21.732 2.095 1
1 257 . 10 1 1 A 28 28 ALA N N 28 133.586 130.063 3.523 1
1 258 . 10 1 1 A 29 29 ALA H H 29 8.948 8.698 0.250 1
1 259 . 10 1 1 A 29 29 ALA HA H 29 5.160 5.278 -0.118 1
1 263 . 10 1 1 A 29 29 ALA C C 29 175.956 176.035 -0.079 1
1 264 . 10 1 1 A 29 29 ALA CA C 29 52.210 51.931 0.279 1
1 265 . 10 1 1 A 29 29 ALA CB C 29 23.697 23.153 0.544 1
1 266 . 10 1 1 A 29 29 ALA N N 29 119.901 123.276 -3.375 1
1 267 . 10 1 1 A 30 30 ILE H H 30 8.245 8.771 -0.526 1
1 268 . 10 1 1 A 30 30 ILE HA H 30 5.313 4.645 0.668 1
1 278 . 10 1 1 A 30 30 ILE C C 30 174.004 174.591 -0.587 1
1 279 . 10 1 1 A 30 30 ILE CA C 30 57.699 57.684 0.015 1
1 280 . 10 1 1 A 30 30 ILE CB C 30 40.565 38.743 1.822 1
1 284 . 10 1 1 A 30 30 ILE N N 30 122.332 121.439 0.893 1
1 285 . 10 1 1 A 31 31 PRO HA H 31 4.655 4.666 -0.011 1
1 292 . 10 1 1 A 31 31 PRO C C 31 177.566 178.093 -0.527 1
1 293 . 10 1 1 A 31 31 PRO CA C 31 62.464 62.544 -0.080 1
1 294 . 10 1 1 A 31 31 PRO CB C 31 31.929 31.445 0.484 1
1 297 . 10 1 1 A 32 32 MET H H 32 8.572 8.603 -0.031 1
1 298 . 10 1 1 A 32 32 MET HA H 32 3.997 4.105 -0.108 1
1 306 . 10 1 1 A 32 32 MET C C 32 177.770 178.189 -0.419 1
1 307 . 10 1 1 A 32 32 MET CA C 32 58.158 58.648 -0.490 1
1 308 . 10 1 1 A 32 32 MET CB C 32 31.929 32.167 -0.238 1
1 311 . 10 1 1 A 32 32 MET N N 32 121.580 124.316 -2.736 1
1 312 . 10 1 1 A 33 33 SER H H 33 8.163 8.275 -0.112 1
1 313 . 10 1 1 A 33 33 SER HA H 33 4.213 4.222 -0.009 1
1 316 . 10 1 1 A 33 33 SER C C 33 174.424 174.421 0.003 1
1 317 . 10 1 1 A 33 33 SER CA C 33 58.864 61.647 -2.783 1
1 318 . 10 1 1 A 33 33 SER CB C 33 63.225 62.704 0.521 1
1 319 . 10 1 1 A 33 33 SER N N 33 109.218 114.175 -4.957 1
1 320 . 10 1 1 A 34 34 ASP H H 34 7.179 8.064 -0.885 1
1 321 . 10 1 1 A 34 34 ASP HA H 34 4.912 5.094 -0.182 1
1 324 . 10 1 1 A 34 34 ASP C C 34 171.847 174.228 -2.381 1
1 325 . 10 1 1 A 34 34 ASP CA C 34 52.581 51.251 1.330 1
1 326 . 10 1 1 A 34 34 ASP CB C 34 41.223 41.557 -0.334 1
1 327 . 10 1 1 A 34 34 ASP N N 34 120.601 120.173 0.428 1
1 328 . 10 1 1 A 35 35 PRO HA H 35 4.510 4.493 0.017 1
1 335 . 10 1 1 A 35 35 PRO C C 35 175.635 175.970 -0.335 1
1 336 . 10 1 1 A 35 35 PRO CA C 35 64.511 64.006 0.505 1
1 337 . 10 1 1 A 35 35 PRO CB C 35 31.729 32.090 -0.361 1
1 340 . 10 1 1 A 36 36 GLN H H 36 7.982 8.233 -0.251 1
1 341 . 10 1 1 A 36 36 GLN HA H 36 4.472 4.490 -0.018 1
1 348 . 10 1 1 A 36 36 GLN C C 36 174.646 174.564 0.082 1
1 349 . 10 1 1 A 36 36 GLN CA C 36 55.193 55.887 -0.694 1
1 350 . 10 1 1 A 36 36 GLN CB C 36 29.420 29.622 -0.202 1
1 352 . 10 1 1 A 36 36 GLN N N 36 114.393 117.964 -3.571 1
1 354 . 10 1 1 A 37 37 VAL H H 37 7.878 7.630 0.248 1
1 355 . 10 1 1 A 37 37 VAL HA H 37 4.546 4.846 -0.300 1
1 363 . 10 1 1 A 37 37 VAL C C 37 172.485 172.721 -0.236 1
1 364 . 10 1 1 A 37 37 VAL CA C 37 60.987 60.379 0.608 1
1 365 . 10 1 1 A 37 37 VAL CB C 37 35.218 34.776 0.442 1
1 368 . 10 1 1 A 37 37 VAL N N 37 120.432 119.460 0.972 1
1 369 . 10 1 1 A 38 38 LEU H H 38 7.992 8.831 -0.839 1
1 370 . 10 1 1 A 38 38 LEU HA H 38 4.770 5.272 -0.502 1
1 380 . 10 1 1 A 38 38 LEU C C 38 175.193 175.395 -0.202 1
1 381 . 10 1 1 A 38 38 LEU CA C 38 53.146 53.159 -0.013 1
1 382 . 10 1 1 A 38 38 LEU CB C 38 45.359 44.580 0.779 1
1 386 . 10 1 1 A 38 38 LEU N N 38 123.585 129.421 -5.836 1
1 387 . 10 1 1 A 39 39 HIS H H 39 9.442 8.859 0.583 1
1 388 . 10 1 1 A 39 39 HIS HA H 39 5.212 5.112 0.100 1
1 393 . 10 1 1 A 39 39 HIS C C 39 175.351 175.646 -0.295 1
1 394 . 10 1 1 A 39 39 HIS CA C 39 55.211 56.744 -1.533 1
1 395 . 10 1 1 A 39 39 HIS CB C 39 32.669 30.836 1.833 1
1 398 . 10 1 1 A 39 39 HIS N N 39 126.949 126.314 0.635 1
1 399 . 10 1 1 A 40 40 LEU H H 40 8.424 8.318 0.106 1
1 400 . 10 1 1 A 40 40 LEU HA H 40 5.082 5.179 -0.097 1
1 410 . 10 1 1 A 40 40 LEU C C 40 176.050 175.975 0.075 1
1 411 . 10 1 1 A 40 40 LEU CA C 40 53.552 53.494 0.058 1
1 412 . 10 1 1 A 40 40 LEU CB C 40 44.019 45.632 -1.613 1
1 416 . 10 1 1 A 40 40 LEU N N 40 122.395 122.441 -0.046 1
1 417 . 10 1 1 A 41 41 GLN H H 41 8.972 8.865 0.107 1
1 418 . 10 1 1 A 41 41 GLN HA H 41 4.723 5.117 -0.394 1
1 425 . 10 1 1 A 41 41 GLN C C 41 175.453 174.813 0.640 1
1 426 . 10 1 1 A 41 41 GLN CA C 41 54.840 54.562 0.278 1
1 427 . 10 1 1 A 41 41 GLN CB C 41 31.946 30.639 1.307 1
1 429 . 10 1 1 A 41 41 GLN N N 41 121.779 121.724 0.055 1
1 431 . 10 1 1 A 42 42 GLY H H 42 8.739 8.819 -0.080 1
1 432 . 10 1 1 A 42 42 GLY HA2 H 42 4.252 4.447 -0.195 1
1 433 . 10 1 1 A 42 42 GLY HA3 H 42 4.200 4.477 -0.277 1
1 434 . 10 1 1 A 42 42 GLY C C 42 173.938 172.603 1.335 1
1 435 . 10 1 1 A 42 42 GLY CA C 42 44.746 44.954 -0.208 1
1 436 . 10 1 1 A 42 42 GLY N N 42 112.892 111.797 1.095 1
1 437 . 10 1 1 A 43 43 GLY H H 43 8.709 8.560 0.149 1
1 438 . 10 1 1 A 43 43 GLY HA2 H 43 4.110 4.310 -0.200 1
1 439 . 10 1 1 A 43 43 GLY HA3 H 43 3.962 4.312 -0.350 1
1 440 . 10 1 1 A 43 43 GLY C C 43 174.713 172.368 2.345 1
1 441 . 10 1 1 A 43 43 GLY CA C 43 45.346 44.914 0.432 1
1 442 . 10 1 1 A 43 43 GLY N N 43 108.768 109.027 -0.259 1
1 443 . 10 1 1 A 44 44 SER H H 44 8.369 9.015 -0.646 1
1 444 . 10 1 1 A 44 44 SER C C 44 175.312 174.319 0.993 1
1 445 . 10 1 1 A 44 44 SER CA C 44 58.723 57.196 1.527 1
1 446 . 10 1 1 A 44 44 SER CB C 44 63.924 67.154 -3.230 1
1 447 . 10 1 1 A 44 44 SER N N 44 115.582 119.800 -4.218 1
1 448 . 10 1 1 A 45 45 GLN HA H 45 4.346 4.132 0.214 1
1 455 . 10 1 1 A 45 45 GLN C C 45 175.931 177.460 -1.529 1
1 456 . 10 1 1 A 45 45 GLN CA C 45 56.358 57.895 -1.537 1
1 457 . 10 1 1 A 45 45 GLN CB C 45 28.392 28.018 0.374 1
1 460 . 10 1 1 A 46 46 ASP H H 46 8.053 7.920 0.133 1
1 461 . 10 1 1 A 46 46 ASP HA H 46 4.615 4.385 0.230 1
1 464 . 10 1 1 A 46 46 ASP C C 46 176.998 177.309 -0.311 1
1 465 . 10 1 1 A 46 46 ASP CA C 46 54.188 56.437 -2.249 1
1 466 . 10 1 1 A 46 46 ASP CB C 46 41.099 40.901 0.198 1
1 467 . 10 1 1 A 46 46 ASP N N 46 119.460 119.700 -0.240 1
1 468 . 10 1 1 A 47 47 GLY H H 47 8.311 8.108 0.203 1
1 469 . 10 1 1 A 47 47 GLY HA2 H 47 3.970 3.930 0.040 1
1 470 . 10 1 1 A 47 47 GLY HA3 H 47 3.970 3.937 0.033 1
1 471 . 10 1 1 A 47 47 GLY C C 47 174.725 174.660 0.065 1
1 472 . 10 1 1 A 47 47 GLY CA C 47 45.892 45.741 0.151 1
1 473 . 10 1 1 A 47 47 GLY N N 47 109.753 107.590 2.163 1
1 474 . 10 1 1 A 48 48 ARG H H 48 8.300 8.891 -0.591 1
1 475 . 10 1 1 A 48 48 ARG HA H 48 4.308 3.884 0.424 1
1 482 . 10 1 1 A 48 48 ARG C C 48 176.347 175.460 0.887 1
1 483 . 10 1 1 A 48 48 ARG CA C 48 56.782 57.148 -0.366 1
1 484 . 10 1 1 A 48 48 ARG CB C 48 30.654 27.530 3.124 1
1 487 . 10 1 1 A 48 48 ARG N N 48 119.526 118.163 1.363 1
1 488 . 10 1 1 A 49 49 LEU H H 49 7.682 7.906 -0.224 1
1 489 . 10 1 1 A 49 49 LEU HA H 49 4.252 4.369 -0.117 1
1 499 . 10 1 1 A 49 49 LEU C C 49 174.707 175.004 -0.297 1
1 500 . 10 1 1 A 49 49 LEU CA C 49 53.040 52.552 0.488 1
1 501 . 10 1 1 A 49 49 LEU CB C 49 41.759 41.514 0.245 1
1 505 . 10 1 1 A 49 49 LEU N N 49 121.049 119.808 1.241 1
1 506 . 10 1 1 A 50 50 PRO HA H 50 4.392 4.759 -0.367 1
1 513 . 10 1 1 A 50 50 PRO C C 50 175.058 177.782 -2.724 1
1 514 . 10 1 1 A 50 50 PRO CA C 50 62.323 62.530 -0.207 1
1 515 . 10 1 1 A 50 50 PRO CB C 50 31.353 31.716 -0.363 1
1 518 . 10 1 1 A 51 51 ARG H H 51 8.295 8.883 -0.588 1
1 519 . 10 1 1 A 51 51 ARG HA H 51 4.511 4.037 0.474 1
1 526 . 10 1 1 A 51 51 ARG C C 51 177.443 176.368 1.075 1
1 527 . 10 1 1 A 51 51 ARG CA C 51 56.728 58.816 -2.088 1
1 528 . 10 1 1 A 51 51 ARG CB C 51 31.194 30.990 0.204 1
1 531 . 10 1 1 A 51 51 ARG N N 51 119.201 121.943 -2.742 1
1 532 . 10 1 1 A 52 52 THR H H 52 7.372 7.792 -0.420 1
1 533 . 10 1 1 A 52 52 THR HA H 52 4.963 4.641 0.322 1
1 538 . 10 1 1 A 52 52 THR C C 52 173.287 173.264 0.023 1
1 539 . 10 1 1 A 52 52 THR CA C 52 59.411 60.572 -1.161 1
1 540 . 10 1 1 A 52 52 THR CB C 52 71.632 70.627 1.005 1
1 542 . 10 1 1 A 52 52 THR N N 52 109.591 110.461 -0.870 1
1 543 . 10 1 1 A 53 53 ILE H H 53 8.742 8.699 0.043 1
1 544 . 10 1 1 A 53 53 ILE HA H 53 3.845 4.487 -0.642 1
1 554 . 10 1 1 A 53 53 ILE C C 53 173.374 174.742 -1.368 1
1 555 . 10 1 1 A 53 53 ILE CA C 53 57.735 57.636 0.099 1
1 556 . 10 1 1 A 53 53 ILE CB C 53 41.196 38.682 2.514 1
1 560 . 10 1 1 A 53 53 ILE N N 53 123.236 126.815 -3.579 1
1 561 . 10 1 1 A 54 54 PRO HA H 54 4.541 4.617 -0.076 1
1 568 . 10 1 1 A 54 54 PRO CA C 54 61.292 62.272 -0.980 1
1 569 . 10 1 1 A 54 54 PRO CB C 54 30.119 30.942 -0.823 1
1 572 . 10 1 1 A 55 55 LEU H H 55 8.146 8.456 -0.310 1
1 573 . 10 1 1 A 55 55 LEU HA H 55 4.262 3.858 0.404 1
1 583 . 10 1 1 A 55 55 LEU CA C 55 58.660 58.913 -0.253 1
1 584 . 10 1 1 A 55 55 LEU CB C 55 39.660 39.563 0.097 1
1 588 . 10 1 1 A 55 55 LEU N N 55 127.224 123.679 3.545 1
1 589 . 10 1 1 A 56 56 PRO HA H 56 4.630 4.406 0.224 1
1 596 . 10 1 1 A 56 56 PRO C C 56 177.498 177.112 0.386 1
1 597 . 10 1 1 A 56 56 PRO CA C 56 65.782 65.178 0.604 1
1 598 . 10 1 1 A 56 56 PRO CB C 56 31.188 31.531 -0.343 1
1 601 . 10 1 1 A 57 57 SER H H 57 7.722 7.893 -0.171 1
1 602 . 10 1 1 A 57 57 SER HA H 57 4.723 4.677 0.046 1
1 605 . 10 1 1 A 57 57 SER C C 57 174.102 174.364 -0.262 1
1 606 . 10 1 1 A 57 57 SER CA C 57 58.423 58.825 -0.402 1
1 607 . 10 1 1 A 57 57 SER CB C 57 63.924 65.389 -1.465 1
1 608 . 10 1 1 A 57 57 SER N N 57 110.169 111.138 -0.969 1
1 609 . 10 1 1 A 58 58 CYS H H 58 8.002 7.617 0.385 1
1 610 . 10 1 1 A 58 58 CYS HA H 58 5.282 4.447 0.835 1
1 613 . 10 1 1 A 58 58 CYS C C 58 174.525 174.376 0.149 1
1 614 . 10 1 1 A 58 58 CYS CA C 58 59.447 59.946 -0.499 1
1 615 . 10 1 1 A 58 58 CYS CB C 58 29.594 27.888 1.706 1
1 616 . 10 1 1 A 58 58 CYS N N 58 118.902 119.480 -0.578 1
1 617 . 10 1 1 A 59 59 LYS H H 59 9.242 8.799 0.443 1
1 618 . 10 1 1 A 59 59 LYS HA H 59 4.777 4.849 -0.072 1
1 627 . 10 1 1 A 59 59 LYS C C 59 175.947 175.120 0.827 1
1 628 . 10 1 1 A 59 59 LYS CA C 59 55.299 54.593 0.706 1
1 629 . 10 1 1 A 59 59 LYS CB C 59 34.561 34.250 0.311 1
1 633 . 10 1 1 A 59 59 LYS N N 59 122.306 125.345 -3.039 1
1 634 . 10 1 1 A 60 60 LEU H H 60 9.030 9.058 -0.028 1
1 635 . 10 1 1 A 60 60 LEU HA H 60 5.543 4.668 0.875 1
1 645 . 10 1 1 A 60 60 LEU C C 60 176.239 176.101 0.138 1
1 646 . 10 1 1 A 60 60 LEU CA C 60 53.958 54.770 -0.812 1
1 647 . 10 1 1 A 60 60 LEU CB C 60 44.454 41.444 3.010 1
1 651 . 10 1 1 A 60 60 LEU N N 60 129.520 129.076 0.444 1
1 652 . 10 1 1 A 61 61 SER H H 61 9.077 9.108 -0.031 1
1 653 . 10 1 1 A 61 61 SER HA H 61 4.832 5.094 -0.262 1
1 656 . 10 1 1 A 61 61 SER C C 61 172.173 172.623 -0.450 1
1 657 . 10 1 1 A 61 61 SER CA C 61 57.558 57.721 -0.163 1
1 658 . 10 1 1 A 61 61 SER CB C 61 65.692 65.764 -0.072 1
1 659 . 10 1 1 A 61 61 SER N N 61 117.374 123.174 -5.800 1
1 660 . 10 1 1 A 62 62 VAL H H 62 8.784 8.905 -0.121 1
1 661 . 10 1 1 A 62 62 VAL HA H 62 4.927 4.527 0.400 1
1 669 . 10 1 1 A 62 62 VAL C C 62 174.367 174.628 -0.261 1
1 670 . 10 1 1 A 62 62 VAL CA C 62 59.782 60.364 -0.582 1
1 671 . 10 1 1 A 62 62 VAL CB C 62 33.518 32.117 1.401 1
1 674 . 10 1 1 A 62 62 VAL N N 62 119.929 126.935 -7.006 1
1 675 . 10 1 1 A 63 63 PRO HA H 63 4.495 4.588 -0.093 1
1 682 . 10 1 1 A 63 63 PRO CA C 63 62.526 62.654 -0.128 1
1 683 . 10 1 1 A 63 63 PRO CB C 63 32.504 32.703 -0.199 1
1 686 . 10 1 1 A 64 64 ASP H H 64 8.762 8.676 0.086 1
1 687 . 10 1 1 A 64 64 ASP HA H 64 4.780 5.180 -0.400 1
1 690 . 10 1 1 A 64 64 ASP CA C 64 53.231 51.908 1.323 1
1 691 . 10 1 1 A 64 64 ASP CB C 64 41.105 40.892 0.213 1
1 692 . 10 1 1 A 64 64 ASP N N 64 123.527 121.046 2.481 1
1 693 . 10 1 1 A 65 65 PRO HA H 65 4.371 4.507 -0.136 1
1 700 . 10 1 1 A 65 65 PRO C C 65 178.309 178.357 -0.048 1
1 701 . 10 1 1 A 65 65 PRO CA C 65 64.829 64.522 0.307 1
1 702 . 10 1 1 A 65 65 PRO CB C 65 32.136 31.972 0.164 1
1 705 . 10 1 1 A 66 66 GLU H H 66 8.890 8.690 0.200 1
1 706 . 10 1 1 A 66 66 GLU HA H 66 4.129 4.043 0.086 1
1 711 . 10 1 1 A 66 66 GLU C C 66 177.222 177.670 -0.448 1
1 712 . 10 1 1 A 66 66 GLU CA C 66 57.805 59.496 -1.691 1
1 713 . 10 1 1 A 66 66 GLU CB C 66 29.334 29.182 0.152 1
1 715 . 10 1 1 A 66 66 GLU N N 66 117.225 118.190 -0.965 1
1 716 . 10 1 1 A 67 67 GLU H H 67 7.971 8.172 -0.201 1
1 717 . 10 1 1 A 67 67 GLU HA H 67 4.136 4.487 -0.351 1
1 722 . 10 1 1 A 67 67 GLU C C 67 176.058 175.771 0.287 1
1 723 . 10 1 1 A 67 67 GLU CA C 67 57.328 56.783 0.545 1
1 724 . 10 1 1 A 67 67 GLU CB C 67 29.594 30.654 -1.060 1
1 726 . 10 1 1 A 67 67 GLU N N 67 119.516 118.097 1.419 1
1 727 . 10 1 1 A 68 68 ARG H H 68 8.020 8.687 -0.667 1
1 728 . 10 1 1 A 68 68 ARG HA H 68 4.043 4.797 -0.754 1
1 735 . 10 1 1 A 68 68 ARG C C 68 175.591 175.363 0.228 1
1 736 . 10 1 1 A 68 68 ARG CA C 68 56.075 54.778 1.297 1
1 737 . 10 1 1 A 68 68 ARG CB C 68 28.927 31.012 -2.085 1
1 740 . 10 1 1 A 68 68 ARG N N 68 118.917 120.574 -1.657 1
1 741 . 10 1 1 A 69 69 LEU H H 69 8.188 8.523 -0.335 1
1 742 . 10 1 1 A 69 69 LEU HA H 69 4.372 4.729 -0.357 1
1 752 . 10 1 1 A 69 69 LEU C C 69 176.013 178.091 -2.078 1
1 753 . 10 1 1 A 69 69 LEU CA C 69 54.682 54.353 0.329 1
1 754 . 10 1 1 A 69 69 LEU CB C 69 43.238 42.373 0.865 1
1 758 . 10 1 1 A 69 69 LEU N N 69 122.935 125.148 -2.213 1
1 759 . 10 1 1 A 70 70 ASP H H 70 8.382 8.769 -0.387 1
1 760 . 10 1 1 A 70 70 ASP HA H 70 4.123 4.420 -0.297 1
1 763 . 10 1 1 A 70 70 ASP C C 70 175.200 176.266 -1.066 1
1 764 . 10 1 1 A 70 70 ASP CA C 70 54.558 56.554 -1.996 1
1 765 . 10 1 1 A 70 70 ASP CB C 70 40.634 40.860 -0.226 1
1 766 . 10 1 1 A 70 70 ASP N N 70 119.400 122.192 -2.792 1
1 767 . 10 1 1 A 71 71 SER H H 71 7.391 7.157 0.234 1
1 768 . 10 1 1 A 71 71 SER HA H 71 4.233 4.311 -0.078 1
1 771 . 10 1 1 A 71 71 SER C C 71 174.294 174.634 -0.340 1
1 772 . 10 1 1 A 71 71 SER CA C 71 58.017 58.010 0.007 1
1 773 . 10 1 1 A 71 71 SER CB C 71 63.430 64.440 -1.010 1
1 774 . 10 1 1 A 71 71 SER N N 71 114.807 114.497 0.310 1
1 775 . 10 1 1 A 72 72 GLY H H 72 7.981 8.195 -0.214 1
1 776 . 10 1 1 A 72 72 GLY HA2 H 72 3.702 3.699 0.003 1
1 777 . 10 1 1 A 72 72 GLY HA3 H 72 3.610 3.839 -0.229 1
1 778 . 10 1 1 A 72 72 GLY C C 72 172.912 173.582 -0.670 1
1 779 . 10 1 1 A 72 72 GLY CA C 72 44.675 45.688 -1.013 1
1 780 . 10 1 1 A 72 72 GLY N N 72 108.675 111.792 -3.117 1
1 781 . 10 1 1 A 73 73 HIS H H 73 8.462 8.067 0.395 1
1 782 . 10 1 1 A 73 73 HIS HA H 73 4.859 5.210 -0.351 1
1 787 . 10 1 1 A 73 73 HIS C C 73 174.804 173.892 0.912 1
1 788 . 10 1 1 A 73 73 HIS CA C 73 54.700 54.264 0.436 1
1 789 . 10 1 1 A 73 73 HIS CB C 73 28.762 31.011 -2.249 1
1 792 . 10 1 1 A 73 73 HIS N N 73 122.843 118.008 4.835 1
1 793 . 10 1 1 A 74 74 VAL H H 74 7.682 8.848 -1.166 1
1 794 . 10 1 1 A 74 74 VAL HA H 74 5.402 4.819 0.583 1
1 802 . 10 1 1 A 74 74 VAL C C 74 176.121 173.557 2.564 1
1 803 . 10 1 1 A 74 74 VAL CA C 74 61.246 60.256 0.990 1
1 804 . 10 1 1 A 74 74 VAL CB C 74 35.383 35.802 -0.419 1
1 807 . 10 1 1 A 74 74 VAL N N 74 120.824 121.775 -0.951 1
1 808 . 10 1 1 A 75 75 TRP H H 75 9.581 8.302 1.279 1
1 809 . 10 1 1 A 75 75 TRP HA H 75 5.342 5.842 -0.500 1
1 818 . 10 1 1 A 75 75 TRP C C 75 171.123 173.156 -2.033 1
1 819 . 10 1 1 A 75 75 TRP CA C 75 57.046 54.612 2.434 1
1 820 . 10 1 1 A 75 75 TRP CB C 75 32.834 33.319 -0.485 1
1 826 . 10 1 1 A 75 75 TRP N N 75 124.656 122.772 1.884 1
1 828 . 10 1 1 A 76 76 LYS H H 76 9.557 9.247 0.310 1
1 829 . 10 1 1 A 76 76 LYS HA H 76 5.192 4.549 0.643 1
1 838 . 10 1 1 A 76 76 LYS C C 76 174.801 174.862 -0.061 1
1 839 . 10 1 1 A 76 76 LYS CA C 76 54.876 55.174 -0.298 1
1 840 . 10 1 1 A 76 76 LYS CB C 76 36.740 33.909 2.831 1
1 844 . 10 1 1 A 76 76 LYS N N 76 121.724 121.291 0.433 1
1 845 . 10 1 1 A 77 77 LEU H H 77 8.957 8.938 0.019 1
1 846 . 10 1 1 A 77 77 LEU HA H 77 5.272 5.427 -0.155 1
1 856 . 10 1 1 A 77 77 LEU C C 77 174.927 175.102 -0.175 1
1 857 . 10 1 1 A 77 77 LEU CA C 77 54.046 54.188 -0.142 1
1 858 . 10 1 1 A 77 77 LEU CB C 77 46.281 44.960 1.321 1
1 862 . 10 1 1 A 77 77 LEU N N 77 124.578 125.449 -0.871 1
1 863 . 10 1 1 A 78 78 GLN H H 78 8.629 8.795 -0.166 1
1 864 . 10 1 1 A 78 78 GLN HA H 78 5.308 5.364 -0.056 1
1 871 . 10 1 1 A 78 78 GLN C C 78 174.564 174.766 -0.202 1
1 872 . 10 1 1 A 78 78 GLN CA C 78 54.452 54.488 -0.036 1
1 873 . 10 1 1 A 78 78 GLN CB C 78 32.833 31.267 1.566 1
1 875 . 10 1 1 A 78 78 GLN N N 78 121.344 125.638 -4.294 1
1 877 . 10 1 1 A 79 79 TRP H H 79 8.601 8.552 0.049 1
1 878 . 10 1 1 A 79 79 TRP HA H 79 5.003 4.993 0.010 1
1 887 . 10 1 1 A 79 79 TRP C C 79 173.001 174.132 -1.131 1
1 888 . 10 1 1 A 79 79 TRP CA C 79 56.323 56.671 -0.348 1
1 889 . 10 1 1 A 79 79 TRP CB C 79 32.258 31.516 0.742 1
1 895 . 10 1 1 A 79 79 TRP N N 79 128.274 123.853 4.421 1
1 897 . 10 1 1 A 80 80 ALA H H 80 9.181 9.343 -0.162 1
1 898 . 10 1 1 A 80 80 ALA HA H 80 3.933 3.936 -0.003 1
1 902 . 10 1 1 A 80 80 ALA C C 80 177.360 176.341 1.019 1
1 903 . 10 1 1 A 80 80 ALA CA C 80 54.222 53.247 0.975 1
1 904 . 10 1 1 A 80 80 ALA CB C 80 17.329 17.269 0.060 1
1 905 . 10 1 1 A 80 80 ALA N N 80 126.348 121.614 4.734 1
1 906 . 10 1 1 A 81 81 LYS H H 81 8.163 8.408 -0.245 1
1 907 . 10 1 1 A 81 81 LYS HA H 81 4.290 3.726 0.564 1
1 916 . 10 1 1 A 81 81 LYS C C 81 176.068 174.730 1.338 1
1 917 . 10 1 1 A 81 81 LYS CA C 81 56.305 57.374 -1.069 1
1 918 . 10 1 1 A 81 81 LYS CB C 81 31.312 29.347 1.965 1
1 922 . 10 1 1 A 81 81 LYS N N 81 120.289 107.392 12.897 1
1 923 . 10 1 1 A 82 82 GLN H H 82 8.423 7.663 0.760 1
1 924 . 10 1 1 A 82 82 GLN HA H 82 4.255 4.729 -0.474 1
1 931 . 10 1 1 A 82 82 GLN C C 82 174.996 174.047 0.949 1
1 932 . 10 1 1 A 82 82 GLN CA C 82 54.805 53.710 1.095 1
1 933 . 10 1 1 A 82 82 GLN CB C 82 30.942 32.160 -1.218 1
1 935 . 10 1 1 A 82 82 GLN N N 82 119.918 116.386 3.532 1
1 937 . 10 1 1 A 83 83 SER H H 83 7.683 8.062 -0.379 1
1 938 . 10 1 1 A 83 83 SER HA H 83 4.991 5.514 -0.523 1
1 941 . 10 1 1 A 83 83 SER C C 83 171.947 172.558 -0.611 1
1 942 . 10 1 1 A 83 83 SER CA C 83 57.629 57.645 -0.016 1
1 943 . 10 1 1 A 83 83 SER CB C 83 64.664 65.603 -0.939 1
1 944 . 10 1 1 A 83 83 SER N N 83 115.649 112.401 3.248 1
1 945 . 10 1 1 A 84 84 TRP H H 84 8.665 9.167 -0.502 1
1 946 . 10 1 1 A 84 84 TRP HA H 84 4.714 5.342 -0.628 1
1 955 . 10 1 1 A 84 84 TRP C C 84 174.105 174.861 -0.756 1
1 956 . 10 1 1 A 84 84 TRP CA C 84 56.834 55.769 1.065 1
1 957 . 10 1 1 A 84 84 TRP CB C 84 33.368 34.137 -0.769 1
1 963 . 10 1 1 A 84 84 TRP N N 84 122.334 124.045 -1.711 1
1 965 . 10 1 1 A 85 85 TYR H H 85 9.220 8.970 0.250 1
1 966 . 10 1 1 A 85 85 TYR HA H 85 5.209 5.328 -0.119 1
1 973 . 10 1 1 A 85 85 TYR C C 85 175.136 175.052 0.084 1
1 974 . 10 1 1 A 85 85 TYR CA C 85 56.993 56.010 0.983 1
1 975 . 10 1 1 A 85 85 TYR CB C 85 41.058 41.730 -0.672 1
1 980 . 10 1 1 A 85 85 TYR N N 85 117.934 119.221 -1.287 1
1 981 . 10 1 1 A 86 86 LEU H H 86 8.662 8.667 -0.005 1
1 982 . 10 1 1 A 86 86 LEU HA H 86 5.172 4.583 0.589 1
1 992 . 10 1 1 A 86 86 LEU C C 86 174.454 175.279 -0.825 1
1 993 . 10 1 1 A 86 86 LEU CA C 86 53.587 53.520 0.067 1
1 994 . 10 1 1 A 86 86 LEU CB C 86 43.773 42.917 0.856 1
1 998 . 10 1 1 A 86 86 LEU N N 86 121.945 122.649 -0.704 1
1 999 . 10 1 1 A 87 87 SER H H 87 8.642 8.796 -0.154 1
1 1000 . 10 1 1 A 87 87 SER HA H 87 4.995 4.827 0.168 1
1 1003 . 10 1 1 A 87 87 SER C C 87 173.683 173.611 0.072 1
1 1004 . 10 1 1 A 87 87 SER CA C 87 55.052 56.899 -1.847 1
1 1005 . 10 1 1 A 87 87 SER CB C 87 65.487 64.720 0.767 1
1 1006 . 10 1 1 A 87 87 SER N N 87 111.719 120.193 -8.474 1
1 1007 . 10 1 1 A 88 88 ALA H H 88 8.472 8.692 -0.220 1
1 1008 . 10 1 1 A 88 88 ALA HA H 88 5.184 4.797 0.387 1
1 1012 . 10 1 1 A 88 88 ALA C C 88 178.012 178.193 -0.181 1
1 1013 . 10 1 1 A 88 88 ALA CA C 88 49.423 50.138 -0.715 1
1 1014 . 10 1 1 A 88 88 ALA CB C 88 22.919 22.398 0.521 1
1 1015 . 10 1 1 A 88 88 ALA N N 88 126.939 123.545 3.394 1
1 1016 . 10 1 1 A 89 89 SER H H 89 8.182 8.818 -0.636 1
1 1017 . 10 1 1 A 89 89 SER HA H 89 4.274 4.254 0.020 1
1 1020 . 10 1 1 A 89 89 SER C C 89 174.039 174.103 -0.064 1
1 1021 . 10 1 1 A 89 89 SER CA C 89 60.135 61.137 -1.002 1
1 1022 . 10 1 1 A 89 89 SER CB C 89 63.571 63.133 0.438 1
1 1023 . 10 1 1 A 89 89 SER N N 89 111.359 116.568 -5.209 1
1 1024 . 10 1 1 A 90 90 SER H H 90 7.392 7.759 -0.367 1
1 1025 . 10 1 1 A 90 90 SER HA H 90 4.383 4.159 0.224 1
1 1028 . 10 1 1 A 90 90 SER C C 90 173.114 173.880 -0.766 1
1 1029 . 10 1 1 A 90 90 SER CA C 90 56.023 56.901 -0.878 1
1 1030 . 10 1 1 A 90 90 SER CB C 90 67.108 65.155 1.953 1
1 1031 . 10 1 1 A 90 90 SER N N 90 113.112 109.869 3.243 1
1 1032 . 10 1 1 A 91 91 ALA H H 91 8.532 7.857 0.675 1
1 1033 . 10 1 1 A 91 91 ALA HA H 91 3.763 4.014 -0.251 1
1 1037 . 10 1 1 A 91 91 ALA C C 91 179.816 179.643 0.173 1
1 1038 . 10 1 1 A 91 91 ALA CA C 91 54.699 55.576 -0.877 1
1 1039 . 10 1 1 A 91 91 ALA CB C 91 18.111 18.208 -0.097 1
1 1040 . 10 1 1 A 91 91 ALA N N 91 123.767 124.237 -0.470 1
1 1041 . 10 1 1 A 92 92 GLU H H 92 8.766 8.085 0.681 1
1 1042 . 10 1 1 A 92 92 GLU HA H 92 3.942 3.931 0.011 1
1 1047 . 10 1 1 A 92 92 GLU C C 92 179.568 179.024 0.544 1
1 1048 . 10 1 1 A 92 92 GLU CA C 92 60.206 59.587 0.619 1
1 1049 . 10 1 1 A 92 92 GLU CB C 92 28.721 29.250 -0.529 1
1 1051 . 10 1 1 A 92 92 GLU N N 92 118.712 118.496 0.216 1
1 1052 . 10 1 1 A 93 93 LEU H H 93 7.852 8.137 -0.285 1
1 1053 . 10 1 1 A 93 93 LEU HA H 93 4.274 4.132 0.142 1
1 1063 . 10 1 1 A 93 93 LEU C C 93 178.805 178.687 0.118 1
1 1064 . 10 1 1 A 93 93 LEU CA C 93 57.382 57.454 -0.072 1
1 1065 . 10 1 1 A 93 93 LEU CB C 93 43.115 41.375 1.740 1
1 1069 . 10 1 1 A 93 93 LEU N N 93 121.212 121.682 -0.470 1
1 1070 . 10 1 1 A 94 94 GLN H H 94 8.080 8.674 -0.594 1
1 1071 . 10 1 1 A 94 94 GLN HA H 94 3.843 4.287 -0.444 1
1 1078 . 10 1 1 A 94 94 GLN C C 94 176.960 178.106 -1.146 1
1 1079 . 10 1 1 A 94 94 GLN CA C 94 59.694 58.895 0.799 1
1 1080 . 10 1 1 A 94 94 GLN CB C 94 28.063 28.901 -0.838 1
1 1082 . 10 1 1 A 94 94 GLN N N 94 120.439 119.176 1.263 1
1 1084 . 10 1 1 A 95 95 GLN H H 95 8.293 7.856 0.437 1
1 1085 . 10 1 1 A 95 95 GLN HA H 95 3.779 4.099 -0.320 1
1 1092 . 10 1 1 A 95 95 GLN C C 95 177.938 178.014 -0.076 1
1 1093 . 10 1 1 A 95 95 GLN CA C 95 59.005 58.611 0.394 1
1 1094 . 10 1 1 A 95 95 GLN CB C 95 27.610 28.903 -1.293 1
1 1096 . 10 1 1 A 95 95 GLN N N 95 117.408 118.874 -1.466 1
1 1098 . 10 1 1 A 96 96 GLN H H 96 7.731 7.817 -0.086 1
1 1099 . 10 1 1 A 96 96 GLN HA H 96 3.966 3.999 -0.033 1
1 1106 . 10 1 1 A 96 96 GLN C C 96 179.685 177.384 2.301 1
1 1107 . 10 1 1 A 96 96 GLN CA C 96 58.987 58.037 0.950 1
1 1108 . 10 1 1 A 96 96 GLN CB C 96 28.433 27.881 0.552 1
1 1110 . 10 1 1 A 96 96 GLN N N 96 119.621 117.082 2.539 1
1 1112 . 10 1 1 A 97 97 TRP H H 97 8.410 7.212 1.198 1
1 1113 . 10 1 1 A 97 97 TRP HA H 97 3.792 4.446 -0.654 1
1 1122 . 10 1 1 A 97 97 TRP C C 97 178.515 178.720 -0.205 1
1 1123 . 10 1 1 A 97 97 TRP CA C 97 61.670 59.489 2.181 1
1 1124 . 10 1 1 A 97 97 TRP CB C 97 29.972 29.568 0.404 1
1 1130 . 10 1 1 A 97 97 TRP N N 97 121.370 119.737 1.633 1
1 1132 . 10 1 1 A 98 98 LEU H H 98 8.505 8.053 0.452 1
1 1133 . 10 1 1 A 98 98 LEU HA H 98 3.485 3.594 -0.109 1
1 1143 . 10 1 1 A 98 98 LEU C C 98 180.194 178.771 1.423 1
1 1144 . 10 1 1 A 98 98 LEU CA C 98 58.706 57.868 0.838 1
1 1145 . 10 1 1 A 98 98 LEU CB C 98 41.141 41.421 -0.280 1
1 1149 . 10 1 1 A 98 98 LEU N N 98 119.038 120.249 -1.211 1
1 1150 . 10 1 1 A 99 99 GLU H H 99 8.241 8.454 -0.213 1
1 1151 . 10 1 1 A 99 99 GLU HA H 99 3.927 4.017 -0.090 1
1 1156 . 10 1 1 A 99 99 GLU C C 99 179.082 178.918 0.164 1
1 1157 . 10 1 1 A 99 99 GLU CA C 99 59.587 58.964 0.623 1
1 1158 . 10 1 1 A 99 99 GLU CB C 99 29.296 29.308 -0.012 1
1 1160 . 10 1 1 A 99 99 GLU N N 99 119.886 117.647 2.239 1
1 1161 . 10 1 1 A 100 100 THR H H 100 7.780 7.530 0.250 1
1 1162 . 10 1 1 A 100 100 THR HA H 100 3.862 3.859 0.003 1
1 1167 . 10 1 1 A 100 100 THR C C 100 176.899 176.235 0.664 1
1 1168 . 10 1 1 A 100 100 THR CA C 100 67.088 67.251 -0.163 1
1 1169 . 10 1 1 A 100 100 THR CB C 100 68.178 68.860 -0.682 1
1 1171 . 10 1 1 A 100 100 THR N N 100 116.913 116.974 -0.061 1
1 1172 . 10 1 1 A 101 101 LEU H H 101 9.159 8.242 0.917 1
1 1173 . 10 1 1 A 101 101 LEU HA H 101 3.993 3.842 0.151 1
1 1183 . 10 1 1 A 101 101 LEU C C 101 178.416 179.015 -0.599 1
1 1184 . 10 1 1 A 101 101 LEU CA C 101 58.017 58.062 -0.045 1
1 1185 . 10 1 1 A 101 101 LEU CB C 101 42.004 41.749 0.255 1
1 1189 . 10 1 1 A 101 101 LEU N N 101 121.065 120.295 0.770 1
1 1190 . 10 1 1 A 102 102 SER H H 102 7.978 8.287 -0.309 1
1 1191 . 10 1 1 A 102 102 SER HA H 102 4.094 4.025 0.069 1
1 1194 . 10 1 1 A 102 102 SER C C 102 176.370 176.906 -0.536 1
1 1195 . 10 1 1 A 102 102 SER CA C 102 61.794 61.609 0.185 1
1 1196 . 10 1 1 A 102 102 SER CB C 102 62.855 62.941 -0.086 1
1 1197 . 10 1 1 A 102 102 SER N N 102 112.923 113.360 -0.437 1
1 1198 . 10 1 1 A 103 103 THR H H 103 7.683 8.181 -0.498 1
1 1199 . 10 1 1 A 103 103 THR HA H 103 4.020 3.728 0.292 1
1 1204 . 10 1 1 A 103 103 THR C C 103 176.061 176.635 -0.574 1
1 1205 . 10 1 1 A 103 103 THR CA C 103 65.412 66.528 -1.116 1
1 1206 . 10 1 1 A 103 103 THR CB C 103 68.918 68.157 0.761 1
1 1208 . 10 1 1 A 103 103 THR N N 103 116.420 116.220 0.200 1
1 1209 . 10 1 1 A 104 104 ALA H H 104 7.760 8.123 -0.363 1
1 1210 . 10 1 1 A 104 104 ALA HA H 104 4.272 3.986 0.286 1
1 1214 . 10 1 1 A 104 104 ALA C C 104 178.160 179.747 -1.587 1
1 1215 . 10 1 1 A 104 104 ALA CA C 104 54.011 55.370 -1.359 1
1 1216 . 10 1 1 A 104 104 ALA CB C 104 20.155 18.350 1.805 1
1 1217 . 10 1 1 A 104 104 ALA N N 104 123.981 123.189 0.792 1
1 1218 . 10 1 1 A 105 105 ALA H H 105 7.824 8.094 -0.270 1
1 1219 . 10 1 1 A 105 105 ALA HA H 105 4.092 4.115 -0.023 1
1 1223 . 10 1 1 A 105 105 ALA C C 105 177.657 177.604 0.053 1
1 1224 . 10 1 1 A 105 105 ALA CA C 105 53.058 55.485 -2.427 1
1 1225 . 10 1 1 A 105 105 ALA CB C 105 19.067 19.159 -0.092 1
1 1226 . 10 1 1 A 105 105 ALA N N 105 118.227 118.780 -0.553 1
1 1227 . 10 1 1 A 106 106 HIS H H 106 7.675 7.815 -0.140 1
1 1228 . 10 1 1 A 106 106 HIS HA H 106 4.703 4.992 -0.289 1
1 1233 . 10 1 1 A 106 106 HIS C C 106 175.296 175.034 0.262 1
1 1234 . 10 1 1 A 106 106 HIS CA C 106 56.287 54.133 2.154 1
1 1235 . 10 1 1 A 106 106 HIS CB C 106 30.407 32.509 -2.102 1
1 1238 . 10 1 1 A 106 106 HIS N N 106 115.860 111.333 4.527 1
1 1239 . 10 1 1 A 107 107 SER H H 107 8.015 8.554 -0.539 1
1 1240 . 10 1 1 A 107 107 SER HA H 107 4.560 4.367 0.193 1
1 1243 . 10 1 1 A 107 107 SER C C 107 174.345 174.658 -0.313 1
1 1244 . 10 1 1 A 107 107 SER CA C 107 58.546 59.053 -0.507 1
1 1245 . 10 1 1 A 107 107 SER CB C 107 64.130 64.466 -0.336 1
1 1246 . 10 1 1 A 107 107 SER N N 107 116.310 115.835 0.475 1
1 1247 . 10 1 1 A 108 108 GLY H H 108 8.282 8.168 0.114 1
1 1248 . 10 1 1 A 108 108 GLY HA2 H 108 4.213 4.114 0.099 1
1 1249 . 10 1 1 A 108 108 GLY HA3 H 108 4.042 4.325 -0.283 1
1 1250 . 10 1 1 A 108 108 GLY C C 108 171.750 173.894 -2.144 1
1 1251 . 10 1 1 A 108 108 GLY CA C 108 44.640 45.861 -1.221 1
1 1252 . 10 1 1 A 108 108 GLY N N 108 110.511 110.515 -0.004 1
1 1253 . 10 1 1 A 109 109 PRO HA H 109 4.497 4.585 -0.088 1
1 1260 . 10 1 1 A 109 109 PRO C C 109 177.419 176.320 1.099 1
1 1261 . 10 1 1 A 109 109 PRO CA C 109 63.241 62.417 0.824 1
1 1262 . 10 1 1 A 109 109 PRO CB C 109 32.264 32.935 -0.671 1
1 1265 . 10 1 1 A 110 110 SER H H 110 8.558 8.361 0.197 1
1 1266 . 10 1 1 A 110 110 SER C C 110 174.715 174.828 -0.113 1
1 1267 . 10 1 1 A 110 110 SER CA C 110 58.335 58.780 -0.445 1
1 1268 . 10 1 1 A 110 110 SER CB C 110 63.759 64.094 -0.335 1
1 1269 . 10 1 1 A 110 110 SER N N 110 116.470 117.609 -1.139 1
1 1270 . 10 1 1 A 111 111 SER H H 111 8.357 8.527 -0.170 1
1 1271 . 10 1 1 A 111 111 SER C C 111 173.931 175.284 -1.353 1
1 1272 . 10 1 1 A 111 111 SER CA C 111 58.335 58.476 -0.141 1
1 1 . 11 1 1 A 8 8 SER HA H 8 5.012 4.471 0.541 1
1 4 . 11 1 1 A 8 8 SER CA C 8 58.166 59.676 -1.510 1
1 5 . 11 1 1 A 8 8 SER CB C 8 64.582 63.555 1.027 1
1 6 . 11 1 1 A 9 9 LEU H H 9 9.253 8.585 0.668 1
1 7 . 11 1 1 A 9 9 LEU HA H 9 4.091 3.951 0.140 1
1 17 . 11 1 1 A 9 9 LEU C C 9 176.799 176.368 0.431 1
1 18 . 11 1 1 A 9 9 LEU CA C 9 57.523 58.080 -0.557 1
1 19 . 11 1 1 A 9 9 LEU CB C 9 42.703 42.044 0.659 1
1 23 . 11 1 1 A 9 9 LEU N N 9 127.432 127.393 0.039 1
1 24 . 11 1 1 A 10 10 LEU H H 10 6.827 7.893 -1.066 1
1 25 . 11 1 1 A 10 10 LEU HA H 10 4.201 4.670 -0.469 1
1 35 . 11 1 1 A 10 10 LEU C C 10 173.779 174.495 -0.716 1
1 36 . 11 1 1 A 10 10 LEU CA C 10 54.399 53.714 0.685 1
1 37 . 11 1 1 A 10 10 LEU CB C 10 45.006 45.830 -0.824 1
1 41 . 11 1 1 A 10 10 LEU N N 10 116.105 117.817 -1.712 1
1 42 . 11 1 1 A 11 11 CYS H H 11 7.989 8.809 -0.820 1
1 43 . 11 1 1 A 11 11 CYS HA H 11 5.743 5.209 0.534 1
1 46 . 11 1 1 A 11 11 CYS C C 11 172.654 173.181 -0.527 1
1 47 . 11 1 1 A 11 11 CYS CA C 11 55.546 57.143 -1.597 1
1 48 . 11 1 1 A 11 11 CYS CB C 11 31.333 31.098 0.235 1
1 49 . 11 1 1 A 11 11 CYS N N 11 117.939 122.633 -4.694 1
1 50 . 11 1 1 A 12 12 GLY H H 12 8.479 7.318 1.161 1
1 51 . 11 1 1 A 12 12 GLY HA2 H 12 4.419 3.853 0.566 1
1 52 . 11 1 1 A 12 12 GLY HA3 H 12 2.832 4.111 -1.279 1
1 53 . 11 1 1 A 12 12 GLY C C 12 168.720 171.576 -2.856 1
1 54 . 11 1 1 A 12 12 GLY CA C 12 44.710 44.772 -0.062 1
1 55 . 11 1 1 A 12 12 GLY N N 12 109.046 106.736 2.310 1
1 56 . 11 1 1 A 13 13 PRO HA H 13 5.163 4.529 0.634 1
1 63 . 11 1 1 A 13 13 PRO C C 13 177.501 175.149 2.352 1
1 64 . 11 1 1 A 13 13 PRO CA C 13 62.182 63.203 -1.021 1
1 65 . 11 1 1 A 13 13 PRO CB C 13 32.587 32.182 0.405 1
1 68 . 11 1 1 A 14 14 LEU H H 14 8.630 8.367 0.263 1
1 69 . 11 1 1 A 14 14 LEU HA H 14 4.764 4.960 -0.196 1
1 79 . 11 1 1 A 14 14 LEU C C 14 175.698 174.378 1.320 1
1 80 . 11 1 1 A 14 14 LEU CA C 14 53.975 53.018 0.957 1
1 81 . 11 1 1 A 14 14 LEU CB C 14 48.936 45.683 3.253 1
1 85 . 11 1 1 A 14 14 LEU N N 14 122.246 123.818 -1.572 1
1 86 . 11 1 1 A 15 15 ARG H H 15 8.498 8.118 0.380 1
1 87 . 11 1 1 A 15 15 ARG HA H 15 5.421 5.274 0.147 1
1 95 . 11 1 1 A 15 15 ARG C C 15 174.664 174.624 0.040 1
1 96 . 11 1 1 A 15 15 ARG CA C 15 54.858 54.501 0.357 1
1 97 . 11 1 1 A 15 15 ARG CB C 15 34.085 33.743 0.342 1
1 100 . 11 1 1 A 15 15 ARG N N 15 118.593 123.672 -5.079 1
1 102 . 11 1 1 A 16 16 LEU H H 16 9.244 8.717 0.527 1
1 103 . 11 1 1 A 16 16 LEU HA H 16 5.662 5.808 -0.146 1
1 113 . 11 1 1 A 16 16 LEU C C 16 176.872 174.653 2.219 1
1 114 . 11 1 1 A 16 16 LEU CA C 16 53.746 53.462 0.284 1
1 115 . 11 1 1 A 16 16 LEU CB C 16 47.803 46.885 0.918 1
1 119 . 11 1 1 A 16 16 LEU N N 16 123.893 125.369 -1.476 1
1 120 . 11 1 1 A 17 17 SER H H 17 8.982 8.299 0.683 1
1 121 . 11 1 1 A 17 17 SER HA H 17 4.484 5.120 -0.636 1
1 124 . 11 1 1 A 17 17 SER C C 17 173.790 173.019 0.771 1
1 125 . 11 1 1 A 17 17 SER CA C 17 57.081 56.873 0.208 1
1 126 . 11 1 1 A 17 17 SER CB C 17 64.487 65.330 -0.843 1
1 127 . 11 1 1 A 17 17 SER N N 17 117.455 118.843 -1.388 1
1 128 . 11 1 1 A 18 18 GLU H H 18 9.102 8.552 0.550 1
1 129 . 11 1 1 A 18 18 GLU HA H 18 3.832 4.242 -0.410 1
1 134 . 11 1 1 A 18 18 GLU C C 18 176.185 177.087 -0.902 1
1 135 . 11 1 1 A 18 18 GLU CA C 18 58.793 56.213 2.580 1
1 136 . 11 1 1 A 18 18 GLU CB C 18 30.037 29.071 0.966 1
1 138 . 11 1 1 A 18 18 GLU N N 18 129.354 124.610 4.744 1
1 139 . 11 1 1 A 19 19 SER H H 19 7.792 8.885 -1.093 1
1 140 . 11 1 1 A 19 19 SER HA H 19 4.650 4.033 0.617 1
1 143 . 11 1 1 A 19 19 SER C C 19 175.321 173.688 1.633 1
1 144 . 11 1 1 A 19 19 SER CA C 19 57.699 58.780 -1.081 1
1 145 . 11 1 1 A 19 19 SER CB C 19 65.816 60.769 5.047 1
1 146 . 11 1 1 A 19 19 SER N N 19 108.812 119.785 -10.973 1
1 147 . 11 1 1 A 20 20 GLY H H 20 8.376 7.805 0.571 1
1 148 . 11 1 1 A 20 20 GLY HA2 H 20 3.931 3.008 0.923 1
1 149 . 11 1 1 A 20 20 GLY HA3 H 20 2.690 3.419 -0.729 1
1 150 . 11 1 1 A 20 20 GLY C C 20 172.644 174.234 -1.590 1
1 151 . 11 1 1 A 20 20 GLY CA C 20 44.746 46.170 -1.424 1
1 152 . 11 1 1 A 20 20 GLY N N 20 111.458 108.796 2.662 1
1 153 . 11 1 1 A 21 21 GLU H H 21 7.522 7.265 0.257 1
1 154 . 11 1 1 A 21 21 GLU HA H 21 4.274 4.301 -0.027 1
1 159 . 11 1 1 A 21 21 GLU C C 21 176.266 175.341 0.925 1
1 160 . 11 1 1 A 21 21 GLU CA C 21 58.069 57.611 0.458 1
1 161 . 11 1 1 A 21 21 GLU CB C 21 31.024 31.094 -0.070 1
1 163 . 11 1 1 A 21 21 GLU N N 21 119.071 120.086 -1.015 1
1 164 . 11 1 1 A 22 22 THR H H 22 7.436 7.734 -0.298 1
1 165 . 11 1 1 A 22 22 THR HA H 22 4.618 4.682 -0.064 1
1 170 . 11 1 1 A 22 22 THR C C 22 173.662 172.304 1.358 1
1 171 . 11 1 1 A 22 22 THR CA C 22 60.682 59.431 1.251 1
1 172 . 11 1 1 A 22 22 THR CB C 22 70.504 71.260 -0.756 1
1 174 . 11 1 1 A 22 22 THR N N 22 111.176 112.096 -0.920 1
1 175 . 11 1 1 A 23 23 TRP H H 23 9.121 8.902 0.219 1
1 176 . 11 1 1 A 23 23 TRP HA H 23 4.983 5.595 -0.612 1
1 185 . 11 1 1 A 23 23 TRP C C 23 175.888 175.913 -0.025 1
1 186 . 11 1 1 A 23 23 TRP CA C 23 56.570 56.577 -0.007 1
1 187 . 11 1 1 A 23 23 TRP CB C 23 32.176 31.727 0.449 1
1 193 . 11 1 1 A 23 23 TRP N N 23 127.096 129.096 -2.000 1
1 195 . 11 1 1 A 24 24 SER H H 24 9.273 8.806 0.467 1
1 196 . 11 1 1 A 24 24 SER HA H 24 4.948 5.126 -0.178 1
1 199 . 11 1 1 A 24 24 SER C C 24 173.268 172.921 0.347 1
1 200 . 11 1 1 A 24 24 SER CA C 24 57.346 57.757 -0.411 1
1 201 . 11 1 1 A 24 24 SER CB C 24 65.445 66.994 -1.549 1
1 202 . 11 1 1 A 24 24 SER N N 24 118.031 115.762 2.269 1
1 203 . 11 1 1 A 25 25 GLU H H 25 8.990 8.502 0.488 1
1 204 . 11 1 1 A 25 25 GLU HA H 25 4.737 4.927 -0.190 1
1 209 . 11 1 1 A 25 25 GLU C C 25 176.246 176.229 0.017 1
1 210 . 11 1 1 A 25 25 GLU CA C 25 57.170 56.194 0.976 1
1 211 . 11 1 1 A 25 25 GLU CB C 25 30.202 30.695 -0.493 1
1 213 . 11 1 1 A 25 25 GLU N N 25 125.088 122.563 2.525 1
1 214 . 11 1 1 A 26 26 VAL H H 26 9.012 8.836 0.176 1
1 215 . 11 1 1 A 26 26 VAL HA H 26 5.002 5.057 -0.055 1
1 223 . 11 1 1 A 26 26 VAL C C 26 174.304 173.481 0.823 1
1 224 . 11 1 1 A 26 26 VAL CA C 26 58.917 59.234 -0.317 1
1 225 . 11 1 1 A 26 26 VAL CB C 26 35.753 36.133 -0.380 1
1 228 . 11 1 1 A 26 26 VAL N N 26 118.076 117.984 0.092 1
1 229 . 11 1 1 A 27 27 TRP H H 27 8.880 8.658 0.222 1
1 230 . 11 1 1 A 27 27 TRP HA H 27 4.814 5.496 -0.682 1
1 239 . 11 1 1 A 27 27 TRP C C 27 174.255 174.053 0.202 1
1 240 . 11 1 1 A 27 27 TRP CA C 27 57.117 55.136 1.981 1
1 241 . 11 1 1 A 27 27 TRP CB C 27 30.325 32.672 -2.347 1
1 247 . 11 1 1 A 27 27 TRP N N 27 122.873 125.150 -2.277 1
1 249 . 11 1 1 A 28 28 ALA H H 28 8.482 8.573 -0.091 1
1 250 . 11 1 1 A 28 28 ALA HA H 28 5.329 5.252 0.077 1
1 254 . 11 1 1 A 28 28 ALA C C 28 175.519 175.760 -0.241 1
1 255 . 11 1 1 A 28 28 ALA CA C 28 49.670 50.121 -0.451 1
1 256 . 11 1 1 A 28 28 ALA CB C 28 23.827 22.051 1.776 1
1 257 . 11 1 1 A 28 28 ALA N N 28 133.586 129.789 3.797 1
1 258 . 11 1 1 A 29 29 ALA H H 29 8.948 8.771 0.177 1
1 259 . 11 1 1 A 29 29 ALA HA H 29 5.160 5.288 -0.128 1
1 263 . 11 1 1 A 29 29 ALA C C 29 175.956 176.036 -0.080 1
1 264 . 11 1 1 A 29 29 ALA CA C 29 52.210 52.152 0.058 1
1 265 . 11 1 1 A 29 29 ALA CB C 29 23.697 22.977 0.720 1
1 266 . 11 1 1 A 29 29 ALA N N 29 119.901 121.796 -1.895 1
1 267 . 11 1 1 A 30 30 ILE H H 30 8.245 8.817 -0.572 1
1 268 . 11 1 1 A 30 30 ILE HA H 30 5.313 4.702 0.611 1
1 278 . 11 1 1 A 30 30 ILE C C 30 174.004 174.555 -0.551 1
1 279 . 11 1 1 A 30 30 ILE CA C 30 57.699 58.142 -0.443 1
1 280 . 11 1 1 A 30 30 ILE CB C 30 40.565 37.895 2.670 1
1 284 . 11 1 1 A 30 30 ILE N N 30 122.332 122.657 -0.325 1
1 285 . 11 1 1 A 31 31 PRO HA H 31 4.655 4.667 -0.012 1
1 292 . 11 1 1 A 31 31 PRO C C 31 177.566 177.903 -0.337 1
1 293 . 11 1 1 A 31 31 PRO CA C 31 62.464 62.510 -0.046 1
1 294 . 11 1 1 A 31 31 PRO CB C 31 31.929 31.593 0.336 1
1 297 . 11 1 1 A 32 32 MET H H 32 8.572 8.665 -0.093 1
1 298 . 11 1 1 A 32 32 MET HA H 32 3.997 4.123 -0.126 1
1 306 . 11 1 1 A 32 32 MET C C 32 177.770 178.321 -0.551 1
1 307 . 11 1 1 A 32 32 MET CA C 32 58.158 58.683 -0.525 1
1 308 . 11 1 1 A 32 32 MET CB C 32 31.929 32.353 -0.424 1
1 311 . 11 1 1 A 32 32 MET N N 32 121.580 124.356 -2.776 1
1 312 . 11 1 1 A 33 33 SER H H 33 8.163 8.252 -0.089 1
1 313 . 11 1 1 A 33 33 SER HA H 33 4.213 4.271 -0.058 1
1 316 . 11 1 1 A 33 33 SER C C 33 174.424 174.411 0.013 1
1 317 . 11 1 1 A 33 33 SER CA C 33 58.864 61.294 -2.430 1
1 318 . 11 1 1 A 33 33 SER CB C 33 63.225 62.767 0.458 1
1 319 . 11 1 1 A 33 33 SER N N 33 109.218 114.398 -5.180 1
1 320 . 11 1 1 A 34 34 ASP H H 34 7.179 7.653 -0.474 1
1 321 . 11 1 1 A 34 34 ASP HA H 34 4.912 5.090 -0.178 1
1 324 . 11 1 1 A 34 34 ASP C C 34 171.847 174.229 -2.382 1
1 325 . 11 1 1 A 34 34 ASP CA C 34 52.581 51.195 1.386 1
1 326 . 11 1 1 A 34 34 ASP CB C 34 41.223 41.397 -0.174 1
1 327 . 11 1 1 A 34 34 ASP N N 34 120.601 120.381 0.220 1
1 328 . 11 1 1 A 35 35 PRO HA H 35 4.510 4.588 -0.078 1
1 335 . 11 1 1 A 35 35 PRO C C 35 175.635 176.136 -0.501 1
1 336 . 11 1 1 A 35 35 PRO CA C 35 64.511 63.953 0.558 1
1 337 . 11 1 1 A 35 35 PRO CB C 35 31.729 32.191 -0.462 1
1 340 . 11 1 1 A 36 36 GLN H H 36 7.982 8.335 -0.353 1
1 341 . 11 1 1 A 36 36 GLN HA H 36 4.472 4.451 0.021 1
1 348 . 11 1 1 A 36 36 GLN C C 36 174.646 174.843 -0.197 1
1 349 . 11 1 1 A 36 36 GLN CA C 36 55.193 55.874 -0.681 1
1 350 . 11 1 1 A 36 36 GLN CB C 36 29.420 29.628 -0.208 1
1 352 . 11 1 1 A 36 36 GLN N N 36 114.393 117.898 -3.505 1
1 354 . 11 1 1 A 37 37 VAL H H 37 7.878 7.600 0.278 1
1 355 . 11 1 1 A 37 37 VAL HA H 37 4.546 4.894 -0.348 1
1 363 . 11 1 1 A 37 37 VAL C C 37 172.485 172.799 -0.314 1
1 364 . 11 1 1 A 37 37 VAL CA C 37 60.987 60.281 0.706 1
1 365 . 11 1 1 A 37 37 VAL CB C 37 35.218 34.819 0.399 1
1 368 . 11 1 1 A 37 37 VAL N N 37 120.432 119.461 0.971 1
1 369 . 11 1 1 A 38 38 LEU H H 38 7.992 8.783 -0.791 1
1 370 . 11 1 1 A 38 38 LEU HA H 38 4.770 5.203 -0.433 1
1 380 . 11 1 1 A 38 38 LEU C C 38 175.193 175.166 0.027 1
1 381 . 11 1 1 A 38 38 LEU CA C 38 53.146 53.230 -0.084 1
1 382 . 11 1 1 A 38 38 LEU CB C 38 45.359 44.241 1.118 1
1 386 . 11 1 1 A 38 38 LEU N N 38 123.585 130.060 -6.475 1
1 387 . 11 1 1 A 39 39 HIS H H 39 9.442 9.142 0.300 1
1 388 . 11 1 1 A 39 39 HIS HA H 39 5.212 4.975 0.237 1
1 393 . 11 1 1 A 39 39 HIS C C 39 175.351 175.727 -0.376 1
1 394 . 11 1 1 A 39 39 HIS CA C 39 55.211 56.309 -1.098 1
1 395 . 11 1 1 A 39 39 HIS CB C 39 32.669 31.059 1.610 1
1 398 . 11 1 1 A 39 39 HIS N N 39 126.949 126.140 0.809 1
1 399 . 11 1 1 A 40 40 LEU H H 40 8.424 8.370 0.054 1
1 400 . 11 1 1 A 40 40 LEU HA H 40 5.082 5.060 0.022 1
1 410 . 11 1 1 A 40 40 LEU C C 40 176.050 175.451 0.599 1
1 411 . 11 1 1 A 40 40 LEU CA C 40 53.552 53.382 0.170 1
1 412 . 11 1 1 A 40 40 LEU CB C 40 44.019 44.859 -0.840 1
1 416 . 11 1 1 A 40 40 LEU N N 40 122.395 123.475 -1.080 1
1 417 . 11 1 1 A 41 41 GLN H H 41 8.972 9.220 -0.248 1
1 418 . 11 1 1 A 41 41 GLN HA H 41 4.723 4.942 -0.219 1
1 425 . 11 1 1 A 41 41 GLN C C 41 175.453 174.791 0.662 1
1 426 . 11 1 1 A 41 41 GLN CA C 41 54.840 54.324 0.516 1
1 427 . 11 1 1 A 41 41 GLN CB C 41 31.946 30.591 1.355 1
1 429 . 11 1 1 A 41 41 GLN N N 41 121.779 122.684 -0.905 1
1 431 . 11 1 1 A 42 42 GLY H H 42 8.739 8.300 0.439 1
1 432 . 11 1 1 A 42 42 GLY HA2 H 42 4.252 4.156 0.096 1
1 433 . 11 1 1 A 42 42 GLY HA3 H 42 4.200 4.161 0.039 1
1 434 . 11 1 1 A 42 42 GLY C C 42 173.938 173.894 0.044 1
1 435 . 11 1 1 A 42 42 GLY CA C 42 44.746 45.413 -0.667 1
1 436 . 11 1 1 A 42 42 GLY N N 42 112.892 112.077 0.815 1
1 437 . 11 1 1 A 43 43 GLY H H 43 8.709 8.240 0.469 1
1 438 . 11 1 1 A 43 43 GLY HA2 H 43 4.110 4.202 -0.092 1
1 439 . 11 1 1 A 43 43 GLY HA3 H 43 3.962 4.213 -0.251 1
1 440 . 11 1 1 A 43 43 GLY C C 43 174.713 173.444 1.269 1
1 441 . 11 1 1 A 43 43 GLY CA C 43 45.346 45.033 0.313 1
1 442 . 11 1 1 A 43 43 GLY N N 43 108.768 108.288 0.480 1
1 443 . 11 1 1 A 44 44 SER H H 44 8.369 8.853 -0.484 1
1 444 . 11 1 1 A 44 44 SER C C 44 175.312 176.090 -0.778 1
1 445 . 11 1 1 A 44 44 SER CA C 44 58.723 59.548 -0.825 1
1 446 . 11 1 1 A 44 44 SER CB C 44 63.924 65.127 -1.203 1
1 447 . 11 1 1 A 44 44 SER N N 44 115.582 119.722 -4.140 1
1 448 . 11 1 1 A 45 45 GLN HA H 45 4.346 3.976 0.370 1
1 455 . 11 1 1 A 45 45 GLN C C 45 175.931 177.130 -1.199 1
1 456 . 11 1 1 A 45 45 GLN CA C 45 56.358 59.427 -3.069 1
1 457 . 11 1 1 A 45 45 GLN CB C 45 28.392 28.443 -0.051 1
1 460 . 11 1 1 A 46 46 ASP H H 46 8.053 8.020 0.033 1
1 461 . 11 1 1 A 46 46 ASP HA H 46 4.615 4.751 -0.136 1
1 464 . 11 1 1 A 46 46 ASP C C 46 176.998 176.530 0.468 1
1 465 . 11 1 1 A 46 46 ASP CA C 46 54.188 55.503 -1.315 1
1 466 . 11 1 1 A 46 46 ASP CB C 46 41.099 43.176 -2.077 1
1 467 . 11 1 1 A 46 46 ASP N N 46 119.460 116.751 2.709 1
1 468 . 11 1 1 A 47 47 GLY H H 47 8.311 7.870 0.441 1
1 469 . 11 1 1 A 47 47 GLY HA2 H 47 3.970 3.987 -0.017 1
1 470 . 11 1 1 A 47 47 GLY HA3 H 47 3.970 3.993 -0.023 1
1 471 . 11 1 1 A 47 47 GLY C C 47 174.725 174.858 -0.133 1
1 472 . 11 1 1 A 47 47 GLY CA C 47 45.892 46.094 -0.202 1
1 473 . 11 1 1 A 47 47 GLY N N 47 109.753 107.379 2.374 1
1 474 . 11 1 1 A 48 48 ARG H H 48 8.300 7.871 0.429 1
1 475 . 11 1 1 A 48 48 ARG HA H 48 4.308 4.148 0.160 1
1 482 . 11 1 1 A 48 48 ARG C C 48 176.347 176.997 -0.650 1
1 483 . 11 1 1 A 48 48 ARG CA C 48 56.782 58.084 -1.302 1
1 484 . 11 1 1 A 48 48 ARG CB C 48 30.654 30.286 0.368 1
1 487 . 11 1 1 A 48 48 ARG N N 48 119.526 121.692 -2.166 1
1 488 . 11 1 1 A 49 49 LEU H H 49 7.682 7.411 0.271 1
1 489 . 11 1 1 A 49 49 LEU HA H 49 4.252 4.016 0.236 1
1 499 . 11 1 1 A 49 49 LEU C C 49 174.707 174.751 -0.044 1
1 500 . 11 1 1 A 49 49 LEU CA C 49 53.040 53.552 -0.512 1
1 501 . 11 1 1 A 49 49 LEU CB C 49 41.759 41.000 0.759 1
1 505 . 11 1 1 A 49 49 LEU N N 49 121.049 122.066 -1.017 1
1 506 . 11 1 1 A 50 50 PRO HA H 50 4.392 4.712 -0.320 1
1 513 . 11 1 1 A 50 50 PRO C C 50 175.058 177.948 -2.890 1
1 514 . 11 1 1 A 50 50 PRO CA C 50 62.323 62.568 -0.245 1
1 515 . 11 1 1 A 50 50 PRO CB C 50 31.353 31.778 -0.425 1
1 518 . 11 1 1 A 51 51 ARG H H 51 8.295 8.938 -0.643 1
1 519 . 11 1 1 A 51 51 ARG HA H 51 4.511 3.926 0.585 1
1 526 . 11 1 1 A 51 51 ARG C C 51 177.443 176.275 1.168 1
1 527 . 11 1 1 A 51 51 ARG CA C 51 56.728 59.084 -2.356 1
1 528 . 11 1 1 A 51 51 ARG CB C 51 31.194 30.388 0.806 1
1 531 . 11 1 1 A 51 51 ARG N N 51 119.201 122.283 -3.082 1
1 532 . 11 1 1 A 52 52 THR H H 52 7.372 7.919 -0.547 1
1 533 . 11 1 1 A 52 52 THR HA H 52 4.963 4.671 0.292 1
1 538 . 11 1 1 A 52 52 THR C C 52 173.287 173.639 -0.352 1
1 539 . 11 1 1 A 52 52 THR CA C 52 59.411 60.281 -0.870 1
1 540 . 11 1 1 A 52 52 THR CB C 52 71.632 71.317 0.315 1
1 542 . 11 1 1 A 52 52 THR N N 52 109.591 109.449 0.142 1
1 543 . 11 1 1 A 53 53 ILE H H 53 8.742 8.567 0.175 1
1 544 . 11 1 1 A 53 53 ILE HA H 53 3.845 4.477 -0.632 1
1 554 . 11 1 1 A 53 53 ILE C C 53 173.374 174.475 -1.101 1
1 555 . 11 1 1 A 53 53 ILE CA C 53 57.735 57.401 0.334 1
1 556 . 11 1 1 A 53 53 ILE CB C 53 41.196 39.304 1.892 1
1 560 . 11 1 1 A 53 53 ILE N N 53 123.236 124.952 -1.716 1
1 561 . 11 1 1 A 54 54 PRO HA H 54 4.541 4.597 -0.056 1
1 568 . 11 1 1 A 54 54 PRO CA C 54 61.292 62.092 -0.800 1
1 569 . 11 1 1 A 54 54 PRO CB C 54 30.119 29.653 0.466 1
1 572 . 11 1 1 A 55 55 LEU H H 55 8.146 7.935 0.211 1
1 573 . 11 1 1 A 55 55 LEU HA H 55 4.262 3.786 0.476 1
1 583 . 11 1 1 A 55 55 LEU CA C 55 58.660 59.243 -0.583 1
1 584 . 11 1 1 A 55 55 LEU CB C 55 39.660 39.595 0.065 1
1 588 . 11 1 1 A 55 55 LEU N N 55 127.224 123.926 3.298 1
1 589 . 11 1 1 A 56 56 PRO HA H 56 4.630 4.179 0.451 1
1 596 . 11 1 1 A 56 56 PRO C C 56 177.498 177.059 0.439 1
1 597 . 11 1 1 A 56 56 PRO CA C 56 65.782 66.144 -0.362 1
1 598 . 11 1 1 A 56 56 PRO CB C 56 31.188 30.758 0.430 1
1 601 . 11 1 1 A 57 57 SER H H 57 7.722 8.340 -0.618 1
1 602 . 11 1 1 A 57 57 SER HA H 57 4.723 4.676 0.047 1
1 605 . 11 1 1 A 57 57 SER C C 57 174.102 172.342 1.760 1
1 606 . 11 1 1 A 57 57 SER CA C 57 58.423 57.850 0.573 1
1 607 . 11 1 1 A 57 57 SER CB C 57 63.924 63.760 0.164 1
1 608 . 11 1 1 A 57 57 SER N N 57 110.169 111.748 -1.579 1
1 609 . 11 1 1 A 58 58 CYS H H 58 8.002 7.958 0.044 1
1 610 . 11 1 1 A 58 58 CYS HA H 58 5.282 5.225 0.057 1
1 613 . 11 1 1 A 58 58 CYS C C 58 174.525 172.537 1.988 1
1 614 . 11 1 1 A 58 58 CYS CA C 58 59.447 57.515 1.932 1
1 615 . 11 1 1 A 58 58 CYS CB C 58 29.594 31.330 -1.736 1
1 616 . 11 1 1 A 58 58 CYS N N 58 118.902 121.090 -2.188 1
1 617 . 11 1 1 A 59 59 LYS H H 59 9.242 8.892 0.350 1
1 618 . 11 1 1 A 59 59 LYS HA H 59 4.777 4.922 -0.145 1
1 627 . 11 1 1 A 59 59 LYS C C 59 175.947 175.410 0.537 1
1 628 . 11 1 1 A 59 59 LYS CA C 59 55.299 54.524 0.775 1
1 629 . 11 1 1 A 59 59 LYS CB C 59 34.561 35.172 -0.611 1
1 633 . 11 1 1 A 59 59 LYS N N 59 122.306 125.541 -3.235 1
1 634 . 11 1 1 A 60 60 LEU H H 60 9.030 9.120 -0.090 1
1 635 . 11 1 1 A 60 60 LEU HA H 60 5.543 4.916 0.627 1
1 645 . 11 1 1 A 60 60 LEU C C 60 176.239 175.501 0.738 1
1 646 . 11 1 1 A 60 60 LEU CA C 60 53.958 53.982 -0.024 1
1 647 . 11 1 1 A 60 60 LEU CB C 60 44.454 41.539 2.915 1
1 651 . 11 1 1 A 60 60 LEU N N 60 129.520 128.293 1.227 1
1 652 . 11 1 1 A 61 61 SER H H 61 9.077 9.070 0.007 1
1 653 . 11 1 1 A 61 61 SER HA H 61 4.832 5.453 -0.621 1
1 656 . 11 1 1 A 61 61 SER C C 61 172.173 172.811 -0.638 1
1 657 . 11 1 1 A 61 61 SER CA C 61 57.558 56.728 0.830 1
1 658 . 11 1 1 A 61 61 SER CB C 61 65.692 65.004 0.688 1
1 659 . 11 1 1 A 61 61 SER N N 61 117.374 119.465 -2.091 1
1 660 . 11 1 1 A 62 62 VAL H H 62 8.784 8.940 -0.156 1
1 661 . 11 1 1 A 62 62 VAL HA H 62 4.927 4.610 0.317 1
1 669 . 11 1 1 A 62 62 VAL C C 62 174.367 175.175 -0.808 1
1 670 . 11 1 1 A 62 62 VAL CA C 62 59.782 59.626 0.156 1
1 671 . 11 1 1 A 62 62 VAL CB C 62 33.518 32.099 1.419 1
1 674 . 11 1 1 A 62 62 VAL N N 62 119.929 126.363 -6.434 1
1 675 . 11 1 1 A 63 63 PRO HA H 63 4.495 4.630 -0.135 1
1 682 . 11 1 1 A 63 63 PRO CA C 63 62.526 62.273 0.253 1
1 683 . 11 1 1 A 63 63 PRO CB C 63 32.504 32.604 -0.100 1
1 686 . 11 1 1 A 64 64 ASP H H 64 8.762 8.567 0.195 1
1 687 . 11 1 1 A 64 64 ASP HA H 64 4.780 4.653 0.127 1
1 690 . 11 1 1 A 64 64 ASP CA C 64 53.231 52.957 0.274 1
1 691 . 11 1 1 A 64 64 ASP CB C 64 41.105 39.755 1.350 1
1 692 . 11 1 1 A 64 64 ASP N N 64 123.527 121.225 2.302 1
1 693 . 11 1 1 A 65 65 PRO HA H 65 4.371 4.511 -0.140 1
1 700 . 11 1 1 A 65 65 PRO C C 65 178.309 177.968 0.341 1
1 701 . 11 1 1 A 65 65 PRO CA C 65 64.829 64.491 0.338 1
1 702 . 11 1 1 A 65 65 PRO CB C 65 32.136 32.040 0.096 1
1 705 . 11 1 1 A 66 66 GLU H H 66 8.890 8.814 0.076 1
1 706 . 11 1 1 A 66 66 GLU HA H 66 4.129 4.082 0.047 1
1 711 . 11 1 1 A 66 66 GLU C C 66 177.222 177.203 0.019 1
1 712 . 11 1 1 A 66 66 GLU CA C 66 57.805 59.037 -1.232 1
1 713 . 11 1 1 A 66 66 GLU CB C 66 29.334 28.743 0.591 1
1 715 . 11 1 1 A 66 66 GLU N N 66 117.225 116.331 0.894 1
1 716 . 11 1 1 A 67 67 GLU H H 67 7.971 8.040 -0.069 1
1 717 . 11 1 1 A 67 67 GLU HA H 67 4.136 4.405 -0.269 1
1 722 . 11 1 1 A 67 67 GLU C C 67 176.058 176.194 -0.136 1
1 723 . 11 1 1 A 67 67 GLU CA C 67 57.328 56.917 0.411 1
1 724 . 11 1 1 A 67 67 GLU CB C 67 29.594 30.682 -1.088 1
1 726 . 11 1 1 A 67 67 GLU N N 67 119.516 121.211 -1.695 1
1 727 . 11 1 1 A 68 68 ARG H H 68 8.020 8.514 -0.494 1
1 728 . 11 1 1 A 68 68 ARG HA H 68 4.043 4.710 -0.667 1
1 735 . 11 1 1 A 68 68 ARG C C 68 175.591 175.300 0.291 1
1 736 . 11 1 1 A 68 68 ARG CA C 68 56.075 54.674 1.401 1
1 737 . 11 1 1 A 68 68 ARG CB C 68 28.927 31.033 -2.106 1
1 740 . 11 1 1 A 68 68 ARG N N 68 118.917 120.956 -2.039 1
1 741 . 11 1 1 A 69 69 LEU H H 69 8.188 8.103 0.085 1
1 742 . 11 1 1 A 69 69 LEU HA H 69 4.372 4.615 -0.243 1
1 752 . 11 1 1 A 69 69 LEU C C 69 176.013 177.947 -1.934 1
1 753 . 11 1 1 A 69 69 LEU CA C 69 54.682 54.131 0.551 1
1 754 . 11 1 1 A 69 69 LEU CB C 69 43.238 42.464 0.774 1
1 758 . 11 1 1 A 69 69 LEU N N 69 122.935 124.298 -1.363 1
1 759 . 11 1 1 A 70 70 ASP H H 70 8.382 8.667 -0.285 1
1 760 . 11 1 1 A 70 70 ASP HA H 70 4.123 3.872 0.251 1
1 763 . 11 1 1 A 70 70 ASP C C 70 175.200 177.717 -2.517 1
1 764 . 11 1 1 A 70 70 ASP CA C 70 54.558 57.151 -2.593 1
1 765 . 11 1 1 A 70 70 ASP CB C 70 40.634 39.918 0.716 1
1 766 . 11 1 1 A 70 70 ASP N N 70 119.400 122.552 -3.152 1
1 767 . 11 1 1 A 71 71 SER H H 71 7.391 7.750 -0.359 1
1 768 . 11 1 1 A 71 71 SER HA H 71 4.233 4.454 -0.221 1
1 771 . 11 1 1 A 71 71 SER C C 71 174.294 174.932 -0.638 1
1 772 . 11 1 1 A 71 71 SER CA C 71 58.017 59.820 -1.803 1
1 773 . 11 1 1 A 71 71 SER CB C 71 63.430 64.149 -0.719 1
1 774 . 11 1 1 A 71 71 SER N N 71 114.807 113.080 1.727 1
1 775 . 11 1 1 A 72 72 GLY H H 72 7.981 7.427 0.554 1
1 776 . 11 1 1 A 72 72 GLY HA2 H 72 3.702 3.760 -0.058 1
1 777 . 11 1 1 A 72 72 GLY HA3 H 72 3.610 3.852 -0.242 1
1 778 . 11 1 1 A 72 72 GLY C C 72 172.912 174.447 -1.535 1
1 779 . 11 1 1 A 72 72 GLY CA C 72 44.675 45.467 -0.792 1
1 780 . 11 1 1 A 72 72 GLY N N 72 108.675 107.695 0.980 1
1 781 . 11 1 1 A 73 73 HIS H H 73 8.462 8.032 0.430 1
1 782 . 11 1 1 A 73 73 HIS HA H 73 4.859 4.704 0.155 1
1 787 . 11 1 1 A 73 73 HIS C C 73 174.804 174.298 0.506 1
1 788 . 11 1 1 A 73 73 HIS CA C 73 54.700 55.731 -1.031 1
1 789 . 11 1 1 A 73 73 HIS CB C 73 28.762 29.656 -0.894 1
1 792 . 11 1 1 A 73 73 HIS N N 73 122.843 118.646 4.197 1
1 793 . 11 1 1 A 74 74 VAL H H 74 7.682 8.752 -1.070 1
1 794 . 11 1 1 A 74 74 VAL HA H 74 5.402 4.924 0.478 1
1 802 . 11 1 1 A 74 74 VAL C C 74 176.121 173.520 2.601 1
1 803 . 11 1 1 A 74 74 VAL CA C 74 61.246 60.277 0.969 1
1 804 . 11 1 1 A 74 74 VAL CB C 74 35.383 35.715 -0.332 1
1 807 . 11 1 1 A 74 74 VAL N N 74 120.824 121.684 -0.860 1
1 808 . 11 1 1 A 75 75 TRP H H 75 9.581 8.623 0.958 1
1 809 . 11 1 1 A 75 75 TRP HA H 75 5.342 5.869 -0.527 1
1 818 . 11 1 1 A 75 75 TRP C C 75 171.123 173.211 -2.088 1
1 819 . 11 1 1 A 75 75 TRP CA C 75 57.046 54.639 2.407 1
1 820 . 11 1 1 A 75 75 TRP CB C 75 32.834 33.096 -0.262 1
1 826 . 11 1 1 A 75 75 TRP N N 75 124.656 124.169 0.487 1
1 828 . 11 1 1 A 76 76 LYS H H 76 9.557 9.201 0.356 1
1 829 . 11 1 1 A 76 76 LYS HA H 76 5.192 4.476 0.716 1
1 838 . 11 1 1 A 76 76 LYS C C 76 174.801 174.795 0.006 1
1 839 . 11 1 1 A 76 76 LYS CA C 76 54.876 55.046 -0.170 1
1 840 . 11 1 1 A 76 76 LYS CB C 76 36.740 33.528 3.212 1
1 844 . 11 1 1 A 76 76 LYS N N 76 121.724 122.279 -0.555 1
1 845 . 11 1 1 A 77 77 LEU H H 77 8.957 8.861 0.096 1
1 846 . 11 1 1 A 77 77 LEU HA H 77 5.272 5.325 -0.053 1
1 856 . 11 1 1 A 77 77 LEU C C 77 174.927 175.027 -0.100 1
1 857 . 11 1 1 A 77 77 LEU CA C 77 54.046 54.225 -0.179 1
1 858 . 11 1 1 A 77 77 LEU CB C 77 46.281 45.084 1.197 1
1 862 . 11 1 1 A 77 77 LEU N N 77 124.578 125.342 -0.764 1
1 863 . 11 1 1 A 78 78 GLN H H 78 8.629 8.668 -0.039 1
1 864 . 11 1 1 A 78 78 GLN HA H 78 5.308 5.229 0.079 1
1 871 . 11 1 1 A 78 78 GLN C C 78 174.564 174.868 -0.304 1
1 872 . 11 1 1 A 78 78 GLN CA C 78 54.452 54.396 0.056 1
1 873 . 11 1 1 A 78 78 GLN CB C 78 32.833 31.364 1.469 1
1 875 . 11 1 1 A 78 78 GLN N N 78 121.344 125.838 -4.494 1
1 877 . 11 1 1 A 79 79 TRP H H 79 8.601 8.562 0.039 1
1 878 . 11 1 1 A 79 79 TRP HA H 79 5.003 4.984 0.019 1
1 887 . 11 1 1 A 79 79 TRP C C 79 173.001 174.109 -1.108 1
1 888 . 11 1 1 A 79 79 TRP CA C 79 56.323 56.672 -0.349 1
1 889 . 11 1 1 A 79 79 TRP CB C 79 32.258 31.541 0.717 1
1 895 . 11 1 1 A 79 79 TRP N N 79 128.274 123.718 4.556 1
1 897 . 11 1 1 A 80 80 ALA H H 80 9.181 9.342 -0.161 1
1 898 . 11 1 1 A 80 80 ALA HA H 80 3.933 3.924 0.009 1
1 902 . 11 1 1 A 80 80 ALA C C 80 177.360 176.306 1.054 1
1 903 . 11 1 1 A 80 80 ALA CA C 80 54.222 53.231 0.991 1
1 904 . 11 1 1 A 80 80 ALA CB C 80 17.329 17.178 0.151 1
1 905 . 11 1 1 A 80 80 ALA N N 80 126.348 121.576 4.772 1
1 906 . 11 1 1 A 81 81 LYS H H 81 8.163 8.394 -0.231 1
1 907 . 11 1 1 A 81 81 LYS HA H 81 4.290 3.730 0.560 1
1 916 . 11 1 1 A 81 81 LYS C C 81 176.068 174.769 1.299 1
1 917 . 11 1 1 A 81 81 LYS CA C 81 56.305 57.328 -1.023 1
1 918 . 11 1 1 A 81 81 LYS CB C 81 31.312 29.232 2.080 1
1 922 . 11 1 1 A 81 81 LYS N N 81 120.289 107.439 12.850 1
1 923 . 11 1 1 A 82 82 GLN H H 82 8.423 7.520 0.903 1
1 924 . 11 1 1 A 82 82 GLN HA H 82 4.255 4.741 -0.486 1
1 931 . 11 1 1 A 82 82 GLN C C 82 174.996 174.055 0.941 1
1 932 . 11 1 1 A 82 82 GLN CA C 82 54.805 53.841 0.964 1
1 933 . 11 1 1 A 82 82 GLN CB C 82 30.942 32.186 -1.244 1
1 935 . 11 1 1 A 82 82 GLN N N 82 119.918 116.280 3.638 1
1 937 . 11 1 1 A 83 83 SER H H 83 7.683 8.045 -0.362 1
1 938 . 11 1 1 A 83 83 SER HA H 83 4.991 5.325 -0.334 1
1 941 . 11 1 1 A 83 83 SER C C 83 171.947 172.409 -0.462 1
1 942 . 11 1 1 A 83 83 SER CA C 83 57.629 57.559 0.070 1
1 943 . 11 1 1 A 83 83 SER CB C 83 64.664 65.748 -1.084 1
1 944 . 11 1 1 A 83 83 SER N N 83 115.649 112.125 3.524 1
1 945 . 11 1 1 A 84 84 TRP H H 84 8.665 8.853 -0.188 1
1 946 . 11 1 1 A 84 84 TRP HA H 84 4.714 5.133 -0.419 1
1 955 . 11 1 1 A 84 84 TRP C C 84 174.105 174.744 -0.639 1
1 956 . 11 1 1 A 84 84 TRP CA C 84 56.834 56.138 0.696 1
1 957 . 11 1 1 A 84 84 TRP CB C 84 33.368 33.766 -0.398 1
1 963 . 11 1 1 A 84 84 TRP N N 84 122.334 124.305 -1.971 1
1 965 . 11 1 1 A 85 85 TYR H H 85 9.220 8.866 0.354 1
1 966 . 11 1 1 A 85 85 TYR HA H 85 5.209 5.265 -0.056 1
1 973 . 11 1 1 A 85 85 TYR C C 85 175.136 174.946 0.190 1
1 974 . 11 1 1 A 85 85 TYR CA C 85 56.993 56.150 0.843 1
1 975 . 11 1 1 A 85 85 TYR CB C 85 41.058 41.569 -0.511 1
1 980 . 11 1 1 A 85 85 TYR N N 85 117.934 119.708 -1.774 1
1 981 . 11 1 1 A 86 86 LEU H H 86 8.662 9.014 -0.352 1
1 982 . 11 1 1 A 86 86 LEU HA H 86 5.172 4.675 0.497 1
1 992 . 11 1 1 A 86 86 LEU C C 86 174.454 174.361 0.093 1
1 993 . 11 1 1 A 86 86 LEU CA C 86 53.587 53.289 0.298 1
1 994 . 11 1 1 A 86 86 LEU CB C 86 43.773 42.776 0.997 1
1 998 . 11 1 1 A 86 86 LEU N N 86 121.945 123.698 -1.753 1
1 999 . 11 1 1 A 87 87 SER H H 87 8.642 8.419 0.223 1
1 1000 . 11 1 1 A 87 87 SER HA H 87 4.995 5.210 -0.215 1
1 1003 . 11 1 1 A 87 87 SER C C 87 173.683 173.371 0.312 1
1 1004 . 11 1 1 A 87 87 SER CA C 87 55.052 57.018 -1.966 1
1 1005 . 11 1 1 A 87 87 SER CB C 87 65.487 64.088 1.399 1
1 1006 . 11 1 1 A 87 87 SER N N 87 111.719 120.750 -9.031 1
1 1007 . 11 1 1 A 88 88 ALA H H 88 8.472 8.852 -0.380 1
1 1008 . 11 1 1 A 88 88 ALA HA H 88 5.184 4.877 0.307 1
1 1012 . 11 1 1 A 88 88 ALA C C 88 178.012 178.742 -0.730 1
1 1013 . 11 1 1 A 88 88 ALA CA C 88 49.423 50.086 -0.663 1
1 1014 . 11 1 1 A 88 88 ALA CB C 88 22.919 21.930 0.989 1
1 1015 . 11 1 1 A 88 88 ALA N N 88 126.939 130.176 -3.237 1
1 1016 . 11 1 1 A 89 89 SER H H 89 8.182 8.606 -0.424 1
1 1017 . 11 1 1 A 89 89 SER HA H 89 4.274 4.207 0.067 1
1 1020 . 11 1 1 A 89 89 SER C C 89 174.039 173.949 0.090 1
1 1021 . 11 1 1 A 89 89 SER CA C 89 60.135 61.395 -1.260 1
1 1022 . 11 1 1 A 89 89 SER CB C 89 63.571 63.211 0.360 1
1 1023 . 11 1 1 A 89 89 SER N N 89 111.359 115.416 -4.057 1
1 1024 . 11 1 1 A 90 90 SER H H 90 7.392 7.717 -0.325 1
1 1025 . 11 1 1 A 90 90 SER HA H 90 4.383 3.950 0.433 1
1 1028 . 11 1 1 A 90 90 SER C C 90 173.114 173.538 -0.424 1
1 1029 . 11 1 1 A 90 90 SER CA C 90 56.023 57.117 -1.094 1
1 1030 . 11 1 1 A 90 90 SER CB C 90 67.108 66.234 0.874 1
1 1031 . 11 1 1 A 90 90 SER N N 90 113.112 114.762 -1.650 1
1 1032 . 11 1 1 A 91 91 ALA H H 91 8.532 8.371 0.161 1
1 1033 . 11 1 1 A 91 91 ALA HA H 91 3.763 3.990 -0.227 1
1 1037 . 11 1 1 A 91 91 ALA C C 91 179.816 179.849 -0.033 1
1 1038 . 11 1 1 A 91 91 ALA CA C 91 54.699 55.177 -0.478 1
1 1039 . 11 1 1 A 91 91 ALA CB C 91 18.111 18.028 0.083 1
1 1040 . 11 1 1 A 91 91 ALA N N 91 123.767 123.570 0.197 1
1 1041 . 11 1 1 A 92 92 GLU H H 92 8.766 8.278 0.488 1
1 1042 . 11 1 1 A 92 92 GLU HA H 92 3.942 4.094 -0.152 1
1 1047 . 11 1 1 A 92 92 GLU C C 92 179.568 178.298 1.270 1
1 1048 . 11 1 1 A 92 92 GLU CA C 92 60.206 58.949 1.257 1
1 1049 . 11 1 1 A 92 92 GLU CB C 92 28.721 29.069 -0.348 1
1 1051 . 11 1 1 A 92 92 GLU N N 92 118.712 116.206 2.506 1
1 1052 . 11 1 1 A 93 93 LEU H H 93 7.852 7.975 -0.123 1
1 1053 . 11 1 1 A 93 93 LEU HA H 93 4.274 4.141 0.133 1
1 1063 . 11 1 1 A 93 93 LEU C C 93 178.805 178.558 0.247 1
1 1064 . 11 1 1 A 93 93 LEU CA C 93 57.382 56.962 0.420 1
1 1065 . 11 1 1 A 93 93 LEU CB C 93 43.115 41.502 1.613 1
1 1069 . 11 1 1 A 93 93 LEU N N 93 121.212 121.843 -0.631 1
1 1070 . 11 1 1 A 94 94 GLN H H 94 8.080 8.339 -0.259 1
1 1071 . 11 1 1 A 94 94 GLN HA H 94 3.843 4.326 -0.483 1
1 1078 . 11 1 1 A 94 94 GLN C C 94 176.960 178.189 -1.229 1
1 1079 . 11 1 1 A 94 94 GLN CA C 94 59.694 59.129 0.565 1
1 1080 . 11 1 1 A 94 94 GLN CB C 94 28.063 28.727 -0.664 1
1 1082 . 11 1 1 A 94 94 GLN N N 94 120.439 119.083 1.356 1
1 1084 . 11 1 1 A 95 95 GLN H H 95 8.293 8.445 -0.152 1
1 1085 . 11 1 1 A 95 95 GLN HA H 95 3.779 4.037 -0.258 1
1 1092 . 11 1 1 A 95 95 GLN C C 95 177.938 177.649 0.289 1
1 1093 . 11 1 1 A 95 95 GLN CA C 95 59.005 58.833 0.172 1
1 1094 . 11 1 1 A 95 95 GLN CB C 95 27.610 28.341 -0.731 1
1 1096 . 11 1 1 A 95 95 GLN N N 95 117.408 117.073 0.335 1
1 1098 . 11 1 1 A 96 96 GLN H H 96 7.731 8.321 -0.590 1
1 1099 . 11 1 1 A 96 96 GLN HA H 96 3.966 3.991 -0.025 1
1 1106 . 11 1 1 A 96 96 GLN C C 96 179.685 177.561 2.124 1
1 1107 . 11 1 1 A 96 96 GLN CA C 96 58.987 58.070 0.917 1
1 1108 . 11 1 1 A 96 96 GLN CB C 96 28.433 28.071 0.362 1
1 1110 . 11 1 1 A 96 96 GLN N N 96 119.621 117.418 2.203 1
1 1112 . 11 1 1 A 97 97 TRP H H 97 8.410 7.290 1.120 1
1 1113 . 11 1 1 A 97 97 TRP HA H 97 3.792 4.461 -0.669 1
1 1122 . 11 1 1 A 97 97 TRP C C 97 178.515 178.795 -0.280 1
1 1123 . 11 1 1 A 97 97 TRP CA C 97 61.670 59.569 2.101 1
1 1124 . 11 1 1 A 97 97 TRP CB C 97 29.972 30.055 -0.083 1
1 1130 . 11 1 1 A 97 97 TRP N N 97 121.370 120.247 1.123 1
1 1132 . 11 1 1 A 98 98 LEU H H 98 8.505 8.135 0.370 1
1 1133 . 11 1 1 A 98 98 LEU HA H 98 3.485 3.444 0.041 1
1 1143 . 11 1 1 A 98 98 LEU C C 98 180.194 178.583 1.611 1
1 1144 . 11 1 1 A 98 98 LEU CA C 98 58.706 58.167 0.539 1
1 1145 . 11 1 1 A 98 98 LEU CB C 98 41.141 41.440 -0.299 1
1 1149 . 11 1 1 A 98 98 LEU N N 98 119.038 120.039 -1.001 1
1 1150 . 11 1 1 A 99 99 GLU H H 99 8.241 8.282 -0.041 1
1 1151 . 11 1 1 A 99 99 GLU HA H 99 3.927 3.978 -0.051 1
1 1156 . 11 1 1 A 99 99 GLU C C 99 179.082 179.012 0.070 1
1 1157 . 11 1 1 A 99 99 GLU CA C 99 59.587 59.309 0.278 1
1 1158 . 11 1 1 A 99 99 GLU CB C 99 29.296 29.537 -0.241 1
1 1160 . 11 1 1 A 99 99 GLU N N 99 119.886 116.507 3.379 1
1 1161 . 11 1 1 A 100 100 THR H H 100 7.780 8.029 -0.249 1
1 1162 . 11 1 1 A 100 100 THR HA H 100 3.862 3.863 -0.001 1
1 1167 . 11 1 1 A 100 100 THR C C 100 176.899 176.499 0.400 1
1 1168 . 11 1 1 A 100 100 THR CA C 100 67.088 66.616 0.472 1
1 1169 . 11 1 1 A 100 100 THR CB C 100 68.178 68.182 -0.004 1
1 1171 . 11 1 1 A 100 100 THR N N 100 116.913 115.098 1.815 1
1 1172 . 11 1 1 A 101 101 LEU H H 101 9.159 8.145 1.014 1
1 1173 . 11 1 1 A 101 101 LEU HA H 101 3.993 3.869 0.124 1
1 1183 . 11 1 1 A 101 101 LEU C C 101 178.416 178.933 -0.517 1
1 1184 . 11 1 1 A 101 101 LEU CA C 101 58.017 58.073 -0.056 1
1 1185 . 11 1 1 A 101 101 LEU CB C 101 42.004 41.933 0.071 1
1 1189 . 11 1 1 A 101 101 LEU N N 101 121.065 120.725 0.340 1
1 1190 . 11 1 1 A 102 102 SER H H 102 7.978 8.377 -0.399 1
1 1191 . 11 1 1 A 102 102 SER HA H 102 4.094 4.011 0.083 1
1 1194 . 11 1 1 A 102 102 SER C C 102 176.370 176.461 -0.091 1
1 1195 . 11 1 1 A 102 102 SER CA C 102 61.794 62.050 -0.256 1
1 1196 . 11 1 1 A 102 102 SER CB C 102 62.855 62.825 0.030 1
1 1197 . 11 1 1 A 102 102 SER N N 102 112.923 114.139 -1.216 1
1 1198 . 11 1 1 A 103 103 THR H H 103 7.683 8.388 -0.705 1
1 1199 . 11 1 1 A 103 103 THR HA H 103 4.020 3.907 0.113 1
1 1204 . 11 1 1 A 103 103 THR C C 103 176.061 176.773 -0.712 1
1 1205 . 11 1 1 A 103 103 THR CA C 103 65.412 66.588 -1.176 1
1 1206 . 11 1 1 A 103 103 THR CB C 103 68.918 68.315 0.603 1
1 1208 . 11 1 1 A 103 103 THR N N 103 116.420 115.385 1.035 1
1 1209 . 11 1 1 A 104 104 ALA H H 104 7.760 8.270 -0.510 1
1 1210 . 11 1 1 A 104 104 ALA HA H 104 4.272 3.925 0.347 1
1 1214 . 11 1 1 A 104 104 ALA C C 104 178.160 179.135 -0.975 1
1 1215 . 11 1 1 A 104 104 ALA CA C 104 54.011 55.443 -1.432 1
1 1216 . 11 1 1 A 104 104 ALA CB C 104 20.155 18.174 1.981 1
1 1217 . 11 1 1 A 104 104 ALA N N 104 123.981 123.072 0.909 1
1 1218 . 11 1 1 A 105 105 ALA H H 105 7.824 8.118 -0.294 1
1 1219 . 11 1 1 A 105 105 ALA HA H 105 4.092 4.022 0.070 1
1 1223 . 11 1 1 A 105 105 ALA C C 105 177.657 177.243 0.414 1
1 1224 . 11 1 1 A 105 105 ALA CA C 105 53.058 55.112 -2.054 1
1 1225 . 11 1 1 A 105 105 ALA CB C 105 19.067 18.924 0.143 1
1 1226 . 11 1 1 A 105 105 ALA N N 105 118.227 118.931 -0.704 1
1 1227 . 11 1 1 A 106 106 HIS H H 106 7.675 7.671 0.004 1
1 1228 . 11 1 1 A 106 106 HIS HA H 106 4.703 5.286 -0.583 1
1 1233 . 11 1 1 A 106 106 HIS C C 106 175.296 174.774 0.522 1
1 1234 . 11 1 1 A 106 106 HIS CA C 106 56.287 54.795 1.492 1
1 1235 . 11 1 1 A 106 106 HIS CB C 106 30.407 33.937 -3.530 1
1 1238 . 11 1 1 A 106 106 HIS N N 106 115.860 112.201 3.659 1
1 1239 . 11 1 1 A 107 107 SER H H 107 8.015 8.705 -0.690 1
1 1240 . 11 1 1 A 107 107 SER HA H 107 4.560 4.864 -0.304 1
1 1243 . 11 1 1 A 107 107 SER C C 107 174.345 175.680 -1.335 1
1 1244 . 11 1 1 A 107 107 SER CA C 107 58.546 56.420 2.126 1
1 1245 . 11 1 1 A 107 107 SER CB C 107 64.130 66.154 -2.024 1
1 1246 . 11 1 1 A 107 107 SER N N 107 116.310 115.706 0.604 1
1 1247 . 11 1 1 A 108 108 GLY H H 108 8.282 8.668 -0.386 1
1 1248 . 11 1 1 A 108 108 GLY HA2 H 108 4.213 3.819 0.394 1
1 1249 . 11 1 1 A 108 108 GLY HA3 H 108 4.042 3.820 0.222 1
1 1250 . 11 1 1 A 108 108 GLY C C 108 171.750 174.684 -2.934 1
1 1251 . 11 1 1 A 108 108 GLY CA C 108 44.640 47.878 -3.238 1
1 1252 . 11 1 1 A 108 108 GLY N N 108 110.511 108.958 1.553 1
1 1253 . 11 1 1 A 109 109 PRO HA H 109 4.497 4.638 -0.141 1
1 1260 . 11 1 1 A 109 109 PRO C C 109 177.419 175.416 2.003 1
1 1261 . 11 1 1 A 109 109 PRO CA C 109 63.241 62.773 0.468 1
1 1262 . 11 1 1 A 109 109 PRO CB C 109 32.264 32.886 -0.622 1
1 1265 . 11 1 1 A 110 110 SER H H 110 8.558 8.425 0.133 1
1 1266 . 11 1 1 A 110 110 SER C C 110 174.715 173.581 1.134 1
1 1267 . 11 1 1 A 110 110 SER CA C 110 58.335 57.551 0.784 1
1 1268 . 11 1 1 A 110 110 SER CB C 110 63.759 66.752 -2.993 1
1 1269 . 11 1 1 A 110 110 SER N N 110 116.470 117.660 -1.190 1
1 1270 . 11 1 1 A 111 111 SER H H 111 8.357 8.606 -0.249 1
1 1271 . 11 1 1 A 111 111 SER C C 111 173.931 174.913 -0.982 1
1 1272 . 11 1 1 A 111 111 SER CA C 111 58.335 59.580 -1.245 1
1 1 . 12 1 1 A 8 8 SER HA H 8 5.012 4.969 0.043 1
1 4 . 12 1 1 A 8 8 SER CA C 8 58.166 57.442 0.724 1
1 5 . 12 1 1 A 8 8 SER CB C 8 64.582 66.545 -1.963 1
1 6 . 12 1 1 A 9 9 LEU H H 9 9.253 8.040 1.213 1
1 7 . 12 1 1 A 9 9 LEU HA H 9 4.091 3.931 0.160 1
1 17 . 12 1 1 A 9 9 LEU C C 9 176.799 176.634 0.165 1
1 18 . 12 1 1 A 9 9 LEU CA C 9 57.523 58.025 -0.502 1
1 19 . 12 1 1 A 9 9 LEU CB C 9 42.703 42.005 0.698 1
1 23 . 12 1 1 A 9 9 LEU N N 9 127.432 126.579 0.853 1
1 24 . 12 1 1 A 10 10 LEU H H 10 6.827 7.672 -0.845 1
1 25 . 12 1 1 A 10 10 LEU HA H 10 4.201 4.503 -0.302 1
1 35 . 12 1 1 A 10 10 LEU C C 10 173.779 174.292 -0.513 1
1 36 . 12 1 1 A 10 10 LEU CA C 10 54.399 54.266 0.133 1
1 37 . 12 1 1 A 10 10 LEU CB C 10 45.006 45.384 -0.378 1
1 41 . 12 1 1 A 10 10 LEU N N 10 116.105 116.978 -0.873 1
1 42 . 12 1 1 A 11 11 CYS H H 11 7.989 8.947 -0.958 1
1 43 . 12 1 1 A 11 11 CYS HA H 11 5.743 5.234 0.509 1
1 46 . 12 1 1 A 11 11 CYS C C 11 172.654 173.279 -0.625 1
1 47 . 12 1 1 A 11 11 CYS CA C 11 55.546 57.221 -1.675 1
1 48 . 12 1 1 A 11 11 CYS CB C 11 31.333 31.332 0.001 1
1 49 . 12 1 1 A 11 11 CYS N N 11 117.939 123.199 -5.260 1
1 50 . 12 1 1 A 12 12 GLY H H 12 8.479 7.421 1.058 1
1 51 . 12 1 1 A 12 12 GLY HA2 H 12 4.419 3.777 0.642 1
1 52 . 12 1 1 A 12 12 GLY HA3 H 12 2.832 4.125 -1.293 1
1 53 . 12 1 1 A 12 12 GLY C C 12 168.720 171.657 -2.937 1
1 54 . 12 1 1 A 12 12 GLY CA C 12 44.710 44.741 -0.031 1
1 55 . 12 1 1 A 12 12 GLY N N 12 109.046 106.673 2.373 1
1 56 . 12 1 1 A 13 13 PRO HA H 13 5.163 4.539 0.624 1
1 63 . 12 1 1 A 13 13 PRO C C 13 177.501 175.178 2.323 1
1 64 . 12 1 1 A 13 13 PRO CA C 13 62.182 63.217 -1.035 1
1 65 . 12 1 1 A 13 13 PRO CB C 13 32.587 32.179 0.408 1
1 68 . 12 1 1 A 14 14 LEU H H 14 8.630 8.558 0.072 1
1 69 . 12 1 1 A 14 14 LEU HA H 14 4.764 4.990 -0.226 1
1 79 . 12 1 1 A 14 14 LEU C C 14 175.698 174.039 1.659 1
1 80 . 12 1 1 A 14 14 LEU CA C 14 53.975 53.021 0.954 1
1 81 . 12 1 1 A 14 14 LEU CB C 14 48.936 45.432 3.504 1
1 85 . 12 1 1 A 14 14 LEU N N 14 122.246 123.816 -1.570 1
1 86 . 12 1 1 A 15 15 ARG H H 15 8.498 7.919 0.579 1
1 87 . 12 1 1 A 15 15 ARG HA H 15 5.421 5.275 0.146 1
1 95 . 12 1 1 A 15 15 ARG C C 15 174.664 174.824 -0.160 1
1 96 . 12 1 1 A 15 15 ARG CA C 15 54.858 54.375 0.483 1
1 97 . 12 1 1 A 15 15 ARG CB C 15 34.085 33.802 0.283 1
1 100 . 12 1 1 A 15 15 ARG N N 15 118.593 123.063 -4.470 1
1 102 . 12 1 1 A 16 16 LEU H H 16 9.244 8.992 0.252 1
1 103 . 12 1 1 A 16 16 LEU HA H 16 5.662 5.680 -0.018 1
1 113 . 12 1 1 A 16 16 LEU C C 16 176.872 174.630 2.242 1
1 114 . 12 1 1 A 16 16 LEU CA C 16 53.746 53.641 0.105 1
1 115 . 12 1 1 A 16 16 LEU CB C 16 47.803 46.761 1.042 1
1 119 . 12 1 1 A 16 16 LEU N N 16 123.893 124.878 -0.985 1
1 120 . 12 1 1 A 17 17 SER H H 17 8.982 8.418 0.564 1
1 121 . 12 1 1 A 17 17 SER HA H 17 4.484 5.198 -0.714 1
1 124 . 12 1 1 A 17 17 SER C C 17 173.790 173.134 0.656 1
1 125 . 12 1 1 A 17 17 SER CA C 17 57.081 56.230 0.851 1
1 126 . 12 1 1 A 17 17 SER CB C 17 64.487 64.491 -0.004 1
1 127 . 12 1 1 A 17 17 SER N N 17 117.455 119.310 -1.855 1
1 128 . 12 1 1 A 18 18 GLU H H 18 9.102 8.619 0.483 1
1 129 . 12 1 1 A 18 18 GLU HA H 18 3.832 4.242 -0.410 1
1 134 . 12 1 1 A 18 18 GLU C C 18 176.185 176.927 -0.742 1
1 135 . 12 1 1 A 18 18 GLU CA C 18 58.793 56.031 2.762 1
1 136 . 12 1 1 A 18 18 GLU CB C 18 30.037 29.930 0.107 1
1 138 . 12 1 1 A 18 18 GLU N N 18 129.354 123.872 5.482 1
1 139 . 12 1 1 A 19 19 SER H H 19 7.792 9.154 -1.362 1
1 140 . 12 1 1 A 19 19 SER HA H 19 4.650 4.229 0.421 1
1 143 . 12 1 1 A 19 19 SER C C 19 175.321 173.596 1.725 1
1 144 . 12 1 1 A 19 19 SER CA C 19 57.699 59.223 -1.524 1
1 145 . 12 1 1 A 19 19 SER CB C 19 65.816 62.011 3.805 1
1 146 . 12 1 1 A 19 19 SER N N 19 108.812 120.132 -11.320 1
1 147 . 12 1 1 A 20 20 GLY H H 20 8.376 8.156 0.220 1
1 148 . 12 1 1 A 20 20 GLY HA2 H 20 3.931 3.264 0.667 1
1 149 . 12 1 1 A 20 20 GLY HA3 H 20 2.690 3.542 -0.852 1
1 150 . 12 1 1 A 20 20 GLY C C 20 172.644 174.178 -1.534 1
1 151 . 12 1 1 A 20 20 GLY CA C 20 44.746 46.297 -1.551 1
1 152 . 12 1 1 A 20 20 GLY N N 20 111.458 106.185 5.273 1
1 153 . 12 1 1 A 21 21 GLU H H 21 7.522 7.330 0.192 1
1 154 . 12 1 1 A 21 21 GLU HA H 21 4.274 4.594 -0.320 1
1 159 . 12 1 1 A 21 21 GLU C C 21 176.266 175.399 0.867 1
1 160 . 12 1 1 A 21 21 GLU CA C 21 58.069 57.688 0.381 1
1 161 . 12 1 1 A 21 21 GLU CB C 21 31.024 32.374 -1.350 1
1 163 . 12 1 1 A 21 21 GLU N N 21 119.071 119.096 -0.025 1
1 164 . 12 1 1 A 22 22 THR H H 22 7.436 7.674 -0.238 1
1 165 . 12 1 1 A 22 22 THR HA H 22 4.618 4.750 -0.132 1
1 170 . 12 1 1 A 22 22 THR C C 22 173.662 172.418 1.244 1
1 171 . 12 1 1 A 22 22 THR CA C 22 60.682 59.819 0.863 1
1 172 . 12 1 1 A 22 22 THR CB C 22 70.504 71.294 -0.790 1
1 174 . 12 1 1 A 22 22 THR N N 22 111.176 111.942 -0.766 1
1 175 . 12 1 1 A 23 23 TRP H H 23 9.121 8.914 0.207 1
1 176 . 12 1 1 A 23 23 TRP HA H 23 4.983 5.580 -0.597 1
1 185 . 12 1 1 A 23 23 TRP C C 23 175.888 175.997 -0.109 1
1 186 . 12 1 1 A 23 23 TRP CA C 23 56.570 56.619 -0.049 1
1 187 . 12 1 1 A 23 23 TRP CB C 23 32.176 31.381 0.795 1
1 193 . 12 1 1 A 23 23 TRP N N 23 127.096 129.977 -2.881 1
1 195 . 12 1 1 A 24 24 SER H H 24 9.273 8.834 0.439 1
1 196 . 12 1 1 A 24 24 SER HA H 24 4.948 4.923 0.025 1
1 199 . 12 1 1 A 24 24 SER C C 24 173.268 173.250 0.018 1
1 200 . 12 1 1 A 24 24 SER CA C 24 57.346 57.621 -0.275 1
1 201 . 12 1 1 A 24 24 SER CB C 24 65.445 66.776 -1.331 1
1 202 . 12 1 1 A 24 24 SER N N 24 118.031 116.111 1.920 1
1 203 . 12 1 1 A 25 25 GLU H H 25 8.990 8.531 0.459 1
1 204 . 12 1 1 A 25 25 GLU HA H 25 4.737 4.523 0.214 1
1 209 . 12 1 1 A 25 25 GLU C C 25 176.246 176.166 0.080 1
1 210 . 12 1 1 A 25 25 GLU CA C 25 57.170 56.363 0.807 1
1 211 . 12 1 1 A 25 25 GLU CB C 25 30.202 30.122 0.080 1
1 213 . 12 1 1 A 25 25 GLU N N 25 125.088 123.560 1.528 1
1 214 . 12 1 1 A 26 26 VAL H H 26 9.012 8.834 0.178 1
1 215 . 12 1 1 A 26 26 VAL HA H 26 5.002 4.942 0.060 1
1 223 . 12 1 1 A 26 26 VAL C C 26 174.304 173.503 0.801 1
1 224 . 12 1 1 A 26 26 VAL CA C 26 58.917 59.463 -0.546 1
1 225 . 12 1 1 A 26 26 VAL CB C 26 35.753 36.141 -0.388 1
1 228 . 12 1 1 A 26 26 VAL N N 26 118.076 119.183 -1.107 1
1 229 . 12 1 1 A 27 27 TRP H H 27 8.880 8.794 0.086 1
1 230 . 12 1 1 A 27 27 TRP HA H 27 4.814 5.517 -0.703 1
1 239 . 12 1 1 A 27 27 TRP C C 27 174.255 174.266 -0.011 1
1 240 . 12 1 1 A 27 27 TRP CA C 27 57.117 54.967 2.150 1
1 241 . 12 1 1 A 27 27 TRP CB C 27 30.325 32.541 -2.216 1
1 247 . 12 1 1 A 27 27 TRP N N 27 122.873 125.237 -2.364 1
1 249 . 12 1 1 A 28 28 ALA H H 28 8.482 8.175 0.307 1
1 250 . 12 1 1 A 28 28 ALA HA H 28 5.329 5.345 -0.016 1
1 254 . 12 1 1 A 28 28 ALA C C 28 175.519 175.860 -0.341 1
1 255 . 12 1 1 A 28 28 ALA CA C 28 49.670 50.185 -0.515 1
1 256 . 12 1 1 A 28 28 ALA CB C 28 23.827 22.137 1.690 1
1 257 . 12 1 1 A 28 28 ALA N N 28 133.586 130.068 3.518 1
1 258 . 12 1 1 A 29 29 ALA H H 29 8.948 8.927 0.021 1
1 259 . 12 1 1 A 29 29 ALA HA H 29 5.160 5.124 0.036 1
1 263 . 12 1 1 A 29 29 ALA C C 29 175.956 175.990 -0.034 1
1 264 . 12 1 1 A 29 29 ALA CA C 29 52.210 51.861 0.349 1
1 265 . 12 1 1 A 29 29 ALA CB C 29 23.697 23.068 0.629 1
1 266 . 12 1 1 A 29 29 ALA N N 29 119.901 122.862 -2.961 1
1 267 . 12 1 1 A 30 30 ILE H H 30 8.245 8.597 -0.352 1
1 268 . 12 1 1 A 30 30 ILE HA H 30 5.313 4.658 0.655 1
1 278 . 12 1 1 A 30 30 ILE C C 30 174.004 174.619 -0.615 1
1 279 . 12 1 1 A 30 30 ILE CA C 30 57.699 57.664 0.035 1
1 280 . 12 1 1 A 30 30 ILE CB C 30 40.565 38.752 1.813 1
1 284 . 12 1 1 A 30 30 ILE N N 30 122.332 121.407 0.925 1
1 285 . 12 1 1 A 31 31 PRO HA H 31 4.655 4.669 -0.014 1
1 292 . 12 1 1 A 31 31 PRO C C 31 177.566 178.071 -0.505 1
1 293 . 12 1 1 A 31 31 PRO CA C 31 62.464 62.386 0.078 1
1 294 . 12 1 1 A 31 31 PRO CB C 31 31.929 31.412 0.517 1
1 297 . 12 1 1 A 32 32 MET H H 32 8.572 8.606 -0.034 1
1 298 . 12 1 1 A 32 32 MET HA H 32 3.997 4.081 -0.084 1
1 306 . 12 1 1 A 32 32 MET C C 32 177.770 178.166 -0.396 1
1 307 . 12 1 1 A 32 32 MET CA C 32 58.158 58.677 -0.519 1
1 308 . 12 1 1 A 32 32 MET CB C 32 31.929 32.338 -0.409 1
1 311 . 12 1 1 A 32 32 MET N N 32 121.580 124.201 -2.621 1
1 312 . 12 1 1 A 33 33 SER H H 33 8.163 8.288 -0.125 1
1 313 . 12 1 1 A 33 33 SER HA H 33 4.213 4.204 0.009 1
1 316 . 12 1 1 A 33 33 SER C C 33 174.424 174.405 0.019 1
1 317 . 12 1 1 A 33 33 SER CA C 33 58.864 61.645 -2.781 1
1 318 . 12 1 1 A 33 33 SER CB C 33 63.225 62.706 0.519 1
1 319 . 12 1 1 A 33 33 SER N N 33 109.218 114.475 -5.257 1
1 320 . 12 1 1 A 34 34 ASP H H 34 7.179 8.203 -1.024 1
1 321 . 12 1 1 A 34 34 ASP HA H 34 4.912 5.069 -0.157 1
1 324 . 12 1 1 A 34 34 ASP C C 34 171.847 174.196 -2.349 1
1 325 . 12 1 1 A 34 34 ASP CA C 34 52.581 51.192 1.389 1
1 326 . 12 1 1 A 34 34 ASP CB C 34 41.223 41.548 -0.325 1
1 327 . 12 1 1 A 34 34 ASP N N 34 120.601 120.334 0.267 1
1 328 . 12 1 1 A 35 35 PRO HA H 35 4.510 4.555 -0.045 1
1 335 . 12 1 1 A 35 35 PRO C C 35 175.635 176.217 -0.582 1
1 336 . 12 1 1 A 35 35 PRO CA C 35 64.511 63.953 0.558 1
1 337 . 12 1 1 A 35 35 PRO CB C 35 31.729 31.993 -0.264 1
1 340 . 12 1 1 A 36 36 GLN H H 36 7.982 8.394 -0.412 1
1 341 . 12 1 1 A 36 36 GLN HA H 36 4.472 4.444 0.028 1
1 348 . 12 1 1 A 36 36 GLN C C 36 174.646 174.886 -0.240 1
1 349 . 12 1 1 A 36 36 GLN CA C 36 55.193 55.912 -0.719 1
1 350 . 12 1 1 A 36 36 GLN CB C 36 29.420 29.621 -0.201 1
1 352 . 12 1 1 A 36 36 GLN N N 36 114.393 117.372 -2.979 1
1 354 . 12 1 1 A 37 37 VAL H H 37 7.878 7.640 0.238 1
1 355 . 12 1 1 A 37 37 VAL HA H 37 4.546 4.505 0.041 1
1 363 . 12 1 1 A 37 37 VAL C C 37 172.485 172.726 -0.241 1
1 364 . 12 1 1 A 37 37 VAL CA C 37 60.987 60.273 0.714 1
1 365 . 12 1 1 A 37 37 VAL CB C 37 35.218 34.622 0.596 1
1 368 . 12 1 1 A 37 37 VAL N N 37 120.432 119.443 0.989 1
1 369 . 12 1 1 A 38 38 LEU H H 38 7.992 8.891 -0.899 1
1 370 . 12 1 1 A 38 38 LEU HA H 38 4.770 5.250 -0.480 1
1 380 . 12 1 1 A 38 38 LEU C C 38 175.193 175.091 0.102 1
1 381 . 12 1 1 A 38 38 LEU CA C 38 53.146 53.187 -0.041 1
1 382 . 12 1 1 A 38 38 LEU CB C 38 45.359 44.618 0.741 1
1 386 . 12 1 1 A 38 38 LEU N N 38 123.585 129.327 -5.742 1
1 387 . 12 1 1 A 39 39 HIS H H 39 9.442 8.857 0.585 1
1 388 . 12 1 1 A 39 39 HIS HA H 39 5.212 5.171 0.041 1
1 393 . 12 1 1 A 39 39 HIS C C 39 175.351 175.583 -0.232 1
1 394 . 12 1 1 A 39 39 HIS CA C 39 55.211 56.222 -1.011 1
1 395 . 12 1 1 A 39 39 HIS CB C 39 32.669 30.960 1.709 1
1 398 . 12 1 1 A 39 39 HIS N N 39 126.949 126.263 0.686 1
1 399 . 12 1 1 A 40 40 LEU H H 40 8.424 8.601 -0.177 1
1 400 . 12 1 1 A 40 40 LEU HA H 40 5.082 5.141 -0.059 1
1 410 . 12 1 1 A 40 40 LEU C C 40 176.050 175.543 0.507 1
1 411 . 12 1 1 A 40 40 LEU CA C 40 53.552 53.408 0.144 1
1 412 . 12 1 1 A 40 40 LEU CB C 40 44.019 45.156 -1.137 1
1 416 . 12 1 1 A 40 40 LEU N N 40 122.395 123.336 -0.941 1
1 417 . 12 1 1 A 41 41 GLN H H 41 8.972 9.538 -0.566 1
1 418 . 12 1 1 A 41 41 GLN HA H 41 4.723 5.381 -0.658 1
1 425 . 12 1 1 A 41 41 GLN C C 41 175.453 175.105 0.348 1
1 426 . 12 1 1 A 41 41 GLN CA C 41 54.840 54.260 0.580 1
1 427 . 12 1 1 A 41 41 GLN CB C 41 31.946 32.198 -0.252 1
1 429 . 12 1 1 A 41 41 GLN N N 41 121.779 122.248 -0.469 1
1 431 . 12 1 1 A 42 42 GLY H H 42 8.739 8.552 0.187 1
1 432 . 12 1 1 A 42 42 GLY HA2 H 42 4.252 4.326 -0.074 1
1 433 . 12 1 1 A 42 42 GLY HA3 H 42 4.200 4.350 -0.150 1
1 434 . 12 1 1 A 42 42 GLY C C 42 173.938 172.640 1.298 1
1 435 . 12 1 1 A 42 42 GLY CA C 42 44.746 45.745 -0.999 1
1 436 . 12 1 1 A 42 42 GLY N N 42 112.892 112.758 0.134 1
1 437 . 12 1 1 A 43 43 GLY H H 43 8.709 8.407 0.302 1
1 438 . 12 1 1 A 43 43 GLY HA2 H 43 4.110 4.236 -0.126 1
1 439 . 12 1 1 A 43 43 GLY HA3 H 43 3.962 4.238 -0.276 1
1 440 . 12 1 1 A 43 43 GLY C C 43 174.713 173.643 1.070 1
1 441 . 12 1 1 A 43 43 GLY CA C 43 45.346 45.908 -0.562 1
1 442 . 12 1 1 A 43 43 GLY N N 43 108.768 108.789 -0.021 1
1 443 . 12 1 1 A 44 44 SER H H 44 8.369 8.218 0.151 1
1 444 . 12 1 1 A 44 44 SER C C 44 175.312 175.462 -0.150 1
1 445 . 12 1 1 A 44 44 SER CA C 44 58.723 57.772 0.951 1
1 446 . 12 1 1 A 44 44 SER CB C 44 63.924 64.740 -0.816 1
1 447 . 12 1 1 A 44 44 SER N N 44 115.582 115.604 -0.022 1
1 448 . 12 1 1 A 45 45 GLN HA H 45 4.346 4.016 0.330 1
1 455 . 12 1 1 A 45 45 GLN C C 45 175.931 176.089 -0.158 1
1 456 . 12 1 1 A 45 45 GLN CA C 45 56.358 59.572 -3.214 1
1 457 . 12 1 1 A 45 45 GLN CB C 45 28.392 28.781 -0.389 1
1 460 . 12 1 1 A 46 46 ASP H H 46 8.053 7.771 0.282 1
1 461 . 12 1 1 A 46 46 ASP HA H 46 4.615 4.659 -0.044 1
1 464 . 12 1 1 A 46 46 ASP C C 46 176.998 176.780 0.218 1
1 465 . 12 1 1 A 46 46 ASP CA C 46 54.188 53.810 0.378 1
1 466 . 12 1 1 A 46 46 ASP CB C 46 41.099 42.330 -1.231 1
1 467 . 12 1 1 A 46 46 ASP N N 46 119.460 119.505 -0.045 1
1 468 . 12 1 1 A 47 47 GLY H H 47 8.311 8.560 -0.249 1
1 469 . 12 1 1 A 47 47 GLY HA2 H 47 3.970 4.210 -0.240 1
1 470 . 12 1 1 A 47 47 GLY HA3 H 47 3.970 4.211 -0.241 1
1 471 . 12 1 1 A 47 47 GLY C C 47 174.725 175.140 -0.415 1
1 472 . 12 1 1 A 47 47 GLY CA C 47 45.892 45.711 0.181 1
1 473 . 12 1 1 A 47 47 GLY N N 47 109.753 110.087 -0.334 1
1 474 . 12 1 1 A 48 48 ARG H H 48 8.300 7.738 0.562 1
1 475 . 12 1 1 A 48 48 ARG HA H 48 4.308 4.359 -0.051 1
1 482 . 12 1 1 A 48 48 ARG C C 48 176.347 177.187 -0.840 1
1 483 . 12 1 1 A 48 48 ARG CA C 48 56.782 58.298 -1.516 1
1 484 . 12 1 1 A 48 48 ARG CB C 48 30.654 30.817 -0.163 1
1 487 . 12 1 1 A 48 48 ARG N N 48 119.526 118.877 0.649 1
1 488 . 12 1 1 A 49 49 LEU H H 49 7.682 7.538 0.144 1
1 489 . 12 1 1 A 49 49 LEU HA H 49 4.252 4.136 0.116 1
1 499 . 12 1 1 A 49 49 LEU C C 49 174.707 174.920 -0.213 1
1 500 . 12 1 1 A 49 49 LEU CA C 49 53.040 53.948 -0.908 1
1 501 . 12 1 1 A 49 49 LEU CB C 49 41.759 41.910 -0.151 1
1 505 . 12 1 1 A 49 49 LEU N N 49 121.049 122.520 -1.471 1
1 506 . 12 1 1 A 50 50 PRO HA H 50 4.392 4.719 -0.327 1
1 513 . 12 1 1 A 50 50 PRO C C 50 175.058 176.364 -1.306 1
1 514 . 12 1 1 A 50 50 PRO CA C 50 62.323 62.575 -0.252 1
1 515 . 12 1 1 A 50 50 PRO CB C 50 31.353 32.034 -0.681 1
1 518 . 12 1 1 A 51 51 ARG H H 51 8.295 9.043 -0.748 1
1 519 . 12 1 1 A 51 51 ARG HA H 51 4.511 4.312 0.199 1
1 526 . 12 1 1 A 51 51 ARG C C 51 177.443 175.948 1.495 1
1 527 . 12 1 1 A 51 51 ARG CA C 51 56.728 58.241 -1.513 1
1 528 . 12 1 1 A 51 51 ARG CB C 51 31.194 31.349 -0.155 1
1 531 . 12 1 1 A 51 51 ARG N N 51 119.201 120.052 -0.851 1
1 532 . 12 1 1 A 52 52 THR H H 52 7.372 7.807 -0.435 1
1 533 . 12 1 1 A 52 52 THR HA H 52 4.963 4.730 0.233 1
1 538 . 12 1 1 A 52 52 THR C C 52 173.287 173.454 -0.167 1
1 539 . 12 1 1 A 52 52 THR CA C 52 59.411 60.662 -1.251 1
1 540 . 12 1 1 A 52 52 THR CB C 52 71.632 70.673 0.959 1
1 542 . 12 1 1 A 52 52 THR N N 52 109.591 110.612 -1.021 1
1 543 . 12 1 1 A 53 53 ILE H H 53 8.742 8.491 0.251 1
1 544 . 12 1 1 A 53 53 ILE HA H 53 3.845 4.420 -0.575 1
1 554 . 12 1 1 A 53 53 ILE C C 53 173.374 174.164 -0.790 1
1 555 . 12 1 1 A 53 53 ILE CA C 53 57.735 57.790 -0.055 1
1 556 . 12 1 1 A 53 53 ILE CB C 53 41.196 38.261 2.935 1
1 560 . 12 1 1 A 53 53 ILE N N 53 123.236 126.577 -3.341 1
1 561 . 12 1 1 A 54 54 PRO HA H 54 4.541 4.360 0.181 1
1 568 . 12 1 1 A 54 54 PRO CA C 54 61.292 63.022 -1.730 1
1 569 . 12 1 1 A 54 54 PRO CB C 54 30.119 31.845 -1.726 1
1 572 . 12 1 1 A 55 55 LEU H H 55 8.146 8.497 -0.351 1
1 573 . 12 1 1 A 55 55 LEU HA H 55 4.262 3.868 0.394 1
1 583 . 12 1 1 A 55 55 LEU CA C 55 58.660 58.827 -0.167 1
1 584 . 12 1 1 A 55 55 LEU CB C 55 39.660 39.567 0.093 1
1 588 . 12 1 1 A 55 55 LEU N N 55 127.224 123.499 3.725 1
1 589 . 12 1 1 A 56 56 PRO HA H 56 4.630 4.222 0.408 1
1 596 . 12 1 1 A 56 56 PRO C C 56 177.498 178.489 -0.991 1
1 597 . 12 1 1 A 56 56 PRO CA C 56 65.782 66.360 -0.578 1
1 598 . 12 1 1 A 56 56 PRO CB C 56 31.188 30.696 0.492 1
1 601 . 12 1 1 A 57 57 SER H H 57 7.722 7.945 -0.223 1
1 602 . 12 1 1 A 57 57 SER HA H 57 4.723 4.551 0.172 1
1 605 . 12 1 1 A 57 57 SER C C 57 174.102 174.188 -0.086 1
1 606 . 12 1 1 A 57 57 SER CA C 57 58.423 59.979 -1.556 1
1 607 . 12 1 1 A 57 57 SER CB C 57 63.924 64.322 -0.398 1
1 608 . 12 1 1 A 57 57 SER N N 57 110.169 111.060 -0.891 1
1 609 . 12 1 1 A 58 58 CYS H H 58 8.002 7.699 0.303 1
1 610 . 12 1 1 A 58 58 CYS HA H 58 5.282 4.439 0.843 1
1 613 . 12 1 1 A 58 58 CYS C C 58 174.525 174.437 0.088 1
1 614 . 12 1 1 A 58 58 CYS CA C 58 59.447 60.112 -0.665 1
1 615 . 12 1 1 A 58 58 CYS CB C 58 29.594 27.928 1.666 1
1 616 . 12 1 1 A 58 58 CYS N N 58 118.902 118.151 0.751 1
1 617 . 12 1 1 A 59 59 LYS H H 59 9.242 8.821 0.421 1
1 618 . 12 1 1 A 59 59 LYS HA H 59 4.777 4.782 -0.005 1
1 627 . 12 1 1 A 59 59 LYS C C 59 175.947 175.092 0.855 1
1 628 . 12 1 1 A 59 59 LYS CA C 59 55.299 54.728 0.571 1
1 629 . 12 1 1 A 59 59 LYS CB C 59 34.561 33.880 0.681 1
1 633 . 12 1 1 A 59 59 LYS N N 59 122.306 125.759 -3.453 1
1 634 . 12 1 1 A 60 60 LEU H H 60 9.030 8.969 0.061 1
1 635 . 12 1 1 A 60 60 LEU HA H 60 5.543 4.625 0.918 1
1 645 . 12 1 1 A 60 60 LEU C C 60 176.239 176.052 0.187 1
1 646 . 12 1 1 A 60 60 LEU CA C 60 53.958 54.687 -0.729 1
1 647 . 12 1 1 A 60 60 LEU CB C 60 44.454 42.055 2.399 1
1 651 . 12 1 1 A 60 60 LEU N N 60 129.520 129.159 0.361 1
1 652 . 12 1 1 A 61 61 SER H H 61 9.077 8.440 0.637 1
1 653 . 12 1 1 A 61 61 SER HA H 61 4.832 5.231 -0.399 1
1 656 . 12 1 1 A 61 61 SER C C 61 172.173 173.121 -0.948 1
1 657 . 12 1 1 A 61 61 SER CA C 61 57.558 57.039 0.519 1
1 658 . 12 1 1 A 61 61 SER CB C 61 65.692 65.963 -0.271 1
1 659 . 12 1 1 A 61 61 SER N N 61 117.374 119.005 -1.631 1
1 660 . 12 1 1 A 62 62 VAL H H 62 8.784 8.892 -0.108 1
1 661 . 12 1 1 A 62 62 VAL HA H 62 4.927 4.635 0.292 1
1 669 . 12 1 1 A 62 62 VAL C C 62 174.367 174.499 -0.132 1
1 670 . 12 1 1 A 62 62 VAL CA C 62 59.782 58.705 1.077 1
1 671 . 12 1 1 A 62 62 VAL CB C 62 33.518 34.353 -0.835 1
1 674 . 12 1 1 A 62 62 VAL N N 62 119.929 123.772 -3.843 1
1 675 . 12 1 1 A 63 63 PRO HA H 63 4.495 4.677 -0.182 1
1 682 . 12 1 1 A 63 63 PRO CA C 63 62.526 62.349 0.177 1
1 683 . 12 1 1 A 63 63 PRO CB C 63 32.504 32.793 -0.289 1
1 686 . 12 1 1 A 64 64 ASP H H 64 8.762 8.559 0.203 1
1 687 . 12 1 1 A 64 64 ASP HA H 64 4.780 5.180 -0.400 1
1 690 . 12 1 1 A 64 64 ASP CA C 64 53.231 51.505 1.726 1
1 691 . 12 1 1 A 64 64 ASP CB C 64 41.105 40.889 0.216 1
1 692 . 12 1 1 A 64 64 ASP N N 64 123.527 120.669 2.858 1
1 693 . 12 1 1 A 65 65 PRO HA H 65 4.371 4.321 0.050 1
1 700 . 12 1 1 A 65 65 PRO C C 65 178.309 178.653 -0.344 1
1 701 . 12 1 1 A 65 65 PRO CA C 65 64.829 65.611 -0.782 1
1 702 . 12 1 1 A 65 65 PRO CB C 65 32.136 31.893 0.243 1
1 705 . 12 1 1 A 66 66 GLU H H 66 8.890 8.520 0.370 1
1 706 . 12 1 1 A 66 66 GLU HA H 66 4.129 4.069 0.060 1
1 711 . 12 1 1 A 66 66 GLU C C 66 177.222 177.623 -0.401 1
1 712 . 12 1 1 A 66 66 GLU CA C 66 57.805 59.935 -2.130 1
1 713 . 12 1 1 A 66 66 GLU CB C 66 29.334 29.076 0.258 1
1 715 . 12 1 1 A 66 66 GLU N N 66 117.225 117.592 -0.367 1
1 716 . 12 1 1 A 67 67 GLU H H 67 7.971 7.889 0.082 1
1 717 . 12 1 1 A 67 67 GLU HA H 67 4.136 4.402 -0.266 1
1 722 . 12 1 1 A 67 67 GLU C C 67 176.058 175.901 0.157 1
1 723 . 12 1 1 A 67 67 GLU CA C 67 57.328 56.871 0.457 1
1 724 . 12 1 1 A 67 67 GLU CB C 67 29.594 30.866 -1.272 1
1 726 . 12 1 1 A 67 67 GLU N N 67 119.516 119.033 0.483 1
1 727 . 12 1 1 A 68 68 ARG H H 68 8.020 8.868 -0.848 1
1 728 . 12 1 1 A 68 68 ARG HA H 68 4.043 4.988 -0.945 1
1 735 . 12 1 1 A 68 68 ARG C C 68 175.591 175.113 0.478 1
1 736 . 12 1 1 A 68 68 ARG CA C 68 56.075 55.110 0.965 1
1 737 . 12 1 1 A 68 68 ARG CB C 68 28.927 31.160 -2.233 1
1 740 . 12 1 1 A 68 68 ARG N N 68 118.917 119.729 -0.812 1
1 741 . 12 1 1 A 69 69 LEU H H 69 8.188 8.585 -0.397 1
1 742 . 12 1 1 A 69 69 LEU HA H 69 4.372 4.909 -0.537 1
1 752 . 12 1 1 A 69 69 LEU C C 69 176.013 177.567 -1.554 1
1 753 . 12 1 1 A 69 69 LEU CA C 69 54.682 53.723 0.959 1
1 754 . 12 1 1 A 69 69 LEU CB C 69 43.238 42.859 0.379 1
1 758 . 12 1 1 A 69 69 LEU N N 69 122.935 126.170 -3.235 1
1 759 . 12 1 1 A 70 70 ASP H H 70 8.382 8.269 0.113 1
1 760 . 12 1 1 A 70 70 ASP HA H 70 4.123 4.284 -0.161 1
1 763 . 12 1 1 A 70 70 ASP C C 70 175.200 175.552 -0.352 1
1 764 . 12 1 1 A 70 70 ASP CA C 70 54.558 56.371 -1.813 1
1 765 . 12 1 1 A 70 70 ASP CB C 70 40.634 39.805 0.829 1
1 766 . 12 1 1 A 70 70 ASP N N 70 119.400 120.665 -1.265 1
1 767 . 12 1 1 A 71 71 SER H H 71 7.391 7.424 -0.033 1
1 768 . 12 1 1 A 71 71 SER HA H 71 4.233 4.459 -0.226 1
1 771 . 12 1 1 A 71 71 SER C C 71 174.294 174.694 -0.400 1
1 772 . 12 1 1 A 71 71 SER CA C 71 58.017 56.285 1.732 1
1 773 . 12 1 1 A 71 71 SER CB C 71 63.430 65.145 -1.715 1
1 774 . 12 1 1 A 71 71 SER N N 71 114.807 114.150 0.657 1
1 775 . 12 1 1 A 72 72 GLY H H 72 7.981 8.275 -0.294 1
1 776 . 12 1 1 A 72 72 GLY HA2 H 72 3.702 3.628 0.074 1
1 777 . 12 1 1 A 72 72 GLY HA3 H 72 3.610 3.773 -0.163 1
1 778 . 12 1 1 A 72 72 GLY C C 72 172.912 173.712 -0.800 1
1 779 . 12 1 1 A 72 72 GLY CA C 72 44.675 45.603 -0.928 1
1 780 . 12 1 1 A 72 72 GLY N N 72 108.675 111.105 -2.430 1
1 781 . 12 1 1 A 73 73 HIS H H 73 8.462 7.998 0.464 1
1 782 . 12 1 1 A 73 73 HIS HA H 73 4.859 5.239 -0.380 1
1 787 . 12 1 1 A 73 73 HIS C C 73 174.804 173.905 0.899 1
1 788 . 12 1 1 A 73 73 HIS CA C 73 54.700 54.212 0.488 1
1 789 . 12 1 1 A 73 73 HIS CB C 73 28.762 31.233 -2.471 1
1 792 . 12 1 1 A 73 73 HIS N N 73 122.843 118.747 4.096 1
1 793 . 12 1 1 A 74 74 VAL H H 74 7.682 8.840 -1.158 1
1 794 . 12 1 1 A 74 74 VAL HA H 74 5.402 4.726 0.676 1
1 802 . 12 1 1 A 74 74 VAL C C 74 176.121 173.823 2.298 1
1 803 . 12 1 1 A 74 74 VAL CA C 74 61.246 60.286 0.960 1
1 804 . 12 1 1 A 74 74 VAL CB C 74 35.383 35.777 -0.394 1
1 807 . 12 1 1 A 74 74 VAL N N 74 120.824 121.471 -0.647 1
1 808 . 12 1 1 A 75 75 TRP H H 75 9.581 8.501 1.080 1
1 809 . 12 1 1 A 75 75 TRP HA H 75 5.342 5.964 -0.622 1
1 818 . 12 1 1 A 75 75 TRP C C 75 171.123 173.426 -2.303 1
1 819 . 12 1 1 A 75 75 TRP CA C 75 57.046 54.597 2.449 1
1 820 . 12 1 1 A 75 75 TRP CB C 75 32.834 33.098 -0.264 1
1 826 . 12 1 1 A 75 75 TRP N N 75 124.656 122.597 2.059 1
1 828 . 12 1 1 A 76 76 LYS H H 76 9.557 9.240 0.317 1
1 829 . 12 1 1 A 76 76 LYS HA H 76 5.192 4.660 0.532 1
1 838 . 12 1 1 A 76 76 LYS C C 76 174.801 174.905 -0.104 1
1 839 . 12 1 1 A 76 76 LYS CA C 76 54.876 54.441 0.435 1
1 840 . 12 1 1 A 76 76 LYS CB C 76 36.740 34.441 2.299 1
1 844 . 12 1 1 A 76 76 LYS N N 76 121.724 121.039 0.685 1
1 845 . 12 1 1 A 77 77 LEU H H 77 8.957 8.618 0.339 1
1 846 . 12 1 1 A 77 77 LEU HA H 77 5.272 5.509 -0.237 1
1 856 . 12 1 1 A 77 77 LEU C C 77 174.927 175.133 -0.206 1
1 857 . 12 1 1 A 77 77 LEU CA C 77 54.046 53.918 0.128 1
1 858 . 12 1 1 A 77 77 LEU CB C 77 46.281 45.152 1.129 1
1 862 . 12 1 1 A 77 77 LEU N N 77 124.578 125.231 -0.653 1
1 863 . 12 1 1 A 78 78 GLN H H 78 8.629 8.764 -0.135 1
1 864 . 12 1 1 A 78 78 GLN HA H 78 5.308 5.702 -0.394 1
1 871 . 12 1 1 A 78 78 GLN C C 78 174.564 174.651 -0.087 1
1 872 . 12 1 1 A 78 78 GLN CA C 78 54.452 54.391 0.061 1
1 873 . 12 1 1 A 78 78 GLN CB C 78 32.833 31.915 0.918 1
1 875 . 12 1 1 A 78 78 GLN N N 78 121.344 125.316 -3.972 1
1 877 . 12 1 1 A 79 79 TRP H H 79 8.601 8.202 0.399 1
1 878 . 12 1 1 A 79 79 TRP HA H 79 5.003 4.991 0.012 1
1 887 . 12 1 1 A 79 79 TRP C C 79 173.001 174.105 -1.104 1
1 888 . 12 1 1 A 79 79 TRP CA C 79 56.323 56.716 -0.393 1
1 889 . 12 1 1 A 79 79 TRP CB C 79 32.258 31.444 0.814 1
1 895 . 12 1 1 A 79 79 TRP N N 79 128.274 123.548 4.726 1
1 897 . 12 1 1 A 80 80 ALA H H 80 9.181 9.338 -0.157 1
1 898 . 12 1 1 A 80 80 ALA HA H 80 3.933 3.930 0.003 1
1 902 . 12 1 1 A 80 80 ALA C C 80 177.360 176.337 1.023 1
1 903 . 12 1 1 A 80 80 ALA CA C 80 54.222 53.240 0.982 1
1 904 . 12 1 1 A 80 80 ALA CB C 80 17.329 17.267 0.062 1
1 905 . 12 1 1 A 80 80 ALA N N 80 126.348 121.619 4.729 1
1 906 . 12 1 1 A 81 81 LYS H H 81 8.163 8.409 -0.246 1
1 907 . 12 1 1 A 81 81 LYS HA H 81 4.290 3.720 0.570 1
1 916 . 12 1 1 A 81 81 LYS C C 81 176.068 174.577 1.491 1
1 917 . 12 1 1 A 81 81 LYS CA C 81 56.305 57.367 -1.062 1
1 918 . 12 1 1 A 81 81 LYS CB C 81 31.312 29.360 1.952 1
1 922 . 12 1 1 A 81 81 LYS N N 81 120.289 107.382 12.907 1
1 923 . 12 1 1 A 82 82 GLN H H 82 8.423 7.646 0.777 1
1 924 . 12 1 1 A 82 82 GLN HA H 82 4.255 4.717 -0.462 1
1 931 . 12 1 1 A 82 82 GLN C C 82 174.996 174.262 0.734 1
1 932 . 12 1 1 A 82 82 GLN CA C 82 54.805 53.848 0.957 1
1 933 . 12 1 1 A 82 82 GLN CB C 82 30.942 32.353 -1.411 1
1 935 . 12 1 1 A 82 82 GLN N N 82 119.918 116.376 3.542 1
1 937 . 12 1 1 A 83 83 SER H H 83 7.683 8.320 -0.637 1
1 938 . 12 1 1 A 83 83 SER HA H 83 4.991 5.572 -0.581 1
1 941 . 12 1 1 A 83 83 SER C C 83 171.947 172.635 -0.688 1
1 942 . 12 1 1 A 83 83 SER CA C 83 57.629 57.060 0.569 1
1 943 . 12 1 1 A 83 83 SER CB C 83 64.664 65.566 -0.902 1
1 944 . 12 1 1 A 83 83 SER N N 83 115.649 112.845 2.804 1
1 945 . 12 1 1 A 84 84 TRP H H 84 8.665 9.037 -0.372 1
1 946 . 12 1 1 A 84 84 TRP HA H 84 4.714 5.030 -0.316 1
1 955 . 12 1 1 A 84 84 TRP C C 84 174.105 174.635 -0.530 1
1 956 . 12 1 1 A 84 84 TRP CA C 84 56.834 56.160 0.674 1
1 957 . 12 1 1 A 84 84 TRP CB C 84 33.368 33.417 -0.049 1
1 963 . 12 1 1 A 84 84 TRP N N 84 122.334 123.905 -1.571 1
1 965 . 12 1 1 A 85 85 TYR H H 85 9.220 9.068 0.152 1
1 966 . 12 1 1 A 85 85 TYR HA H 85 5.209 5.145 0.064 1
1 973 . 12 1 1 A 85 85 TYR C C 85 175.136 175.079 0.057 1
1 974 . 12 1 1 A 85 85 TYR CA C 85 56.993 56.697 0.296 1
1 975 . 12 1 1 A 85 85 TYR CB C 85 41.058 40.655 0.403 1
1 980 . 12 1 1 A 85 85 TYR N N 85 117.934 122.381 -4.447 1
1 981 . 12 1 1 A 86 86 LEU H H 86 8.662 8.739 -0.077 1
1 982 . 12 1 1 A 86 86 LEU HA H 86 5.172 4.836 0.336 1
1 992 . 12 1 1 A 86 86 LEU C C 86 174.454 174.394 0.060 1
1 993 . 12 1 1 A 86 86 LEU CA C 86 53.587 53.399 0.188 1
1 994 . 12 1 1 A 86 86 LEU CB C 86 43.773 42.866 0.907 1
1 998 . 12 1 1 A 86 86 LEU N N 86 121.945 123.857 -1.912 1
1 999 . 12 1 1 A 87 87 SER H H 87 8.642 8.343 0.299 1
1 1000 . 12 1 1 A 87 87 SER HA H 87 4.995 5.025 -0.030 1
1 1003 . 12 1 1 A 87 87 SER C C 87 173.683 173.656 0.027 1
1 1004 . 12 1 1 A 87 87 SER CA C 87 55.052 56.566 -1.514 1
1 1005 . 12 1 1 A 87 87 SER CB C 87 65.487 64.904 0.583 1
1 1006 . 12 1 1 A 87 87 SER N N 87 111.719 121.193 -9.474 1
1 1007 . 12 1 1 A 88 88 ALA H H 88 8.472 8.469 0.003 1
1 1008 . 12 1 1 A 88 88 ALA HA H 88 5.184 4.840 0.344 1
1 1012 . 12 1 1 A 88 88 ALA C C 88 178.012 177.865 0.147 1
1 1013 . 12 1 1 A 88 88 ALA CA C 88 49.423 50.253 -0.830 1
1 1014 . 12 1 1 A 88 88 ALA CB C 88 22.919 22.748 0.171 1
1 1015 . 12 1 1 A 88 88 ALA N N 88 126.939 128.101 -1.162 1
1 1016 . 12 1 1 A 89 89 SER H H 89 8.182 8.564 -0.382 1
1 1017 . 12 1 1 A 89 89 SER HA H 89 4.274 4.245 0.029 1
1 1020 . 12 1 1 A 89 89 SER C C 89 174.039 174.613 -0.574 1
1 1021 . 12 1 1 A 89 89 SER CA C 89 60.135 61.860 -1.725 1
1 1022 . 12 1 1 A 89 89 SER CB C 89 63.571 63.154 0.417 1
1 1023 . 12 1 1 A 89 89 SER N N 89 111.359 116.421 -5.062 1
1 1024 . 12 1 1 A 90 90 SER H H 90 7.392 7.858 -0.466 1
1 1025 . 12 1 1 A 90 90 SER HA H 90 4.383 4.164 0.219 1
1 1028 . 12 1 1 A 90 90 SER C C 90 173.114 174.007 -0.893 1
1 1029 . 12 1 1 A 90 90 SER CA C 90 56.023 57.010 -0.987 1
1 1030 . 12 1 1 A 90 90 SER CB C 90 67.108 65.113 1.995 1
1 1031 . 12 1 1 A 90 90 SER N N 90 113.112 112.042 1.070 1
1 1032 . 12 1 1 A 91 91 ALA H H 91 8.532 7.990 0.542 1
1 1033 . 12 1 1 A 91 91 ALA HA H 91 3.763 4.156 -0.393 1
1 1037 . 12 1 1 A 91 91 ALA C C 91 179.816 179.482 0.334 1
1 1038 . 12 1 1 A 91 91 ALA CA C 91 54.699 55.290 -0.591 1
1 1039 . 12 1 1 A 91 91 ALA CB C 91 18.111 18.209 -0.098 1
1 1040 . 12 1 1 A 91 91 ALA N N 91 123.767 123.787 -0.020 1
1 1041 . 12 1 1 A 92 92 GLU H H 92 8.766 8.348 0.418 1
1 1042 . 12 1 1 A 92 92 GLU HA H 92 3.942 4.122 -0.180 1
1 1047 . 12 1 1 A 92 92 GLU C C 92 179.568 178.745 0.823 1
1 1048 . 12 1 1 A 92 92 GLU CA C 92 60.206 59.690 0.516 1
1 1049 . 12 1 1 A 92 92 GLU CB C 92 28.721 29.401 -0.680 1
1 1051 . 12 1 1 A 92 92 GLU N N 92 118.712 118.371 0.341 1
1 1052 . 12 1 1 A 93 93 LEU H H 93 7.852 8.073 -0.221 1
1 1053 . 12 1 1 A 93 93 LEU HA H 93 4.274 4.503 -0.229 1
1 1063 . 12 1 1 A 93 93 LEU C C 93 178.805 178.634 0.171 1
1 1064 . 12 1 1 A 93 93 LEU CA C 93 57.382 57.425 -0.043 1
1 1065 . 12 1 1 A 93 93 LEU CB C 93 43.115 41.466 1.649 1
1 1069 . 12 1 1 A 93 93 LEU N N 93 121.212 121.170 0.042 1
1 1070 . 12 1 1 A 94 94 GLN H H 94 8.080 8.598 -0.518 1
1 1071 . 12 1 1 A 94 94 GLN HA H 94 3.843 4.255 -0.412 1
1 1078 . 12 1 1 A 94 94 GLN C C 94 176.960 177.975 -1.015 1
1 1079 . 12 1 1 A 94 94 GLN CA C 94 59.694 59.346 0.348 1
1 1080 . 12 1 1 A 94 94 GLN CB C 94 28.063 28.617 -0.554 1
1 1082 . 12 1 1 A 94 94 GLN N N 94 120.439 119.570 0.869 1
1 1084 . 12 1 1 A 95 95 GLN H H 95 8.293 8.256 0.037 1
1 1085 . 12 1 1 A 95 95 GLN HA H 95 3.779 4.052 -0.273 1
1 1092 . 12 1 1 A 95 95 GLN C C 95 177.938 178.399 -0.461 1
1 1093 . 12 1 1 A 95 95 GLN CA C 95 59.005 58.942 0.063 1
1 1094 . 12 1 1 A 95 95 GLN CB C 95 27.610 28.469 -0.859 1
1 1096 . 12 1 1 A 95 95 GLN N N 95 117.408 118.741 -1.333 1
1 1098 . 12 1 1 A 96 96 GLN H H 96 7.731 7.931 -0.200 1
1 1099 . 12 1 1 A 96 96 GLN HA H 96 3.966 4.004 -0.038 1
1 1106 . 12 1 1 A 96 96 GLN C C 96 179.685 177.418 2.267 1
1 1107 . 12 1 1 A 96 96 GLN CA C 96 58.987 58.001 0.986 1
1 1108 . 12 1 1 A 96 96 GLN CB C 96 28.433 27.977 0.456 1
1 1110 . 12 1 1 A 96 96 GLN N N 96 119.621 117.027 2.594 1
1 1112 . 12 1 1 A 97 97 TRP H H 97 8.410 7.191 1.219 1
1 1113 . 12 1 1 A 97 97 TRP HA H 97 3.792 4.461 -0.669 1
1 1122 . 12 1 1 A 97 97 TRP C C 97 178.515 178.824 -0.309 1
1 1123 . 12 1 1 A 97 97 TRP CA C 97 61.670 59.546 2.124 1
1 1124 . 12 1 1 A 97 97 TRP CB C 97 29.972 30.166 -0.194 1
1 1130 . 12 1 1 A 97 97 TRP N N 97 121.370 119.926 1.444 1
1 1132 . 12 1 1 A 98 98 LEU H H 98 8.505 8.402 0.103 1
1 1133 . 12 1 1 A 98 98 LEU HA H 98 3.485 3.550 -0.065 1
1 1143 . 12 1 1 A 98 98 LEU C C 98 180.194 178.987 1.207 1
1 1144 . 12 1 1 A 98 98 LEU CA C 98 58.706 57.918 0.788 1
1 1145 . 12 1 1 A 98 98 LEU CB C 98 41.141 41.340 -0.199 1
1 1149 . 12 1 1 A 98 98 LEU N N 98 119.038 119.951 -0.913 1
1 1150 . 12 1 1 A 99 99 GLU H H 99 8.241 8.367 -0.126 1
1 1151 . 12 1 1 A 99 99 GLU HA H 99 3.927 3.959 -0.032 1
1 1156 . 12 1 1 A 99 99 GLU C C 99 179.082 178.939 0.143 1
1 1157 . 12 1 1 A 99 99 GLU CA C 99 59.587 59.326 0.261 1
1 1158 . 12 1 1 A 99 99 GLU CB C 99 29.296 29.400 -0.104 1
1 1160 . 12 1 1 A 99 99 GLU N N 99 119.886 117.417 2.469 1
1 1161 . 12 1 1 A 100 100 THR H H 100 7.780 7.633 0.147 1
1 1162 . 12 1 1 A 100 100 THR HA H 100 3.862 3.878 -0.016 1
1 1167 . 12 1 1 A 100 100 THR C C 100 176.899 176.608 0.291 1
1 1168 . 12 1 1 A 100 100 THR CA C 100 67.088 66.757 0.331 1
1 1169 . 12 1 1 A 100 100 THR CB C 100 68.178 68.251 -0.073 1
1 1171 . 12 1 1 A 100 100 THR N N 100 116.913 115.056 1.857 1
1 1172 . 12 1 1 A 101 101 LEU H H 101 9.159 8.341 0.818 1
1 1173 . 12 1 1 A 101 101 LEU HA H 101 3.993 3.982 0.011 1
1 1183 . 12 1 1 A 101 101 LEU C C 101 178.416 179.604 -1.188 1
1 1184 . 12 1 1 A 101 101 LEU CA C 101 58.017 57.845 0.172 1
1 1185 . 12 1 1 A 101 101 LEU CB C 101 42.004 41.608 0.396 1
1 1189 . 12 1 1 A 101 101 LEU N N 101 121.065 120.437 0.628 1
1 1190 . 12 1 1 A 102 102 SER H H 102 7.978 8.121 -0.143 1
1 1191 . 12 1 1 A 102 102 SER HA H 102 4.094 4.114 -0.020 1
1 1194 . 12 1 1 A 102 102 SER C C 102 176.370 176.405 -0.035 1
1 1195 . 12 1 1 A 102 102 SER CA C 102 61.794 62.498 -0.704 1
1 1196 . 12 1 1 A 102 102 SER CB C 102 62.855 62.989 -0.134 1
1 1197 . 12 1 1 A 102 102 SER N N 102 112.923 114.359 -1.436 1
1 1198 . 12 1 1 A 103 103 THR H H 103 7.683 8.456 -0.773 1
1 1199 . 12 1 1 A 103 103 THR HA H 103 4.020 3.966 0.054 1
1 1204 . 12 1 1 A 103 103 THR C C 103 176.061 176.495 -0.434 1
1 1205 . 12 1 1 A 103 103 THR CA C 103 65.412 66.388 -0.976 1
1 1206 . 12 1 1 A 103 103 THR CB C 103 68.918 68.737 0.181 1
1 1208 . 12 1 1 A 103 103 THR N N 103 116.420 116.659 -0.239 1
1 1209 . 12 1 1 A 104 104 ALA H H 104 7.760 7.880 -0.120 1
1 1210 . 12 1 1 A 104 104 ALA HA H 104 4.272 4.037 0.235 1
1 1214 . 12 1 1 A 104 104 ALA C C 104 178.160 179.637 -1.477 1
1 1215 . 12 1 1 A 104 104 ALA CA C 104 54.011 55.056 -1.045 1
1 1216 . 12 1 1 A 104 104 ALA CB C 104 20.155 18.937 1.218 1
1 1217 . 12 1 1 A 104 104 ALA N N 104 123.981 123.329 0.652 1
1 1218 . 12 1 1 A 105 105 ALA H H 105 7.824 8.078 -0.254 1
1 1219 . 12 1 1 A 105 105 ALA HA H 105 4.092 4.074 0.018 1
1 1223 . 12 1 1 A 105 105 ALA C C 105 177.657 177.534 0.123 1
1 1224 . 12 1 1 A 105 105 ALA CA C 105 53.058 55.544 -2.486 1
1 1225 . 12 1 1 A 105 105 ALA CB C 105 19.067 19.074 -0.007 1
1 1226 . 12 1 1 A 105 105 ALA N N 105 118.227 118.954 -0.727 1
1 1227 . 12 1 1 A 106 106 HIS H H 106 7.675 7.984 -0.309 1
1 1228 . 12 1 1 A 106 106 HIS HA H 106 4.703 5.196 -0.493 1
1 1233 . 12 1 1 A 106 106 HIS C C 106 175.296 174.999 0.297 1
1 1234 . 12 1 1 A 106 106 HIS CA C 106 56.287 54.632 1.655 1
1 1235 . 12 1 1 A 106 106 HIS CB C 106 30.407 33.236 -2.829 1
1 1238 . 12 1 1 A 106 106 HIS N N 106 115.860 112.078 3.782 1
1 1239 . 12 1 1 A 107 107 SER H H 107 8.015 8.640 -0.625 1
1 1240 . 12 1 1 A 107 107 SER HA H 107 4.560 4.177 0.383 1
1 1243 . 12 1 1 A 107 107 SER C C 107 174.345 174.914 -0.569 1
1 1244 . 12 1 1 A 107 107 SER CA C 107 58.546 59.392 -0.846 1
1 1245 . 12 1 1 A 107 107 SER CB C 107 64.130 61.755 2.375 1
1 1246 . 12 1 1 A 107 107 SER N N 107 116.310 119.842 -3.532 1
1 1247 . 12 1 1 A 108 108 GLY H H 108 8.282 8.922 -0.640 1
1 1248 . 12 1 1 A 108 108 GLY HA2 H 108 4.213 4.064 0.149 1
1 1249 . 12 1 1 A 108 108 GLY HA3 H 108 4.042 4.064 -0.022 1
1 1250 . 12 1 1 A 108 108 GLY C C 108 171.750 173.528 -1.778 1
1 1251 . 12 1 1 A 108 108 GLY CA C 108 44.640 44.707 -0.067 1
1 1252 . 12 1 1 A 108 108 GLY N N 108 110.511 114.916 -4.405 1
1 1253 . 12 1 1 A 109 109 PRO HA H 109 4.497 4.387 0.110 1
1 1260 . 12 1 1 A 109 109 PRO C C 109 177.419 176.455 0.964 1
1 1261 . 12 1 1 A 109 109 PRO CA C 109 63.241 63.322 -0.081 1
1 1262 . 12 1 1 A 109 109 PRO CB C 109 32.264 31.769 0.495 1
1 1265 . 12 1 1 A 110 110 SER H H 110 8.558 8.600 -0.042 1
1 1266 . 12 1 1 A 110 110 SER C C 110 174.715 174.896 -0.181 1
1 1267 . 12 1 1 A 110 110 SER CA C 110 58.335 57.113 1.222 1
1 1268 . 12 1 1 A 110 110 SER CB C 110 63.759 61.450 2.309 1
1 1269 . 12 1 1 A 110 110 SER N N 110 116.470 120.469 -3.999 1
1 1270 . 12 1 1 A 111 111 SER H H 111 8.357 8.223 0.134 1
1 1271 . 12 1 1 A 111 111 SER C C 111 173.931 173.795 0.136 1
1 1272 . 12 1 1 A 111 111 SER CA C 111 58.335 59.188 -0.853 1
1 1 . 13 1 1 A 8 8 SER HA H 8 5.012 5.314 -0.302 1
1 4 . 13 1 1 A 8 8 SER CA C 8 58.166 57.518 0.648 1
1 5 . 13 1 1 A 8 8 SER CB C 8 64.582 66.214 -1.632 1
1 6 . 13 1 1 A 9 9 LEU H H 9 9.253 8.509 0.744 1
1 7 . 13 1 1 A 9 9 LEU HA H 9 4.091 3.935 0.156 1
1 17 . 13 1 1 A 9 9 LEU C C 9 176.799 176.718 0.081 1
1 18 . 13 1 1 A 9 9 LEU CA C 9 57.523 57.767 -0.244 1
1 19 . 13 1 1 A 9 9 LEU CB C 9 42.703 42.012 0.691 1
1 23 . 13 1 1 A 9 9 LEU N N 9 127.432 127.387 0.045 1
1 24 . 13 1 1 A 10 10 LEU H H 10 6.827 7.722 -0.895 1
1 25 . 13 1 1 A 10 10 LEU HA H 10 4.201 4.604 -0.403 1
1 35 . 13 1 1 A 10 10 LEU C C 10 173.779 174.645 -0.866 1
1 36 . 13 1 1 A 10 10 LEU CA C 10 54.399 53.974 0.425 1
1 37 . 13 1 1 A 10 10 LEU CB C 10 45.006 45.644 -0.638 1
1 41 . 13 1 1 A 10 10 LEU N N 10 116.105 117.941 -1.836 1
1 42 . 13 1 1 A 11 11 CYS H H 11 7.989 8.922 -0.933 1
1 43 . 13 1 1 A 11 11 CYS HA H 11 5.743 5.273 0.470 1
1 46 . 13 1 1 A 11 11 CYS C C 11 172.654 173.303 -0.649 1
1 47 . 13 1 1 A 11 11 CYS CA C 11 55.546 57.280 -1.734 1
1 48 . 13 1 1 A 11 11 CYS CB C 11 31.333 31.347 -0.014 1
1 49 . 13 1 1 A 11 11 CYS N N 11 117.939 122.764 -4.825 1
1 50 . 13 1 1 A 12 12 GLY H H 12 8.479 7.340 1.139 1
1 51 . 13 1 1 A 12 12 GLY HA2 H 12 4.419 3.684 0.735 1
1 52 . 13 1 1 A 12 12 GLY HA3 H 12 2.832 4.090 -1.258 1
1 53 . 13 1 1 A 12 12 GLY C C 12 168.720 171.994 -3.274 1
1 54 . 13 1 1 A 12 12 GLY CA C 12 44.710 44.401 0.309 1
1 55 . 13 1 1 A 12 12 GLY N N 12 109.046 106.669 2.377 1
1 56 . 13 1 1 A 13 13 PRO HA H 13 5.163 4.710 0.453 1
1 63 . 13 1 1 A 13 13 PRO C C 13 177.501 175.236 2.265 1
1 64 . 13 1 1 A 13 13 PRO CA C 13 62.182 62.728 -0.546 1
1 65 . 13 1 1 A 13 13 PRO CB C 13 32.587 31.809 0.778 1
1 68 . 13 1 1 A 14 14 LEU H H 14 8.630 8.758 -0.128 1
1 69 . 13 1 1 A 14 14 LEU HA H 14 4.764 5.026 -0.262 1
1 79 . 13 1 1 A 14 14 LEU C C 14 175.698 174.445 1.253 1
1 80 . 13 1 1 A 14 14 LEU CA C 14 53.975 53.031 0.944 1
1 81 . 13 1 1 A 14 14 LEU CB C 14 48.936 45.880 3.056 1
1 85 . 13 1 1 A 14 14 LEU N N 14 122.246 124.050 -1.804 1
1 86 . 13 1 1 A 15 15 ARG H H 15 8.498 7.952 0.546 1
1 87 . 13 1 1 A 15 15 ARG HA H 15 5.421 5.387 0.034 1
1 95 . 13 1 1 A 15 15 ARG C C 15 174.664 174.616 0.048 1
1 96 . 13 1 1 A 15 15 ARG CA C 15 54.858 54.468 0.390 1
1 97 . 13 1 1 A 15 15 ARG CB C 15 34.085 33.599 0.486 1
1 100 . 13 1 1 A 15 15 ARG N N 15 118.593 122.601 -4.008 1
1 102 . 13 1 1 A 16 16 LEU H H 16 9.244 8.927 0.317 1
1 103 . 13 1 1 A 16 16 LEU HA H 16 5.662 5.743 -0.081 1
1 113 . 13 1 1 A 16 16 LEU C C 16 176.872 174.666 2.206 1
1 114 . 13 1 1 A 16 16 LEU CA C 16 53.746 53.446 0.300 1
1 115 . 13 1 1 A 16 16 LEU CB C 16 47.803 46.622 1.181 1
1 119 . 13 1 1 A 16 16 LEU N N 16 123.893 125.416 -1.523 1
1 120 . 13 1 1 A 17 17 SER H H 17 8.982 8.414 0.568 1
1 121 . 13 1 1 A 17 17 SER HA H 17 4.484 5.465 -0.981 1
1 124 . 13 1 1 A 17 17 SER C C 17 173.790 173.031 0.759 1
1 125 . 13 1 1 A 17 17 SER CA C 17 57.081 56.320 0.761 1
1 126 . 13 1 1 A 17 17 SER CB C 17 64.487 64.935 -0.448 1
1 127 . 13 1 1 A 17 17 SER N N 17 117.455 119.760 -2.305 1
1 128 . 13 1 1 A 18 18 GLU H H 18 9.102 8.659 0.443 1
1 129 . 13 1 1 A 18 18 GLU HA H 18 3.832 4.587 -0.755 1
1 134 . 13 1 1 A 18 18 GLU C C 18 176.185 176.410 -0.225 1
1 135 . 13 1 1 A 18 18 GLU CA C 18 58.793 55.657 3.136 1
1 136 . 13 1 1 A 18 18 GLU CB C 18 30.037 29.802 0.235 1
1 138 . 13 1 1 A 18 18 GLU N N 18 129.354 124.678 4.676 1
1 139 . 13 1 1 A 19 19 SER H H 19 7.792 9.291 -1.499 1
1 140 . 13 1 1 A 19 19 SER HA H 19 4.650 4.402 0.248 1
1 143 . 13 1 1 A 19 19 SER C C 19 175.321 174.342 0.979 1
1 144 . 13 1 1 A 19 19 SER CA C 19 57.699 59.485 -1.786 1
1 145 . 13 1 1 A 19 19 SER CB C 19 65.816 61.817 3.999 1
1 146 . 13 1 1 A 19 19 SER N N 19 108.812 121.659 -12.847 1
1 147 . 13 1 1 A 20 20 GLY H H 20 8.376 8.455 -0.079 1
1 148 . 13 1 1 A 20 20 GLY HA2 H 20 3.931 3.174 0.757 1
1 149 . 13 1 1 A 20 20 GLY HA3 H 20 2.690 3.503 -0.813 1
1 150 . 13 1 1 A 20 20 GLY C C 20 172.644 174.126 -1.482 1
1 151 . 13 1 1 A 20 20 GLY CA C 20 44.746 46.322 -1.576 1
1 152 . 13 1 1 A 20 20 GLY N N 20 111.458 105.825 5.633 1
1 153 . 13 1 1 A 21 21 GLU H H 21 7.522 7.677 -0.155 1
1 154 . 13 1 1 A 21 21 GLU HA H 21 4.274 4.397 -0.123 1
1 159 . 13 1 1 A 21 21 GLU C C 21 176.266 176.280 -0.014 1
1 160 . 13 1 1 A 21 21 GLU CA C 21 58.069 57.282 0.787 1
1 161 . 13 1 1 A 21 21 GLU CB C 21 31.024 32.350 -1.326 1
1 163 . 13 1 1 A 21 21 GLU N N 21 119.071 117.149 1.922 1
1 164 . 13 1 1 A 22 22 THR H H 22 7.436 7.682 -0.246 1
1 165 . 13 1 1 A 22 22 THR HA H 22 4.618 4.757 -0.139 1
1 170 . 13 1 1 A 22 22 THR C C 22 173.662 172.631 1.031 1
1 171 . 13 1 1 A 22 22 THR CA C 22 60.682 59.508 1.174 1
1 172 . 13 1 1 A 22 22 THR CB C 22 70.504 71.083 -0.579 1
1 174 . 13 1 1 A 22 22 THR N N 22 111.176 111.670 -0.494 1
1 175 . 13 1 1 A 23 23 TRP H H 23 9.121 9.057 0.064 1
1 176 . 13 1 1 A 23 23 TRP HA H 23 4.983 5.404 -0.421 1
1 185 . 13 1 1 A 23 23 TRP C C 23 175.888 176.398 -0.510 1
1 186 . 13 1 1 A 23 23 TRP CA C 23 56.570 56.572 -0.002 1
1 187 . 13 1 1 A 23 23 TRP CB C 23 32.176 30.376 1.800 1
1 193 . 13 1 1 A 23 23 TRP N N 23 127.096 129.830 -2.734 1
1 195 . 13 1 1 A 24 24 SER H H 24 9.273 9.474 -0.201 1
1 196 . 13 1 1 A 24 24 SER HA H 24 4.948 5.128 -0.180 1
1 199 . 13 1 1 A 24 24 SER C C 24 173.268 172.623 0.645 1
1 200 . 13 1 1 A 24 24 SER CA C 24 57.346 57.185 0.161 1
1 201 . 13 1 1 A 24 24 SER CB C 24 65.445 66.577 -1.132 1
1 202 . 13 1 1 A 24 24 SER N N 24 118.031 118.275 -0.244 1
1 203 . 13 1 1 A 25 25 GLU H H 25 8.990 8.549 0.441 1
1 204 . 13 1 1 A 25 25 GLU HA H 25 4.737 4.889 -0.152 1
1 209 . 13 1 1 A 25 25 GLU C C 25 176.246 175.725 0.521 1
1 210 . 13 1 1 A 25 25 GLU CA C 25 57.170 55.670 1.500 1
1 211 . 13 1 1 A 25 25 GLU CB C 25 30.202 30.692 -0.490 1
1 213 . 13 1 1 A 25 25 GLU N N 25 125.088 121.544 3.544 1
1 214 . 13 1 1 A 26 26 VAL H H 26 9.012 9.166 -0.154 1
1 215 . 13 1 1 A 26 26 VAL HA H 26 5.002 5.012 -0.010 1
1 223 . 13 1 1 A 26 26 VAL C C 26 174.304 173.631 0.673 1
1 224 . 13 1 1 A 26 26 VAL CA C 26 58.917 59.350 -0.433 1
1 225 . 13 1 1 A 26 26 VAL CB C 26 35.753 35.921 -0.168 1
1 228 . 13 1 1 A 26 26 VAL N N 26 118.076 119.162 -1.086 1
1 229 . 13 1 1 A 27 27 TRP H H 27 8.880 8.977 -0.097 1
1 230 . 13 1 1 A 27 27 TRP HA H 27 4.814 5.342 -0.528 1
1 239 . 13 1 1 A 27 27 TRP C C 27 174.255 174.824 -0.569 1
1 240 . 13 1 1 A 27 27 TRP CA C 27 57.117 55.321 1.796 1
1 241 . 13 1 1 A 27 27 TRP CB C 27 30.325 32.474 -2.149 1
1 247 . 13 1 1 A 27 27 TRP N N 27 122.873 126.154 -3.281 1
1 249 . 13 1 1 A 28 28 ALA H H 28 8.482 8.492 -0.010 1
1 250 . 13 1 1 A 28 28 ALA HA H 28 5.329 5.360 -0.031 1
1 254 . 13 1 1 A 28 28 ALA C C 28 175.519 175.945 -0.426 1
1 255 . 13 1 1 A 28 28 ALA CA C 28 49.670 50.104 -0.434 1
1 256 . 13 1 1 A 28 28 ALA CB C 28 23.827 22.290 1.537 1
1 257 . 13 1 1 A 28 28 ALA N N 28 133.586 129.774 3.812 1
1 258 . 13 1 1 A 29 29 ALA H H 29 8.948 8.760 0.188 1
1 259 . 13 1 1 A 29 29 ALA HA H 29 5.160 5.315 -0.155 1
1 263 . 13 1 1 A 29 29 ALA C C 29 175.956 175.967 -0.011 1
1 264 . 13 1 1 A 29 29 ALA CA C 29 52.210 51.932 0.278 1
1 265 . 13 1 1 A 29 29 ALA CB C 29 23.697 23.348 0.349 1
1 266 . 13 1 1 A 29 29 ALA N N 29 119.901 122.906 -3.005 1
1 267 . 13 1 1 A 30 30 ILE H H 30 8.245 8.722 -0.477 1
1 268 . 13 1 1 A 30 30 ILE HA H 30 5.313 4.614 0.699 1
1 278 . 13 1 1 A 30 30 ILE C C 30 174.004 174.366 -0.362 1
1 279 . 13 1 1 A 30 30 ILE CA C 30 57.699 57.260 0.439 1
1 280 . 13 1 1 A 30 30 ILE CB C 30 40.565 40.191 0.374 1
1 284 . 13 1 1 A 30 30 ILE N N 30 122.332 120.639 1.693 1
1 285 . 13 1 1 A 31 31 PRO HA H 31 4.655 4.678 -0.023 1
1 292 . 13 1 1 A 31 31 PRO C C 31 177.566 177.837 -0.271 1
1 293 . 13 1 1 A 31 31 PRO CA C 31 62.464 62.548 -0.084 1
1 294 . 13 1 1 A 31 31 PRO CB C 31 31.929 31.944 -0.015 1
1 297 . 13 1 1 A 32 32 MET H H 32 8.572 8.665 -0.093 1
1 298 . 13 1 1 A 32 32 MET HA H 32 3.997 4.159 -0.162 1
1 306 . 13 1 1 A 32 32 MET C C 32 177.770 178.023 -0.253 1
1 307 . 13 1 1 A 32 32 MET CA C 32 58.158 58.641 -0.483 1
1 308 . 13 1 1 A 32 32 MET CB C 32 31.929 32.746 -0.817 1
1 311 . 13 1 1 A 32 32 MET N N 32 121.580 124.218 -2.638 1
1 312 . 13 1 1 A 33 33 SER H H 33 8.163 8.148 0.015 1
1 313 . 13 1 1 A 33 33 SER HA H 33 4.213 4.154 0.059 1
1 316 . 13 1 1 A 33 33 SER C C 33 174.424 173.946 0.478 1
1 317 . 13 1 1 A 33 33 SER CA C 33 58.864 61.146 -2.282 1
1 318 . 13 1 1 A 33 33 SER CB C 33 63.225 63.205 0.020 1
1 319 . 13 1 1 A 33 33 SER N N 33 109.218 114.512 -5.294 1
1 320 . 13 1 1 A 34 34 ASP H H 34 7.179 7.912 -0.733 1
1 321 . 13 1 1 A 34 34 ASP HA H 34 4.912 5.090 -0.178 1
1 324 . 13 1 1 A 34 34 ASP C C 34 171.847 174.211 -2.364 1
1 325 . 13 1 1 A 34 34 ASP CA C 34 52.581 51.252 1.329 1
1 326 . 13 1 1 A 34 34 ASP CB C 34 41.223 41.429 -0.206 1
1 327 . 13 1 1 A 34 34 ASP N N 34 120.601 118.345 2.256 1
1 328 . 13 1 1 A 35 35 PRO HA H 35 4.510 4.504 0.006 1
1 335 . 13 1 1 A 35 35 PRO C C 35 175.635 175.915 -0.280 1
1 336 . 13 1 1 A 35 35 PRO CA C 35 64.511 63.959 0.552 1
1 337 . 13 1 1 A 35 35 PRO CB C 35 31.729 32.185 -0.456 1
1 340 . 13 1 1 A 36 36 GLN H H 36 7.982 8.197 -0.215 1
1 341 . 13 1 1 A 36 36 GLN HA H 36 4.472 4.497 -0.025 1
1 348 . 13 1 1 A 36 36 GLN C C 36 174.646 174.551 0.095 1
1 349 . 13 1 1 A 36 36 GLN CA C 36 55.193 55.692 -0.499 1
1 350 . 13 1 1 A 36 36 GLN CB C 36 29.420 29.686 -0.266 1
1 352 . 13 1 1 A 36 36 GLN N N 36 114.393 118.109 -3.716 1
1 354 . 13 1 1 A 37 37 VAL H H 37 7.878 7.593 0.285 1
1 355 . 13 1 1 A 37 37 VAL HA H 37 4.546 4.892 -0.346 1
1 363 . 13 1 1 A 37 37 VAL C C 37 172.485 172.727 -0.242 1
1 364 . 13 1 1 A 37 37 VAL CA C 37 60.987 60.192 0.795 1
1 365 . 13 1 1 A 37 37 VAL CB C 37 35.218 35.008 0.210 1
1 368 . 13 1 1 A 37 37 VAL N N 37 120.432 119.471 0.961 1
1 369 . 13 1 1 A 38 38 LEU H H 38 7.992 9.130 -1.138 1
1 370 . 13 1 1 A 38 38 LEU HA H 38 4.770 5.273 -0.503 1
1 380 . 13 1 1 A 38 38 LEU C C 38 175.193 175.240 -0.047 1
1 381 . 13 1 1 A 38 38 LEU CA C 38 53.146 53.230 -0.084 1
1 382 . 13 1 1 A 38 38 LEU CB C 38 45.359 44.498 0.861 1
1 386 . 13 1 1 A 38 38 LEU N N 38 123.585 129.442 -5.857 1
1 387 . 13 1 1 A 39 39 HIS H H 39 9.442 8.900 0.542 1
1 388 . 13 1 1 A 39 39 HIS HA H 39 5.212 5.032 0.180 1
1 393 . 13 1 1 A 39 39 HIS C C 39 175.351 175.535 -0.184 1
1 394 . 13 1 1 A 39 39 HIS CA C 39 55.211 56.414 -1.203 1
1 395 . 13 1 1 A 39 39 HIS CB C 39 32.669 30.939 1.730 1
1 398 . 13 1 1 A 39 39 HIS N N 39 126.949 126.239 0.710 1
1 399 . 13 1 1 A 40 40 LEU H H 40 8.424 8.408 0.016 1
1 400 . 13 1 1 A 40 40 LEU HA H 40 5.082 5.095 -0.013 1
1 410 . 13 1 1 A 40 40 LEU C C 40 176.050 175.424 0.626 1
1 411 . 13 1 1 A 40 40 LEU CA C 40 53.552 53.469 0.083 1
1 412 . 13 1 1 A 40 40 LEU CB C 40 44.019 45.654 -1.635 1
1 416 . 13 1 1 A 40 40 LEU N N 40 122.395 121.871 0.524 1
1 417 . 13 1 1 A 41 41 GLN H H 41 8.972 9.513 -0.541 1
1 418 . 13 1 1 A 41 41 GLN HA H 41 4.723 5.171 -0.448 1
1 425 . 13 1 1 A 41 41 GLN C C 41 175.453 174.971 0.482 1
1 426 . 13 1 1 A 41 41 GLN CA C 41 54.840 54.274 0.566 1
1 427 . 13 1 1 A 41 41 GLN CB C 41 31.946 31.455 0.491 1
1 429 . 13 1 1 A 41 41 GLN N N 41 121.779 122.676 -0.897 1
1 431 . 13 1 1 A 42 42 GLY H H 42 8.739 8.731 0.008 1
1 432 . 13 1 1 A 42 42 GLY HA2 H 42 4.252 4.398 -0.146 1
1 433 . 13 1 1 A 42 42 GLY HA3 H 42 4.200 4.422 -0.222 1
1 434 . 13 1 1 A 42 42 GLY C C 42 173.938 172.685 1.253 1
1 435 . 13 1 1 A 42 42 GLY CA C 42 44.746 45.250 -0.504 1
1 436 . 13 1 1 A 42 42 GLY N N 42 112.892 112.738 0.154 1
1 437 . 13 1 1 A 43 43 GLY H H 43 8.709 8.441 0.268 1
1 438 . 13 1 1 A 43 43 GLY HA2 H 43 4.110 4.228 -0.118 1
1 439 . 13 1 1 A 43 43 GLY HA3 H 43 3.962 4.230 -0.268 1
1 440 . 13 1 1 A 43 43 GLY C C 43 174.713 172.745 1.968 1
1 441 . 13 1 1 A 43 43 GLY CA C 43 45.346 45.588 -0.242 1
1 442 . 13 1 1 A 43 43 GLY N N 43 108.768 108.548 0.220 1
1 443 . 13 1 1 A 44 44 SER H H 44 8.369 8.750 -0.381 1
1 444 . 13 1 1 A 44 44 SER C C 44 175.312 174.688 0.624 1
1 445 . 13 1 1 A 44 44 SER CA C 44 58.723 57.098 1.625 1
1 446 . 13 1 1 A 44 44 SER CB C 44 63.924 66.314 -2.390 1
1 447 . 13 1 1 A 44 44 SER N N 44 115.582 120.337 -4.755 1
1 448 . 13 1 1 A 45 45 GLN HA H 45 4.346 3.983 0.363 1
1 455 . 13 1 1 A 45 45 GLN C C 45 175.931 177.872 -1.941 1
1 456 . 13 1 1 A 45 45 GLN CA C 45 56.358 59.717 -3.359 1
1 457 . 13 1 1 A 45 45 GLN CB C 45 28.392 28.108 0.284 1
1 460 . 13 1 1 A 46 46 ASP H H 46 8.053 8.014 0.039 1
1 461 . 13 1 1 A 46 46 ASP HA H 46 4.615 4.322 0.293 1
1 464 . 13 1 1 A 46 46 ASP C C 46 176.998 177.032 -0.034 1
1 465 . 13 1 1 A 46 46 ASP CA C 46 54.188 56.716 -2.528 1
1 466 . 13 1 1 A 46 46 ASP CB C 46 41.099 40.775 0.324 1
1 467 . 13 1 1 A 46 46 ASP N N 46 119.460 118.889 0.571 1
1 468 . 13 1 1 A 47 47 GLY H H 47 8.311 8.142 0.169 1
1 469 . 13 1 1 A 47 47 GLY HA2 H 47 3.970 3.886 0.084 1
1 470 . 13 1 1 A 47 47 GLY HA3 H 47 3.970 3.892 0.078 1
1 471 . 13 1 1 A 47 47 GLY C C 47 174.725 174.722 0.003 1
1 472 . 13 1 1 A 47 47 GLY CA C 47 45.892 46.565 -0.673 1
1 473 . 13 1 1 A 47 47 GLY N N 47 109.753 107.172 2.581 1
1 474 . 13 1 1 A 48 48 ARG H H 48 8.300 8.049 0.251 1
1 475 . 13 1 1 A 48 48 ARG HA H 48 4.308 4.524 -0.216 1
1 482 . 13 1 1 A 48 48 ARG C C 48 176.347 174.923 1.424 1
1 483 . 13 1 1 A 48 48 ARG CA C 48 56.782 54.836 1.946 1
1 484 . 13 1 1 A 48 48 ARG CB C 48 30.654 30.314 0.340 1
1 487 . 13 1 1 A 48 48 ARG N N 48 119.526 120.468 -0.942 1
1 488 . 13 1 1 A 49 49 LEU H H 49 7.682 7.459 0.223 1
1 489 . 13 1 1 A 49 49 LEU HA H 49 4.252 4.398 -0.146 1
1 499 . 13 1 1 A 49 49 LEU C C 49 174.707 174.867 -0.160 1
1 500 . 13 1 1 A 49 49 LEU CA C 49 53.040 51.149 1.891 1
1 501 . 13 1 1 A 49 49 LEU CB C 49 41.759 42.867 -1.108 1
1 505 . 13 1 1 A 49 49 LEU N N 49 121.049 123.517 -2.468 1
1 506 . 13 1 1 A 50 50 PRO HA H 50 4.392 4.524 -0.132 1
1 513 . 13 1 1 A 50 50 PRO C C 50 175.058 177.548 -2.490 1
1 514 . 13 1 1 A 50 50 PRO CA C 50 62.323 62.954 -0.631 1
1 515 . 13 1 1 A 50 50 PRO CB C 50 31.353 31.155 0.198 1
1 518 . 13 1 1 A 51 51 ARG H H 51 8.295 8.279 0.016 1
1 519 . 13 1 1 A 51 51 ARG HA H 51 4.511 3.970 0.541 1
1 526 . 13 1 1 A 51 51 ARG C C 51 177.443 176.132 1.311 1
1 527 . 13 1 1 A 51 51 ARG CA C 51 56.728 58.675 -1.947 1
1 528 . 13 1 1 A 51 51 ARG CB C 51 31.194 29.662 1.532 1
1 531 . 13 1 1 A 51 51 ARG N N 51 119.201 123.579 -4.378 1
1 532 . 13 1 1 A 52 52 THR H H 52 7.372 7.968 -0.596 1
1 533 . 13 1 1 A 52 52 THR HA H 52 4.963 5.002 -0.039 1
1 538 . 13 1 1 A 52 52 THR C C 52 173.287 173.028 0.259 1
1 539 . 13 1 1 A 52 52 THR CA C 52 59.411 60.068 -0.657 1
1 540 . 13 1 1 A 52 52 THR CB C 52 71.632 71.777 -0.145 1
1 542 . 13 1 1 A 52 52 THR N N 52 109.591 109.264 0.327 1
1 543 . 13 1 1 A 53 53 ILE H H 53 8.742 8.753 -0.011 1
1 544 . 13 1 1 A 53 53 ILE HA H 53 3.845 4.686 -0.841 1
1 554 . 13 1 1 A 53 53 ILE C C 53 173.374 174.334 -0.960 1
1 555 . 13 1 1 A 53 53 ILE CA C 53 57.735 57.711 0.024 1
1 556 . 13 1 1 A 53 53 ILE CB C 53 41.196 41.148 0.048 1
1 560 . 13 1 1 A 53 53 ILE N N 53 123.236 123.246 -0.010 1
1 561 . 13 1 1 A 54 54 PRO HA H 54 4.541 4.660 -0.119 1
1 568 . 13 1 1 A 54 54 PRO CA C 54 61.292 62.192 -0.900 1
1 569 . 13 1 1 A 54 54 PRO CB C 54 30.119 29.988 0.131 1
1 572 . 13 1 1 A 55 55 LEU H H 55 8.146 8.024 0.122 1
1 573 . 13 1 1 A 55 55 LEU HA H 55 4.262 3.836 0.426 1
1 583 . 13 1 1 A 55 55 LEU CA C 55 58.660 59.306 -0.646 1
1 584 . 13 1 1 A 55 55 LEU CB C 55 39.660 39.732 -0.072 1
1 588 . 13 1 1 A 55 55 LEU N N 55 127.224 123.965 3.259 1
1 589 . 13 1 1 A 56 56 PRO HA H 56 4.630 4.310 0.320 1
1 596 . 13 1 1 A 56 56 PRO C C 56 177.498 177.750 -0.252 1
1 597 . 13 1 1 A 56 56 PRO CA C 56 65.782 66.433 -0.651 1
1 598 . 13 1 1 A 56 56 PRO CB C 56 31.188 30.833 0.355 1
1 601 . 13 1 1 A 57 57 SER H H 57 7.722 7.905 -0.183 1
1 602 . 13 1 1 A 57 57 SER HA H 57 4.723 4.788 -0.065 1
1 605 . 13 1 1 A 57 57 SER C C 57 174.102 173.917 0.185 1
1 606 . 13 1 1 A 57 57 SER CA C 57 58.423 57.700 0.723 1
1 607 . 13 1 1 A 57 57 SER CB C 57 63.924 63.504 0.420 1
1 608 . 13 1 1 A 57 57 SER N N 57 110.169 110.859 -0.690 1
1 609 . 13 1 1 A 58 58 CYS H H 58 8.002 8.073 -0.071 1
1 610 . 13 1 1 A 58 58 CYS HA H 58 5.282 5.119 0.163 1
1 613 . 13 1 1 A 58 58 CYS C C 58 174.525 173.490 1.035 1
1 614 . 13 1 1 A 58 58 CYS CA C 58 59.447 57.328 2.119 1
1 615 . 13 1 1 A 58 58 CYS CB C 58 29.594 29.803 -0.209 1
1 616 . 13 1 1 A 58 58 CYS N N 58 118.902 119.609 -0.707 1
1 617 . 13 1 1 A 59 59 LYS H H 59 9.242 8.851 0.391 1
1 618 . 13 1 1 A 59 59 LYS HA H 59 4.777 4.824 -0.047 1
1 627 . 13 1 1 A 59 59 LYS C C 59 175.947 175.334 0.613 1
1 628 . 13 1 1 A 59 59 LYS CA C 59 55.299 55.228 0.071 1
1 629 . 13 1 1 A 59 59 LYS CB C 59 34.561 33.724 0.837 1
1 633 . 13 1 1 A 59 59 LYS N N 59 122.306 124.628 -2.322 1
1 634 . 13 1 1 A 60 60 LEU H H 60 9.030 9.064 -0.034 1
1 635 . 13 1 1 A 60 60 LEU HA H 60 5.543 4.811 0.732 1
1 645 . 13 1 1 A 60 60 LEU C C 60 176.239 175.905 0.334 1
1 646 . 13 1 1 A 60 60 LEU CA C 60 53.958 54.286 -0.328 1
1 647 . 13 1 1 A 60 60 LEU CB C 60 44.454 41.232 3.222 1
1 651 . 13 1 1 A 60 60 LEU N N 60 129.520 127.097 2.423 1
1 652 . 13 1 1 A 61 61 SER H H 61 9.077 8.450 0.627 1
1 653 . 13 1 1 A 61 61 SER HA H 61 4.832 5.217 -0.385 1
1 656 . 13 1 1 A 61 61 SER C C 61 172.173 172.806 -0.633 1
1 657 . 13 1 1 A 61 61 SER CA C 61 57.558 57.139 0.419 1
1 658 . 13 1 1 A 61 61 SER CB C 61 65.692 65.366 0.326 1
1 659 . 13 1 1 A 61 61 SER N N 61 117.374 118.942 -1.568 1
1 660 . 13 1 1 A 62 62 VAL H H 62 8.784 8.876 -0.092 1
1 661 . 13 1 1 A 62 62 VAL HA H 62 4.927 4.715 0.212 1
1 669 . 13 1 1 A 62 62 VAL C C 62 174.367 174.610 -0.243 1
1 670 . 13 1 1 A 62 62 VAL CA C 62 59.782 59.491 0.291 1
1 671 . 13 1 1 A 62 62 VAL CB C 62 33.518 32.307 1.211 1
1 674 . 13 1 1 A 62 62 VAL N N 62 119.929 126.340 -6.411 1
1 675 . 13 1 1 A 63 63 PRO HA H 63 4.495 4.625 -0.130 1
1 682 . 13 1 1 A 63 63 PRO CA C 63 62.526 62.494 0.032 1
1 683 . 13 1 1 A 63 63 PRO CB C 63 32.504 32.380 0.124 1
1 686 . 13 1 1 A 64 64 ASP H H 64 8.762 8.556 0.206 1
1 687 . 13 1 1 A 64 64 ASP HA H 64 4.780 4.713 0.067 1
1 690 . 13 1 1 A 64 64 ASP CA C 64 53.231 52.912 0.319 1
1 691 . 13 1 1 A 64 64 ASP CB C 64 41.105 39.779 1.326 1
1 692 . 13 1 1 A 64 64 ASP N N 64 123.527 121.210 2.317 1
1 693 . 13 1 1 A 65 65 PRO HA H 65 4.371 4.574 -0.203 1
1 700 . 13 1 1 A 65 65 PRO C C 65 178.309 176.834 1.475 1
1 701 . 13 1 1 A 65 65 PRO CA C 65 64.829 64.100 0.729 1
1 702 . 13 1 1 A 65 65 PRO CB C 65 32.136 31.997 0.139 1
1 705 . 13 1 1 A 66 66 GLU H H 66 8.890 8.315 0.575 1
1 706 . 13 1 1 A 66 66 GLU HA H 66 4.129 4.273 -0.144 1
1 711 . 13 1 1 A 66 66 GLU C C 66 177.222 177.043 0.179 1
1 712 . 13 1 1 A 66 66 GLU CA C 66 57.805 57.685 0.120 1
1 713 . 13 1 1 A 66 66 GLU CB C 66 29.334 29.400 -0.066 1
1 715 . 13 1 1 A 66 66 GLU N N 66 117.225 115.555 1.670 1
1 716 . 13 1 1 A 67 67 GLU H H 67 7.971 7.622 0.349 1
1 717 . 13 1 1 A 67 67 GLU HA H 67 4.136 4.409 -0.273 1
1 722 . 13 1 1 A 67 67 GLU C C 67 176.058 176.430 -0.372 1
1 723 . 13 1 1 A 67 67 GLU CA C 67 57.328 56.521 0.807 1
1 724 . 13 1 1 A 67 67 GLU CB C 67 29.594 30.659 -1.065 1
1 726 . 13 1 1 A 67 67 GLU N N 67 119.516 121.515 -1.999 1
1 727 . 13 1 1 A 68 68 ARG H H 68 8.020 8.524 -0.504 1
1 728 . 13 1 1 A 68 68 ARG HA H 68 4.043 4.617 -0.574 1
1 735 . 13 1 1 A 68 68 ARG C C 68 175.591 175.520 0.071 1
1 736 . 13 1 1 A 68 68 ARG CA C 68 56.075 55.102 0.973 1
1 737 . 13 1 1 A 68 68 ARG CB C 68 28.927 29.966 -1.039 1
1 740 . 13 1 1 A 68 68 ARG N N 68 118.917 119.888 -0.971 1
1 741 . 13 1 1 A 69 69 LEU H H 69 8.188 7.187 1.001 1
1 742 . 13 1 1 A 69 69 LEU HA H 69 4.372 4.454 -0.082 1
1 752 . 13 1 1 A 69 69 LEU C C 69 176.013 177.932 -1.919 1
1 753 . 13 1 1 A 69 69 LEU CA C 69 54.682 54.575 0.107 1
1 754 . 13 1 1 A 69 69 LEU CB C 69 43.238 42.137 1.101 1
1 758 . 13 1 1 A 69 69 LEU N N 69 122.935 121.602 1.333 1
1 759 . 13 1 1 A 70 70 ASP H H 70 8.382 8.771 -0.389 1
1 760 . 13 1 1 A 70 70 ASP HA H 70 4.123 4.524 -0.401 1
1 763 . 13 1 1 A 70 70 ASP C C 70 175.200 176.059 -0.859 1
1 764 . 13 1 1 A 70 70 ASP CA C 70 54.558 56.120 -1.562 1
1 765 . 13 1 1 A 70 70 ASP CB C 70 40.634 40.865 -0.231 1
1 766 . 13 1 1 A 70 70 ASP N N 70 119.400 122.225 -2.825 1
1 767 . 13 1 1 A 71 71 SER H H 71 7.391 7.071 0.320 1
1 768 . 13 1 1 A 71 71 SER HA H 71 4.233 4.282 -0.049 1
1 771 . 13 1 1 A 71 71 SER C C 71 174.294 174.692 -0.398 1
1 772 . 13 1 1 A 71 71 SER CA C 71 58.017 58.072 -0.055 1
1 773 . 13 1 1 A 71 71 SER CB C 71 63.430 64.560 -1.130 1
1 774 . 13 1 1 A 71 71 SER N N 71 114.807 113.626 1.181 1
1 775 . 13 1 1 A 72 72 GLY H H 72 7.981 8.292 -0.311 1
1 776 . 13 1 1 A 72 72 GLY HA2 H 72 3.702 3.581 0.121 1
1 777 . 13 1 1 A 72 72 GLY HA3 H 72 3.610 3.714 -0.104 1
1 778 . 13 1 1 A 72 72 GLY C C 72 172.912 173.870 -0.958 1
1 779 . 13 1 1 A 72 72 GLY CA C 72 44.675 46.225 -1.550 1
1 780 . 13 1 1 A 72 72 GLY N N 72 108.675 111.848 -3.173 1
1 781 . 13 1 1 A 73 73 HIS H H 73 8.462 7.960 0.502 1
1 782 . 13 1 1 A 73 73 HIS HA H 73 4.859 5.212 -0.353 1
1 787 . 13 1 1 A 73 73 HIS C C 73 174.804 174.151 0.653 1
1 788 . 13 1 1 A 73 73 HIS CA C 73 54.700 54.698 0.002 1
1 789 . 13 1 1 A 73 73 HIS CB C 73 28.762 30.362 -1.600 1
1 792 . 13 1 1 A 73 73 HIS N N 73 122.843 117.660 5.183 1
1 793 . 13 1 1 A 74 74 VAL H H 74 7.682 8.802 -1.120 1
1 794 . 13 1 1 A 74 74 VAL HA H 74 5.402 4.723 0.679 1
1 802 . 13 1 1 A 74 74 VAL C C 74 176.121 173.670 2.451 1
1 803 . 13 1 1 A 74 74 VAL CA C 74 61.246 60.345 0.901 1
1 804 . 13 1 1 A 74 74 VAL CB C 74 35.383 35.452 -0.069 1
1 807 . 13 1 1 A 74 74 VAL N N 74 120.824 122.077 -1.253 1
1 808 . 13 1 1 A 75 75 TRP H H 75 9.581 8.566 1.015 1
1 809 . 13 1 1 A 75 75 TRP HA H 75 5.342 5.939 -0.597 1
1 818 . 13 1 1 A 75 75 TRP C C 75 171.123 173.970 -2.847 1
1 819 . 13 1 1 A 75 75 TRP CA C 75 57.046 54.714 2.332 1
1 820 . 13 1 1 A 75 75 TRP CB C 75 32.834 33.290 -0.456 1
1 826 . 13 1 1 A 75 75 TRP N N 75 124.656 126.248 -1.592 1
1 828 . 13 1 1 A 76 76 LYS H H 76 9.557 9.148 0.409 1
1 829 . 13 1 1 A 76 76 LYS HA H 76 5.192 4.759 0.433 1
1 838 . 13 1 1 A 76 76 LYS C C 76 174.801 174.787 0.014 1
1 839 . 13 1 1 A 76 76 LYS CA C 76 54.876 54.833 0.043 1
1 840 . 13 1 1 A 76 76 LYS CB C 76 36.740 34.508 2.232 1
1 844 . 13 1 1 A 76 76 LYS N N 76 121.724 121.131 0.593 1
1 845 . 13 1 1 A 77 77 LEU H H 77 8.957 8.936 0.021 1
1 846 . 13 1 1 A 77 77 LEU HA H 77 5.272 5.042 0.230 1
1 856 . 13 1 1 A 77 77 LEU C C 77 174.927 175.002 -0.075 1
1 857 . 13 1 1 A 77 77 LEU CA C 77 54.046 53.662 0.384 1
1 858 . 13 1 1 A 77 77 LEU CB C 77 46.281 43.807 2.474 1
1 862 . 13 1 1 A 77 77 LEU N N 77 124.578 126.834 -2.256 1
1 863 . 13 1 1 A 78 78 GLN H H 78 8.629 9.061 -0.432 1
1 864 . 13 1 1 A 78 78 GLN HA H 78 5.308 5.450 -0.142 1
1 871 . 13 1 1 A 78 78 GLN C C 78 174.564 174.833 -0.269 1
1 872 . 13 1 1 A 78 78 GLN CA C 78 54.452 54.426 0.026 1
1 873 . 13 1 1 A 78 78 GLN CB C 78 32.833 31.284 1.549 1
1 875 . 13 1 1 A 78 78 GLN N N 78 121.344 125.184 -3.840 1
1 877 . 13 1 1 A 79 79 TRP H H 79 8.601 8.707 -0.106 1
1 878 . 13 1 1 A 79 79 TRP HA H 79 5.003 4.984 0.019 1
1 887 . 13 1 1 A 79 79 TRP C C 79 173.001 174.053 -1.052 1
1 888 . 13 1 1 A 79 79 TRP CA C 79 56.323 56.744 -0.421 1
1 889 . 13 1 1 A 79 79 TRP CB C 79 32.258 31.414 0.844 1
1 895 . 13 1 1 A 79 79 TRP N N 79 128.274 123.605 4.669 1
1 897 . 13 1 1 A 80 80 ALA H H 80 9.181 9.233 -0.052 1
1 898 . 13 1 1 A 80 80 ALA HA H 80 3.933 3.842 0.091 1
1 902 . 13 1 1 A 80 80 ALA C C 80 177.360 176.697 0.663 1
1 903 . 13 1 1 A 80 80 ALA CA C 80 54.222 53.119 1.103 1
1 904 . 13 1 1 A 80 80 ALA CB C 80 17.329 16.976 0.353 1
1 905 . 13 1 1 A 80 80 ALA N N 80 126.348 121.545 4.803 1
1 906 . 13 1 1 A 81 81 LYS H H 81 8.163 8.360 -0.197 1
1 907 . 13 1 1 A 81 81 LYS HA H 81 4.290 3.834 0.456 1
1 916 . 13 1 1 A 81 81 LYS C C 81 176.068 174.873 1.195 1
1 917 . 13 1 1 A 81 81 LYS CA C 81 56.305 57.420 -1.115 1
1 918 . 13 1 1 A 81 81 LYS CB C 81 31.312 31.223 0.089 1
1 922 . 13 1 1 A 81 81 LYS N N 81 120.289 113.561 6.728 1
1 923 . 13 1 1 A 82 82 GLN H H 82 8.423 7.664 0.759 1
1 924 . 13 1 1 A 82 82 GLN HA H 82 4.255 4.752 -0.497 1
1 931 . 13 1 1 A 82 82 GLN C C 82 174.996 174.078 0.918 1
1 932 . 13 1 1 A 82 82 GLN CA C 82 54.805 53.786 1.019 1
1 933 . 13 1 1 A 82 82 GLN CB C 82 30.942 31.779 -0.837 1
1 935 . 13 1 1 A 82 82 GLN N N 82 119.918 118.490 1.428 1
1 937 . 13 1 1 A 83 83 SER H H 83 7.683 8.254 -0.571 1
1 938 . 13 1 1 A 83 83 SER HA H 83 4.991 5.454 -0.463 1
1 941 . 13 1 1 A 83 83 SER C C 83 171.947 172.411 -0.464 1
1 942 . 13 1 1 A 83 83 SER CA C 83 57.629 57.499 0.130 1
1 943 . 13 1 1 A 83 83 SER CB C 83 64.664 65.241 -0.577 1
1 944 . 13 1 1 A 83 83 SER N N 83 115.649 113.087 2.562 1
1 945 . 13 1 1 A 84 84 TRP H H 84 8.665 8.938 -0.273 1
1 946 . 13 1 1 A 84 84 TRP HA H 84 4.714 4.943 -0.229 1
1 955 . 13 1 1 A 84 84 TRP C C 84 174.105 174.712 -0.607 1
1 956 . 13 1 1 A 84 84 TRP CA C 84 56.834 56.202 0.632 1
1 957 . 13 1 1 A 84 84 TRP CB C 84 33.368 33.476 -0.108 1
1 963 . 13 1 1 A 84 84 TRP N N 84 122.334 124.626 -2.292 1
1 965 . 13 1 1 A 85 85 TYR H H 85 9.220 8.970 0.250 1
1 966 . 13 1 1 A 85 85 TYR HA H 85 5.209 5.108 0.101 1
1 973 . 13 1 1 A 85 85 TYR C C 85 175.136 174.981 0.155 1
1 974 . 13 1 1 A 85 85 TYR CA C 85 56.993 57.129 -0.136 1
1 975 . 13 1 1 A 85 85 TYR CB C 85 41.058 40.209 0.849 1
1 980 . 13 1 1 A 85 85 TYR N N 85 117.934 122.122 -4.188 1
1 981 . 13 1 1 A 86 86 LEU H H 86 8.662 9.072 -0.410 1
1 982 . 13 1 1 A 86 86 LEU HA H 86 5.172 4.589 0.583 1
1 992 . 13 1 1 A 86 86 LEU C C 86 174.454 174.331 0.123 1
1 993 . 13 1 1 A 86 86 LEU CA C 86 53.587 53.179 0.408 1
1 994 . 13 1 1 A 86 86 LEU CB C 86 43.773 42.203 1.570 1
1 998 . 13 1 1 A 86 86 LEU N N 86 121.945 124.798 -2.853 1
1 999 . 13 1 1 A 87 87 SER H H 87 8.642 8.520 0.122 1
1 1000 . 13 1 1 A 87 87 SER HA H 87 4.995 5.003 -0.008 1
1 1003 . 13 1 1 A 87 87 SER C C 87 173.683 173.662 0.021 1
1 1004 . 13 1 1 A 87 87 SER CA C 87 55.052 57.333 -2.281 1
1 1005 . 13 1 1 A 87 87 SER CB C 87 65.487 64.353 1.134 1
1 1006 . 13 1 1 A 87 87 SER N N 87 111.719 121.479 -9.760 1
1 1007 . 13 1 1 A 88 88 ALA H H 88 8.472 8.651 -0.179 1
1 1008 . 13 1 1 A 88 88 ALA HA H 88 5.184 4.768 0.416 1
1 1012 . 13 1 1 A 88 88 ALA C C 88 178.012 178.152 -0.140 1
1 1013 . 13 1 1 A 88 88 ALA CA C 88 49.423 50.103 -0.680 1
1 1014 . 13 1 1 A 88 88 ALA CB C 88 22.919 22.393 0.526 1
1 1015 . 13 1 1 A 88 88 ALA N N 88 126.939 128.199 -1.260 1
1 1016 . 13 1 1 A 89 89 SER H H 89 8.182 8.831 -0.649 1
1 1017 . 13 1 1 A 89 89 SER HA H 89 4.274 4.260 0.014 1
1 1020 . 13 1 1 A 89 89 SER C C 89 174.039 173.624 0.415 1
1 1021 . 13 1 1 A 89 89 SER CA C 89 60.135 61.076 -0.941 1
1 1022 . 13 1 1 A 89 89 SER CB C 89 63.571 63.194 0.377 1
1 1023 . 13 1 1 A 89 89 SER N N 89 111.359 116.463 -5.104 1
1 1024 . 13 1 1 A 90 90 SER H H 90 7.392 7.636 -0.244 1
1 1025 . 13 1 1 A 90 90 SER HA H 90 4.383 4.089 0.294 1
1 1028 . 13 1 1 A 90 90 SER C C 90 173.114 173.340 -0.226 1
1 1029 . 13 1 1 A 90 90 SER CA C 90 56.023 56.727 -0.704 1
1 1030 . 13 1 1 A 90 90 SER CB C 90 67.108 64.450 2.658 1
1 1031 . 13 1 1 A 90 90 SER N N 90 113.112 113.327 -0.215 1
1 1032 . 13 1 1 A 91 91 ALA H H 91 8.532 7.859 0.673 1
1 1033 . 13 1 1 A 91 91 ALA HA H 91 3.763 3.955 -0.192 1
1 1037 . 13 1 1 A 91 91 ALA C C 91 179.816 179.476 0.340 1
1 1038 . 13 1 1 A 91 91 ALA CA C 91 54.699 55.381 -0.682 1
1 1039 . 13 1 1 A 91 91 ALA CB C 91 18.111 18.130 -0.019 1
1 1040 . 13 1 1 A 91 91 ALA N N 91 123.767 125.729 -1.962 1
1 1041 . 13 1 1 A 92 92 GLU H H 92 8.766 8.087 0.679 1
1 1042 . 13 1 1 A 92 92 GLU HA H 92 3.942 3.920 0.022 1
1 1047 . 13 1 1 A 92 92 GLU C C 92 179.568 178.904 0.664 1
1 1048 . 13 1 1 A 92 92 GLU CA C 92 60.206 59.475 0.731 1
1 1049 . 13 1 1 A 92 92 GLU CB C 92 28.721 29.157 -0.436 1
1 1051 . 13 1 1 A 92 92 GLU N N 92 118.712 118.349 0.363 1
1 1052 . 13 1 1 A 93 93 LEU H H 93 7.852 8.013 -0.161 1
1 1053 . 13 1 1 A 93 93 LEU HA H 93 4.274 4.157 0.117 1
1 1063 . 13 1 1 A 93 93 LEU C C 93 178.805 178.505 0.300 1
1 1064 . 13 1 1 A 93 93 LEU CA C 93 57.382 56.942 0.440 1
1 1065 . 13 1 1 A 93 93 LEU CB C 93 43.115 41.676 1.439 1
1 1069 . 13 1 1 A 93 93 LEU N N 93 121.212 121.413 -0.201 1
1 1070 . 13 1 1 A 94 94 GLN H H 94 8.080 8.659 -0.579 1
1 1071 . 13 1 1 A 94 94 GLN HA H 94 3.843 4.209 -0.366 1
1 1078 . 13 1 1 A 94 94 GLN C C 94 176.960 177.956 -0.996 1
1 1079 . 13 1 1 A 94 94 GLN CA C 94 59.694 59.134 0.560 1
1 1080 . 13 1 1 A 94 94 GLN CB C 94 28.063 28.613 -0.550 1
1 1082 . 13 1 1 A 94 94 GLN N N 94 120.439 119.268 1.171 1
1 1084 . 13 1 1 A 95 95 GLN H H 95 8.293 8.096 0.197 1
1 1085 . 13 1 1 A 95 95 GLN HA H 95 3.779 4.088 -0.309 1
1 1092 . 13 1 1 A 95 95 GLN C C 95 177.938 178.171 -0.233 1
1 1093 . 13 1 1 A 95 95 GLN CA C 95 59.005 58.801 0.204 1
1 1094 . 13 1 1 A 95 95 GLN CB C 95 27.610 28.374 -0.764 1
1 1096 . 13 1 1 A 95 95 GLN N N 95 117.408 118.934 -1.526 1
1 1098 . 13 1 1 A 96 96 GLN H H 96 7.731 7.821 -0.090 1
1 1099 . 13 1 1 A 96 96 GLN HA H 96 3.966 3.974 -0.008 1
1 1106 . 13 1 1 A 96 96 GLN C C 96 179.685 177.564 2.121 1
1 1107 . 13 1 1 A 96 96 GLN CA C 96 58.987 57.993 0.994 1
1 1108 . 13 1 1 A 96 96 GLN CB C 96 28.433 28.087 0.346 1
1 1110 . 13 1 1 A 96 96 GLN N N 96 119.621 117.053 2.568 1
1 1112 . 13 1 1 A 97 97 TRP H H 97 8.410 7.212 1.198 1
1 1113 . 13 1 1 A 97 97 TRP HA H 97 3.792 4.410 -0.618 1
1 1122 . 13 1 1 A 97 97 TRP C C 97 178.515 178.745 -0.230 1
1 1123 . 13 1 1 A 97 97 TRP CA C 97 61.670 59.495 2.175 1
1 1124 . 13 1 1 A 97 97 TRP CB C 97 29.972 29.981 -0.009 1
1 1130 . 13 1 1 A 97 97 TRP N N 97 121.370 119.975 1.395 1
1 1132 . 13 1 1 A 98 98 LEU H H 98 8.505 8.262 0.243 1
1 1133 . 13 1 1 A 98 98 LEU HA H 98 3.485 3.518 -0.033 1
1 1143 . 13 1 1 A 98 98 LEU C C 98 180.194 178.958 1.236 1
1 1144 . 13 1 1 A 98 98 LEU CA C 98 58.706 58.035 0.671 1
1 1145 . 13 1 1 A 98 98 LEU CB C 98 41.141 41.584 -0.443 1
1 1149 . 13 1 1 A 98 98 LEU N N 98 119.038 119.971 -0.933 1
1 1150 . 13 1 1 A 99 99 GLU H H 99 8.241 8.402 -0.161 1
1 1151 . 13 1 1 A 99 99 GLU HA H 99 3.927 3.965 -0.038 1
1 1156 . 13 1 1 A 99 99 GLU C C 99 179.082 178.947 0.135 1
1 1157 . 13 1 1 A 99 99 GLU CA C 99 59.587 59.331 0.256 1
1 1158 . 13 1 1 A 99 99 GLU CB C 99 29.296 29.359 -0.063 1
1 1160 . 13 1 1 A 99 99 GLU N N 99 119.886 117.216 2.670 1
1 1161 . 13 1 1 A 100 100 THR H H 100 7.780 7.614 0.166 1
1 1162 . 13 1 1 A 100 100 THR HA H 100 3.862 3.917 -0.055 1
1 1167 . 13 1 1 A 100 100 THR C C 100 176.899 176.358 0.541 1
1 1168 . 13 1 1 A 100 100 THR CA C 100 67.088 67.083 0.005 1
1 1169 . 13 1 1 A 100 100 THR CB C 100 68.178 68.182 -0.004 1
1 1171 . 13 1 1 A 100 100 THR N N 100 116.913 115.192 1.721 1
1 1172 . 13 1 1 A 101 101 LEU H H 101 9.159 8.319 0.840 1
1 1173 . 13 1 1 A 101 101 LEU HA H 101 3.993 3.846 0.147 1
1 1183 . 13 1 1 A 101 101 LEU C C 101 178.416 178.812 -0.396 1
1 1184 . 13 1 1 A 101 101 LEU CA C 101 58.017 58.062 -0.045 1
1 1185 . 13 1 1 A 101 101 LEU CB C 101 42.004 41.987 0.017 1
1 1189 . 13 1 1 A 101 101 LEU N N 101 121.065 121.064 0.001 1
1 1190 . 13 1 1 A 102 102 SER H H 102 7.978 8.236 -0.258 1
1 1191 . 13 1 1 A 102 102 SER HA H 102 4.094 4.062 0.032 1
1 1194 . 13 1 1 A 102 102 SER C C 102 176.370 177.198 -0.828 1
1 1195 . 13 1 1 A 102 102 SER CA C 102 61.794 61.655 0.139 1
1 1196 . 13 1 1 A 102 102 SER CB C 102 62.855 63.085 -0.230 1
1 1197 . 13 1 1 A 102 102 SER N N 102 112.923 113.361 -0.438 1
1 1198 . 13 1 1 A 103 103 THR H H 103 7.683 8.491 -0.808 1
1 1199 . 13 1 1 A 103 103 THR HA H 103 4.020 3.335 0.685 1
1 1204 . 13 1 1 A 103 103 THR C C 103 176.061 176.842 -0.781 1
1 1205 . 13 1 1 A 103 103 THR CA C 103 65.412 66.127 -0.715 1
1 1206 . 13 1 1 A 103 103 THR CB C 103 68.918 68.404 0.514 1
1 1208 . 13 1 1 A 103 103 THR N N 103 116.420 115.700 0.720 1
1 1209 . 13 1 1 A 104 104 ALA H H 104 7.760 7.987 -0.227 1
1 1210 . 13 1 1 A 104 104 ALA HA H 104 4.272 4.174 0.098 1
1 1214 . 13 1 1 A 104 104 ALA C C 104 178.160 178.157 0.003 1
1 1215 . 13 1 1 A 104 104 ALA CA C 104 54.011 53.610 0.401 1
1 1216 . 13 1 1 A 104 104 ALA CB C 104 20.155 18.375 1.780 1
1 1217 . 13 1 1 A 104 104 ALA N N 104 123.981 122.959 1.022 1
1 1218 . 13 1 1 A 105 105 ALA H H 105 7.824 8.345 -0.521 1
1 1219 . 13 1 1 A 105 105 ALA HA H 105 4.092 4.516 -0.424 1
1 1223 . 13 1 1 A 105 105 ALA C C 105 177.657 176.637 1.020 1
1 1224 . 13 1 1 A 105 105 ALA CA C 105 53.058 51.381 1.677 1
1 1225 . 13 1 1 A 105 105 ALA CB C 105 19.067 18.863 0.204 1
1 1226 . 13 1 1 A 105 105 ALA N N 105 118.227 120.146 -1.919 1
1 1227 . 13 1 1 A 106 106 HIS H H 106 7.675 7.570 0.105 1
1 1228 . 13 1 1 A 106 106 HIS HA H 106 4.703 4.751 -0.048 1
1 1233 . 13 1 1 A 106 106 HIS C C 106 175.296 174.392 0.904 1
1 1234 . 13 1 1 A 106 106 HIS CA C 106 56.287 54.494 1.793 1
1 1235 . 13 1 1 A 106 106 HIS CB C 106 30.407 27.803 2.604 1
1 1238 . 13 1 1 A 106 106 HIS N N 106 115.860 118.701 -2.841 1
1 1239 . 13 1 1 A 107 107 SER H H 107 8.015 8.481 -0.466 1
1 1240 . 13 1 1 A 107 107 SER HA H 107 4.560 4.300 0.260 1
1 1243 . 13 1 1 A 107 107 SER C C 107 174.345 174.488 -0.143 1
1 1244 . 13 1 1 A 107 107 SER CA C 107 58.546 59.793 -1.247 1
1 1245 . 13 1 1 A 107 107 SER CB C 107 64.130 63.572 0.558 1
1 1246 . 13 1 1 A 107 107 SER N N 107 116.310 120.205 -3.895 1
1 1247 . 13 1 1 A 108 108 GLY H H 108 8.282 8.227 0.055 1
1 1248 . 13 1 1 A 108 108 GLY HA2 H 108 4.213 4.170 0.043 1
1 1249 . 13 1 1 A 108 108 GLY HA3 H 108 4.042 4.177 -0.135 1
1 1250 . 13 1 1 A 108 108 GLY C C 108 171.750 174.170 -2.420 1
1 1251 . 13 1 1 A 108 108 GLY CA C 108 44.640 46.219 -1.579 1
1 1252 . 13 1 1 A 108 108 GLY N N 108 110.511 110.962 -0.451 1
1 1253 . 13 1 1 A 109 109 PRO HA H 109 4.497 4.307 0.190 1
1 1260 . 13 1 1 A 109 109 PRO C C 109 177.419 177.041 0.378 1
1 1261 . 13 1 1 A 109 109 PRO CA C 109 63.241 65.706 -2.465 1
1 1262 . 13 1 1 A 109 109 PRO CB C 109 32.264 31.757 0.507 1
1 1265 . 13 1 1 A 110 110 SER H H 110 8.558 8.081 0.477 1
1 1266 . 13 1 1 A 110 110 SER C C 110 174.715 173.076 1.639 1
1 1267 . 13 1 1 A 110 110 SER CA C 110 58.335 59.039 -0.704 1
1 1268 . 13 1 1 A 110 110 SER CB C 110 63.759 61.250 2.509 1
1 1269 . 13 1 1 A 110 110 SER N N 110 116.470 111.311 5.159 1
1 1270 . 13 1 1 A 111 111 SER H H 111 8.357 7.591 0.766 1
1 1271 . 13 1 1 A 111 111 SER C C 111 173.931 174.177 -0.246 1
1 1272 . 13 1 1 A 111 111 SER CA C 111 58.335 56.627 1.708 1
1 1 . 14 1 1 A 8 8 SER HA H 8 5.012 5.323 -0.311 1
1 4 . 14 1 1 A 8 8 SER CA C 8 58.166 57.622 0.544 1
1 5 . 14 1 1 A 8 8 SER CB C 8 64.582 65.635 -1.053 1
1 6 . 14 1 1 A 9 9 LEU H H 9 9.253 8.306 0.947 1
1 7 . 14 1 1 A 9 9 LEU HA H 9 4.091 4.005 0.086 1
1 17 . 14 1 1 A 9 9 LEU C C 9 176.799 176.905 -0.106 1
1 18 . 14 1 1 A 9 9 LEU CA C 9 57.523 57.403 0.120 1
1 19 . 14 1 1 A 9 9 LEU CB C 9 42.703 42.193 0.510 1
1 23 . 14 1 1 A 9 9 LEU N N 9 127.432 125.386 2.046 1
1 24 . 14 1 1 A 10 10 LEU H H 10 6.827 7.426 -0.599 1
1 25 . 14 1 1 A 10 10 LEU HA H 10 4.201 4.447 -0.246 1
1 35 . 14 1 1 A 10 10 LEU C C 10 173.779 174.185 -0.406 1
1 36 . 14 1 1 A 10 10 LEU CA C 10 54.399 54.282 0.117 1
1 37 . 14 1 1 A 10 10 LEU CB C 10 45.006 44.774 0.232 1
1 41 . 14 1 1 A 10 10 LEU N N 10 116.105 116.867 -0.762 1
1 42 . 14 1 1 A 11 11 CYS H H 11 7.989 8.918 -0.929 1
1 43 . 14 1 1 A 11 11 CYS HA H 11 5.743 5.658 0.085 1
1 46 . 14 1 1 A 11 11 CYS C C 11 172.654 173.295 -0.641 1
1 47 . 14 1 1 A 11 11 CYS CA C 11 55.546 57.036 -1.490 1
1 48 . 14 1 1 A 11 11 CYS CB C 11 31.333 31.732 -0.399 1
1 49 . 14 1 1 A 11 11 CYS N N 11 117.939 123.659 -5.720 1
1 50 . 14 1 1 A 12 12 GLY H H 12 8.479 7.355 1.124 1
1 51 . 14 1 1 A 12 12 GLY HA2 H 12 4.419 3.683 0.736 1
1 52 . 14 1 1 A 12 12 GLY HA3 H 12 2.832 4.053 -1.221 1
1 53 . 14 1 1 A 12 12 GLY C C 12 168.720 171.339 -2.619 1
1 54 . 14 1 1 A 12 12 GLY CA C 12 44.710 44.813 -0.103 1
1 55 . 14 1 1 A 12 12 GLY N N 12 109.046 106.705 2.341 1
1 56 . 14 1 1 A 13 13 PRO HA H 13 5.163 4.473 0.690 1
1 63 . 14 1 1 A 13 13 PRO C C 13 177.501 175.142 2.359 1
1 64 . 14 1 1 A 13 13 PRO CA C 13 62.182 63.168 -0.986 1
1 65 . 14 1 1 A 13 13 PRO CB C 13 32.587 32.218 0.369 1
1 68 . 14 1 1 A 14 14 LEU H H 14 8.630 8.832 -0.202 1
1 69 . 14 1 1 A 14 14 LEU HA H 14 4.764 4.929 -0.165 1
1 79 . 14 1 1 A 14 14 LEU C C 14 175.698 174.301 1.397 1
1 80 . 14 1 1 A 14 14 LEU CA C 14 53.975 52.883 1.092 1
1 81 . 14 1 1 A 14 14 LEU CB C 14 48.936 45.069 3.867 1
1 85 . 14 1 1 A 14 14 LEU N N 14 122.246 123.763 -1.517 1
1 86 . 14 1 1 A 15 15 ARG H H 15 8.498 8.272 0.226 1
1 87 . 14 1 1 A 15 15 ARG HA H 15 5.421 5.327 0.094 1
1 95 . 14 1 1 A 15 15 ARG C C 15 174.664 174.930 -0.266 1
1 96 . 14 1 1 A 15 15 ARG CA C 15 54.858 54.136 0.722 1
1 97 . 14 1 1 A 15 15 ARG CB C 15 34.085 33.874 0.211 1
1 100 . 14 1 1 A 15 15 ARG N N 15 118.593 122.137 -3.544 1
1 102 . 14 1 1 A 16 16 LEU H H 16 9.244 8.469 0.775 1
1 103 . 14 1 1 A 16 16 LEU HA H 16 5.662 5.353 0.309 1
1 113 . 14 1 1 A 16 16 LEU C C 16 176.872 174.577 2.295 1
1 114 . 14 1 1 A 16 16 LEU CA C 16 53.746 54.179 -0.433 1
1 115 . 14 1 1 A 16 16 LEU CB C 16 47.803 46.122 1.681 1
1 119 . 14 1 1 A 16 16 LEU N N 16 123.893 123.430 0.463 1
1 120 . 14 1 1 A 17 17 SER H H 17 8.982 8.746 0.236 1
1 121 . 14 1 1 A 17 17 SER HA H 17 4.484 5.243 -0.759 1
1 124 . 14 1 1 A 17 17 SER C C 17 173.790 172.657 1.133 1
1 125 . 14 1 1 A 17 17 SER CA C 17 57.081 56.977 0.104 1
1 126 . 14 1 1 A 17 17 SER CB C 17 64.487 65.572 -1.085 1
1 127 . 14 1 1 A 17 17 SER N N 17 117.455 118.412 -0.957 1
1 128 . 14 1 1 A 18 18 GLU H H 18 9.102 8.723 0.379 1
1 129 . 14 1 1 A 18 18 GLU HA H 18 3.832 4.532 -0.700 1
1 134 . 14 1 1 A 18 18 GLU C C 18 176.185 176.432 -0.247 1
1 135 . 14 1 1 A 18 18 GLU CA C 18 58.793 56.115 2.678 1
1 136 . 14 1 1 A 18 18 GLU CB C 18 30.037 30.494 -0.457 1
1 138 . 14 1 1 A 18 18 GLU N N 18 129.354 122.699 6.655 1
1 139 . 14 1 1 A 19 19 SER H H 19 7.792 9.232 -1.440 1
1 140 . 14 1 1 A 19 19 SER HA H 19 4.650 4.334 0.316 1
1 143 . 14 1 1 A 19 19 SER C C 19 175.321 174.271 1.050 1
1 144 . 14 1 1 A 19 19 SER CA C 19 57.699 59.496 -1.797 1
1 145 . 14 1 1 A 19 19 SER CB C 19 65.816 61.871 3.945 1
1 146 . 14 1 1 A 19 19 SER N N 19 108.812 121.319 -12.507 1
1 147 . 14 1 1 A 20 20 GLY H H 20 8.376 8.679 -0.303 1
1 148 . 14 1 1 A 20 20 GLY HA2 H 20 3.931 3.484 0.447 1
1 149 . 14 1 1 A 20 20 GLY HA3 H 20 2.690 3.727 -1.037 1
1 150 . 14 1 1 A 20 20 GLY C C 20 172.644 174.298 -1.654 1
1 151 . 14 1 1 A 20 20 GLY CA C 20 44.746 46.739 -1.993 1
1 152 . 14 1 1 A 20 20 GLY N N 20 111.458 105.781 5.677 1
1 153 . 14 1 1 A 21 21 GLU H H 21 7.522 7.685 -0.163 1
1 154 . 14 1 1 A 21 21 GLU HA H 21 4.274 4.583 -0.309 1
1 159 . 14 1 1 A 21 21 GLU C C 21 176.266 175.661 0.605 1
1 160 . 14 1 1 A 21 21 GLU CA C 21 58.069 57.644 0.425 1
1 161 . 14 1 1 A 21 21 GLU CB C 21 31.024 32.585 -1.561 1
1 163 . 14 1 1 A 21 21 GLU N N 21 119.071 118.961 0.110 1
1 164 . 14 1 1 A 22 22 THR H H 22 7.436 8.030 -0.594 1
1 165 . 14 1 1 A 22 22 THR HA H 22 4.618 4.880 -0.262 1
1 170 . 14 1 1 A 22 22 THR C C 22 173.662 172.735 0.927 1
1 171 . 14 1 1 A 22 22 THR CA C 22 60.682 60.378 0.304 1
1 172 . 14 1 1 A 22 22 THR CB C 22 70.504 71.504 -1.000 1
1 174 . 14 1 1 A 22 22 THR N N 22 111.176 108.793 2.383 1
1 175 . 14 1 1 A 23 23 TRP H H 23 9.121 9.215 -0.094 1
1 176 . 14 1 1 A 23 23 TRP HA H 23 4.983 5.772 -0.789 1
1 185 . 14 1 1 A 23 23 TRP C C 23 175.888 175.943 -0.055 1
1 186 . 14 1 1 A 23 23 TRP CA C 23 56.570 56.004 0.566 1
1 187 . 14 1 1 A 23 23 TRP CB C 23 32.176 31.059 1.117 1
1 193 . 14 1 1 A 23 23 TRP N N 23 127.096 125.451 1.645 1
1 195 . 14 1 1 A 24 24 SER H H 24 9.273 8.871 0.402 1
1 196 . 14 1 1 A 24 24 SER HA H 24 4.948 5.268 -0.320 1
1 199 . 14 1 1 A 24 24 SER C C 24 173.268 172.377 0.891 1
1 200 . 14 1 1 A 24 24 SER CA C 24 57.346 57.253 0.093 1
1 201 . 14 1 1 A 24 24 SER CB C 24 65.445 66.671 -1.226 1
1 202 . 14 1 1 A 24 24 SER N N 24 118.031 117.555 0.476 1
1 203 . 14 1 1 A 25 25 GLU H H 25 8.990 8.514 0.476 1
1 204 . 14 1 1 A 25 25 GLU HA H 25 4.737 4.973 -0.236 1
1 209 . 14 1 1 A 25 25 GLU C C 25 176.246 175.698 0.548 1
1 210 . 14 1 1 A 25 25 GLU CA C 25 57.170 55.486 1.684 1
1 211 . 14 1 1 A 25 25 GLU CB C 25 30.202 30.835 -0.633 1
1 213 . 14 1 1 A 25 25 GLU N N 25 125.088 120.853 4.235 1
1 214 . 14 1 1 A 26 26 VAL H H 26 9.012 9.106 -0.094 1
1 215 . 14 1 1 A 26 26 VAL HA H 26 5.002 5.058 -0.056 1
1 223 . 14 1 1 A 26 26 VAL C C 26 174.304 173.613 0.691 1
1 224 . 14 1 1 A 26 26 VAL CA C 26 58.917 59.314 -0.397 1
1 225 . 14 1 1 A 26 26 VAL CB C 26 35.753 35.843 -0.090 1
1 228 . 14 1 1 A 26 26 VAL N N 26 118.076 119.134 -1.058 1
1 229 . 14 1 1 A 27 27 TRP H H 27 8.880 8.955 -0.075 1
1 230 . 14 1 1 A 27 27 TRP HA H 27 4.814 5.404 -0.590 1
1 239 . 14 1 1 A 27 27 TRP C C 27 174.255 174.656 -0.401 1
1 240 . 14 1 1 A 27 27 TRP CA C 27 57.117 55.161 1.956 1
1 241 . 14 1 1 A 27 27 TRP CB C 27 30.325 32.232 -1.907 1
1 247 . 14 1 1 A 27 27 TRP N N 27 122.873 125.961 -3.088 1
1 249 . 14 1 1 A 28 28 ALA H H 28 8.482 8.240 0.242 1
1 250 . 14 1 1 A 28 28 ALA HA H 28 5.329 5.360 -0.031 1
1 254 . 14 1 1 A 28 28 ALA C C 28 175.519 175.918 -0.399 1
1 255 . 14 1 1 A 28 28 ALA CA C 28 49.670 50.263 -0.593 1
1 256 . 14 1 1 A 28 28 ALA CB C 28 23.827 21.890 1.937 1
1 257 . 14 1 1 A 28 28 ALA N N 28 133.586 129.673 3.913 1
1 258 . 14 1 1 A 29 29 ALA H H 29 8.948 8.692 0.256 1
1 259 . 14 1 1 A 29 29 ALA HA H 29 5.160 5.396 -0.236 1
1 263 . 14 1 1 A 29 29 ALA C C 29 175.956 176.075 -0.119 1
1 264 . 14 1 1 A 29 29 ALA CA C 29 52.210 51.864 0.346 1
1 265 . 14 1 1 A 29 29 ALA CB C 29 23.697 23.530 0.167 1
1 266 . 14 1 1 A 29 29 ALA N N 29 119.901 123.035 -3.134 1
1 267 . 14 1 1 A 30 30 ILE H H 30 8.245 8.450 -0.205 1
1 268 . 14 1 1 A 30 30 ILE HA H 30 5.313 4.662 0.651 1
1 278 . 14 1 1 A 30 30 ILE C C 30 174.004 174.517 -0.513 1
1 279 . 14 1 1 A 30 30 ILE CA C 30 57.699 57.281 0.418 1
1 280 . 14 1 1 A 30 30 ILE CB C 30 40.565 39.738 0.827 1
1 284 . 14 1 1 A 30 30 ILE N N 30 122.332 120.468 1.864 1
1 285 . 14 1 1 A 31 31 PRO HA H 31 4.655 4.664 -0.009 1
1 292 . 14 1 1 A 31 31 PRO C C 31 177.566 177.972 -0.406 1
1 293 . 14 1 1 A 31 31 PRO CA C 31 62.464 62.390 0.074 1
1 294 . 14 1 1 A 31 31 PRO CB C 31 31.929 31.432 0.497 1
1 297 . 14 1 1 A 32 32 MET H H 32 8.572 8.611 -0.039 1
1 298 . 14 1 1 A 32 32 MET HA H 32 3.997 4.086 -0.089 1
1 306 . 14 1 1 A 32 32 MET C C 32 177.770 178.047 -0.277 1
1 307 . 14 1 1 A 32 32 MET CA C 32 58.158 58.760 -0.602 1
1 308 . 14 1 1 A 32 32 MET CB C 32 31.929 32.190 -0.261 1
1 311 . 14 1 1 A 32 32 MET N N 32 121.580 124.147 -2.567 1
1 312 . 14 1 1 A 33 33 SER H H 33 8.163 8.422 -0.259 1
1 313 . 14 1 1 A 33 33 SER HA H 33 4.213 4.254 -0.041 1
1 316 . 14 1 1 A 33 33 SER C C 33 174.424 174.391 0.033 1
1 317 . 14 1 1 A 33 33 SER CA C 33 58.864 61.507 -2.643 1
1 318 . 14 1 1 A 33 33 SER CB C 33 63.225 62.883 0.342 1
1 319 . 14 1 1 A 33 33 SER N N 33 109.218 114.208 -4.990 1
1 320 . 14 1 1 A 34 34 ASP H H 34 7.179 8.235 -1.056 1
1 321 . 14 1 1 A 34 34 ASP HA H 34 4.912 5.098 -0.186 1
1 324 . 14 1 1 A 34 34 ASP C C 34 171.847 174.223 -2.376 1
1 325 . 14 1 1 A 34 34 ASP CA C 34 52.581 51.215 1.366 1
1 326 . 14 1 1 A 34 34 ASP CB C 34 41.223 41.435 -0.212 1
1 327 . 14 1 1 A 34 34 ASP N N 34 120.601 120.093 0.508 1
1 328 . 14 1 1 A 35 35 PRO HA H 35 4.510 4.600 -0.090 1
1 335 . 14 1 1 A 35 35 PRO C C 35 175.635 176.140 -0.505 1
1 336 . 14 1 1 A 35 35 PRO CA C 35 64.511 64.001 0.510 1
1 337 . 14 1 1 A 35 35 PRO CB C 35 31.729 32.224 -0.495 1
1 340 . 14 1 1 A 36 36 GLN H H 36 7.982 8.346 -0.364 1
1 341 . 14 1 1 A 36 36 GLN HA H 36 4.472 4.471 0.001 1
1 348 . 14 1 1 A 36 36 GLN C C 36 174.646 174.853 -0.207 1
1 349 . 14 1 1 A 36 36 GLN CA C 36 55.193 55.892 -0.699 1
1 350 . 14 1 1 A 36 36 GLN CB C 36 29.420 29.648 -0.228 1
1 352 . 14 1 1 A 36 36 GLN N N 36 114.393 117.888 -3.495 1
1 354 . 14 1 1 A 37 37 VAL H H 37 7.878 7.658 0.220 1
1 355 . 14 1 1 A 37 37 VAL HA H 37 4.546 4.769 -0.223 1
1 363 . 14 1 1 A 37 37 VAL C C 37 172.485 172.740 -0.255 1
1 364 . 14 1 1 A 37 37 VAL CA C 37 60.987 60.376 0.611 1
1 365 . 14 1 1 A 37 37 VAL CB C 37 35.218 34.801 0.417 1
1 368 . 14 1 1 A 37 37 VAL N N 37 120.432 119.694 0.738 1
1 369 . 14 1 1 A 38 38 LEU H H 38 7.992 8.878 -0.886 1
1 370 . 14 1 1 A 38 38 LEU HA H 38 4.770 5.284 -0.514 1
1 380 . 14 1 1 A 38 38 LEU C C 38 175.193 175.429 -0.236 1
1 381 . 14 1 1 A 38 38 LEU CA C 38 53.146 53.176 -0.030 1
1 382 . 14 1 1 A 38 38 LEU CB C 38 45.359 44.501 0.858 1
1 386 . 14 1 1 A 38 38 LEU N N 38 123.585 129.680 -6.095 1
1 387 . 14 1 1 A 39 39 HIS H H 39 9.442 8.979 0.463 1
1 388 . 14 1 1 A 39 39 HIS HA H 39 5.212 4.867 0.345 1
1 393 . 14 1 1 A 39 39 HIS C C 39 175.351 175.604 -0.253 1
1 394 . 14 1 1 A 39 39 HIS CA C 39 55.211 57.068 -1.857 1
1 395 . 14 1 1 A 39 39 HIS CB C 39 32.669 30.891 1.778 1
1 398 . 14 1 1 A 39 39 HIS N N 39 126.949 126.186 0.763 1
1 399 . 14 1 1 A 40 40 LEU H H 40 8.424 8.397 0.027 1
1 400 . 14 1 1 A 40 40 LEU HA H 40 5.082 5.085 -0.003 1
1 410 . 14 1 1 A 40 40 LEU C C 40 176.050 175.331 0.719 1
1 411 . 14 1 1 A 40 40 LEU CA C 40 53.552 53.896 -0.344 1
1 412 . 14 1 1 A 40 40 LEU CB C 40 44.019 45.652 -1.633 1
1 416 . 14 1 1 A 40 40 LEU N N 40 122.395 121.658 0.737 1
1 417 . 14 1 1 A 41 41 GLN H H 41 8.972 9.024 -0.052 1
1 418 . 14 1 1 A 41 41 GLN HA H 41 4.723 5.237 -0.514 1
1 425 . 14 1 1 A 41 41 GLN C C 41 175.453 175.784 -0.331 1
1 426 . 14 1 1 A 41 41 GLN CA C 41 54.840 54.357 0.483 1
1 427 . 14 1 1 A 41 41 GLN CB C 41 31.946 30.838 1.108 1
1 429 . 14 1 1 A 41 41 GLN N N 41 121.779 123.268 -1.489 1
1 431 . 14 1 1 A 42 42 GLY H H 42 8.739 8.496 0.243 1
1 432 . 14 1 1 A 42 42 GLY HA2 H 42 4.252 4.059 0.193 1
1 433 . 14 1 1 A 42 42 GLY HA3 H 42 4.200 4.078 0.122 1
1 434 . 14 1 1 A 42 42 GLY C C 42 173.938 173.734 0.204 1
1 435 . 14 1 1 A 42 42 GLY CA C 42 44.746 45.559 -0.813 1
1 436 . 14 1 1 A 42 42 GLY N N 42 112.892 110.376 2.516 1
1 437 . 14 1 1 A 43 43 GLY H H 43 8.709 7.336 1.373 1
1 438 . 14 1 1 A 43 43 GLY HA2 H 43 4.110 4.039 0.071 1
1 439 . 14 1 1 A 43 43 GLY HA3 H 43 3.962 4.040 -0.078 1
1 440 . 14 1 1 A 43 43 GLY C C 43 174.713 174.289 0.424 1
1 441 . 14 1 1 A 43 43 GLY CA C 43 45.346 45.527 -0.181 1
1 442 . 14 1 1 A 43 43 GLY N N 43 108.768 106.657 2.111 1
1 443 . 14 1 1 A 44 44 SER H H 44 8.369 9.008 -0.639 1
1 444 . 14 1 1 A 44 44 SER C C 44 175.312 175.839 -0.527 1
1 445 . 14 1 1 A 44 44 SER CA C 44 58.723 60.863 -2.140 1
1 446 . 14 1 1 A 44 44 SER CB C 44 63.924 63.825 0.099 1
1 447 . 14 1 1 A 44 44 SER N N 44 115.582 117.784 -2.202 1
1 448 . 14 1 1 A 45 45 GLN HA H 45 4.346 4.125 0.221 1
1 455 . 14 1 1 A 45 45 GLN C C 45 175.931 177.403 -1.472 1
1 456 . 14 1 1 A 45 45 GLN CA C 45 56.358 58.838 -2.480 1
1 457 . 14 1 1 A 45 45 GLN CB C 45 28.392 28.625 -0.233 1
1 460 . 14 1 1 A 46 46 ASP H H 46 8.053 8.007 0.046 1
1 461 . 14 1 1 A 46 46 ASP HA H 46 4.615 4.393 0.222 1
1 464 . 14 1 1 A 46 46 ASP C C 46 176.998 175.866 1.132 1
1 465 . 14 1 1 A 46 46 ASP CA C 46 54.188 57.085 -2.897 1
1 466 . 14 1 1 A 46 46 ASP CB C 46 41.099 41.013 0.086 1
1 467 . 14 1 1 A 46 46 ASP N N 46 119.460 119.538 -0.078 1
1 468 . 14 1 1 A 47 47 GLY H H 47 8.311 7.782 0.529 1
1 469 . 14 1 1 A 47 47 GLY HA2 H 47 3.970 4.177 -0.207 1
1 470 . 14 1 1 A 47 47 GLY HA3 H 47 3.970 4.178 -0.208 1
1 471 . 14 1 1 A 47 47 GLY C C 47 174.725 173.124 1.601 1
1 472 . 14 1 1 A 47 47 GLY CA C 47 45.892 44.744 1.148 1
1 473 . 14 1 1 A 47 47 GLY N N 47 109.753 105.291 4.462 1
1 474 . 14 1 1 A 48 48 ARG H H 48 8.300 8.609 -0.309 1
1 475 . 14 1 1 A 48 48 ARG HA H 48 4.308 4.586 -0.278 1
1 482 . 14 1 1 A 48 48 ARG C C 48 176.347 175.528 0.819 1
1 483 . 14 1 1 A 48 48 ARG CA C 48 56.782 55.441 1.341 1
1 484 . 14 1 1 A 48 48 ARG CB C 48 30.654 29.721 0.933 1
1 487 . 14 1 1 A 48 48 ARG N N 48 119.526 119.468 0.058 1
1 488 . 14 1 1 A 49 49 LEU H H 49 7.682 7.176 0.506 1
1 489 . 14 1 1 A 49 49 LEU HA H 49 4.252 4.211 0.041 1
1 499 . 14 1 1 A 49 49 LEU C C 49 174.707 175.068 -0.361 1
1 500 . 14 1 1 A 49 49 LEU CA C 49 53.040 52.876 0.164 1
1 501 . 14 1 1 A 49 49 LEU CB C 49 41.759 41.470 0.289 1
1 505 . 14 1 1 A 49 49 LEU N N 49 121.049 122.283 -1.234 1
1 506 . 14 1 1 A 50 50 PRO HA H 50 4.392 4.716 -0.324 1
1 513 . 14 1 1 A 50 50 PRO C C 50 175.058 177.364 -2.306 1
1 514 . 14 1 1 A 50 50 PRO CA C 50 62.323 62.701 -0.378 1
1 515 . 14 1 1 A 50 50 PRO CB C 50 31.353 31.642 -0.289 1
1 518 . 14 1 1 A 51 51 ARG H H 51 8.295 8.535 -0.240 1
1 519 . 14 1 1 A 51 51 ARG HA H 51 4.511 3.974 0.537 1
1 526 . 14 1 1 A 51 51 ARG C C 51 177.443 176.283 1.160 1
1 527 . 14 1 1 A 51 51 ARG CA C 51 56.728 58.522 -1.794 1
1 528 . 14 1 1 A 51 51 ARG CB C 51 31.194 29.733 1.461 1
1 531 . 14 1 1 A 51 51 ARG N N 51 119.201 123.280 -4.079 1
1 532 . 14 1 1 A 52 52 THR H H 52 7.372 8.104 -0.732 1
1 533 . 14 1 1 A 52 52 THR HA H 52 4.963 4.886 0.077 1
1 538 . 14 1 1 A 52 52 THR C C 52 173.287 173.146 0.141 1
1 539 . 14 1 1 A 52 52 THR CA C 52 59.411 59.907 -0.496 1
1 540 . 14 1 1 A 52 52 THR CB C 52 71.632 71.737 -0.105 1
1 542 . 14 1 1 A 52 52 THR N N 52 109.591 109.287 0.304 1
1 543 . 14 1 1 A 53 53 ILE H H 53 8.742 8.990 -0.248 1
1 544 . 14 1 1 A 53 53 ILE HA H 53 3.845 4.585 -0.740 1
1 554 . 14 1 1 A 53 53 ILE C C 53 173.374 174.206 -0.832 1
1 555 . 14 1 1 A 53 53 ILE CA C 53 57.735 57.537 0.198 1
1 556 . 14 1 1 A 53 53 ILE CB C 53 41.196 41.439 -0.243 1
1 560 . 14 1 1 A 53 53 ILE N N 53 123.236 122.698 0.538 1
1 561 . 14 1 1 A 54 54 PRO HA H 54 4.541 4.648 -0.107 1
1 568 . 14 1 1 A 54 54 PRO CA C 54 61.292 62.237 -0.945 1
1 569 . 14 1 1 A 54 54 PRO CB C 54 30.119 31.510 -1.391 1
1 572 . 14 1 1 A 55 55 LEU H H 55 8.146 8.470 -0.324 1
1 573 . 14 1 1 A 55 55 LEU HA H 55 4.262 3.862 0.400 1
1 583 . 14 1 1 A 55 55 LEU CA C 55 58.660 58.982 -0.322 1
1 584 . 14 1 1 A 55 55 LEU CB C 55 39.660 39.569 0.091 1
1 588 . 14 1 1 A 55 55 LEU N N 55 127.224 123.588 3.636 1
1 589 . 14 1 1 A 56 56 PRO HA H 56 4.630 4.386 0.244 1
1 596 . 14 1 1 A 56 56 PRO C C 56 177.498 177.096 0.402 1
1 597 . 14 1 1 A 56 56 PRO CA C 56 65.782 65.660 0.122 1
1 598 . 14 1 1 A 56 56 PRO CB C 56 31.188 30.986 0.202 1
1 601 . 14 1 1 A 57 57 SER H H 57 7.722 8.166 -0.444 1
1 602 . 14 1 1 A 57 57 SER HA H 57 4.723 4.700 0.023 1
1 605 . 14 1 1 A 57 57 SER C C 57 174.102 173.223 0.879 1
1 606 . 14 1 1 A 57 57 SER CA C 57 58.423 57.786 0.637 1
1 607 . 14 1 1 A 57 57 SER CB C 57 63.924 63.889 0.035 1
1 608 . 14 1 1 A 57 57 SER N N 57 110.169 111.727 -1.558 1
1 609 . 14 1 1 A 58 58 CYS H H 58 8.002 7.927 0.075 1
1 610 . 14 1 1 A 58 58 CYS HA H 58 5.282 5.091 0.191 1
1 613 . 14 1 1 A 58 58 CYS C C 58 174.525 173.602 0.923 1
1 614 . 14 1 1 A 58 58 CYS CA C 58 59.447 56.899 2.548 1
1 615 . 14 1 1 A 58 58 CYS CB C 58 29.594 29.757 -0.163 1
1 616 . 14 1 1 A 58 58 CYS N N 58 118.902 119.019 -0.117 1
1 617 . 14 1 1 A 59 59 LYS H H 59 9.242 8.846 0.396 1
1 618 . 14 1 1 A 59 59 LYS HA H 59 4.777 4.918 -0.141 1
1 627 . 14 1 1 A 59 59 LYS C C 59 175.947 175.498 0.449 1
1 628 . 14 1 1 A 59 59 LYS CA C 59 55.299 55.233 0.066 1
1 629 . 14 1 1 A 59 59 LYS CB C 59 34.561 34.083 0.478 1
1 633 . 14 1 1 A 59 59 LYS N N 59 122.306 124.501 -2.195 1
1 634 . 14 1 1 A 60 60 LEU H H 60 9.030 9.277 -0.247 1
1 635 . 14 1 1 A 60 60 LEU HA H 60 5.543 5.181 0.362 1
1 645 . 14 1 1 A 60 60 LEU C C 60 176.239 175.931 0.308 1
1 646 . 14 1 1 A 60 60 LEU CA C 60 53.958 53.686 0.272 1
1 647 . 14 1 1 A 60 60 LEU CB C 60 44.454 42.359 2.095 1
1 651 . 14 1 1 A 60 60 LEU N N 60 129.520 126.770 2.750 1
1 652 . 14 1 1 A 61 61 SER H H 61 9.077 9.031 0.046 1
1 653 . 14 1 1 A 61 61 SER HA H 61 4.832 5.173 -0.341 1
1 656 . 14 1 1 A 61 61 SER C C 61 172.173 172.840 -0.667 1
1 657 . 14 1 1 A 61 61 SER CA C 61 57.558 57.843 -0.285 1
1 658 . 14 1 1 A 61 61 SER CB C 61 65.692 65.744 -0.052 1
1 659 . 14 1 1 A 61 61 SER N N 61 117.374 123.082 -5.708 1
1 660 . 14 1 1 A 62 62 VAL H H 62 8.784 8.919 -0.135 1
1 661 . 14 1 1 A 62 62 VAL HA H 62 4.927 4.640 0.287 1
1 669 . 14 1 1 A 62 62 VAL C C 62 174.367 174.640 -0.273 1
1 670 . 14 1 1 A 62 62 VAL CA C 62 59.782 60.616 -0.834 1
1 671 . 14 1 1 A 62 62 VAL CB C 62 33.518 32.027 1.491 1
1 674 . 14 1 1 A 62 62 VAL N N 62 119.929 127.119 -7.190 1
1 675 . 14 1 1 A 63 63 PRO HA H 63 4.495 4.699 -0.204 1
1 682 . 14 1 1 A 63 63 PRO CA C 63 62.526 62.295 0.231 1
1 683 . 14 1 1 A 63 63 PRO CB C 63 32.504 32.812 -0.308 1
1 686 . 14 1 1 A 64 64 ASP H H 64 8.762 8.545 0.217 1
1 687 . 14 1 1 A 64 64 ASP HA H 64 4.780 5.167 -0.387 1
1 690 . 14 1 1 A 64 64 ASP CA C 64 53.231 51.495 1.736 1
1 691 . 14 1 1 A 64 64 ASP CB C 64 41.105 40.915 0.190 1
1 692 . 14 1 1 A 64 64 ASP N N 64 123.527 120.630 2.897 1
1 693 . 14 1 1 A 65 65 PRO HA H 65 4.371 4.301 0.070 1
1 700 . 14 1 1 A 65 65 PRO C C 65 178.309 178.090 0.219 1
1 701 . 14 1 1 A 65 65 PRO CA C 65 64.829 65.573 -0.744 1
1 702 . 14 1 1 A 65 65 PRO CB C 65 32.136 31.885 0.251 1
1 705 . 14 1 1 A 66 66 GLU H H 66 8.890 9.065 -0.175 1
1 706 . 14 1 1 A 66 66 GLU HA H 66 4.129 4.079 0.050 1
1 711 . 14 1 1 A 66 66 GLU C C 66 177.222 178.890 -1.668 1
1 712 . 14 1 1 A 66 66 GLU CA C 66 57.805 59.305 -1.500 1
1 713 . 14 1 1 A 66 66 GLU CB C 66 29.334 29.168 0.166 1
1 715 . 14 1 1 A 66 66 GLU N N 66 117.225 116.667 0.558 1
1 716 . 14 1 1 A 67 67 GLU H H 67 7.971 8.029 -0.058 1
1 717 . 14 1 1 A 67 67 GLU HA H 67 4.136 3.994 0.142 1
1 722 . 14 1 1 A 67 67 GLU C C 67 176.058 176.462 -0.404 1
1 723 . 14 1 1 A 67 67 GLU CA C 67 57.328 59.288 -1.960 1
1 724 . 14 1 1 A 67 67 GLU CB C 67 29.594 29.169 0.425 1
1 726 . 14 1 1 A 67 67 GLU N N 67 119.516 119.525 -0.009 1
1 727 . 14 1 1 A 68 68 ARG H H 68 8.020 7.905 0.115 1
1 728 . 14 1 1 A 68 68 ARG HA H 68 4.043 3.796 0.247 1
1 735 . 14 1 1 A 68 68 ARG C C 68 175.591 175.585 0.006 1
1 736 . 14 1 1 A 68 68 ARG CA C 68 56.075 56.975 -0.900 1
1 737 . 14 1 1 A 68 68 ARG CB C 68 28.927 27.338 1.589 1
1 740 . 14 1 1 A 68 68 ARG N N 68 118.917 116.759 2.158 1
1 741 . 14 1 1 A 69 69 LEU H H 69 8.188 7.826 0.362 1
1 742 . 14 1 1 A 69 69 LEU HA H 69 4.372 4.328 0.044 1
1 752 . 14 1 1 A 69 69 LEU C C 69 176.013 177.732 -1.719 1
1 753 . 14 1 1 A 69 69 LEU CA C 69 54.682 54.929 -0.247 1
1 754 . 14 1 1 A 69 69 LEU CB C 69 43.238 42.882 0.356 1
1 758 . 14 1 1 A 69 69 LEU N N 69 122.935 120.022 2.913 1
1 759 . 14 1 1 A 70 70 ASP H H 70 8.382 9.025 -0.643 1
1 760 . 14 1 1 A 70 70 ASP HA H 70 4.123 4.138 -0.015 1
1 763 . 14 1 1 A 70 70 ASP C C 70 175.200 175.787 -0.587 1
1 764 . 14 1 1 A 70 70 ASP CA C 70 54.558 57.611 -3.053 1
1 765 . 14 1 1 A 70 70 ASP CB C 70 40.634 40.638 -0.004 1
1 766 . 14 1 1 A 70 70 ASP N N 70 119.400 123.537 -4.137 1
1 767 . 14 1 1 A 71 71 SER H H 71 7.391 7.327 0.064 1
1 768 . 14 1 1 A 71 71 SER HA H 71 4.233 4.477 -0.244 1
1 771 . 14 1 1 A 71 71 SER C C 71 174.294 174.406 -0.112 1
1 772 . 14 1 1 A 71 71 SER CA C 71 58.017 56.831 1.186 1
1 773 . 14 1 1 A 71 71 SER CB C 71 63.430 65.809 -2.379 1
1 774 . 14 1 1 A 71 71 SER N N 71 114.807 109.986 4.821 1
1 775 . 14 1 1 A 72 72 GLY H H 72 7.981 8.218 -0.237 1
1 776 . 14 1 1 A 72 72 GLY HA2 H 72 3.702 3.605 0.097 1
1 777 . 14 1 1 A 72 72 GLY HA3 H 72 3.610 3.722 -0.112 1
1 778 . 14 1 1 A 72 72 GLY C C 72 172.912 173.799 -0.887 1
1 779 . 14 1 1 A 72 72 GLY CA C 72 44.675 46.360 -1.685 1
1 780 . 14 1 1 A 72 72 GLY N N 72 108.675 109.193 -0.518 1
1 781 . 14 1 1 A 73 73 HIS H H 73 8.462 7.967 0.495 1
1 782 . 14 1 1 A 73 73 HIS HA H 73 4.859 5.139 -0.280 1
1 787 . 14 1 1 A 73 73 HIS C C 73 174.804 174.096 0.708 1
1 788 . 14 1 1 A 73 73 HIS CA C 73 54.700 54.994 -0.294 1
1 789 . 14 1 1 A 73 73 HIS CB C 73 28.762 30.184 -1.422 1
1 792 . 14 1 1 A 73 73 HIS N N 73 122.843 117.552 5.291 1
1 793 . 14 1 1 A 74 74 VAL H H 74 7.682 8.724 -1.042 1
1 794 . 14 1 1 A 74 74 VAL HA H 74 5.402 4.724 0.678 1
1 802 . 14 1 1 A 74 74 VAL C C 74 176.121 173.757 2.364 1
1 803 . 14 1 1 A 74 74 VAL CA C 74 61.246 60.223 1.023 1
1 804 . 14 1 1 A 74 74 VAL CB C 74 35.383 35.784 -0.401 1
1 807 . 14 1 1 A 74 74 VAL N N 74 120.824 121.530 -0.706 1
1 808 . 14 1 1 A 75 75 TRP H H 75 9.581 8.333 1.248 1
1 809 . 14 1 1 A 75 75 TRP HA H 75 5.342 5.982 -0.640 1
1 818 . 14 1 1 A 75 75 TRP C C 75 171.123 173.269 -2.146 1
1 819 . 14 1 1 A 75 75 TRP CA C 75 57.046 54.712 2.334 1
1 820 . 14 1 1 A 75 75 TRP CB C 75 32.834 33.216 -0.382 1
1 826 . 14 1 1 A 75 75 TRP N N 75 124.656 122.538 2.118 1
1 828 . 14 1 1 A 76 76 LYS H H 76 9.557 9.250 0.307 1
1 829 . 14 1 1 A 76 76 LYS HA H 76 5.192 4.790 0.402 1
1 838 . 14 1 1 A 76 76 LYS C C 76 174.801 175.052 -0.251 1
1 839 . 14 1 1 A 76 76 LYS CA C 76 54.876 55.598 -0.722 1
1 840 . 14 1 1 A 76 76 LYS CB C 76 36.740 33.925 2.815 1
1 844 . 14 1 1 A 76 76 LYS N N 76 121.724 121.650 0.074 1
1 845 . 14 1 1 A 77 77 LEU H H 77 8.957 8.412 0.545 1
1 846 . 14 1 1 A 77 77 LEU HA H 77 5.272 5.364 -0.092 1
1 856 . 14 1 1 A 77 77 LEU C C 77 174.927 174.996 -0.069 1
1 857 . 14 1 1 A 77 77 LEU CA C 77 54.046 54.344 -0.298 1
1 858 . 14 1 1 A 77 77 LEU CB C 77 46.281 44.705 1.576 1
1 862 . 14 1 1 A 77 77 LEU N N 77 124.578 125.532 -0.954 1
1 863 . 14 1 1 A 78 78 GLN H H 78 8.629 8.602 0.027 1
1 864 . 14 1 1 A 78 78 GLN HA H 78 5.308 5.264 0.044 1
1 871 . 14 1 1 A 78 78 GLN C C 78 174.564 174.729 -0.165 1
1 872 . 14 1 1 A 78 78 GLN CA C 78 54.452 54.375 0.077 1
1 873 . 14 1 1 A 78 78 GLN CB C 78 32.833 31.624 1.209 1
1 875 . 14 1 1 A 78 78 GLN N N 78 121.344 125.554 -4.210 1
1 877 . 14 1 1 A 79 79 TRP H H 79 8.601 8.522 0.079 1
1 878 . 14 1 1 A 79 79 TRP HA H 79 5.003 4.975 0.028 1
1 887 . 14 1 1 A 79 79 TRP C C 79 173.001 174.085 -1.084 1
1 888 . 14 1 1 A 79 79 TRP CA C 79 56.323 56.686 -0.363 1
1 889 . 14 1 1 A 79 79 TRP CB C 79 32.258 31.499 0.759 1
1 895 . 14 1 1 A 79 79 TRP N N 79 128.274 123.845 4.429 1
1 897 . 14 1 1 A 80 80 ALA H H 80 9.181 9.321 -0.140 1
1 898 . 14 1 1 A 80 80 ALA HA H 80 3.933 3.914 0.019 1
1 902 . 14 1 1 A 80 80 ALA C C 80 177.360 176.715 0.645 1
1 903 . 14 1 1 A 80 80 ALA CA C 80 54.222 53.224 0.998 1
1 904 . 14 1 1 A 80 80 ALA CB C 80 17.329 17.197 0.132 1
1 905 . 14 1 1 A 80 80 ALA N N 80 126.348 121.601 4.747 1
1 906 . 14 1 1 A 81 81 LYS H H 81 8.163 8.381 -0.218 1
1 907 . 14 1 1 A 81 81 LYS HA H 81 4.290 3.824 0.466 1
1 916 . 14 1 1 A 81 81 LYS C C 81 176.068 174.866 1.202 1
1 917 . 14 1 1 A 81 81 LYS CA C 81 56.305 57.311 -1.006 1
1 918 . 14 1 1 A 81 81 LYS CB C 81 31.312 31.003 0.309 1
1 922 . 14 1 1 A 81 81 LYS N N 81 120.289 113.773 6.516 1
1 923 . 14 1 1 A 82 82 GLN H H 82 8.423 7.587 0.836 1
1 924 . 14 1 1 A 82 82 GLN HA H 82 4.255 4.680 -0.425 1
1 931 . 14 1 1 A 82 82 GLN C C 82 174.996 174.129 0.867 1
1 932 . 14 1 1 A 82 82 GLN CA C 82 54.805 53.678 1.127 1
1 933 . 14 1 1 A 82 82 GLN CB C 82 30.942 32.030 -1.088 1
1 935 . 14 1 1 A 82 82 GLN N N 82 119.918 118.249 1.669 1
1 937 . 14 1 1 A 83 83 SER H H 83 7.683 7.980 -0.297 1
1 938 . 14 1 1 A 83 83 SER HA H 83 4.991 5.313 -0.322 1
1 941 . 14 1 1 A 83 83 SER C C 83 171.947 172.320 -0.373 1
1 942 . 14 1 1 A 83 83 SER CA C 83 57.629 57.450 0.179 1
1 943 . 14 1 1 A 83 83 SER CB C 83 64.664 65.570 -0.906 1
1 944 . 14 1 1 A 83 83 SER N N 83 115.649 112.654 2.995 1
1 945 . 14 1 1 A 84 84 TRP H H 84 8.665 8.753 -0.088 1
1 946 . 14 1 1 A 84 84 TRP HA H 84 4.714 4.945 -0.231 1
1 955 . 14 1 1 A 84 84 TRP C C 84 174.105 174.521 -0.416 1
1 956 . 14 1 1 A 84 84 TRP CA C 84 56.834 56.156 0.678 1
1 957 . 14 1 1 A 84 84 TRP CB C 84 33.368 33.366 0.002 1
1 963 . 14 1 1 A 84 84 TRP N N 84 122.334 124.054 -1.720 1
1 965 . 14 1 1 A 85 85 TYR H H 85 9.220 8.935 0.285 1
1 966 . 14 1 1 A 85 85 TYR HA H 85 5.209 5.090 0.119 1
1 973 . 14 1 1 A 85 85 TYR C C 85 175.136 174.800 0.336 1
1 974 . 14 1 1 A 85 85 TYR CA C 85 56.993 57.373 -0.380 1
1 975 . 14 1 1 A 85 85 TYR CB C 85 41.058 40.118 0.940 1
1 980 . 14 1 1 A 85 85 TYR N N 85 117.934 122.193 -4.259 1
1 981 . 14 1 1 A 86 86 LEU H H 86 8.662 8.827 -0.165 1
1 982 . 14 1 1 A 86 86 LEU HA H 86 5.172 4.560 0.612 1
1 992 . 14 1 1 A 86 86 LEU C C 86 174.454 175.078 -0.624 1
1 993 . 14 1 1 A 86 86 LEU CA C 86 53.587 53.151 0.436 1
1 994 . 14 1 1 A 86 86 LEU CB C 86 43.773 42.003 1.770 1
1 998 . 14 1 1 A 86 86 LEU N N 86 121.945 124.933 -2.988 1
1 999 . 14 1 1 A 87 87 SER H H 87 8.642 8.817 -0.175 1
1 1000 . 14 1 1 A 87 87 SER HA H 87 4.995 4.990 0.005 1
1 1003 . 14 1 1 A 87 87 SER C C 87 173.683 173.843 -0.160 1
1 1004 . 14 1 1 A 87 87 SER CA C 87 55.052 56.347 -1.295 1
1 1005 . 14 1 1 A 87 87 SER CB C 87 65.487 64.776 0.711 1
1 1006 . 14 1 1 A 87 87 SER N N 87 111.719 120.152 -8.433 1
1 1007 . 14 1 1 A 88 88 ALA H H 88 8.472 8.684 -0.212 1
1 1008 . 14 1 1 A 88 88 ALA HA H 88 5.184 4.830 0.354 1
1 1012 . 14 1 1 A 88 88 ALA C C 88 178.012 177.972 0.040 1
1 1013 . 14 1 1 A 88 88 ALA CA C 88 49.423 50.175 -0.752 1
1 1014 . 14 1 1 A 88 88 ALA CB C 88 22.919 21.740 1.179 1
1 1015 . 14 1 1 A 88 88 ALA N N 88 126.939 125.271 1.668 1
1 1016 . 14 1 1 A 89 89 SER H H 89 8.182 8.778 -0.596 1
1 1017 . 14 1 1 A 89 89 SER HA H 89 4.274 4.240 0.034 1
1 1020 . 14 1 1 A 89 89 SER C C 89 174.039 173.677 0.362 1
1 1021 . 14 1 1 A 89 89 SER CA C 89 60.135 61.163 -1.028 1
1 1022 . 14 1 1 A 89 89 SER CB C 89 63.571 63.123 0.448 1
1 1023 . 14 1 1 A 89 89 SER N N 89 111.359 116.786 -5.427 1
1 1024 . 14 1 1 A 90 90 SER H H 90 7.392 7.732 -0.340 1
1 1025 . 14 1 1 A 90 90 SER HA H 90 4.383 4.145 0.238 1
1 1028 . 14 1 1 A 90 90 SER C C 90 173.114 173.713 -0.599 1
1 1029 . 14 1 1 A 90 90 SER CA C 90 56.023 57.139 -1.116 1
1 1030 . 14 1 1 A 90 90 SER CB C 90 67.108 66.211 0.897 1
1 1031 . 14 1 1 A 90 90 SER N N 90 113.112 112.472 0.640 1
1 1032 . 14 1 1 A 91 91 ALA H H 91 8.532 8.082 0.450 1
1 1033 . 14 1 1 A 91 91 ALA HA H 91 3.763 3.999 -0.236 1
1 1037 . 14 1 1 A 91 91 ALA C C 91 179.816 179.874 -0.058 1
1 1038 . 14 1 1 A 91 91 ALA CA C 91 54.699 55.393 -0.694 1
1 1039 . 14 1 1 A 91 91 ALA CB C 91 18.111 18.218 -0.107 1
1 1040 . 14 1 1 A 91 91 ALA N N 91 123.767 124.011 -0.244 1
1 1041 . 14 1 1 A 92 92 GLU H H 92 8.766 8.286 0.480 1
1 1042 . 14 1 1 A 92 92 GLU HA H 92 3.942 4.106 -0.164 1
1 1047 . 14 1 1 A 92 92 GLU C C 92 179.568 178.335 1.233 1
1 1048 . 14 1 1 A 92 92 GLU CA C 92 60.206 59.260 0.946 1
1 1049 . 14 1 1 A 92 92 GLU CB C 92 28.721 29.131 -0.410 1
1 1051 . 14 1 1 A 92 92 GLU N N 92 118.712 116.433 2.279 1
1 1052 . 14 1 1 A 93 93 LEU H H 93 7.852 7.881 -0.029 1
1 1053 . 14 1 1 A 93 93 LEU HA H 93 4.274 4.135 0.139 1
1 1063 . 14 1 1 A 93 93 LEU C C 93 178.805 178.606 0.199 1
1 1064 . 14 1 1 A 93 93 LEU CA C 93 57.382 57.022 0.360 1
1 1065 . 14 1 1 A 93 93 LEU CB C 93 43.115 41.359 1.756 1
1 1069 . 14 1 1 A 93 93 LEU N N 93 121.212 122.228 -1.016 1
1 1070 . 14 1 1 A 94 94 GLN H H 94 8.080 8.462 -0.382 1
1 1071 . 14 1 1 A 94 94 GLN HA H 94 3.843 4.286 -0.443 1
1 1078 . 14 1 1 A 94 94 GLN C C 94 176.960 178.075 -1.115 1
1 1079 . 14 1 1 A 94 94 GLN CA C 94 59.694 59.134 0.560 1
1 1080 . 14 1 1 A 94 94 GLN CB C 94 28.063 28.722 -0.659 1
1 1082 . 14 1 1 A 94 94 GLN N N 94 120.439 119.049 1.390 1
1 1084 . 14 1 1 A 95 95 GLN H H 95 8.293 8.368 -0.075 1
1 1085 . 14 1 1 A 95 95 GLN HA H 95 3.779 4.051 -0.272 1
1 1092 . 14 1 1 A 95 95 GLN C C 95 177.938 177.754 0.184 1
1 1093 . 14 1 1 A 95 95 GLN CA C 95 59.005 58.867 0.138 1
1 1094 . 14 1 1 A 95 95 GLN CB C 95 27.610 28.275 -0.665 1
1 1096 . 14 1 1 A 95 95 GLN N N 95 117.408 117.059 0.349 1
1 1098 . 14 1 1 A 96 96 GLN H H 96 7.731 7.840 -0.109 1
1 1099 . 14 1 1 A 96 96 GLN HA H 96 3.966 4.021 -0.055 1
1 1106 . 14 1 1 A 96 96 GLN C C 96 179.685 177.407 2.278 1
1 1107 . 14 1 1 A 96 96 GLN CA C 96 58.987 58.064 0.923 1
1 1108 . 14 1 1 A 96 96 GLN CB C 96 28.433 28.002 0.431 1
1 1110 . 14 1 1 A 96 96 GLN N N 96 119.621 117.400 2.221 1
1 1112 . 14 1 1 A 97 97 TRP H H 97 8.410 7.004 1.406 1
1 1113 . 14 1 1 A 97 97 TRP HA H 97 3.792 4.463 -0.671 1
1 1122 . 14 1 1 A 97 97 TRP C C 97 178.515 178.813 -0.298 1
1 1123 . 14 1 1 A 97 97 TRP CA C 97 61.670 59.112 2.558 1
1 1124 . 14 1 1 A 97 97 TRP CB C 97 29.972 30.150 -0.178 1
1 1130 . 14 1 1 A 97 97 TRP N N 97 121.370 119.660 1.710 1
1 1132 . 14 1 1 A 98 98 LEU H H 98 8.505 8.026 0.479 1
1 1133 . 14 1 1 A 98 98 LEU HA H 98 3.485 3.552 -0.067 1
1 1143 . 14 1 1 A 98 98 LEU C C 98 180.194 179.119 1.075 1
1 1144 . 14 1 1 A 98 98 LEU CA C 98 58.706 57.683 1.023 1
1 1145 . 14 1 1 A 98 98 LEU CB C 98 41.141 41.219 -0.078 1
1 1149 . 14 1 1 A 98 98 LEU N N 98 119.038 119.961 -0.923 1
1 1150 . 14 1 1 A 99 99 GLU H H 99 8.241 8.461 -0.220 1
1 1151 . 14 1 1 A 99 99 GLU HA H 99 3.927 3.946 -0.019 1
1 1156 . 14 1 1 A 99 99 GLU C C 99 179.082 179.182 -0.100 1
1 1157 . 14 1 1 A 99 99 GLU CA C 99 59.587 59.301 0.286 1
1 1158 . 14 1 1 A 99 99 GLU CB C 99 29.296 29.388 -0.092 1
1 1160 . 14 1 1 A 99 99 GLU N N 99 119.886 119.383 0.503 1
1 1161 . 14 1 1 A 100 100 THR H H 100 7.780 7.683 0.097 1
1 1162 . 14 1 1 A 100 100 THR HA H 100 3.862 4.000 -0.138 1
1 1167 . 14 1 1 A 100 100 THR C C 100 176.899 176.799 0.100 1
1 1168 . 14 1 1 A 100 100 THR CA C 100 67.088 66.810 0.278 1
1 1169 . 14 1 1 A 100 100 THR CB C 100 68.178 68.350 -0.172 1
1 1171 . 14 1 1 A 100 100 THR N N 100 116.913 115.491 1.422 1
1 1172 . 14 1 1 A 101 101 LEU H H 101 9.159 8.106 1.053 1
1 1173 . 14 1 1 A 101 101 LEU HA H 101 3.993 3.983 0.010 1
1 1183 . 14 1 1 A 101 101 LEU C C 101 178.416 178.966 -0.550 1
1 1184 . 14 1 1 A 101 101 LEU CA C 101 58.017 57.952 0.065 1
1 1185 . 14 1 1 A 101 101 LEU CB C 101 42.004 41.932 0.072 1
1 1189 . 14 1 1 A 101 101 LEU N N 101 121.065 121.301 -0.236 1
1 1190 . 14 1 1 A 102 102 SER H H 102 7.978 8.061 -0.083 1
1 1191 . 14 1 1 A 102 102 SER HA H 102 4.094 4.118 -0.024 1
1 1194 . 14 1 1 A 102 102 SER C C 102 176.370 176.176 0.194 1
1 1195 . 14 1 1 A 102 102 SER CA C 102 61.794 62.760 -0.966 1
1 1196 . 14 1 1 A 102 102 SER CB C 102 62.855 63.147 -0.292 1
1 1197 . 14 1 1 A 102 102 SER N N 102 112.923 113.922 -0.999 1
1 1198 . 14 1 1 A 103 103 THR H H 103 7.683 8.390 -0.707 1
1 1199 . 14 1 1 A 103 103 THR HA H 103 4.020 3.907 0.113 1
1 1204 . 14 1 1 A 103 103 THR C C 103 176.061 176.645 -0.584 1
1 1205 . 14 1 1 A 103 103 THR CA C 103 65.412 66.611 -1.199 1
1 1206 . 14 1 1 A 103 103 THR CB C 103 68.918 68.739 0.179 1
1 1208 . 14 1 1 A 103 103 THR N N 103 116.420 117.290 -0.870 1
1 1209 . 14 1 1 A 104 104 ALA H H 104 7.760 8.106 -0.346 1
1 1210 . 14 1 1 A 104 104 ALA HA H 104 4.272 3.959 0.313 1
1 1214 . 14 1 1 A 104 104 ALA C C 104 178.160 179.658 -1.498 1
1 1215 . 14 1 1 A 104 104 ALA CA C 104 54.011 55.422 -1.411 1
1 1216 . 14 1 1 A 104 104 ALA CB C 104 20.155 18.308 1.847 1
1 1217 . 14 1 1 A 104 104 ALA N N 104 123.981 123.149 0.832 1
1 1218 . 14 1 1 A 105 105 ALA H H 105 7.824 8.169 -0.345 1
1 1219 . 14 1 1 A 105 105 ALA HA H 105 4.092 4.094 -0.002 1
1 1223 . 14 1 1 A 105 105 ALA C C 105 177.657 177.934 -0.277 1
1 1224 . 14 1 1 A 105 105 ALA CA C 105 53.058 55.460 -2.402 1
1 1225 . 14 1 1 A 105 105 ALA CB C 105 19.067 19.061 0.006 1
1 1226 . 14 1 1 A 105 105 ALA N N 105 118.227 119.600 -1.373 1
1 1227 . 14 1 1 A 106 106 HIS H H 106 7.675 8.177 -0.502 1
1 1228 . 14 1 1 A 106 106 HIS HA H 106 4.703 5.156 -0.453 1
1 1233 . 14 1 1 A 106 106 HIS C C 106 175.296 174.367 0.929 1
1 1234 . 14 1 1 A 106 106 HIS CA C 106 56.287 54.958 1.329 1
1 1235 . 14 1 1 A 106 106 HIS CB C 106 30.407 30.369 0.038 1
1 1238 . 14 1 1 A 106 106 HIS N N 106 115.860 115.033 0.827 1
1 1239 . 14 1 1 A 107 107 SER H H 107 8.015 8.762 -0.747 1
1 1240 . 14 1 1 A 107 107 SER HA H 107 4.560 4.836 -0.276 1
1 1243 . 14 1 1 A 107 107 SER C C 107 174.345 173.743 0.602 1
1 1244 . 14 1 1 A 107 107 SER CA C 107 58.546 57.779 0.767 1
1 1245 . 14 1 1 A 107 107 SER CB C 107 64.130 65.568 -1.438 1
1 1246 . 14 1 1 A 107 107 SER N N 107 116.310 118.457 -2.147 1
1 1247 . 14 1 1 A 108 108 GLY H H 108 8.282 8.590 -0.308 1
1 1248 . 14 1 1 A 108 108 GLY HA2 H 108 4.213 4.109 0.104 1
1 1249 . 14 1 1 A 108 108 GLY HA3 H 108 4.042 4.112 -0.070 1
1 1250 . 14 1 1 A 108 108 GLY C C 108 171.750 173.937 -2.187 1
1 1251 . 14 1 1 A 108 108 GLY CA C 108 44.640 44.815 -0.175 1
1 1252 . 14 1 1 A 108 108 GLY N N 108 110.511 116.778 -6.267 1
1 1253 . 14 1 1 A 109 109 PRO HA H 109 4.497 4.369 0.128 1
1 1260 . 14 1 1 A 109 109 PRO C C 109 177.419 177.443 -0.024 1
1 1261 . 14 1 1 A 109 109 PRO CA C 109 63.241 63.077 0.164 1
1 1262 . 14 1 1 A 109 109 PRO CB C 109 32.264 31.722 0.542 1
1 1265 . 14 1 1 A 110 110 SER H H 110 8.558 8.226 0.332 1
1 1266 . 14 1 1 A 110 110 SER C C 110 174.715 174.070 0.645 1
1 1267 . 14 1 1 A 110 110 SER CA C 110 58.335 59.675 -1.340 1
1 1268 . 14 1 1 A 110 110 SER CB C 110 63.759 64.185 -0.426 1
1 1269 . 14 1 1 A 110 110 SER N N 110 116.470 120.014 -3.544 1
1 1270 . 14 1 1 A 111 111 SER H H 111 8.357 8.629 -0.272 1
1 1271 . 14 1 1 A 111 111 SER C C 111 173.931 173.468 0.463 1
1 1272 . 14 1 1 A 111 111 SER CA C 111 58.335 56.471 1.864 1
1 1 . 15 1 1 A 8 8 SER HA H 8 5.012 4.932 0.080 1
1 4 . 15 1 1 A 8 8 SER CA C 8 58.166 57.509 0.657 1
1 5 . 15 1 1 A 8 8 SER CB C 8 64.582 66.359 -1.777 1
1 6 . 15 1 1 A 9 9 LEU H H 9 9.253 8.476 0.777 1
1 7 . 15 1 1 A 9 9 LEU HA H 9 4.091 3.933 0.158 1
1 17 . 15 1 1 A 9 9 LEU C C 9 176.799 176.360 0.439 1
1 18 . 15 1 1 A 9 9 LEU CA C 9 57.523 58.359 -0.836 1
1 19 . 15 1 1 A 9 9 LEU CB C 9 42.703 42.046 0.657 1
1 23 . 15 1 1 A 9 9 LEU N N 9 127.432 127.083 0.349 1
1 24 . 15 1 1 A 10 10 LEU H H 10 6.827 7.841 -1.014 1
1 25 . 15 1 1 A 10 10 LEU HA H 10 4.201 4.626 -0.425 1
1 35 . 15 1 1 A 10 10 LEU C C 10 173.779 174.794 -1.015 1
1 36 . 15 1 1 A 10 10 LEU CA C 10 54.399 53.872 0.527 1
1 37 . 15 1 1 A 10 10 LEU CB C 10 45.006 45.470 -0.464 1
1 41 . 15 1 1 A 10 10 LEU N N 10 116.105 117.681 -1.576 1
1 42 . 15 1 1 A 11 11 CYS H H 11 7.989 8.921 -0.932 1
1 43 . 15 1 1 A 11 11 CYS HA H 11 5.743 5.458 0.285 1
1 46 . 15 1 1 A 11 11 CYS C C 11 172.654 173.201 -0.547 1
1 47 . 15 1 1 A 11 11 CYS CA C 11 55.546 57.377 -1.831 1
1 48 . 15 1 1 A 11 11 CYS CB C 11 31.333 31.386 -0.053 1
1 49 . 15 1 1 A 11 11 CYS N N 11 117.939 123.617 -5.678 1
1 50 . 15 1 1 A 12 12 GLY H H 12 8.479 7.377 1.102 1
1 51 . 15 1 1 A 12 12 GLY HA2 H 12 4.419 3.684 0.735 1
1 52 . 15 1 1 A 12 12 GLY HA3 H 12 2.832 4.098 -1.266 1
1 53 . 15 1 1 A 12 12 GLY C C 12 168.720 171.952 -3.232 1
1 54 . 15 1 1 A 12 12 GLY CA C 12 44.710 44.307 0.403 1
1 55 . 15 1 1 A 12 12 GLY N N 12 109.046 106.881 2.165 1
1 56 . 15 1 1 A 13 13 PRO HA H 13 5.163 4.772 0.391 1
1 63 . 15 1 1 A 13 13 PRO C C 13 177.501 175.107 2.394 1
1 64 . 15 1 1 A 13 13 PRO CA C 13 62.182 62.691 -0.509 1
1 65 . 15 1 1 A 13 13 PRO CB C 13 32.587 31.889 0.698 1
1 68 . 15 1 1 A 14 14 LEU H H 14 8.630 8.736 -0.106 1
1 69 . 15 1 1 A 14 14 LEU HA H 14 4.764 4.962 -0.198 1
1 79 . 15 1 1 A 14 14 LEU C C 14 175.698 174.822 0.876 1
1 80 . 15 1 1 A 14 14 LEU CA C 14 53.975 53.047 0.928 1
1 81 . 15 1 1 A 14 14 LEU CB C 14 48.936 46.054 2.882 1
1 85 . 15 1 1 A 14 14 LEU N N 14 122.246 123.985 -1.739 1
1 86 . 15 1 1 A 15 15 ARG H H 15 8.498 7.918 0.580 1
1 87 . 15 1 1 A 15 15 ARG HA H 15 5.421 5.333 0.088 1
1 95 . 15 1 1 A 15 15 ARG C C 15 174.664 175.131 -0.467 1
1 96 . 15 1 1 A 15 15 ARG CA C 15 54.858 54.807 0.051 1
1 97 . 15 1 1 A 15 15 ARG CB C 15 34.085 33.162 0.923 1
1 100 . 15 1 1 A 15 15 ARG N N 15 118.593 123.006 -4.413 1
1 102 . 15 1 1 A 16 16 LEU H H 16 9.244 8.727 0.517 1
1 103 . 15 1 1 A 16 16 LEU HA H 16 5.662 5.517 0.145 1
1 113 . 15 1 1 A 16 16 LEU C C 16 176.872 174.980 1.892 1
1 114 . 15 1 1 A 16 16 LEU CA C 16 53.746 54.052 -0.306 1
1 115 . 15 1 1 A 16 16 LEU CB C 16 47.803 46.074 1.729 1
1 119 . 15 1 1 A 16 16 LEU N N 16 123.893 124.550 -0.657 1
1 120 . 15 1 1 A 17 17 SER H H 17 8.982 8.641 0.341 1
1 121 . 15 1 1 A 17 17 SER HA H 17 4.484 5.424 -0.940 1
1 124 . 15 1 1 A 17 17 SER C C 17 173.790 172.705 1.085 1
1 125 . 15 1 1 A 17 17 SER CA C 17 57.081 56.730 0.351 1
1 126 . 15 1 1 A 17 17 SER CB C 17 64.487 65.119 -0.632 1
1 127 . 15 1 1 A 17 17 SER N N 17 117.455 119.813 -2.358 1
1 128 . 15 1 1 A 18 18 GLU H H 18 9.102 8.650 0.452 1
1 129 . 15 1 1 A 18 18 GLU HA H 18 3.832 4.509 -0.677 1
1 134 . 15 1 1 A 18 18 GLU C C 18 176.185 176.363 -0.178 1
1 135 . 15 1 1 A 18 18 GLU CA C 18 58.793 55.470 3.323 1
1 136 . 15 1 1 A 18 18 GLU CB C 18 30.037 29.556 0.481 1
1 138 . 15 1 1 A 18 18 GLU N N 18 129.354 122.406 6.948 1
1 139 . 15 1 1 A 19 19 SER H H 19 7.792 9.284 -1.492 1
1 140 . 15 1 1 A 19 19 SER HA H 19 4.650 4.398 0.252 1
1 143 . 15 1 1 A 19 19 SER C C 19 175.321 174.202 1.119 1
1 144 . 15 1 1 A 19 19 SER CA C 19 57.699 59.380 -1.681 1
1 145 . 15 1 1 A 19 19 SER CB C 19 65.816 61.771 4.045 1
1 146 . 15 1 1 A 19 19 SER N N 19 108.812 121.661 -12.849 1
1 147 . 15 1 1 A 20 20 GLY H H 20 8.376 8.475 -0.099 1
1 148 . 15 1 1 A 20 20 GLY HA2 H 20 3.931 3.179 0.752 1
1 149 . 15 1 1 A 20 20 GLY HA3 H 20 2.690 3.568 -0.878 1
1 150 . 15 1 1 A 20 20 GLY C C 20 172.644 174.175 -1.531 1
1 151 . 15 1 1 A 20 20 GLY CA C 20 44.746 46.626 -1.880 1
1 152 . 15 1 1 A 20 20 GLY N N 20 111.458 105.803 5.655 1
1 153 . 15 1 1 A 21 21 GLU H H 21 7.522 7.656 -0.134 1
1 154 . 15 1 1 A 21 21 GLU HA H 21 4.274 4.595 -0.321 1
1 159 . 15 1 1 A 21 21 GLU C C 21 176.266 175.700 0.566 1
1 160 . 15 1 1 A 21 21 GLU CA C 21 58.069 57.406 0.663 1
1 161 . 15 1 1 A 21 21 GLU CB C 21 31.024 32.806 -1.782 1
1 163 . 15 1 1 A 21 21 GLU N N 21 119.071 119.119 -0.048 1
1 164 . 15 1 1 A 22 22 THR H H 22 7.436 7.854 -0.418 1
1 165 . 15 1 1 A 22 22 THR HA H 22 4.618 4.766 -0.148 1
1 170 . 15 1 1 A 22 22 THR C C 22 173.662 172.685 0.977 1
1 171 . 15 1 1 A 22 22 THR CA C 22 60.682 60.724 -0.042 1
1 172 . 15 1 1 A 22 22 THR CB C 22 70.504 71.003 -0.499 1
1 174 . 15 1 1 A 22 22 THR N N 22 111.176 109.001 2.175 1
1 175 . 15 1 1 A 23 23 TRP H H 23 9.121 8.876 0.245 1
1 176 . 15 1 1 A 23 23 TRP HA H 23 4.983 5.436 -0.453 1
1 185 . 15 1 1 A 23 23 TRP C C 23 175.888 176.586 -0.698 1
1 186 . 15 1 1 A 23 23 TRP CA C 23 56.570 56.628 -0.058 1
1 187 . 15 1 1 A 23 23 TRP CB C 23 32.176 30.793 1.383 1
1 193 . 15 1 1 A 23 23 TRP N N 23 127.096 127.471 -0.375 1
1 195 . 15 1 1 A 24 24 SER H H 24 9.273 9.295 -0.022 1
1 196 . 15 1 1 A 24 24 SER HA H 24 4.948 5.209 -0.261 1
1 199 . 15 1 1 A 24 24 SER C C 24 173.268 172.418 0.850 1
1 200 . 15 1 1 A 24 24 SER CA C 24 57.346 57.337 0.009 1
1 201 . 15 1 1 A 24 24 SER CB C 24 65.445 66.609 -1.164 1
1 202 . 15 1 1 A 24 24 SER N N 24 118.031 117.555 0.476 1
1 203 . 15 1 1 A 25 25 GLU H H 25 8.990 8.526 0.464 1
1 204 . 15 1 1 A 25 25 GLU HA H 25 4.737 4.906 -0.169 1
1 209 . 15 1 1 A 25 25 GLU C C 25 176.246 175.754 0.492 1
1 210 . 15 1 1 A 25 25 GLU CA C 25 57.170 55.705 1.465 1
1 211 . 15 1 1 A 25 25 GLU CB C 25 30.202 30.719 -0.517 1
1 213 . 15 1 1 A 25 25 GLU N N 25 125.088 121.395 3.693 1
1 214 . 15 1 1 A 26 26 VAL H H 26 9.012 9.200 -0.188 1
1 215 . 15 1 1 A 26 26 VAL HA H 26 5.002 5.065 -0.063 1
1 223 . 15 1 1 A 26 26 VAL C C 26 174.304 173.520 0.784 1
1 224 . 15 1 1 A 26 26 VAL CA C 26 58.917 59.140 -0.223 1
1 225 . 15 1 1 A 26 26 VAL CB C 26 35.753 36.148 -0.395 1
1 228 . 15 1 1 A 26 26 VAL N N 26 118.076 118.741 -0.665 1
1 229 . 15 1 1 A 27 27 TRP H H 27 8.880 9.070 -0.190 1
1 230 . 15 1 1 A 27 27 TRP HA H 27 4.814 5.493 -0.679 1
1 239 . 15 1 1 A 27 27 TRP C C 27 174.255 174.374 -0.119 1
1 240 . 15 1 1 A 27 27 TRP CA C 27 57.117 55.028 2.089 1
1 241 . 15 1 1 A 27 27 TRP CB C 27 30.325 32.757 -2.432 1
1 247 . 15 1 1 A 27 27 TRP N N 27 122.873 125.485 -2.612 1
1 249 . 15 1 1 A 28 28 ALA H H 28 8.482 8.361 0.121 1
1 250 . 15 1 1 A 28 28 ALA HA H 28 5.329 5.524 -0.195 1
1 254 . 15 1 1 A 28 28 ALA C C 28 175.519 175.717 -0.198 1
1 255 . 15 1 1 A 28 28 ALA CA C 28 49.670 50.142 -0.472 1
1 256 . 15 1 1 A 28 28 ALA CB C 28 23.827 21.820 2.007 1
1 257 . 15 1 1 A 28 28 ALA N N 28 133.586 129.786 3.800 1
1 258 . 15 1 1 A 29 29 ALA H H 29 8.948 8.989 -0.041 1
1 259 . 15 1 1 A 29 29 ALA HA H 29 5.160 5.262 -0.102 1
1 263 . 15 1 1 A 29 29 ALA C C 29 175.956 176.085 -0.129 1
1 264 . 15 1 1 A 29 29 ALA CA C 29 52.210 51.764 0.446 1
1 265 . 15 1 1 A 29 29 ALA CB C 29 23.697 22.943 0.754 1
1 266 . 15 1 1 A 29 29 ALA N N 29 119.901 122.972 -3.071 1
1 267 . 15 1 1 A 30 30 ILE H H 30 8.245 8.630 -0.385 1
1 268 . 15 1 1 A 30 30 ILE HA H 30 5.313 4.638 0.675 1
1 278 . 15 1 1 A 30 30 ILE C C 30 174.004 174.573 -0.569 1
1 279 . 15 1 1 A 30 30 ILE CA C 30 57.699 57.398 0.301 1
1 280 . 15 1 1 A 30 30 ILE CB C 30 40.565 39.175 1.390 1
1 284 . 15 1 1 A 30 30 ILE N N 30 122.332 121.395 0.937 1
1 285 . 15 1 1 A 31 31 PRO HA H 31 4.655 4.686 -0.031 1
1 292 . 15 1 1 A 31 31 PRO C C 31 177.566 177.841 -0.275 1
1 293 . 15 1 1 A 31 31 PRO CA C 31 62.464 62.382 0.082 1
1 294 . 15 1 1 A 31 31 PRO CB C 31 31.929 31.471 0.458 1
1 297 . 15 1 1 A 32 32 MET H H 32 8.572 8.604 -0.032 1
1 298 . 15 1 1 A 32 32 MET HA H 32 3.997 4.070 -0.073 1
1 306 . 15 1 1 A 32 32 MET C C 32 177.770 178.203 -0.433 1
1 307 . 15 1 1 A 32 32 MET CA C 32 58.158 58.744 -0.586 1
1 308 . 15 1 1 A 32 32 MET CB C 32 31.929 32.186 -0.257 1
1 311 . 15 1 1 A 32 32 MET N N 32 121.580 124.116 -2.536 1
1 312 . 15 1 1 A 33 33 SER H H 33 8.163 8.310 -0.147 1
1 313 . 15 1 1 A 33 33 SER HA H 33 4.213 4.238 -0.025 1
1 316 . 15 1 1 A 33 33 SER C C 33 174.424 174.356 0.068 1
1 317 . 15 1 1 A 33 33 SER CA C 33 58.864 61.396 -2.532 1
1 318 . 15 1 1 A 33 33 SER CB C 33 63.225 63.119 0.106 1
1 319 . 15 1 1 A 33 33 SER N N 33 109.218 115.288 -6.070 1
1 320 . 15 1 1 A 34 34 ASP H H 34 7.179 8.256 -1.077 1
1 321 . 15 1 1 A 34 34 ASP HA H 34 4.912 5.075 -0.163 1
1 324 . 15 1 1 A 34 34 ASP C C 34 171.847 174.283 -2.436 1
1 325 . 15 1 1 A 34 34 ASP CA C 34 52.581 51.199 1.382 1
1 326 . 15 1 1 A 34 34 ASP CB C 34 41.223 41.534 -0.311 1
1 327 . 15 1 1 A 34 34 ASP N N 34 120.601 120.197 0.404 1
1 328 . 15 1 1 A 35 35 PRO HA H 35 4.510 4.547 -0.037 1
1 335 . 15 1 1 A 35 35 PRO C C 35 175.635 176.002 -0.367 1
1 336 . 15 1 1 A 35 35 PRO CA C 35 64.511 63.965 0.546 1
1 337 . 15 1 1 A 35 35 PRO CB C 35 31.729 32.053 -0.324 1
1 340 . 15 1 1 A 36 36 GLN H H 36 7.982 8.350 -0.368 1
1 341 . 15 1 1 A 36 36 GLN HA H 36 4.472 4.488 -0.016 1
1 348 . 15 1 1 A 36 36 GLN C C 36 174.646 174.808 -0.162 1
1 349 . 15 1 1 A 36 36 GLN CA C 36 55.193 55.914 -0.721 1
1 350 . 15 1 1 A 36 36 GLN CB C 36 29.420 29.635 -0.215 1
1 352 . 15 1 1 A 36 36 GLN N N 36 114.393 117.879 -3.486 1
1 354 . 15 1 1 A 37 37 VAL H H 37 7.878 7.619 0.259 1
1 355 . 15 1 1 A 37 37 VAL HA H 37 4.546 4.716 -0.170 1
1 363 . 15 1 1 A 37 37 VAL C C 37 172.485 172.785 -0.300 1
1 364 . 15 1 1 A 37 37 VAL CA C 37 60.987 60.423 0.564 1
1 365 . 15 1 1 A 37 37 VAL CB C 37 35.218 34.721 0.497 1
1 368 . 15 1 1 A 37 37 VAL N N 37 120.432 119.492 0.940 1
1 369 . 15 1 1 A 38 38 LEU H H 38 7.992 8.848 -0.856 1
1 370 . 15 1 1 A 38 38 LEU HA H 38 4.770 5.293 -0.523 1
1 380 . 15 1 1 A 38 38 LEU C C 38 175.193 175.032 0.161 1
1 381 . 15 1 1 A 38 38 LEU CA C 38 53.146 53.021 0.125 1
1 382 . 15 1 1 A 38 38 LEU CB C 38 45.359 45.238 0.121 1
1 386 . 15 1 1 A 38 38 LEU N N 38 123.585 129.421 -5.836 1
1 387 . 15 1 1 A 39 39 HIS H H 39 9.442 8.983 0.459 1
1 388 . 15 1 1 A 39 39 HIS HA H 39 5.212 4.921 0.291 1
1 393 . 15 1 1 A 39 39 HIS C C 39 175.351 175.740 -0.389 1
1 394 . 15 1 1 A 39 39 HIS CA C 39 55.211 55.940 -0.729 1
1 395 . 15 1 1 A 39 39 HIS CB C 39 32.669 30.843 1.826 1
1 398 . 15 1 1 A 39 39 HIS N N 39 126.949 126.535 0.414 1
1 399 . 15 1 1 A 40 40 LEU H H 40 8.424 8.260 0.164 1
1 400 . 15 1 1 A 40 40 LEU HA H 40 5.082 5.289 -0.207 1
1 410 . 15 1 1 A 40 40 LEU C C 40 176.050 175.792 0.258 1
1 411 . 15 1 1 A 40 40 LEU CA C 40 53.552 53.431 0.121 1
1 412 . 15 1 1 A 40 40 LEU CB C 40 44.019 45.543 -1.524 1
1 416 . 15 1 1 A 40 40 LEU N N 40 122.395 122.944 -0.549 1
1 417 . 15 1 1 A 41 41 GLN H H 41 8.972 8.995 -0.023 1
1 418 . 15 1 1 A 41 41 GLN HA H 41 4.723 5.318 -0.595 1
1 425 . 15 1 1 A 41 41 GLN C C 41 175.453 175.813 -0.360 1
1 426 . 15 1 1 A 41 41 GLN CA C 41 54.840 54.190 0.650 1
1 427 . 15 1 1 A 41 41 GLN CB C 41 31.946 32.725 -0.779 1
1 429 . 15 1 1 A 41 41 GLN N N 41 121.779 119.755 2.024 1
1 431 . 15 1 1 A 42 42 GLY H H 42 8.739 8.387 0.352 1
1 432 . 15 1 1 A 42 42 GLY HA2 H 42 4.252 4.250 0.002 1
1 433 . 15 1 1 A 42 42 GLY HA3 H 42 4.200 4.277 -0.077 1
1 434 . 15 1 1 A 42 42 GLY C C 42 173.938 172.893 1.045 1
1 435 . 15 1 1 A 42 42 GLY CA C 42 44.746 45.948 -1.202 1
1 436 . 15 1 1 A 42 42 GLY N N 42 112.892 108.848 4.044 1
1 437 . 15 1 1 A 43 43 GLY H H 43 8.709 7.872 0.837 1
1 438 . 15 1 1 A 43 43 GLY HA2 H 43 4.110 4.325 -0.215 1
1 439 . 15 1 1 A 43 43 GLY HA3 H 43 3.962 4.328 -0.366 1
1 440 . 15 1 1 A 43 43 GLY C C 43 174.713 174.258 0.455 1
1 441 . 15 1 1 A 43 43 GLY CA C 43 45.346 45.635 -0.289 1
1 442 . 15 1 1 A 43 43 GLY N N 43 108.768 112.742 -3.974 1
1 443 . 15 1 1 A 44 44 SER H H 44 8.369 8.764 -0.395 1
1 444 . 15 1 1 A 44 44 SER C C 44 175.312 176.640 -1.328 1
1 445 . 15 1 1 A 44 44 SER CA C 44 58.723 60.660 -1.937 1
1 446 . 15 1 1 A 44 44 SER CB C 44 63.924 63.807 0.117 1
1 447 . 15 1 1 A 44 44 SER N N 44 115.582 117.675 -2.093 1
1 448 . 15 1 1 A 45 45 GLN HA H 45 4.346 4.065 0.281 1
1 455 . 15 1 1 A 45 45 GLN C C 45 175.931 176.535 -0.604 1
1 456 . 15 1 1 A 45 45 GLN CA C 45 56.358 58.775 -2.417 1
1 457 . 15 1 1 A 45 45 GLN CB C 45 28.392 28.155 0.237 1
1 460 . 15 1 1 A 46 46 ASP H H 46 8.053 8.197 -0.144 1
1 461 . 15 1 1 A 46 46 ASP HA H 46 4.615 4.904 -0.289 1
1 464 . 15 1 1 A 46 46 ASP C C 46 176.998 175.237 1.761 1
1 465 . 15 1 1 A 46 46 ASP CA C 46 54.188 53.184 1.004 1
1 466 . 15 1 1 A 46 46 ASP CB C 46 41.099 41.107 -0.008 1
1 467 . 15 1 1 A 46 46 ASP N N 46 119.460 115.569 3.891 1
1 468 . 15 1 1 A 47 47 GLY H H 47 8.311 8.543 -0.232 1
1 469 . 15 1 1 A 47 47 GLY HA2 H 47 3.970 4.073 -0.103 1
1 470 . 15 1 1 A 47 47 GLY HA3 H 47 3.970 4.082 -0.112 1
1 471 . 15 1 1 A 47 47 GLY C C 47 174.725 174.241 0.484 1
1 472 . 15 1 1 A 47 47 GLY CA C 47 45.892 44.214 1.678 1
1 473 . 15 1 1 A 47 47 GLY N N 47 109.753 109.968 -0.215 1
1 474 . 15 1 1 A 48 48 ARG H H 48 8.300 8.779 -0.479 1
1 475 . 15 1 1 A 48 48 ARG HA H 48 4.308 3.827 0.481 1
1 482 . 15 1 1 A 48 48 ARG C C 48 176.347 175.174 1.173 1
1 483 . 15 1 1 A 48 48 ARG CA C 48 56.782 56.940 -0.158 1
1 484 . 15 1 1 A 48 48 ARG CB C 48 30.654 27.783 2.871 1
1 487 . 15 1 1 A 48 48 ARG N N 48 119.526 117.184 2.342 1
1 488 . 15 1 1 A 49 49 LEU H H 49 7.682 7.880 -0.198 1
1 489 . 15 1 1 A 49 49 LEU HA H 49 4.252 4.462 -0.210 1
1 499 . 15 1 1 A 49 49 LEU C C 49 174.707 174.843 -0.136 1
1 500 . 15 1 1 A 49 49 LEU CA C 49 53.040 51.095 1.945 1
1 501 . 15 1 1 A 49 49 LEU CB C 49 41.759 43.191 -1.432 1
1 505 . 15 1 1 A 49 49 LEU N N 49 121.049 119.704 1.345 1
1 506 . 15 1 1 A 50 50 PRO HA H 50 4.392 4.531 -0.139 1
1 513 . 15 1 1 A 50 50 PRO C C 50 175.058 177.863 -2.805 1
1 514 . 15 1 1 A 50 50 PRO CA C 50 62.323 63.217 -0.894 1
1 515 . 15 1 1 A 50 50 PRO CB C 50 31.353 31.803 -0.450 1
1 518 . 15 1 1 A 51 51 ARG H H 51 8.295 8.878 -0.583 1
1 519 . 15 1 1 A 51 51 ARG HA H 51 4.511 4.004 0.507 1
1 526 . 15 1 1 A 51 51 ARG C C 51 177.443 176.358 1.085 1
1 527 . 15 1 1 A 51 51 ARG CA C 51 56.728 58.955 -2.227 1
1 528 . 15 1 1 A 51 51 ARG CB C 51 31.194 30.773 0.421 1
1 531 . 15 1 1 A 51 51 ARG N N 51 119.201 122.058 -2.857 1
1 532 . 15 1 1 A 52 52 THR H H 52 7.372 7.926 -0.554 1
1 533 . 15 1 1 A 52 52 THR HA H 52 4.963 4.718 0.245 1
1 538 . 15 1 1 A 52 52 THR C C 52 173.287 173.090 0.197 1
1 539 . 15 1 1 A 52 52 THR CA C 52 59.411 60.647 -1.236 1
1 540 . 15 1 1 A 52 52 THR CB C 52 71.632 70.837 0.795 1
1 542 . 15 1 1 A 52 52 THR N N 52 109.591 109.705 -0.114 1
1 543 . 15 1 1 A 53 53 ILE H H 53 8.742 8.689 0.053 1
1 544 . 15 1 1 A 53 53 ILE HA H 53 3.845 4.460 -0.615 1
1 554 . 15 1 1 A 53 53 ILE C C 53 173.374 174.712 -1.338 1
1 555 . 15 1 1 A 53 53 ILE CA C 53 57.735 57.664 0.071 1
1 556 . 15 1 1 A 53 53 ILE CB C 53 41.196 38.759 2.437 1
1 560 . 15 1 1 A 53 53 ILE N N 53 123.236 126.102 -2.866 1
1 561 . 15 1 1 A 54 54 PRO HA H 54 4.541 4.610 -0.069 1
1 568 . 15 1 1 A 54 54 PRO CA C 54 61.292 62.245 -0.953 1
1 569 . 15 1 1 A 54 54 PRO CB C 54 30.119 30.505 -0.386 1
1 572 . 15 1 1 A 55 55 LEU H H 55 8.146 8.390 -0.244 1
1 573 . 15 1 1 A 55 55 LEU HA H 55 4.262 3.845 0.417 1
1 583 . 15 1 1 A 55 55 LEU CA C 55 58.660 58.878 -0.218 1
1 584 . 15 1 1 A 55 55 LEU CB C 55 39.660 39.722 -0.062 1
1 588 . 15 1 1 A 55 55 LEU N N 55 127.224 124.109 3.115 1
1 589 . 15 1 1 A 56 56 PRO HA H 56 4.630 4.389 0.241 1
1 596 . 15 1 1 A 56 56 PRO C C 56 177.498 178.007 -0.509 1
1 597 . 15 1 1 A 56 56 PRO CA C 56 65.782 65.162 0.620 1
1 598 . 15 1 1 A 56 56 PRO CB C 56 31.188 31.585 -0.397 1
1 601 . 15 1 1 A 57 57 SER H H 57 7.722 8.131 -0.409 1
1 602 . 15 1 1 A 57 57 SER HA H 57 4.723 4.766 -0.043 1
1 605 . 15 1 1 A 57 57 SER C C 57 174.102 174.148 -0.046 1
1 606 . 15 1 1 A 57 57 SER CA C 57 58.423 58.642 -0.219 1
1 607 . 15 1 1 A 57 57 SER CB C 57 63.924 65.370 -1.446 1
1 608 . 15 1 1 A 57 57 SER N N 57 110.169 111.328 -1.159 1
1 609 . 15 1 1 A 58 58 CYS H H 58 8.002 7.452 0.550 1
1 610 . 15 1 1 A 58 58 CYS HA H 58 5.282 4.369 0.913 1
1 613 . 15 1 1 A 58 58 CYS C C 58 174.525 174.388 0.137 1
1 614 . 15 1 1 A 58 58 CYS CA C 58 59.447 60.175 -0.728 1
1 615 . 15 1 1 A 58 58 CYS CB C 58 29.594 27.978 1.616 1
1 616 . 15 1 1 A 58 58 CYS N N 58 118.902 117.978 0.924 1
1 617 . 15 1 1 A 59 59 LYS H H 59 9.242 8.818 0.424 1
1 618 . 15 1 1 A 59 59 LYS HA H 59 4.777 4.840 -0.063 1
1 627 . 15 1 1 A 59 59 LYS C C 59 175.947 174.868 1.079 1
1 628 . 15 1 1 A 59 59 LYS CA C 59 55.299 54.822 0.477 1
1 629 . 15 1 1 A 59 59 LYS CB C 59 34.561 34.260 0.301 1
1 633 . 15 1 1 A 59 59 LYS N N 59 122.306 124.918 -2.612 1
1 634 . 15 1 1 A 60 60 LEU H H 60 9.030 8.995 0.035 1
1 635 . 15 1 1 A 60 60 LEU HA H 60 5.543 4.732 0.811 1
1 645 . 15 1 1 A 60 60 LEU C C 60 176.239 176.297 -0.058 1
1 646 . 15 1 1 A 60 60 LEU CA C 60 53.958 54.816 -0.858 1
1 647 . 15 1 1 A 60 60 LEU CB C 60 44.454 42.395 2.059 1
1 651 . 15 1 1 A 60 60 LEU N N 60 129.520 128.665 0.855 1
1 652 . 15 1 1 A 61 61 SER H H 61 9.077 8.744 0.333 1
1 653 . 15 1 1 A 61 61 SER HA H 61 4.832 4.999 -0.167 1
1 656 . 15 1 1 A 61 61 SER C C 61 172.173 172.776 -0.603 1
1 657 . 15 1 1 A 61 61 SER CA C 61 57.558 57.689 -0.131 1
1 658 . 15 1 1 A 61 61 SER CB C 61 65.692 66.293 -0.601 1
1 659 . 15 1 1 A 61 61 SER N N 61 117.374 120.683 -3.309 1
1 660 . 15 1 1 A 62 62 VAL H H 62 8.784 8.701 0.083 1
1 661 . 15 1 1 A 62 62 VAL HA H 62 4.927 4.607 0.320 1
1 669 . 15 1 1 A 62 62 VAL C C 62 174.367 174.700 -0.333 1
1 670 . 15 1 1 A 62 62 VAL CA C 62 59.782 60.403 -0.621 1
1 671 . 15 1 1 A 62 62 VAL CB C 62 33.518 32.156 1.362 1
1 674 . 15 1 1 A 62 62 VAL N N 62 119.929 126.751 -6.822 1
1 675 . 15 1 1 A 63 63 PRO HA H 63 4.495 4.650 -0.155 1
1 682 . 15 1 1 A 63 63 PRO CA C 63 62.526 62.326 0.200 1
1 683 . 15 1 1 A 63 63 PRO CB C 63 32.504 32.373 0.131 1
1 686 . 15 1 1 A 64 64 ASP H H 64 8.762 8.603 0.159 1
1 687 . 15 1 1 A 64 64 ASP HA H 64 4.780 4.738 0.042 1
1 690 . 15 1 1 A 64 64 ASP CA C 64 53.231 52.795 0.436 1
1 691 . 15 1 1 A 64 64 ASP CB C 64 41.105 40.090 1.015 1
1 692 . 15 1 1 A 64 64 ASP N N 64 123.527 121.175 2.352 1
1 693 . 15 1 1 A 65 65 PRO HA H 65 4.371 4.533 -0.162 1
1 700 . 15 1 1 A 65 65 PRO C C 65 178.309 177.408 0.901 1
1 701 . 15 1 1 A 65 65 PRO CA C 65 64.829 64.296 0.533 1
1 702 . 15 1 1 A 65 65 PRO CB C 65 32.136 31.931 0.205 1
1 705 . 15 1 1 A 66 66 GLU H H 66 8.890 8.418 0.472 1
1 706 . 15 1 1 A 66 66 GLU HA H 66 4.129 4.125 0.004 1
1 711 . 15 1 1 A 66 66 GLU C C 66 177.222 177.192 0.030 1
1 712 . 15 1 1 A 66 66 GLU CA C 66 57.805 58.924 -1.119 1
1 713 . 15 1 1 A 66 66 GLU CB C 66 29.334 28.810 0.524 1
1 715 . 15 1 1 A 66 66 GLU N N 66 117.225 115.668 1.557 1
1 716 . 15 1 1 A 67 67 GLU H H 67 7.971 7.949 0.022 1
1 717 . 15 1 1 A 67 67 GLU HA H 67 4.136 4.370 -0.234 1
1 722 . 15 1 1 A 67 67 GLU C C 67 176.058 176.405 -0.347 1
1 723 . 15 1 1 A 67 67 GLU CA C 67 57.328 56.928 0.400 1
1 724 . 15 1 1 A 67 67 GLU CB C 67 29.594 30.699 -1.105 1
1 726 . 15 1 1 A 67 67 GLU N N 67 119.516 121.355 -1.839 1
1 727 . 15 1 1 A 68 68 ARG H H 68 8.020 8.528 -0.508 1
1 728 . 15 1 1 A 68 68 ARG HA H 68 4.043 4.640 -0.597 1
1 735 . 15 1 1 A 68 68 ARG C C 68 175.591 175.590 0.001 1
1 736 . 15 1 1 A 68 68 ARG CA C 68 56.075 55.156 0.919 1
1 737 . 15 1 1 A 68 68 ARG CB C 68 28.927 30.304 -1.377 1
1 740 . 15 1 1 A 68 68 ARG N N 68 118.917 120.515 -1.598 1
1 741 . 15 1 1 A 69 69 LEU H H 69 8.188 7.148 1.040 1
1 742 . 15 1 1 A 69 69 LEU HA H 69 4.372 4.454 -0.082 1
1 752 . 15 1 1 A 69 69 LEU C C 69 176.013 177.746 -1.733 1
1 753 . 15 1 1 A 69 69 LEU CA C 69 54.682 54.674 0.008 1
1 754 . 15 1 1 A 69 69 LEU CB C 69 43.238 42.687 0.551 1
1 758 . 15 1 1 A 69 69 LEU N N 69 122.935 121.272 1.663 1
1 759 . 15 1 1 A 70 70 ASP H H 70 8.382 8.622 -0.240 1
1 760 . 15 1 1 A 70 70 ASP HA H 70 4.123 4.577 -0.454 1
1 763 . 15 1 1 A 70 70 ASP C C 70 175.200 175.874 -0.674 1
1 764 . 15 1 1 A 70 70 ASP CA C 70 54.558 55.593 -1.035 1
1 765 . 15 1 1 A 70 70 ASP CB C 70 40.634 41.893 -1.259 1
1 766 . 15 1 1 A 70 70 ASP N N 70 119.400 122.031 -2.631 1
1 767 . 15 1 1 A 71 71 SER H H 71 7.391 7.371 0.020 1
1 768 . 15 1 1 A 71 71 SER HA H 71 4.233 4.327 -0.094 1
1 771 . 15 1 1 A 71 71 SER C C 71 174.294 174.573 -0.279 1
1 772 . 15 1 1 A 71 71 SER CA C 71 58.017 57.672 0.345 1
1 773 . 15 1 1 A 71 71 SER CB C 71 63.430 64.914 -1.484 1
1 774 . 15 1 1 A 71 71 SER N N 71 114.807 113.153 1.654 1
1 775 . 15 1 1 A 72 72 GLY H H 72 7.981 8.356 -0.375 1
1 776 . 15 1 1 A 72 72 GLY HA2 H 72 3.702 3.597 0.105 1
1 777 . 15 1 1 A 72 72 GLY HA3 H 72 3.610 3.709 -0.099 1
1 778 . 15 1 1 A 72 72 GLY C C 72 172.912 173.676 -0.764 1
1 779 . 15 1 1 A 72 72 GLY CA C 72 44.675 45.977 -1.302 1
1 780 . 15 1 1 A 72 72 GLY N N 72 108.675 111.722 -3.047 1
1 781 . 15 1 1 A 73 73 HIS H H 73 8.462 8.003 0.459 1
1 782 . 15 1 1 A 73 73 HIS HA H 73 4.859 5.177 -0.318 1
1 787 . 15 1 1 A 73 73 HIS C C 73 174.804 173.912 0.892 1
1 788 . 15 1 1 A 73 73 HIS CA C 73 54.700 54.557 0.143 1
1 789 . 15 1 1 A 73 73 HIS CB C 73 28.762 30.664 -1.902 1
1 792 . 15 1 1 A 73 73 HIS N N 73 122.843 117.738 5.105 1
1 793 . 15 1 1 A 74 74 VAL H H 74 7.682 8.787 -1.105 1
1 794 . 15 1 1 A 74 74 VAL HA H 74 5.402 4.727 0.675 1
1 802 . 15 1 1 A 74 74 VAL C C 74 176.121 173.667 2.454 1
1 803 . 15 1 1 A 74 74 VAL CA C 74 61.246 60.284 0.962 1
1 804 . 15 1 1 A 74 74 VAL CB C 74 35.383 35.668 -0.285 1
1 807 . 15 1 1 A 74 74 VAL N N 74 120.824 121.750 -0.926 1
1 808 . 15 1 1 A 75 75 TRP H H 75 9.581 8.530 1.051 1
1 809 . 15 1 1 A 75 75 TRP HA H 75 5.342 6.038 -0.696 1
1 818 . 15 1 1 A 75 75 TRP C C 75 171.123 173.567 -2.444 1
1 819 . 15 1 1 A 75 75 TRP CA C 75 57.046 54.833 2.213 1
1 820 . 15 1 1 A 75 75 TRP CB C 75 32.834 33.091 -0.257 1
1 826 . 15 1 1 A 75 75 TRP N N 75 124.656 124.716 -0.060 1
1 828 . 15 1 1 A 76 76 LYS H H 76 9.557 9.359 0.198 1
1 829 . 15 1 1 A 76 76 LYS HA H 76 5.192 4.681 0.511 1
1 838 . 15 1 1 A 76 76 LYS C C 76 174.801 175.168 -0.367 1
1 839 . 15 1 1 A 76 76 LYS CA C 76 54.876 54.904 -0.028 1
1 840 . 15 1 1 A 76 76 LYS CB C 76 36.740 34.674 2.066 1
1 844 . 15 1 1 A 76 76 LYS N N 76 121.724 121.321 0.403 1
1 845 . 15 1 1 A 77 77 LEU H H 77 8.957 9.360 -0.403 1
1 846 . 15 1 1 A 77 77 LEU HA H 77 5.272 5.275 -0.003 1
1 856 . 15 1 1 A 77 77 LEU C C 77 174.927 175.391 -0.464 1
1 857 . 15 1 1 A 77 77 LEU CA C 77 54.046 53.725 0.321 1
1 858 . 15 1 1 A 77 77 LEU CB C 77 46.281 43.136 3.145 1
1 862 . 15 1 1 A 77 77 LEU N N 77 124.578 128.146 -3.568 1
1 863 . 15 1 1 A 78 78 GLN H H 78 8.629 8.966 -0.337 1
1 864 . 15 1 1 A 78 78 GLN HA H 78 5.308 5.468 -0.160 1
1 871 . 15 1 1 A 78 78 GLN C C 78 174.564 174.721 -0.157 1
1 872 . 15 1 1 A 78 78 GLN CA C 78 54.452 54.571 -0.119 1
1 873 . 15 1 1 A 78 78 GLN CB C 78 32.833 31.660 1.173 1
1 875 . 15 1 1 A 78 78 GLN N N 78 121.344 125.283 -3.939 1
1 877 . 15 1 1 A 79 79 TRP H H 79 8.601 8.533 0.068 1
1 878 . 15 1 1 A 79 79 TRP HA H 79 5.003 5.067 -0.064 1
1 887 . 15 1 1 A 79 79 TRP C C 79 173.001 174.171 -1.170 1
1 888 . 15 1 1 A 79 79 TRP CA C 79 56.323 56.661 -0.338 1
1 889 . 15 1 1 A 79 79 TRP CB C 79 32.258 31.536 0.722 1
1 895 . 15 1 1 A 79 79 TRP N N 79 128.274 124.309 3.965 1
1 897 . 15 1 1 A 80 80 ALA H H 80 9.181 9.359 -0.178 1
1 898 . 15 1 1 A 80 80 ALA HA H 80 3.933 3.937 -0.004 1
1 902 . 15 1 1 A 80 80 ALA C C 80 177.360 176.298 1.062 1
1 903 . 15 1 1 A 80 80 ALA CA C 80 54.222 53.253 0.969 1
1 904 . 15 1 1 A 80 80 ALA CB C 80 17.329 17.312 0.017 1
1 905 . 15 1 1 A 80 80 ALA N N 80 126.348 121.611 4.737 1
1 906 . 15 1 1 A 81 81 LYS H H 81 8.163 8.404 -0.241 1
1 907 . 15 1 1 A 81 81 LYS HA H 81 4.290 3.715 0.575 1
1 916 . 15 1 1 A 81 81 LYS C C 81 176.068 174.726 1.342 1
1 917 . 15 1 1 A 81 81 LYS CA C 81 56.305 57.374 -1.069 1
1 918 . 15 1 1 A 81 81 LYS CB C 81 31.312 29.511 1.801 1
1 922 . 15 1 1 A 81 81 LYS N N 81 120.289 107.385 12.904 1
1 923 . 15 1 1 A 82 82 GLN H H 82 8.423 7.631 0.792 1
1 924 . 15 1 1 A 82 82 GLN HA H 82 4.255 4.728 -0.473 1
1 931 . 15 1 1 A 82 82 GLN C C 82 174.996 174.121 0.875 1
1 932 . 15 1 1 A 82 82 GLN CA C 82 54.805 53.702 1.103 1
1 933 . 15 1 1 A 82 82 GLN CB C 82 30.942 32.064 -1.122 1
1 935 . 15 1 1 A 82 82 GLN N N 82 119.918 116.431 3.487 1
1 937 . 15 1 1 A 83 83 SER H H 83 7.683 8.034 -0.351 1
1 938 . 15 1 1 A 83 83 SER HA H 83 4.991 5.502 -0.511 1
1 941 . 15 1 1 A 83 83 SER C C 83 171.947 172.496 -0.549 1
1 942 . 15 1 1 A 83 83 SER CA C 83 57.629 57.521 0.108 1
1 943 . 15 1 1 A 83 83 SER CB C 83 64.664 65.675 -1.011 1
1 944 . 15 1 1 A 83 83 SER N N 83 115.649 112.355 3.294 1
1 945 . 15 1 1 A 84 84 TRP H H 84 8.665 9.009 -0.344 1
1 946 . 15 1 1 A 84 84 TRP HA H 84 4.714 4.947 -0.233 1
1 955 . 15 1 1 A 84 84 TRP C C 84 174.105 174.609 -0.504 1
1 956 . 15 1 1 A 84 84 TRP CA C 84 56.834 56.178 0.656 1
1 957 . 15 1 1 A 84 84 TRP CB C 84 33.368 33.335 0.033 1
1 963 . 15 1 1 A 84 84 TRP N N 84 122.334 124.145 -1.811 1
1 965 . 15 1 1 A 85 85 TYR H H 85 9.220 9.081 0.139 1
1 966 . 15 1 1 A 85 85 TYR HA H 85 5.209 5.190 0.019 1
1 973 . 15 1 1 A 85 85 TYR C C 85 175.136 174.824 0.312 1
1 974 . 15 1 1 A 85 85 TYR CA C 85 56.993 57.403 -0.410 1
1 975 . 15 1 1 A 85 85 TYR CB C 85 41.058 39.994 1.064 1
1 980 . 15 1 1 A 85 85 TYR N N 85 117.934 122.647 -4.713 1
1 981 . 15 1 1 A 86 86 LEU H H 86 8.662 8.837 -0.175 1
1 982 . 15 1 1 A 86 86 LEU HA H 86 5.172 4.901 0.271 1
1 992 . 15 1 1 A 86 86 LEU C C 86 174.454 174.578 -0.124 1
1 993 . 15 1 1 A 86 86 LEU CA C 86 53.587 53.088 0.499 1
1 994 . 15 1 1 A 86 86 LEU CB C 86 43.773 41.879 1.894 1
1 998 . 15 1 1 A 86 86 LEU N N 86 121.945 124.957 -3.012 1
1 999 . 15 1 1 A 87 87 SER H H 87 8.642 8.389 0.253 1
1 1000 . 15 1 1 A 87 87 SER HA H 87 4.995 5.029 -0.034 1
1 1003 . 15 1 1 A 87 87 SER C C 87 173.683 173.525 0.158 1
1 1004 . 15 1 1 A 87 87 SER CA C 87 55.052 56.863 -1.811 1
1 1005 . 15 1 1 A 87 87 SER CB C 87 65.487 64.957 0.530 1
1 1006 . 15 1 1 A 87 87 SER N N 87 111.719 120.830 -9.111 1
1 1007 . 15 1 1 A 88 88 ALA H H 88 8.472 8.672 -0.200 1
1 1008 . 15 1 1 A 88 88 ALA HA H 88 5.184 4.825 0.359 1
1 1012 . 15 1 1 A 88 88 ALA C C 88 178.012 177.930 0.082 1
1 1013 . 15 1 1 A 88 88 ALA CA C 88 49.423 50.120 -0.697 1
1 1014 . 15 1 1 A 88 88 ALA CB C 88 22.919 22.349 0.570 1
1 1015 . 15 1 1 A 88 88 ALA N N 88 126.939 128.999 -2.060 1
1 1016 . 15 1 1 A 89 89 SER H H 89 8.182 8.523 -0.341 1
1 1017 . 15 1 1 A 89 89 SER HA H 89 4.274 4.202 0.072 1
1 1020 . 15 1 1 A 89 89 SER C C 89 174.039 174.305 -0.266 1
1 1021 . 15 1 1 A 89 89 SER CA C 89 60.135 61.970 -1.835 1
1 1022 . 15 1 1 A 89 89 SER CB C 89 63.571 62.989 0.582 1
1 1023 . 15 1 1 A 89 89 SER N N 89 111.359 116.889 -5.530 1
1 1024 . 15 1 1 A 90 90 SER H H 90 7.392 7.690 -0.298 1
1 1025 . 15 1 1 A 90 90 SER HA H 90 4.383 4.390 -0.007 1
1 1028 . 15 1 1 A 90 90 SER C C 90 173.114 173.516 -0.402 1
1 1029 . 15 1 1 A 90 90 SER CA C 90 56.023 56.013 0.010 1
1 1030 . 15 1 1 A 90 90 SER CB C 90 67.108 65.353 1.755 1
1 1031 . 15 1 1 A 90 90 SER N N 90 113.112 111.929 1.183 1
1 1032 . 15 1 1 A 91 91 ALA H H 91 8.532 7.876 0.656 1
1 1033 . 15 1 1 A 91 91 ALA HA H 91 3.763 3.921 -0.158 1
1 1037 . 15 1 1 A 91 91 ALA C C 91 179.816 179.659 0.157 1
1 1038 . 15 1 1 A 91 91 ALA CA C 91 54.699 55.126 -0.427 1
1 1039 . 15 1 1 A 91 91 ALA CB C 91 18.111 17.913 0.198 1
1 1040 . 15 1 1 A 91 91 ALA N N 91 123.767 125.368 -1.601 1
1 1041 . 15 1 1 A 92 92 GLU H H 92 8.766 8.062 0.704 1
1 1042 . 15 1 1 A 92 92 GLU HA H 92 3.942 3.949 -0.007 1
1 1047 . 15 1 1 A 92 92 GLU C C 92 179.568 179.119 0.449 1
1 1048 . 15 1 1 A 92 92 GLU CA C 92 60.206 59.339 0.867 1
1 1049 . 15 1 1 A 92 92 GLU CB C 92 28.721 29.163 -0.442 1
1 1051 . 15 1 1 A 92 92 GLU N N 92 118.712 118.521 0.191 1
1 1052 . 15 1 1 A 93 93 LEU H H 93 7.852 8.017 -0.165 1
1 1053 . 15 1 1 A 93 93 LEU HA H 93 4.274 4.154 0.120 1
1 1063 . 15 1 1 A 93 93 LEU C C 93 178.805 178.608 0.197 1
1 1064 . 15 1 1 A 93 93 LEU CA C 93 57.382 57.167 0.215 1
1 1065 . 15 1 1 A 93 93 LEU CB C 93 43.115 41.528 1.587 1
1 1069 . 15 1 1 A 93 93 LEU N N 93 121.212 121.442 -0.230 1
1 1070 . 15 1 1 A 94 94 GLN H H 94 8.080 8.378 -0.298 1
1 1071 . 15 1 1 A 94 94 GLN HA H 94 3.843 4.295 -0.452 1
1 1078 . 15 1 1 A 94 94 GLN C C 94 176.960 178.032 -1.072 1
1 1079 . 15 1 1 A 94 94 GLN CA C 94 59.694 59.210 0.484 1
1 1080 . 15 1 1 A 94 94 GLN CB C 94 28.063 28.650 -0.587 1
1 1082 . 15 1 1 A 94 94 GLN N N 94 120.439 119.227 1.212 1
1 1084 . 15 1 1 A 95 95 GLN H H 95 8.293 7.866 0.427 1
1 1085 . 15 1 1 A 95 95 GLN HA H 95 3.779 4.085 -0.306 1
1 1092 . 15 1 1 A 95 95 GLN C C 95 177.938 178.166 -0.228 1
1 1093 . 15 1 1 A 95 95 GLN CA C 95 59.005 58.729 0.276 1
1 1094 . 15 1 1 A 95 95 GLN CB C 95 27.610 28.540 -0.930 1
1 1096 . 15 1 1 A 95 95 GLN N N 95 117.408 118.923 -1.515 1
1 1098 . 15 1 1 A 96 96 GLN H H 96 7.731 7.861 -0.130 1
1 1099 . 15 1 1 A 96 96 GLN HA H 96 3.966 3.987 -0.021 1
1 1106 . 15 1 1 A 96 96 GLN C C 96 179.685 177.391 2.294 1
1 1107 . 15 1 1 A 96 96 GLN CA C 96 58.987 58.012 0.975 1
1 1108 . 15 1 1 A 96 96 GLN CB C 96 28.433 27.879 0.554 1
1 1110 . 15 1 1 A 96 96 GLN N N 96 119.621 117.064 2.557 1
1 1112 . 15 1 1 A 97 97 TRP H H 97 8.410 7.202 1.208 1
1 1113 . 15 1 1 A 97 97 TRP HA H 97 3.792 4.429 -0.637 1
1 1122 . 15 1 1 A 97 97 TRP C C 97 178.515 178.564 -0.049 1
1 1123 . 15 1 1 A 97 97 TRP CA C 97 61.670 59.514 2.156 1
1 1124 . 15 1 1 A 97 97 TRP CB C 97 29.972 29.660 0.312 1
1 1130 . 15 1 1 A 97 97 TRP N N 97 121.370 119.700 1.670 1
1 1132 . 15 1 1 A 98 98 LEU H H 98 8.505 7.948 0.557 1
1 1133 . 15 1 1 A 98 98 LEU HA H 98 3.485 3.473 0.012 1
1 1143 . 15 1 1 A 98 98 LEU C C 98 180.194 178.766 1.428 1
1 1144 . 15 1 1 A 98 98 LEU CA C 98 58.706 57.861 0.845 1
1 1145 . 15 1 1 A 98 98 LEU CB C 98 41.141 41.363 -0.222 1
1 1149 . 15 1 1 A 98 98 LEU N N 98 119.038 120.054 -1.016 1
1 1150 . 15 1 1 A 99 99 GLU H H 99 8.241 8.386 -0.145 1
1 1151 . 15 1 1 A 99 99 GLU HA H 99 3.927 4.053 -0.126 1
1 1156 . 15 1 1 A 99 99 GLU C C 99 179.082 178.865 0.217 1
1 1157 . 15 1 1 A 99 99 GLU CA C 99 59.587 58.936 0.651 1
1 1158 . 15 1 1 A 99 99 GLU CB C 99 29.296 29.316 -0.020 1
1 1160 . 15 1 1 A 99 99 GLU N N 99 119.886 117.663 2.223 1
1 1161 . 15 1 1 A 100 100 THR H H 100 7.780 7.513 0.267 1
1 1162 . 15 1 1 A 100 100 THR HA H 100 3.862 3.956 -0.094 1
1 1167 . 15 1 1 A 100 100 THR C C 100 176.899 176.518 0.381 1
1 1168 . 15 1 1 A 100 100 THR CA C 100 67.088 67.237 -0.149 1
1 1169 . 15 1 1 A 100 100 THR CB C 100 68.178 67.824 0.354 1
1 1171 . 15 1 1 A 100 100 THR N N 100 116.913 116.960 -0.047 1
1 1172 . 15 1 1 A 101 101 LEU H H 101 9.159 8.262 0.897 1
1 1173 . 15 1 1 A 101 101 LEU HA H 101 3.993 3.799 0.194 1
1 1183 . 15 1 1 A 101 101 LEU C C 101 178.416 178.662 -0.246 1
1 1184 . 15 1 1 A 101 101 LEU CA C 101 58.017 58.311 -0.294 1
1 1185 . 15 1 1 A 101 101 LEU CB C 101 42.004 41.698 0.306 1
1 1189 . 15 1 1 A 101 101 LEU N N 101 121.065 121.588 -0.523 1
1 1190 . 15 1 1 A 102 102 SER H H 102 7.978 8.421 -0.443 1
1 1191 . 15 1 1 A 102 102 SER HA H 102 4.094 4.052 0.042 1
1 1194 . 15 1 1 A 102 102 SER C C 102 176.370 176.193 0.177 1
1 1195 . 15 1 1 A 102 102 SER CA C 102 61.794 62.085 -0.291 1
1 1196 . 15 1 1 A 102 102 SER CB C 102 62.855 62.827 0.028 1
1 1197 . 15 1 1 A 102 102 SER N N 102 112.923 113.595 -0.672 1
1 1198 . 15 1 1 A 103 103 THR H H 103 7.683 8.229 -0.546 1
1 1199 . 15 1 1 A 103 103 THR HA H 103 4.020 3.875 0.145 1
1 1204 . 15 1 1 A 103 103 THR C C 103 176.061 176.971 -0.910 1
1 1205 . 15 1 1 A 103 103 THR CA C 103 65.412 66.644 -1.232 1
1 1206 . 15 1 1 A 103 103 THR CB C 103 68.918 68.403 0.515 1
1 1208 . 15 1 1 A 103 103 THR N N 103 116.420 116.110 0.310 1
1 1209 . 15 1 1 A 104 104 ALA H H 104 7.760 8.081 -0.321 1
1 1210 . 15 1 1 A 104 104 ALA HA H 104 4.272 4.103 0.169 1
1 1214 . 15 1 1 A 104 104 ALA C C 104 178.160 178.819 -0.659 1
1 1215 . 15 1 1 A 104 104 ALA CA C 104 54.011 54.776 -0.765 1
1 1216 . 15 1 1 A 104 104 ALA CB C 104 20.155 18.390 1.765 1
1 1217 . 15 1 1 A 104 104 ALA N N 104 123.981 122.431 1.550 1
1 1218 . 15 1 1 A 105 105 ALA H H 105 7.824 8.123 -0.299 1
1 1219 . 15 1 1 A 105 105 ALA HA H 105 4.092 4.478 -0.386 1
1 1223 . 15 1 1 A 105 105 ALA C C 105 177.657 176.998 0.659 1
1 1224 . 15 1 1 A 105 105 ALA CA C 105 53.058 51.532 1.526 1
1 1225 . 15 1 1 A 105 105 ALA CB C 105 19.067 18.887 0.180 1
1 1226 . 15 1 1 A 105 105 ALA N N 105 118.227 119.143 -0.916 1
1 1227 . 15 1 1 A 106 106 HIS H H 106 7.675 7.654 0.021 1
1 1228 . 15 1 1 A 106 106 HIS HA H 106 4.703 4.499 0.204 1
1 1233 . 15 1 1 A 106 106 HIS C C 106 175.296 175.216 0.080 1
1 1234 . 15 1 1 A 106 106 HIS CA C 106 56.287 56.342 -0.055 1
1 1235 . 15 1 1 A 106 106 HIS CB C 106 30.407 30.127 0.280 1
1 1238 . 15 1 1 A 106 106 HIS N N 106 115.860 116.648 -0.788 1
1 1239 . 15 1 1 A 107 107 SER H H 107 8.015 8.321 -0.306 1
1 1240 . 15 1 1 A 107 107 SER HA H 107 4.560 3.991 0.569 1
1 1243 . 15 1 1 A 107 107 SER C C 107 174.345 174.484 -0.139 1
1 1244 . 15 1 1 A 107 107 SER CA C 107 58.546 60.240 -1.694 1
1 1245 . 15 1 1 A 107 107 SER CB C 107 64.130 63.342 0.788 1
1 1246 . 15 1 1 A 107 107 SER N N 107 116.310 118.440 -2.130 1
1 1247 . 15 1 1 A 108 108 GLY H H 108 8.282 8.146 0.136 1
1 1248 . 15 1 1 A 108 108 GLY HA2 H 108 4.213 3.924 0.289 1
1 1249 . 15 1 1 A 108 108 GLY HA3 H 108 4.042 4.014 0.028 1
1 1250 . 15 1 1 A 108 108 GLY C C 108 171.750 173.029 -1.279 1
1 1251 . 15 1 1 A 108 108 GLY CA C 108 44.640 45.953 -1.313 1
1 1252 . 15 1 1 A 108 108 GLY N N 108 110.511 112.007 -1.496 1
1 1253 . 15 1 1 A 109 109 PRO HA H 109 4.497 4.481 0.016 1
1 1260 . 15 1 1 A 109 109 PRO C C 109 177.419 175.222 2.197 1
1 1261 . 15 1 1 A 109 109 PRO CA C 109 63.241 63.098 0.143 1
1 1262 . 15 1 1 A 109 109 PRO CB C 109 32.264 32.547 -0.283 1
1 1265 . 15 1 1 A 110 110 SER H H 110 8.558 8.813 -0.255 1
1 1266 . 15 1 1 A 110 110 SER C C 110 174.715 172.608 2.107 1
1 1267 . 15 1 1 A 110 110 SER CA C 110 58.335 56.846 1.489 1
1 1268 . 15 1 1 A 110 110 SER CB C 110 63.759 65.559 -1.800 1
1 1269 . 15 1 1 A 110 110 SER N N 110 116.470 117.103 -0.633 1
1 1270 . 15 1 1 A 111 111 SER H H 111 8.357 8.736 -0.379 1
1 1271 . 15 1 1 A 111 111 SER C C 111 173.931 175.315 -1.384 1
1 1272 . 15 1 1 A 111 111 SER CA C 111 58.335 57.408 0.927 1
1 1 . 16 1 1 A 8 8 SER HA H 8 5.012 5.201 -0.189 1
1 4 . 16 1 1 A 8 8 SER CA C 8 58.166 57.439 0.727 1
1 5 . 16 1 1 A 8 8 SER CB C 8 64.582 66.470 -1.888 1
1 6 . 16 1 1 A 9 9 LEU H H 9 9.253 8.131 1.122 1
1 7 . 16 1 1 A 9 9 LEU HA H 9 4.091 3.979 0.112 1
1 17 . 16 1 1 A 9 9 LEU C C 9 176.799 176.904 -0.105 1
1 18 . 16 1 1 A 9 9 LEU CA C 9 57.523 57.527 -0.004 1
1 19 . 16 1 1 A 9 9 LEU CB C 9 42.703 42.145 0.558 1
1 23 . 16 1 1 A 9 9 LEU N N 9 127.432 126.061 1.371 1
1 24 . 16 1 1 A 10 10 LEU H H 10 6.827 7.479 -0.652 1
1 25 . 16 1 1 A 10 10 LEU HA H 10 4.201 4.426 -0.225 1
1 35 . 16 1 1 A 10 10 LEU C C 10 173.779 174.106 -0.327 1
1 36 . 16 1 1 A 10 10 LEU CA C 10 54.399 54.279 0.120 1
1 37 . 16 1 1 A 10 10 LEU CB C 10 45.006 44.720 0.286 1
1 41 . 16 1 1 A 10 10 LEU N N 10 116.105 116.867 -0.762 1
1 42 . 16 1 1 A 11 11 CYS H H 11 7.989 8.933 -0.944 1
1 43 . 16 1 1 A 11 11 CYS HA H 11 5.743 5.622 0.121 1
1 46 . 16 1 1 A 11 11 CYS C C 11 172.654 173.324 -0.670 1
1 47 . 16 1 1 A 11 11 CYS CA C 11 55.546 57.086 -1.540 1
1 48 . 16 1 1 A 11 11 CYS CB C 11 31.333 31.949 -0.616 1
1 49 . 16 1 1 A 11 11 CYS N N 11 117.939 123.905 -5.966 1
1 50 . 16 1 1 A 12 12 GLY H H 12 8.479 7.490 0.989 1
1 51 . 16 1 1 A 12 12 GLY HA2 H 12 4.419 3.744 0.675 1
1 52 . 16 1 1 A 12 12 GLY HA3 H 12 2.832 4.074 -1.242 1
1 53 . 16 1 1 A 12 12 GLY C C 12 168.720 171.327 -2.607 1
1 54 . 16 1 1 A 12 12 GLY CA C 12 44.710 44.932 -0.222 1
1 55 . 16 1 1 A 12 12 GLY N N 12 109.046 107.021 2.025 1
1 56 . 16 1 1 A 13 13 PRO HA H 13 5.163 4.478 0.685 1
1 63 . 16 1 1 A 13 13 PRO C C 13 177.501 175.296 2.205 1
1 64 . 16 1 1 A 13 13 PRO CA C 13 62.182 63.205 -1.023 1
1 65 . 16 1 1 A 13 13 PRO CB C 13 32.587 32.068 0.519 1
1 68 . 16 1 1 A 14 14 LEU H H 14 8.630 8.390 0.240 1
1 69 . 16 1 1 A 14 14 LEU HA H 14 4.764 5.112 -0.348 1
1 79 . 16 1 1 A 14 14 LEU C C 14 175.698 174.433 1.265 1
1 80 . 16 1 1 A 14 14 LEU CA C 14 53.975 53.089 0.886 1
1 81 . 16 1 1 A 14 14 LEU CB C 14 48.936 46.041 2.895 1
1 85 . 16 1 1 A 14 14 LEU N N 14 122.246 124.190 -1.944 1
1 86 . 16 1 1 A 15 15 ARG H H 15 8.498 8.000 0.498 1
1 87 . 16 1 1 A 15 15 ARG HA H 15 5.421 5.273 0.148 1
1 95 . 16 1 1 A 15 15 ARG C C 15 174.664 174.863 -0.199 1
1 96 . 16 1 1 A 15 15 ARG CA C 15 54.858 54.480 0.378 1
1 97 . 16 1 1 A 15 15 ARG CB C 15 34.085 33.670 0.415 1
1 100 . 16 1 1 A 15 15 ARG N N 15 118.593 122.999 -4.406 1
1 102 . 16 1 1 A 16 16 LEU H H 16 9.244 8.885 0.359 1
1 103 . 16 1 1 A 16 16 LEU HA H 16 5.662 5.708 -0.046 1
1 113 . 16 1 1 A 16 16 LEU C C 16 176.872 174.741 2.131 1
1 114 . 16 1 1 A 16 16 LEU CA C 16 53.746 53.700 0.046 1
1 115 . 16 1 1 A 16 16 LEU CB C 16 47.803 46.815 0.988 1
1 119 . 16 1 1 A 16 16 LEU N N 16 123.893 125.038 -1.145 1
1 120 . 16 1 1 A 17 17 SER H H 17 8.982 8.443 0.539 1
1 121 . 16 1 1 A 17 17 SER HA H 17 4.484 5.101 -0.617 1
1 124 . 16 1 1 A 17 17 SER C C 17 173.790 173.027 0.763 1
1 125 . 16 1 1 A 17 17 SER CA C 17 57.081 56.765 0.316 1
1 126 . 16 1 1 A 17 17 SER CB C 17 64.487 65.099 -0.612 1
1 127 . 16 1 1 A 17 17 SER N N 17 117.455 119.183 -1.728 1
1 128 . 16 1 1 A 18 18 GLU H H 18 9.102 8.632 0.470 1
1 129 . 16 1 1 A 18 18 GLU HA H 18 3.832 4.628 -0.796 1
1 134 . 16 1 1 A 18 18 GLU C C 18 176.185 176.374 -0.189 1
1 135 . 16 1 1 A 18 18 GLU CA C 18 58.793 55.769 3.024 1
1 136 . 16 1 1 A 18 18 GLU CB C 18 30.037 30.473 -0.436 1
1 138 . 16 1 1 A 18 18 GLU N N 18 129.354 124.982 4.372 1
1 139 . 16 1 1 A 19 19 SER H H 19 7.792 9.341 -1.549 1
1 140 . 16 1 1 A 19 19 SER HA H 19 4.650 4.251 0.399 1
1 143 . 16 1 1 A 19 19 SER C C 19 175.321 173.983 1.338 1
1 144 . 16 1 1 A 19 19 SER CA C 19 57.699 59.235 -1.536 1
1 145 . 16 1 1 A 19 19 SER CB C 19 65.816 61.703 4.113 1
1 146 . 16 1 1 A 19 19 SER N N 19 108.812 121.427 -12.615 1
1 147 . 16 1 1 A 20 20 GLY H H 20 8.376 7.999 0.377 1
1 148 . 16 1 1 A 20 20 GLY HA2 H 20 3.931 3.153 0.778 1
1 149 . 16 1 1 A 20 20 GLY HA3 H 20 2.690 3.503 -0.813 1
1 150 . 16 1 1 A 20 20 GLY C C 20 172.644 174.085 -1.441 1
1 151 . 16 1 1 A 20 20 GLY CA C 20 44.746 46.529 -1.783 1
1 152 . 16 1 1 A 20 20 GLY N N 20 111.458 105.334 6.124 1
1 153 . 16 1 1 A 21 21 GLU H H 21 7.522 7.165 0.357 1
1 154 . 16 1 1 A 21 21 GLU HA H 21 4.274 4.511 -0.237 1
1 159 . 16 1 1 A 21 21 GLU C C 21 176.266 175.676 0.590 1
1 160 . 16 1 1 A 21 21 GLU CA C 21 58.069 57.538 0.531 1
1 161 . 16 1 1 A 21 21 GLU CB C 21 31.024 32.455 -1.431 1
1 163 . 16 1 1 A 21 21 GLU N N 21 119.071 119.190 -0.119 1
1 164 . 16 1 1 A 22 22 THR H H 22 7.436 7.368 0.068 1
1 165 . 16 1 1 A 22 22 THR HA H 22 4.618 4.786 -0.168 1
1 170 . 16 1 1 A 22 22 THR C C 22 173.662 172.707 0.955 1
1 171 . 16 1 1 A 22 22 THR CA C 22 60.682 60.295 0.387 1
1 172 . 16 1 1 A 22 22 THR CB C 22 70.504 71.469 -0.965 1
1 174 . 16 1 1 A 22 22 THR N N 22 111.176 108.920 2.256 1
1 175 . 16 1 1 A 23 23 TRP H H 23 9.121 9.088 0.033 1
1 176 . 16 1 1 A 23 23 TRP HA H 23 4.983 5.638 -0.655 1
1 185 . 16 1 1 A 23 23 TRP C C 23 175.888 176.156 -0.268 1
1 186 . 16 1 1 A 23 23 TRP CA C 23 56.570 56.129 0.441 1
1 187 . 16 1 1 A 23 23 TRP CB C 23 32.176 30.933 1.243 1
1 193 . 16 1 1 A 23 23 TRP N N 23 127.096 125.627 1.469 1
1 195 . 16 1 1 A 24 24 SER H H 24 9.273 9.123 0.150 1
1 196 . 16 1 1 A 24 24 SER HA H 24 4.948 5.150 -0.202 1
1 199 . 16 1 1 A 24 24 SER C C 24 173.268 172.353 0.915 1
1 200 . 16 1 1 A 24 24 SER CA C 24 57.346 57.425 -0.079 1
1 201 . 16 1 1 A 24 24 SER CB C 24 65.445 66.353 -0.908 1
1 202 . 16 1 1 A 24 24 SER N N 24 118.031 117.762 0.269 1
1 203 . 16 1 1 A 25 25 GLU H H 25 8.990 8.729 0.261 1
1 204 . 16 1 1 A 25 25 GLU HA H 25 4.737 4.728 0.009 1
1 209 . 16 1 1 A 25 25 GLU C C 25 176.246 176.392 -0.146 1
1 210 . 16 1 1 A 25 25 GLU CA C 25 57.170 56.385 0.785 1
1 211 . 16 1 1 A 25 25 GLU CB C 25 30.202 30.731 -0.529 1
1 213 . 16 1 1 A 25 25 GLU N N 25 125.088 124.859 0.229 1
1 214 . 16 1 1 A 26 26 VAL H H 26 9.012 8.966 0.046 1
1 215 . 16 1 1 A 26 26 VAL HA H 26 5.002 5.065 -0.063 1
1 223 . 16 1 1 A 26 26 VAL C C 26 174.304 173.533 0.771 1
1 224 . 16 1 1 A 26 26 VAL CA C 26 58.917 59.147 -0.230 1
1 225 . 16 1 1 A 26 26 VAL CB C 26 35.753 36.407 -0.654 1
1 228 . 16 1 1 A 26 26 VAL N N 26 118.076 118.955 -0.879 1
1 229 . 16 1 1 A 27 27 TRP H H 27 8.880 9.122 -0.242 1
1 230 . 16 1 1 A 27 27 TRP HA H 27 4.814 5.579 -0.765 1
1 239 . 16 1 1 A 27 27 TRP C C 27 174.255 174.137 0.118 1
1 240 . 16 1 1 A 27 27 TRP CA C 27 57.117 55.249 1.868 1
1 241 . 16 1 1 A 27 27 TRP CB C 27 30.325 33.027 -2.702 1
1 247 . 16 1 1 A 27 27 TRP N N 27 122.873 124.660 -1.787 1
1 249 . 16 1 1 A 28 28 ALA H H 28 8.482 7.974 0.508 1
1 250 . 16 1 1 A 28 28 ALA HA H 28 5.329 5.493 -0.164 1
1 254 . 16 1 1 A 28 28 ALA C C 28 175.519 175.739 -0.220 1
1 255 . 16 1 1 A 28 28 ALA CA C 28 49.670 49.847 -0.177 1
1 256 . 16 1 1 A 28 28 ALA CB C 28 23.827 22.304 1.523 1
1 257 . 16 1 1 A 28 28 ALA N N 28 133.586 129.890 3.696 1
1 258 . 16 1 1 A 29 29 ALA H H 29 8.948 8.793 0.155 1
1 259 . 16 1 1 A 29 29 ALA HA H 29 5.160 5.205 -0.045 1
1 263 . 16 1 1 A 29 29 ALA C C 29 175.956 176.063 -0.107 1
1 264 . 16 1 1 A 29 29 ALA CA C 29 52.210 51.867 0.343 1
1 265 . 16 1 1 A 29 29 ALA CB C 29 23.697 23.350 0.347 1
1 266 . 16 1 1 A 29 29 ALA N N 29 119.901 122.843 -2.942 1
1 267 . 16 1 1 A 30 30 ILE H H 30 8.245 8.343 -0.098 1
1 268 . 16 1 1 A 30 30 ILE HA H 30 5.313 4.629 0.684 1
1 278 . 16 1 1 A 30 30 ILE C C 30 174.004 174.361 -0.357 1
1 279 . 16 1 1 A 30 30 ILE CA C 30 57.699 57.214 0.485 1
1 280 . 16 1 1 A 30 30 ILE CB C 30 40.565 40.217 0.348 1
1 284 . 16 1 1 A 30 30 ILE N N 30 122.332 121.003 1.329 1
1 285 . 16 1 1 A 31 31 PRO HA H 31 4.655 4.690 -0.035 1
1 292 . 16 1 1 A 31 31 PRO C C 31 177.566 177.881 -0.315 1
1 293 . 16 1 1 A 31 31 PRO CA C 31 62.464 62.381 0.083 1
1 294 . 16 1 1 A 31 31 PRO CB C 31 31.929 31.411 0.518 1
1 297 . 16 1 1 A 32 32 MET H H 32 8.572 8.601 -0.029 1
1 298 . 16 1 1 A 32 32 MET HA H 32 3.997 4.084 -0.087 1
1 306 . 16 1 1 A 32 32 MET C C 32 177.770 178.262 -0.492 1
1 307 . 16 1 1 A 32 32 MET CA C 32 58.158 58.669 -0.511 1
1 308 . 16 1 1 A 32 32 MET CB C 32 31.929 32.160 -0.231 1
1 311 . 16 1 1 A 32 32 MET N N 32 121.580 124.229 -2.649 1
1 312 . 16 1 1 A 33 33 SER H H 33 8.163 8.229 -0.066 1
1 313 . 16 1 1 A 33 33 SER HA H 33 4.213 4.294 -0.081 1
1 316 . 16 1 1 A 33 33 SER C C 33 174.424 174.285 0.139 1
1 317 . 16 1 1 A 33 33 SER CA C 33 58.864 61.430 -2.566 1
1 318 . 16 1 1 A 33 33 SER CB C 33 63.225 63.019 0.206 1
1 319 . 16 1 1 A 33 33 SER N N 33 109.218 115.935 -6.717 1
1 320 . 16 1 1 A 34 34 ASP H H 34 7.179 8.129 -0.950 1
1 321 . 16 1 1 A 34 34 ASP HA H 34 4.912 5.089 -0.177 1
1 324 . 16 1 1 A 34 34 ASP C C 34 171.847 174.207 -2.360 1
1 325 . 16 1 1 A 34 34 ASP CA C 34 52.581 51.250 1.331 1
1 326 . 16 1 1 A 34 34 ASP CB C 34 41.223 41.431 -0.208 1
1 327 . 16 1 1 A 34 34 ASP N N 34 120.601 120.544 0.057 1
1 328 . 16 1 1 A 35 35 PRO HA H 35 4.510 4.520 -0.010 1
1 335 . 16 1 1 A 35 35 PRO C C 35 175.635 176.011 -0.376 1
1 336 . 16 1 1 A 35 35 PRO CA C 35 64.511 63.995 0.516 1
1 337 . 16 1 1 A 35 35 PRO CB C 35 31.729 32.127 -0.398 1
1 340 . 16 1 1 A 36 36 GLN H H 36 7.982 8.226 -0.244 1
1 341 . 16 1 1 A 36 36 GLN HA H 36 4.472 4.462 0.010 1
1 348 . 16 1 1 A 36 36 GLN C C 36 174.646 174.714 -0.068 1
1 349 . 16 1 1 A 36 36 GLN CA C 36 55.193 55.904 -0.711 1
1 350 . 16 1 1 A 36 36 GLN CB C 36 29.420 29.664 -0.244 1
1 352 . 16 1 1 A 36 36 GLN N N 36 114.393 118.076 -3.683 1
1 354 . 16 1 1 A 37 37 VAL H H 37 7.878 7.662 0.216 1
1 355 . 16 1 1 A 37 37 VAL HA H 37 4.546 4.879 -0.333 1
1 363 . 16 1 1 A 37 37 VAL C C 37 172.485 173.134 -0.649 1
1 364 . 16 1 1 A 37 37 VAL CA C 37 60.987 60.420 0.567 1
1 365 . 16 1 1 A 37 37 VAL CB C 37 35.218 34.903 0.315 1
1 368 . 16 1 1 A 37 37 VAL N N 37 120.432 119.449 0.983 1
1 369 . 16 1 1 A 38 38 LEU H H 38 7.992 8.803 -0.811 1
1 370 . 16 1 1 A 38 38 LEU HA H 38 4.770 5.083 -0.313 1
1 380 . 16 1 1 A 38 38 LEU C C 38 175.193 175.197 -0.004 1
1 381 . 16 1 1 A 38 38 LEU CA C 38 53.146 53.256 -0.110 1
1 382 . 16 1 1 A 38 38 LEU CB C 38 45.359 44.083 1.276 1
1 386 . 16 1 1 A 38 38 LEU N N 38 123.585 130.488 -6.903 1
1 387 . 16 1 1 A 39 39 HIS H H 39 9.442 8.874 0.568 1
1 388 . 16 1 1 A 39 39 HIS HA H 39 5.212 4.896 0.316 1
1 393 . 16 1 1 A 39 39 HIS C C 39 175.351 175.655 -0.304 1
1 394 . 16 1 1 A 39 39 HIS CA C 39 55.211 56.317 -1.106 1
1 395 . 16 1 1 A 39 39 HIS CB C 39 32.669 30.997 1.672 1
1 398 . 16 1 1 A 39 39 HIS N N 39 126.949 126.326 0.623 1
1 399 . 16 1 1 A 40 40 LEU H H 40 8.424 8.673 -0.249 1
1 400 . 16 1 1 A 40 40 LEU HA H 40 5.082 5.249 -0.167 1
1 410 . 16 1 1 A 40 40 LEU C C 40 176.050 175.826 0.224 1
1 411 . 16 1 1 A 40 40 LEU CA C 40 53.552 53.434 0.118 1
1 412 . 16 1 1 A 40 40 LEU CB C 40 44.019 45.626 -1.607 1
1 416 . 16 1 1 A 40 40 LEU N N 40 122.395 123.176 -0.781 1
1 417 . 16 1 1 A 41 41 GLN H H 41 8.972 9.190 -0.218 1
1 418 . 16 1 1 A 41 41 GLN HA H 41 4.723 5.072 -0.349 1
1 425 . 16 1 1 A 41 41 GLN C C 41 175.453 175.315 0.138 1
1 426 . 16 1 1 A 41 41 GLN CA C 41 54.840 54.490 0.350 1
1 427 . 16 1 1 A 41 41 GLN CB C 41 31.946 32.370 -0.424 1
1 429 . 16 1 1 A 41 41 GLN N N 41 121.779 121.716 0.063 1
1 431 . 16 1 1 A 42 42 GLY H H 42 8.739 8.716 0.023 1
1 432 . 16 1 1 A 42 42 GLY HA2 H 42 4.252 4.149 0.103 1
1 433 . 16 1 1 A 42 42 GLY HA3 H 42 4.200 4.181 0.019 1
1 434 . 16 1 1 A 42 42 GLY C C 42 173.938 175.416 -1.478 1
1 435 . 16 1 1 A 42 42 GLY CA C 42 44.746 45.682 -0.936 1
1 436 . 16 1 1 A 42 42 GLY N N 42 112.892 113.938 -1.046 1
1 437 . 16 1 1 A 43 43 GLY H H 43 8.709 8.680 0.029 1
1 438 . 16 1 1 A 43 43 GLY HA2 H 43 4.110 3.933 0.177 1
1 439 . 16 1 1 A 43 43 GLY HA3 H 43 3.962 3.934 0.028 1
1 440 . 16 1 1 A 43 43 GLY C C 43 174.713 173.879 0.834 1
1 441 . 16 1 1 A 43 43 GLY CA C 43 45.346 46.276 -0.930 1
1 442 . 16 1 1 A 43 43 GLY N N 43 108.768 108.312 0.456 1
1 443 . 16 1 1 A 44 44 SER H H 44 8.369 7.965 0.404 1
1 444 . 16 1 1 A 44 44 SER C C 44 175.312 174.271 1.041 1
1 445 . 16 1 1 A 44 44 SER CA C 44 58.723 57.368 1.355 1
1 446 . 16 1 1 A 44 44 SER CB C 44 63.924 66.994 -3.070 1
1 447 . 16 1 1 A 44 44 SER N N 44 115.582 116.035 -0.453 1
1 448 . 16 1 1 A 45 45 GLN HA H 45 4.346 4.054 0.292 1
1 455 . 16 1 1 A 45 45 GLN C C 45 175.931 176.019 -0.088 1
1 456 . 16 1 1 A 45 45 GLN CA C 45 56.358 59.104 -2.746 1
1 457 . 16 1 1 A 45 45 GLN CB C 45 28.392 28.587 -0.195 1
1 460 . 16 1 1 A 46 46 ASP H H 46 8.053 7.917 0.136 1
1 461 . 16 1 1 A 46 46 ASP HA H 46 4.615 4.638 -0.023 1
1 464 . 16 1 1 A 46 46 ASP C C 46 176.998 177.335 -0.337 1
1 465 . 16 1 1 A 46 46 ASP CA C 46 54.188 54.437 -0.249 1
1 466 . 16 1 1 A 46 46 ASP CB C 46 41.099 41.220 -0.121 1
1 467 . 16 1 1 A 46 46 ASP N N 46 119.460 118.822 0.638 1
1 468 . 16 1 1 A 47 47 GLY H H 47 8.311 8.799 -0.488 1
1 469 . 16 1 1 A 47 47 GLY HA2 H 47 3.970 3.912 0.058 1
1 470 . 16 1 1 A 47 47 GLY HA3 H 47 3.970 3.918 0.052 1
1 471 . 16 1 1 A 47 47 GLY C C 47 174.725 175.094 -0.369 1
1 472 . 16 1 1 A 47 47 GLY CA C 47 45.892 45.609 0.283 1
1 473 . 16 1 1 A 47 47 GLY N N 47 109.753 112.946 -3.193 1
1 474 . 16 1 1 A 48 48 ARG H H 48 8.300 7.931 0.369 1
1 475 . 16 1 1 A 48 48 ARG HA H 48 4.308 4.086 0.222 1
1 482 . 16 1 1 A 48 48 ARG C C 48 176.347 176.853 -0.506 1
1 483 . 16 1 1 A 48 48 ARG CA C 48 56.782 58.936 -2.154 1
1 484 . 16 1 1 A 48 48 ARG CB C 48 30.654 29.861 0.793 1
1 487 . 16 1 1 A 48 48 ARG N N 48 119.526 120.426 -0.900 1
1 488 . 16 1 1 A 49 49 LEU H H 49 7.682 7.685 -0.003 1
1 489 . 16 1 1 A 49 49 LEU HA H 49 4.252 3.984 0.268 1
1 499 . 16 1 1 A 49 49 LEU C C 49 174.707 175.356 -0.649 1
1 500 . 16 1 1 A 49 49 LEU CA C 49 53.040 53.394 -0.354 1
1 501 . 16 1 1 A 49 49 LEU CB C 49 41.759 42.294 -0.535 1
1 505 . 16 1 1 A 49 49 LEU N N 49 121.049 121.074 -0.025 1
1 506 . 16 1 1 A 50 50 PRO HA H 50 4.392 4.456 -0.064 1
1 513 . 16 1 1 A 50 50 PRO C C 50 175.058 177.848 -2.790 1
1 514 . 16 1 1 A 50 50 PRO CA C 50 62.323 63.219 -0.896 1
1 515 . 16 1 1 A 50 50 PRO CB C 50 31.353 31.721 -0.368 1
1 518 . 16 1 1 A 51 51 ARG H H 51 8.295 8.623 -0.328 1
1 519 . 16 1 1 A 51 51 ARG HA H 51 4.511 3.903 0.608 1
1 526 . 16 1 1 A 51 51 ARG C C 51 177.443 176.295 1.148 1
1 527 . 16 1 1 A 51 51 ARG CA C 51 56.728 59.219 -2.491 1
1 528 . 16 1 1 A 51 51 ARG CB C 51 31.194 30.176 1.018 1
1 531 . 16 1 1 A 51 51 ARG N N 51 119.201 123.438 -4.237 1
1 532 . 16 1 1 A 52 52 THR H H 52 7.372 7.833 -0.461 1
1 533 . 16 1 1 A 52 52 THR HA H 52 4.963 4.804 0.159 1
1 538 . 16 1 1 A 52 52 THR C C 52 173.287 173.857 -0.570 1
1 539 . 16 1 1 A 52 52 THR CA C 52 59.411 59.647 -0.236 1
1 540 . 16 1 1 A 52 52 THR CB C 52 71.632 71.795 -0.163 1
1 542 . 16 1 1 A 52 52 THR N N 52 109.591 109.271 0.320 1
1 543 . 16 1 1 A 53 53 ILE H H 53 8.742 8.851 -0.109 1
1 544 . 16 1 1 A 53 53 ILE HA H 53 3.845 4.497 -0.652 1
1 554 . 16 1 1 A 53 53 ILE C C 53 173.374 174.383 -1.009 1
1 555 . 16 1 1 A 53 53 ILE CA C 53 57.735 57.261 0.474 1
1 556 . 16 1 1 A 53 53 ILE CB C 53 41.196 40.506 0.690 1
1 560 . 16 1 1 A 53 53 ILE N N 53 123.236 124.409 -1.173 1
1 561 . 16 1 1 A 54 54 PRO HA H 54 4.541 4.622 -0.081 1
1 568 . 16 1 1 A 54 54 PRO CA C 54 61.292 62.257 -0.965 1
1 569 . 16 1 1 A 54 54 PRO CB C 54 30.119 30.952 -0.833 1
1 572 . 16 1 1 A 55 55 LEU H H 55 8.146 8.433 -0.287 1
1 573 . 16 1 1 A 55 55 LEU HA H 55 4.262 3.830 0.432 1
1 583 . 16 1 1 A 55 55 LEU CA C 55 58.660 58.919 -0.259 1
1 584 . 16 1 1 A 55 55 LEU CB C 55 39.660 39.505 0.155 1
1 588 . 16 1 1 A 55 55 LEU N N 55 127.224 123.503 3.721 1
1 589 . 16 1 1 A 56 56 PRO HA H 56 4.630 4.286 0.344 1
1 596 . 16 1 1 A 56 56 PRO C C 56 177.498 177.146 0.352 1
1 597 . 16 1 1 A 56 56 PRO CA C 56 65.782 66.107 -0.325 1
1 598 . 16 1 1 A 56 56 PRO CB C 56 31.188 30.909 0.279 1
1 601 . 16 1 1 A 57 57 SER H H 57 7.722 8.180 -0.458 1
1 602 . 16 1 1 A 57 57 SER HA H 57 4.723 4.735 -0.012 1
1 605 . 16 1 1 A 57 57 SER C C 57 174.102 173.354 0.748 1
1 606 . 16 1 1 A 57 57 SER CA C 57 58.423 57.859 0.564 1
1 607 . 16 1 1 A 57 57 SER CB C 57 63.924 63.902 0.022 1
1 608 . 16 1 1 A 57 57 SER N N 57 110.169 111.462 -1.293 1
1 609 . 16 1 1 A 58 58 CYS H H 58 8.002 7.937 0.065 1
1 610 . 16 1 1 A 58 58 CYS HA H 58 5.282 5.110 0.172 1
1 613 . 16 1 1 A 58 58 CYS C C 58 174.525 173.765 0.760 1
1 614 . 16 1 1 A 58 58 CYS CA C 58 59.447 56.772 2.675 1
1 615 . 16 1 1 A 58 58 CYS CB C 58 29.594 30.262 -0.668 1
1 616 . 16 1 1 A 58 58 CYS N N 58 118.902 119.125 -0.223 1
1 617 . 16 1 1 A 59 59 LYS H H 59 9.242 9.027 0.215 1
1 618 . 16 1 1 A 59 59 LYS HA H 59 4.777 4.985 -0.208 1
1 627 . 16 1 1 A 59 59 LYS C C 59 175.947 175.439 0.508 1
1 628 . 16 1 1 A 59 59 LYS CA C 59 55.299 55.180 0.119 1
1 629 . 16 1 1 A 59 59 LYS CB C 59 34.561 34.588 -0.027 1
1 633 . 16 1 1 A 59 59 LYS N N 59 122.306 122.327 -0.021 1
1 634 . 16 1 1 A 60 60 LEU H H 60 9.030 8.977 0.053 1
1 635 . 16 1 1 A 60 60 LEU HA H 60 5.543 5.258 0.285 1
1 645 . 16 1 1 A 60 60 LEU C C 60 176.239 175.844 0.395 1
1 646 . 16 1 1 A 60 60 LEU CA C 60 53.958 53.571 0.387 1
1 647 . 16 1 1 A 60 60 LEU CB C 60 44.454 43.542 0.912 1
1 651 . 16 1 1 A 60 60 LEU N N 60 129.520 126.527 2.993 1
1 652 . 16 1 1 A 61 61 SER H H 61 9.077 8.593 0.484 1
1 653 . 16 1 1 A 61 61 SER HA H 61 4.832 5.106 -0.274 1
1 656 . 16 1 1 A 61 61 SER C C 61 172.173 172.691 -0.518 1
1 657 . 16 1 1 A 61 61 SER CA C 61 57.558 57.747 -0.189 1
1 658 . 16 1 1 A 61 61 SER CB C 61 65.692 65.903 -0.211 1
1 659 . 16 1 1 A 61 61 SER N N 61 117.374 122.196 -4.822 1
1 660 . 16 1 1 A 62 62 VAL H H 62 8.784 8.896 -0.112 1
1 661 . 16 1 1 A 62 62 VAL HA H 62 4.927 4.679 0.248 1
1 669 . 16 1 1 A 62 62 VAL C C 62 174.367 174.529 -0.162 1
1 670 . 16 1 1 A 62 62 VAL CA C 62 59.782 60.055 -0.273 1
1 671 . 16 1 1 A 62 62 VAL CB C 62 33.518 31.961 1.557 1
1 674 . 16 1 1 A 62 62 VAL N N 62 119.929 126.789 -6.860 1
1 675 . 16 1 1 A 63 63 PRO HA H 63 4.495 4.731 -0.236 1
1 682 . 16 1 1 A 63 63 PRO CA C 63 62.526 62.374 0.152 1
1 683 . 16 1 1 A 63 63 PRO CB C 63 32.504 32.619 -0.115 1
1 686 . 16 1 1 A 64 64 ASP H H 64 8.762 8.583 0.179 1
1 687 . 16 1 1 A 64 64 ASP HA H 64 4.780 5.175 -0.395 1
1 690 . 16 1 1 A 64 64 ASP CA C 64 53.231 51.512 1.719 1
1 691 . 16 1 1 A 64 64 ASP CB C 64 41.105 41.153 -0.048 1
1 692 . 16 1 1 A 64 64 ASP N N 64 123.527 120.711 2.816 1
1 693 . 16 1 1 A 65 65 PRO HA H 65 4.371 4.319 0.052 1
1 700 . 16 1 1 A 65 65 PRO C C 65 178.309 178.549 -0.240 1
1 701 . 16 1 1 A 65 65 PRO CA C 65 64.829 65.608 -0.779 1
1 702 . 16 1 1 A 65 65 PRO CB C 65 32.136 31.865 0.271 1
1 705 . 16 1 1 A 66 66 GLU H H 66 8.890 8.589 0.301 1
1 706 . 16 1 1 A 66 66 GLU HA H 66 4.129 4.076 0.053 1
1 711 . 16 1 1 A 66 66 GLU C C 66 177.222 177.573 -0.351 1
1 712 . 16 1 1 A 66 66 GLU CA C 66 57.805 59.758 -1.953 1
1 713 . 16 1 1 A 66 66 GLU CB C 66 29.334 29.026 0.308 1
1 715 . 16 1 1 A 66 66 GLU N N 66 117.225 117.643 -0.418 1
1 716 . 16 1 1 A 67 67 GLU H H 67 7.971 8.321 -0.350 1
1 717 . 16 1 1 A 67 67 GLU HA H 67 4.136 4.433 -0.297 1
1 722 . 16 1 1 A 67 67 GLU C C 67 176.058 175.827 0.231 1
1 723 . 16 1 1 A 67 67 GLU CA C 67 57.328 56.647 0.681 1
1 724 . 16 1 1 A 67 67 GLU CB C 67 29.594 30.824 -1.230 1
1 726 . 16 1 1 A 67 67 GLU N N 67 119.516 118.953 0.563 1
1 727 . 16 1 1 A 68 68 ARG H H 68 8.020 8.498 -0.478 1
1 728 . 16 1 1 A 68 68 ARG HA H 68 4.043 4.885 -0.842 1
1 735 . 16 1 1 A 68 68 ARG C C 68 175.591 175.202 0.389 1
1 736 . 16 1 1 A 68 68 ARG CA C 68 56.075 54.976 1.099 1
1 737 . 16 1 1 A 68 68 ARG CB C 68 28.927 31.115 -2.188 1
1 740 . 16 1 1 A 68 68 ARG N N 68 118.917 120.148 -1.231 1
1 741 . 16 1 1 A 69 69 LEU H H 69 8.188 8.838 -0.650 1
1 742 . 16 1 1 A 69 69 LEU HA H 69 4.372 5.089 -0.717 1
1 752 . 16 1 1 A 69 69 LEU C C 69 176.013 176.614 -0.601 1
1 753 . 16 1 1 A 69 69 LEU CA C 69 54.682 53.359 1.323 1
1 754 . 16 1 1 A 69 69 LEU CB C 69 43.238 45.069 -1.831 1
1 758 . 16 1 1 A 69 69 LEU N N 69 122.935 125.777 -2.842 1
1 759 . 16 1 1 A 70 70 ASP H H 70 8.382 9.062 -0.680 1
1 760 . 16 1 1 A 70 70 ASP HA H 70 4.123 4.743 -0.620 1
1 763 . 16 1 1 A 70 70 ASP C C 70 175.200 175.876 -0.676 1
1 764 . 16 1 1 A 70 70 ASP CA C 70 54.558 55.641 -1.083 1
1 765 . 16 1 1 A 70 70 ASP CB C 70 40.634 42.091 -1.457 1
1 766 . 16 1 1 A 70 70 ASP N N 70 119.400 122.001 -2.601 1
1 767 . 16 1 1 A 71 71 SER H H 71 7.391 7.077 0.314 1
1 768 . 16 1 1 A 71 71 SER HA H 71 4.233 4.282 -0.049 1
1 771 . 16 1 1 A 71 71 SER C C 71 174.294 174.882 -0.588 1
1 772 . 16 1 1 A 71 71 SER CA C 71 58.017 57.632 0.385 1
1 773 . 16 1 1 A 71 71 SER CB C 71 63.430 64.403 -0.973 1
1 774 . 16 1 1 A 71 71 SER N N 71 114.807 112.408 2.399 1
1 775 . 16 1 1 A 72 72 GLY H H 72 7.981 8.171 -0.190 1
1 776 . 16 1 1 A 72 72 GLY HA2 H 72 3.702 3.676 0.026 1
1 777 . 16 1 1 A 72 72 GLY HA3 H 72 3.610 3.821 -0.211 1
1 778 . 16 1 1 A 72 72 GLY C C 72 172.912 173.599 -0.687 1
1 779 . 16 1 1 A 72 72 GLY CA C 72 44.675 45.640 -0.965 1
1 780 . 16 1 1 A 72 72 GLY N N 72 108.675 108.945 -0.270 1
1 781 . 16 1 1 A 73 73 HIS H H 73 8.462 8.026 0.436 1
1 782 . 16 1 1 A 73 73 HIS HA H 73 4.859 5.211 -0.352 1
1 787 . 16 1 1 A 73 73 HIS C C 73 174.804 173.897 0.907 1
1 788 . 16 1 1 A 73 73 HIS CA C 73 54.700 54.334 0.366 1
1 789 . 16 1 1 A 73 73 HIS CB C 73 28.762 30.747 -1.985 1
1 792 . 16 1 1 A 73 73 HIS N N 73 122.843 118.101 4.742 1
1 793 . 16 1 1 A 74 74 VAL H H 74 7.682 8.863 -1.181 1
1 794 . 16 1 1 A 74 74 VAL HA H 74 5.402 4.982 0.420 1
1 802 . 16 1 1 A 74 74 VAL C C 74 176.121 173.531 2.590 1
1 803 . 16 1 1 A 74 74 VAL CA C 74 61.246 60.216 1.030 1
1 804 . 16 1 1 A 74 74 VAL CB C 74 35.383 35.767 -0.384 1
1 807 . 16 1 1 A 74 74 VAL N N 74 120.824 121.760 -0.936 1
1 808 . 16 1 1 A 75 75 TRP H H 75 9.581 8.440 1.141 1
1 809 . 16 1 1 A 75 75 TRP HA H 75 5.342 5.953 -0.611 1
1 818 . 16 1 1 A 75 75 TRP C C 75 171.123 173.464 -2.341 1
1 819 . 16 1 1 A 75 75 TRP CA C 75 57.046 54.708 2.338 1
1 820 . 16 1 1 A 75 75 TRP CB C 75 32.834 33.422 -0.588 1
1 826 . 16 1 1 A 75 75 TRP N N 75 124.656 123.716 0.940 1
1 828 . 16 1 1 A 76 76 LYS H H 76 9.557 8.999 0.558 1
1 829 . 16 1 1 A 76 76 LYS HA H 76 5.192 4.469 0.723 1
1 838 . 16 1 1 A 76 76 LYS C C 76 174.801 174.976 -0.175 1
1 839 . 16 1 1 A 76 76 LYS CA C 76 54.876 55.277 -0.401 1
1 840 . 16 1 1 A 76 76 LYS CB C 76 36.740 33.751 2.989 1
1 844 . 16 1 1 A 76 76 LYS N N 76 121.724 121.662 0.062 1
1 845 . 16 1 1 A 77 77 LEU H H 77 8.957 8.428 0.529 1
1 846 . 16 1 1 A 77 77 LEU HA H 77 5.272 5.209 0.063 1
1 856 . 16 1 1 A 77 77 LEU C C 77 174.927 175.001 -0.074 1
1 857 . 16 1 1 A 77 77 LEU CA C 77 54.046 54.073 -0.027 1
1 858 . 16 1 1 A 77 77 LEU CB C 77 46.281 44.727 1.554 1
1 862 . 16 1 1 A 77 77 LEU N N 77 124.578 125.729 -1.151 1
1 863 . 16 1 1 A 78 78 GLN H H 78 8.629 9.100 -0.471 1
1 864 . 16 1 1 A 78 78 GLN HA H 78 5.308 5.339 -0.031 1
1 871 . 16 1 1 A 78 78 GLN C C 78 174.564 174.753 -0.189 1
1 872 . 16 1 1 A 78 78 GLN CA C 78 54.452 54.425 0.027 1
1 873 . 16 1 1 A 78 78 GLN CB C 78 32.833 31.516 1.317 1
1 875 . 16 1 1 A 78 78 GLN N N 78 121.344 125.668 -4.324 1
1 877 . 16 1 1 A 79 79 TRP H H 79 8.601 8.570 0.031 1
1 878 . 16 1 1 A 79 79 TRP HA H 79 5.003 4.989 0.014 1
1 887 . 16 1 1 A 79 79 TRP C C 79 173.001 174.063 -1.062 1
1 888 . 16 1 1 A 79 79 TRP CA C 79 56.323 56.707 -0.384 1
1 889 . 16 1 1 A 79 79 TRP CB C 79 32.258 31.564 0.694 1
1 895 . 16 1 1 A 79 79 TRP N N 79 128.274 123.842 4.432 1
1 897 . 16 1 1 A 80 80 ALA H H 80 9.181 9.307 -0.126 1
1 898 . 16 1 1 A 80 80 ALA HA H 80 3.933 3.909 0.024 1
1 902 . 16 1 1 A 80 80 ALA C C 80 177.360 176.286 1.074 1
1 903 . 16 1 1 A 80 80 ALA CA C 80 54.222 53.217 1.005 1
1 904 . 16 1 1 A 80 80 ALA CB C 80 17.329 17.209 0.120 1
1 905 . 16 1 1 A 80 80 ALA N N 80 126.348 121.635 4.713 1
1 906 . 16 1 1 A 81 81 LYS H H 81 8.163 8.391 -0.228 1
1 907 . 16 1 1 A 81 81 LYS HA H 81 4.290 3.707 0.583 1
1 916 . 16 1 1 A 81 81 LYS C C 81 176.068 174.612 1.456 1
1 917 . 16 1 1 A 81 81 LYS CA C 81 56.305 57.400 -1.095 1
1 918 . 16 1 1 A 81 81 LYS CB C 81 31.312 29.514 1.798 1
1 922 . 16 1 1 A 81 81 LYS N N 81 120.289 107.383 12.906 1
1 923 . 16 1 1 A 82 82 GLN H H 82 8.423 7.637 0.786 1
1 924 . 16 1 1 A 82 82 GLN HA H 82 4.255 4.696 -0.441 1
1 931 . 16 1 1 A 82 82 GLN C C 82 174.996 174.090 0.906 1
1 932 . 16 1 1 A 82 82 GLN CA C 82 54.805 53.716 1.089 1
1 933 . 16 1 1 A 82 82 GLN CB C 82 30.942 32.032 -1.090 1
1 935 . 16 1 1 A 82 82 GLN N N 82 119.918 116.696 3.222 1
1 937 . 16 1 1 A 83 83 SER H H 83 7.683 8.051 -0.368 1
1 938 . 16 1 1 A 83 83 SER HA H 83 4.991 5.359 -0.368 1
1 941 . 16 1 1 A 83 83 SER C C 83 171.947 172.403 -0.456 1
1 942 . 16 1 1 A 83 83 SER CA C 83 57.629 57.577 0.052 1
1 943 . 16 1 1 A 83 83 SER CB C 83 64.664 65.519 -0.855 1
1 944 . 16 1 1 A 83 83 SER N N 83 115.649 112.368 3.281 1
1 945 . 16 1 1 A 84 84 TRP H H 84 8.665 8.895 -0.230 1
1 946 . 16 1 1 A 84 84 TRP HA H 84 4.714 5.067 -0.353 1
1 955 . 16 1 1 A 84 84 TRP C C 84 174.105 174.819 -0.714 1
1 956 . 16 1 1 A 84 84 TRP CA C 84 56.834 56.163 0.671 1
1 957 . 16 1 1 A 84 84 TRP CB C 84 33.368 33.368 0.000 1
1 963 . 16 1 1 A 84 84 TRP N N 84 122.334 124.527 -2.193 1
1 965 . 16 1 1 A 85 85 TYR H H 85 9.220 8.930 0.290 1
1 966 . 16 1 1 A 85 85 TYR HA H 85 5.209 5.175 0.034 1
1 973 . 16 1 1 A 85 85 TYR C C 85 175.136 175.120 0.016 1
1 974 . 16 1 1 A 85 85 TYR CA C 85 56.993 56.820 0.173 1
1 975 . 16 1 1 A 85 85 TYR CB C 85 41.058 40.869 0.189 1
1 980 . 16 1 1 A 85 85 TYR N N 85 117.934 122.399 -4.465 1
1 981 . 16 1 1 A 86 86 LEU H H 86 8.662 8.543 0.119 1
1 982 . 16 1 1 A 86 86 LEU HA H 86 5.172 4.718 0.454 1
1 992 . 16 1 1 A 86 86 LEU C C 86 174.454 174.338 0.116 1
1 993 . 16 1 1 A 86 86 LEU CA C 86 53.587 53.427 0.160 1
1 994 . 16 1 1 A 86 86 LEU CB C 86 43.773 42.791 0.982 1
1 998 . 16 1 1 A 86 86 LEU N N 86 121.945 123.227 -1.282 1
1 999 . 16 1 1 A 87 87 SER H H 87 8.642 8.441 0.201 1
1 1000 . 16 1 1 A 87 87 SER HA H 87 4.995 5.151 -0.156 1
1 1003 . 16 1 1 A 87 87 SER C C 87 173.683 173.427 0.256 1
1 1004 . 16 1 1 A 87 87 SER CA C 87 55.052 56.843 -1.791 1
1 1005 . 16 1 1 A 87 87 SER CB C 87 65.487 64.251 1.236 1
1 1006 . 16 1 1 A 87 87 SER N N 87 111.719 120.743 -9.024 1
1 1007 . 16 1 1 A 88 88 ALA H H 88 8.472 8.891 -0.419 1
1 1008 . 16 1 1 A 88 88 ALA HA H 88 5.184 4.862 0.322 1
1 1012 . 16 1 1 A 88 88 ALA C C 88 178.012 177.990 0.022 1
1 1013 . 16 1 1 A 88 88 ALA CA C 88 49.423 50.255 -0.832 1
1 1014 . 16 1 1 A 88 88 ALA CB C 88 22.919 21.632 1.287 1
1 1015 . 16 1 1 A 88 88 ALA N N 88 126.939 129.958 -3.019 1
1 1016 . 16 1 1 A 89 89 SER H H 89 8.182 8.594 -0.412 1
1 1017 . 16 1 1 A 89 89 SER HA H 89 4.274 4.261 0.013 1
1 1020 . 16 1 1 A 89 89 SER C C 89 174.039 174.704 -0.665 1
1 1021 . 16 1 1 A 89 89 SER CA C 89 60.135 61.780 -1.645 1
1 1022 . 16 1 1 A 89 89 SER CB C 89 63.571 63.135 0.436 1
1 1023 . 16 1 1 A 89 89 SER N N 89 111.359 116.624 -5.265 1
1 1024 . 16 1 1 A 90 90 SER H H 90 7.392 7.742 -0.350 1
1 1025 . 16 1 1 A 90 90 SER HA H 90 4.383 4.424 -0.041 1
1 1028 . 16 1 1 A 90 90 SER C C 90 173.114 173.694 -0.580 1
1 1029 . 16 1 1 A 90 90 SER CA C 90 56.023 56.905 -0.882 1
1 1030 . 16 1 1 A 90 90 SER CB C 90 67.108 64.988 2.120 1
1 1031 . 16 1 1 A 90 90 SER N N 90 113.112 111.904 1.208 1
1 1032 . 16 1 1 A 91 91 ALA H H 91 8.532 8.101 0.431 1
1 1033 . 16 1 1 A 91 91 ALA HA H 91 3.763 3.827 -0.064 1
1 1037 . 16 1 1 A 91 91 ALA C C 91 179.816 179.457 0.359 1
1 1038 . 16 1 1 A 91 91 ALA CA C 91 54.699 55.099 -0.400 1
1 1039 . 16 1 1 A 91 91 ALA CB C 91 18.111 18.035 0.076 1
1 1040 . 16 1 1 A 91 91 ALA N N 91 123.767 122.500 1.267 1
1 1041 . 16 1 1 A 92 92 GLU H H 92 8.766 8.044 0.722 1
1 1042 . 16 1 1 A 92 92 GLU HA H 92 3.942 3.962 -0.020 1
1 1047 . 16 1 1 A 92 92 GLU C C 92 179.568 178.363 1.205 1
1 1048 . 16 1 1 A 92 92 GLU CA C 92 60.206 59.450 0.756 1
1 1049 . 16 1 1 A 92 92 GLU CB C 92 28.721 29.371 -0.650 1
1 1051 . 16 1 1 A 92 92 GLU N N 92 118.712 118.592 0.120 1
1 1052 . 16 1 1 A 93 93 LEU H H 93 7.852 7.791 0.061 1
1 1053 . 16 1 1 A 93 93 LEU HA H 93 4.274 4.166 0.108 1
1 1063 . 16 1 1 A 93 93 LEU C C 93 178.805 178.539 0.266 1
1 1064 . 16 1 1 A 93 93 LEU CA C 93 57.382 56.810 0.572 1
1 1065 . 16 1 1 A 93 93 LEU CB C 93 43.115 41.681 1.434 1
1 1069 . 16 1 1 A 93 93 LEU N N 93 121.212 120.809 0.403 1
1 1070 . 16 1 1 A 94 94 GLN H H 94 8.080 8.037 0.043 1
1 1071 . 16 1 1 A 94 94 GLN HA H 94 3.843 4.246 -0.403 1
1 1078 . 16 1 1 A 94 94 GLN C C 94 176.960 178.050 -1.090 1
1 1079 . 16 1 1 A 94 94 GLN CA C 94 59.694 59.074 0.620 1
1 1080 . 16 1 1 A 94 94 GLN CB C 94 28.063 28.765 -0.702 1
1 1082 . 16 1 1 A 94 94 GLN N N 94 120.439 119.261 1.178 1
1 1084 . 16 1 1 A 95 95 GLN H H 95 8.293 8.254 0.039 1
1 1085 . 16 1 1 A 95 95 GLN HA H 95 3.779 4.035 -0.256 1
1 1092 . 16 1 1 A 95 95 GLN C C 95 177.938 177.857 0.081 1
1 1093 . 16 1 1 A 95 95 GLN CA C 95 59.005 58.812 0.193 1
1 1094 . 16 1 1 A 95 95 GLN CB C 95 27.610 28.359 -0.749 1
1 1096 . 16 1 1 A 95 95 GLN N N 95 117.408 117.091 0.317 1
1 1098 . 16 1 1 A 96 96 GLN H H 96 7.731 7.672 0.059 1
1 1099 . 16 1 1 A 96 96 GLN HA H 96 3.966 4.005 -0.039 1
1 1106 . 16 1 1 A 96 96 GLN C C 96 179.685 177.613 2.072 1
1 1107 . 16 1 1 A 96 96 GLN CA C 96 58.987 57.996 0.991 1
1 1108 . 16 1 1 A 96 96 GLN CB C 96 28.433 28.174 0.259 1
1 1110 . 16 1 1 A 96 96 GLN N N 96 119.621 117.473 2.148 1
1 1112 . 16 1 1 A 97 97 TRP H H 97 8.410 7.345 1.065 1
1 1113 . 16 1 1 A 97 97 TRP HA H 97 3.792 4.344 -0.552 1
1 1122 . 16 1 1 A 97 97 TRP C C 97 178.515 178.818 -0.303 1
1 1123 . 16 1 1 A 97 97 TRP CA C 97 61.670 59.883 1.787 1
1 1124 . 16 1 1 A 97 97 TRP CB C 97 29.972 29.810 0.162 1
1 1130 . 16 1 1 A 97 97 TRP N N 97 121.370 120.418 0.952 1
1 1132 . 16 1 1 A 98 98 LEU H H 98 8.505 8.090 0.415 1
1 1133 . 16 1 1 A 98 98 LEU HA H 98 3.485 3.482 0.003 1
1 1143 . 16 1 1 A 98 98 LEU C C 98 180.194 178.749 1.445 1
1 1144 . 16 1 1 A 98 98 LEU CA C 98 58.706 58.085 0.621 1
1 1145 . 16 1 1 A 98 98 LEU CB C 98 41.141 41.561 -0.420 1
1 1149 . 16 1 1 A 98 98 LEU N N 98 119.038 119.906 -0.868 1
1 1150 . 16 1 1 A 99 99 GLU H H 99 8.241 8.544 -0.303 1
1 1151 . 16 1 1 A 99 99 GLU HA H 99 3.927 4.047 -0.120 1
1 1156 . 16 1 1 A 99 99 GLU C C 99 179.082 178.651 0.431 1
1 1157 . 16 1 1 A 99 99 GLU CA C 99 59.587 58.952 0.635 1
1 1158 . 16 1 1 A 99 99 GLU CB C 99 29.296 29.319 -0.023 1
1 1160 . 16 1 1 A 99 99 GLU N N 99 119.886 117.590 2.296 1
1 1161 . 16 1 1 A 100 100 THR H H 100 7.780 7.556 0.224 1
1 1162 . 16 1 1 A 100 100 THR HA H 100 3.862 3.890 -0.028 1
1 1167 . 16 1 1 A 100 100 THR C C 100 176.899 176.251 0.648 1
1 1168 . 16 1 1 A 100 100 THR CA C 100 67.088 67.249 -0.161 1
1 1169 . 16 1 1 A 100 100 THR CB C 100 68.178 68.849 -0.671 1
1 1171 . 16 1 1 A 100 100 THR N N 100 116.913 117.162 -0.249 1
1 1172 . 16 1 1 A 101 101 LEU H H 101 9.159 8.457 0.702 1
1 1173 . 16 1 1 A 101 101 LEU HA H 101 3.993 3.877 0.116 1
1 1183 . 16 1 1 A 101 101 LEU C C 101 178.416 179.183 -0.767 1
1 1184 . 16 1 1 A 101 101 LEU CA C 101 58.017 57.961 0.056 1
1 1185 . 16 1 1 A 101 101 LEU CB C 101 42.004 41.623 0.381 1
1 1189 . 16 1 1 A 101 101 LEU N N 101 121.065 120.290 0.775 1
1 1190 . 16 1 1 A 102 102 SER H H 102 7.978 8.268 -0.290 1
1 1191 . 16 1 1 A 102 102 SER HA H 102 4.094 3.949 0.145 1
1 1194 . 16 1 1 A 102 102 SER C C 102 176.370 176.955 -0.585 1
1 1195 . 16 1 1 A 102 102 SER CA C 102 61.794 61.446 0.348 1
1 1196 . 16 1 1 A 102 102 SER CB C 102 62.855 63.128 -0.273 1
1 1197 . 16 1 1 A 102 102 SER N N 102 112.923 113.503 -0.580 1
1 1198 . 16 1 1 A 103 103 THR H H 103 7.683 8.408 -0.725 1
1 1199 . 16 1 1 A 103 103 THR HA H 103 4.020 3.814 0.206 1
1 1204 . 16 1 1 A 103 103 THR C C 103 176.061 176.844 -0.783 1
1 1205 . 16 1 1 A 103 103 THR CA C 103 65.412 66.579 -1.167 1
1 1206 . 16 1 1 A 103 103 THR CB C 103 68.918 68.247 0.671 1
1 1208 . 16 1 1 A 103 103 THR N N 103 116.420 116.552 -0.132 1
1 1209 . 16 1 1 A 104 104 ALA H H 104 7.760 8.599 -0.839 1
1 1210 . 16 1 1 A 104 104 ALA HA H 104 4.272 3.880 0.392 1
1 1214 . 16 1 1 A 104 104 ALA C C 104 178.160 179.227 -1.067 1
1 1215 . 16 1 1 A 104 104 ALA CA C 104 54.011 55.504 -1.493 1
1 1216 . 16 1 1 A 104 104 ALA CB C 104 20.155 18.030 2.125 1
1 1217 . 16 1 1 A 104 104 ALA N N 104 123.981 123.009 0.972 1
1 1218 . 16 1 1 A 105 105 ALA H H 105 7.824 7.969 -0.145 1
1 1219 . 16 1 1 A 105 105 ALA HA H 105 4.092 3.958 0.134 1
1 1223 . 16 1 1 A 105 105 ALA C C 105 177.657 177.339 0.318 1
1 1224 . 16 1 1 A 105 105 ALA CA C 105 53.058 55.064 -2.006 1
1 1225 . 16 1 1 A 105 105 ALA CB C 105 19.067 18.758 0.309 1
1 1226 . 16 1 1 A 105 105 ALA N N 105 118.227 119.114 -0.887 1
1 1227 . 16 1 1 A 106 106 HIS H H 106 7.675 8.296 -0.621 1
1 1228 . 16 1 1 A 106 106 HIS HA H 106 4.703 4.982 -0.279 1
1 1233 . 16 1 1 A 106 106 HIS C C 106 175.296 174.796 0.500 1
1 1234 . 16 1 1 A 106 106 HIS CA C 106 56.287 54.140 2.147 1
1 1235 . 16 1 1 A 106 106 HIS CB C 106 30.407 31.696 -1.289 1
1 1238 . 16 1 1 A 106 106 HIS N N 106 115.860 114.671 1.189 1
1 1239 . 16 1 1 A 107 107 SER H H 107 8.015 9.078 -1.063 1
1 1240 . 16 1 1 A 107 107 SER HA H 107 4.560 4.457 0.103 1
1 1243 . 16 1 1 A 107 107 SER C C 107 174.345 174.523 -0.178 1
1 1244 . 16 1 1 A 107 107 SER CA C 107 58.546 59.508 -0.962 1
1 1245 . 16 1 1 A 107 107 SER CB C 107 64.130 65.098 -0.968 1
1 1246 . 16 1 1 A 107 107 SER N N 107 116.310 119.731 -3.421 1
1 1247 . 16 1 1 A 108 108 GLY H H 108 8.282 7.487 0.795 1
1 1248 . 16 1 1 A 108 108 GLY HA2 H 108 4.213 4.088 0.125 1
1 1249 . 16 1 1 A 108 108 GLY HA3 H 108 4.042 4.090 -0.048 1
1 1250 . 16 1 1 A 108 108 GLY C C 108 171.750 173.170 -1.420 1
1 1251 . 16 1 1 A 108 108 GLY CA C 108 44.640 46.112 -1.472 1
1 1252 . 16 1 1 A 108 108 GLY N N 108 110.511 107.670 2.841 1
1 1253 . 16 1 1 A 109 109 PRO HA H 109 4.497 4.664 -0.167 1
1 1260 . 16 1 1 A 109 109 PRO C C 109 177.419 175.337 2.082 1
1 1261 . 16 1 1 A 109 109 PRO CA C 109 63.241 62.669 0.572 1
1 1262 . 16 1 1 A 109 109 PRO CB C 109 32.264 32.464 -0.200 1
1 1265 . 16 1 1 A 110 110 SER H H 110 8.558 8.569 -0.011 1
1 1266 . 16 1 1 A 110 110 SER C C 110 174.715 173.376 1.339 1
1 1267 . 16 1 1 A 110 110 SER CA C 110 58.335 56.600 1.735 1
1 1268 . 16 1 1 A 110 110 SER CB C 110 63.759 65.935 -2.176 1
1 1269 . 16 1 1 A 110 110 SER N N 110 116.470 117.836 -1.366 1
1 1270 . 16 1 1 A 111 111 SER H H 111 8.357 8.763 -0.406 1
1 1271 . 16 1 1 A 111 111 SER C C 111 173.931 175.412 -1.481 1
1 1272 . 16 1 1 A 111 111 SER CA C 111 58.335 58.614 -0.279 1
1 1 . 17 1 1 A 8 8 SER HA H 8 5.012 5.298 -0.286 1
1 4 . 17 1 1 A 8 8 SER CA C 8 58.166 57.325 0.841 1
1 5 . 17 1 1 A 8 8 SER CB C 8 64.582 67.354 -2.772 1
1 6 . 17 1 1 A 9 9 LEU H H 9 9.253 8.169 1.084 1
1 7 . 17 1 1 A 9 9 LEU HA H 9 4.091 4.064 0.027 1
1 17 . 17 1 1 A 9 9 LEU C C 9 176.799 176.706 0.093 1
1 18 . 17 1 1 A 9 9 LEU CA C 9 57.523 57.192 0.331 1
1 19 . 17 1 1 A 9 9 LEU CB C 9 42.703 42.151 0.552 1
1 23 . 17 1 1 A 9 9 LEU N N 9 127.432 126.054 1.378 1
1 24 . 17 1 1 A 10 10 LEU H H 10 6.827 7.806 -0.979 1
1 25 . 17 1 1 A 10 10 LEU HA H 10 4.201 4.606 -0.405 1
1 35 . 17 1 1 A 10 10 LEU C C 10 173.779 174.323 -0.544 1
1 36 . 17 1 1 A 10 10 LEU CA C 10 54.399 54.071 0.328 1
1 37 . 17 1 1 A 10 10 LEU CB C 10 45.006 45.638 -0.632 1
1 41 . 17 1 1 A 10 10 LEU N N 10 116.105 117.554 -1.449 1
1 42 . 17 1 1 A 11 11 CYS H H 11 7.989 8.834 -0.845 1
1 43 . 17 1 1 A 11 11 CYS HA H 11 5.743 5.221 0.522 1
1 46 . 17 1 1 A 11 11 CYS C C 11 172.654 173.131 -0.477 1
1 47 . 17 1 1 A 11 11 CYS CA C 11 55.546 57.164 -1.618 1
1 48 . 17 1 1 A 11 11 CYS CB C 11 31.333 31.159 0.174 1
1 49 . 17 1 1 A 11 11 CYS N N 11 117.939 122.306 -4.367 1
1 50 . 17 1 1 A 12 12 GLY H H 12 8.479 7.383 1.096 1
1 51 . 17 1 1 A 12 12 GLY HA2 H 12 4.419 3.749 0.670 1
1 52 . 17 1 1 A 12 12 GLY HA3 H 12 2.832 4.090 -1.258 1
1 53 . 17 1 1 A 12 12 GLY C C 12 168.720 171.566 -2.846 1
1 54 . 17 1 1 A 12 12 GLY CA C 12 44.710 44.854 -0.144 1
1 55 . 17 1 1 A 12 12 GLY N N 12 109.046 106.646 2.400 1
1 56 . 17 1 1 A 13 13 PRO HA H 13 5.163 4.492 0.671 1
1 63 . 17 1 1 A 13 13 PRO C C 13 177.501 175.119 2.382 1
1 64 . 17 1 1 A 13 13 PRO CA C 13 62.182 63.207 -1.025 1
1 65 . 17 1 1 A 13 13 PRO CB C 13 32.587 32.167 0.420 1
1 68 . 17 1 1 A 14 14 LEU H H 14 8.630 8.573 0.057 1
1 69 . 17 1 1 A 14 14 LEU HA H 14 4.764 4.989 -0.225 1
1 79 . 17 1 1 A 14 14 LEU C C 14 175.698 174.366 1.332 1
1 80 . 17 1 1 A 14 14 LEU CA C 14 53.975 53.044 0.931 1
1 81 . 17 1 1 A 14 14 LEU CB C 14 48.936 45.600 3.336 1
1 85 . 17 1 1 A 14 14 LEU N N 14 122.246 123.835 -1.589 1
1 86 . 17 1 1 A 15 15 ARG H H 15 8.498 8.005 0.493 1
1 87 . 17 1 1 A 15 15 ARG HA H 15 5.421 5.393 0.028 1
1 95 . 17 1 1 A 15 15 ARG C C 15 174.664 174.899 -0.235 1
1 96 . 17 1 1 A 15 15 ARG CA C 15 54.858 54.472 0.386 1
1 97 . 17 1 1 A 15 15 ARG CB C 15 34.085 33.744 0.341 1
1 100 . 17 1 1 A 15 15 ARG N N 15 118.593 123.116 -4.523 1
1 102 . 17 1 1 A 16 16 LEU H H 16 9.244 8.891 0.353 1
1 103 . 17 1 1 A 16 16 LEU HA H 16 5.662 5.715 -0.053 1
1 113 . 17 1 1 A 16 16 LEU C C 16 176.872 174.546 2.326 1
1 114 . 17 1 1 A 16 16 LEU CA C 16 53.746 53.617 0.129 1
1 115 . 17 1 1 A 16 16 LEU CB C 16 47.803 46.999 0.804 1
1 119 . 17 1 1 A 16 16 LEU N N 16 123.893 125.170 -1.277 1
1 120 . 17 1 1 A 17 17 SER H H 17 8.982 8.389 0.593 1
1 121 . 17 1 1 A 17 17 SER HA H 17 4.484 5.099 -0.615 1
1 124 . 17 1 1 A 17 17 SER C C 17 173.790 172.914 0.876 1
1 125 . 17 1 1 A 17 17 SER CA C 17 57.081 56.416 0.665 1
1 126 . 17 1 1 A 17 17 SER CB C 17 64.487 64.451 0.036 1
1 127 . 17 1 1 A 17 17 SER N N 17 117.455 118.759 -1.304 1
1 128 . 17 1 1 A 18 18 GLU H H 18 9.102 8.603 0.499 1
1 129 . 17 1 1 A 18 18 GLU HA H 18 3.832 4.485 -0.653 1
1 134 . 17 1 1 A 18 18 GLU C C 18 176.185 176.276 -0.091 1
1 135 . 17 1 1 A 18 18 GLU CA C 18 58.793 55.461 3.332 1
1 136 . 17 1 1 A 18 18 GLU CB C 18 30.037 29.313 0.724 1
1 138 . 17 1 1 A 18 18 GLU N N 18 129.354 124.250 5.104 1
1 139 . 17 1 1 A 19 19 SER H H 19 7.792 9.215 -1.423 1
1 140 . 17 1 1 A 19 19 SER HA H 19 4.650 4.166 0.484 1
1 143 . 17 1 1 A 19 19 SER C C 19 175.321 174.045 1.276 1
1 144 . 17 1 1 A 19 19 SER CA C 19 57.699 59.185 -1.486 1
1 145 . 17 1 1 A 19 19 SER CB C 19 65.816 61.678 4.138 1
1 146 . 17 1 1 A 19 19 SER N N 19 108.812 121.579 -12.767 1
1 147 . 17 1 1 A 20 20 GLY H H 20 8.376 8.053 0.323 1
1 148 . 17 1 1 A 20 20 GLY HA2 H 20 3.931 3.205 0.726 1
1 149 . 17 1 1 A 20 20 GLY HA3 H 20 2.690 3.512 -0.822 1
1 150 . 17 1 1 A 20 20 GLY C C 20 172.644 173.996 -1.352 1
1 151 . 17 1 1 A 20 20 GLY CA C 20 44.746 46.263 -1.517 1
1 152 . 17 1 1 A 20 20 GLY N N 20 111.458 105.289 6.169 1
1 153 . 17 1 1 A 21 21 GLU H H 21 7.522 7.493 0.029 1
1 154 . 17 1 1 A 21 21 GLU HA H 21 4.274 4.508 -0.234 1
1 159 . 17 1 1 A 21 21 GLU C C 21 176.266 175.126 1.140 1
1 160 . 17 1 1 A 21 21 GLU CA C 21 58.069 57.726 0.343 1
1 161 . 17 1 1 A 21 21 GLU CB C 21 31.024 32.222 -1.198 1
1 163 . 17 1 1 A 21 21 GLU N N 21 119.071 119.126 -0.055 1
1 164 . 17 1 1 A 22 22 THR H H 22 7.436 7.766 -0.330 1
1 165 . 17 1 1 A 22 22 THR HA H 22 4.618 4.698 -0.080 1
1 170 . 17 1 1 A 22 22 THR C C 22 173.662 172.323 1.339 1
1 171 . 17 1 1 A 22 22 THR CA C 22 60.682 59.467 1.215 1
1 172 . 17 1 1 A 22 22 THR CB C 22 70.504 71.103 -0.599 1
1 174 . 17 1 1 A 22 22 THR N N 22 111.176 112.157 -0.981 1
1 175 . 17 1 1 A 23 23 TRP H H 23 9.121 9.018 0.103 1
1 176 . 17 1 1 A 23 23 TRP HA H 23 4.983 5.713 -0.730 1
1 185 . 17 1 1 A 23 23 TRP C C 23 175.888 176.167 -0.279 1
1 186 . 17 1 1 A 23 23 TRP CA C 23 56.570 56.524 0.046 1
1 187 . 17 1 1 A 23 23 TRP CB C 23 32.176 30.579 1.597 1
1 193 . 17 1 1 A 23 23 TRP N N 23 127.096 129.581 -2.485 1
1 195 . 17 1 1 A 24 24 SER H H 24 9.273 9.010 0.263 1
1 196 . 17 1 1 A 24 24 SER HA H 24 4.948 5.212 -0.264 1
1 199 . 17 1 1 A 24 24 SER C C 24 173.268 172.179 1.089 1
1 200 . 17 1 1 A 24 24 SER CA C 24 57.346 57.475 -0.129 1
1 201 . 17 1 1 A 24 24 SER CB C 24 65.445 66.616 -1.171 1
1 202 . 17 1 1 A 24 24 SER N N 24 118.031 117.156 0.875 1
1 203 . 17 1 1 A 25 25 GLU H H 25 8.990 8.699 0.291 1
1 204 . 17 1 1 A 25 25 GLU HA H 25 4.737 4.644 0.093 1
1 209 . 17 1 1 A 25 25 GLU C C 25 176.246 176.459 -0.213 1
1 210 . 17 1 1 A 25 25 GLU CA C 25 57.170 56.576 0.594 1
1 211 . 17 1 1 A 25 25 GLU CB C 25 30.202 30.424 -0.222 1
1 213 . 17 1 1 A 25 25 GLU N N 25 125.088 124.272 0.816 1
1 214 . 17 1 1 A 26 26 VAL H H 26 9.012 9.039 -0.027 1
1 215 . 17 1 1 A 26 26 VAL HA H 26 5.002 5.142 -0.140 1
1 223 . 17 1 1 A 26 26 VAL C C 26 174.304 173.621 0.683 1
1 224 . 17 1 1 A 26 26 VAL CA C 26 58.917 59.011 -0.094 1
1 225 . 17 1 1 A 26 26 VAL CB C 26 35.753 35.991 -0.238 1
1 228 . 17 1 1 A 26 26 VAL N N 26 118.076 119.598 -1.522 1
1 229 . 17 1 1 A 27 27 TRP H H 27 8.880 8.558 0.322 1
1 230 . 17 1 1 A 27 27 TRP HA H 27 4.814 5.516 -0.702 1
1 239 . 17 1 1 A 27 27 TRP C C 27 174.255 174.127 0.128 1
1 240 . 17 1 1 A 27 27 TRP CA C 27 57.117 54.904 2.213 1
1 241 . 17 1 1 A 27 27 TRP CB C 27 30.325 32.560 -2.235 1
1 247 . 17 1 1 A 27 27 TRP N N 27 122.873 125.216 -2.343 1
1 249 . 17 1 1 A 28 28 ALA H H 28 8.482 8.655 -0.173 1
1 250 . 17 1 1 A 28 28 ALA HA H 28 5.329 5.304 0.025 1
1 254 . 17 1 1 A 28 28 ALA C C 28 175.519 175.829 -0.310 1
1 255 . 17 1 1 A 28 28 ALA CA C 28 49.670 50.188 -0.518 1
1 256 . 17 1 1 A 28 28 ALA CB C 28 23.827 22.184 1.643 1
1 257 . 17 1 1 A 28 28 ALA N N 28 133.586 130.041 3.545 1
1 258 . 17 1 1 A 29 29 ALA H H 29 8.948 8.833 0.115 1
1 259 . 17 1 1 A 29 29 ALA HA H 29 5.160 5.163 -0.003 1
1 263 . 17 1 1 A 29 29 ALA C C 29 175.956 175.951 0.005 1
1 264 . 17 1 1 A 29 29 ALA CA C 29 52.210 51.911 0.299 1
1 265 . 17 1 1 A 29 29 ALA CB C 29 23.697 23.182 0.515 1
1 266 . 17 1 1 A 29 29 ALA N N 29 119.901 121.699 -1.798 1
1 267 . 17 1 1 A 30 30 ILE H H 30 8.245 8.679 -0.434 1
1 268 . 17 1 1 A 30 30 ILE HA H 30 5.313 4.661 0.652 1
1 278 . 17 1 1 A 30 30 ILE C C 30 174.004 174.504 -0.500 1
1 279 . 17 1 1 A 30 30 ILE CA C 30 57.699 57.580 0.119 1
1 280 . 17 1 1 A 30 30 ILE CB C 30 40.565 38.726 1.839 1
1 284 . 17 1 1 A 30 30 ILE N N 30 122.332 121.270 1.062 1
1 285 . 17 1 1 A 31 31 PRO HA H 31 4.655 4.664 -0.009 1
1 292 . 17 1 1 A 31 31 PRO C C 31 177.566 177.879 -0.313 1
1 293 . 17 1 1 A 31 31 PRO CA C 31 62.464 62.380 0.084 1
1 294 . 17 1 1 A 31 31 PRO CB C 31 31.929 31.414 0.515 1
1 297 . 17 1 1 A 32 32 MET H H 32 8.572 8.615 -0.043 1
1 298 . 17 1 1 A 32 32 MET HA H 32 3.997 4.084 -0.087 1
1 306 . 17 1 1 A 32 32 MET C C 32 177.770 178.081 -0.311 1
1 307 . 17 1 1 A 32 32 MET CA C 32 58.158 58.647 -0.489 1
1 308 . 17 1 1 A 32 32 MET CB C 32 31.929 32.342 -0.413 1
1 311 . 17 1 1 A 32 32 MET N N 32 121.580 124.171 -2.591 1
1 312 . 17 1 1 A 33 33 SER H H 33 8.163 8.176 -0.013 1
1 313 . 17 1 1 A 33 33 SER HA H 33 4.213 4.155 0.058 1
1 316 . 17 1 1 A 33 33 SER C C 33 174.424 173.902 0.522 1
1 317 . 17 1 1 A 33 33 SER CA C 33 58.864 61.144 -2.280 1
1 318 . 17 1 1 A 33 33 SER CB C 33 63.225 63.196 0.029 1
1 319 . 17 1 1 A 33 33 SER N N 33 109.218 114.367 -5.149 1
1 320 . 17 1 1 A 34 34 ASP H H 34 7.179 8.285 -1.106 1
1 321 . 17 1 1 A 34 34 ASP HA H 34 4.912 5.076 -0.164 1
1 324 . 17 1 1 A 34 34 ASP C C 34 171.847 174.210 -2.363 1
1 325 . 17 1 1 A 34 34 ASP CA C 34 52.581 51.191 1.390 1
1 326 . 17 1 1 A 34 34 ASP CB C 34 41.223 41.529 -0.306 1
1 327 . 17 1 1 A 34 34 ASP N N 34 120.601 118.285 2.316 1
1 328 . 17 1 1 A 35 35 PRO HA H 35 4.510 4.582 -0.072 1
1 335 . 17 1 1 A 35 35 PRO C C 35 175.635 176.301 -0.666 1
1 336 . 17 1 1 A 35 35 PRO CA C 35 64.511 63.959 0.552 1
1 337 . 17 1 1 A 35 35 PRO CB C 35 31.729 32.016 -0.287 1
1 340 . 17 1 1 A 36 36 GLN H H 36 7.982 8.370 -0.388 1
1 341 . 17 1 1 A 36 36 GLN HA H 36 4.472 4.482 -0.010 1
1 348 . 17 1 1 A 36 36 GLN C C 36 174.646 174.914 -0.268 1
1 349 . 17 1 1 A 36 36 GLN CA C 36 55.193 55.936 -0.743 1
1 350 . 17 1 1 A 36 36 GLN CB C 36 29.420 29.512 -0.092 1
1 352 . 17 1 1 A 36 36 GLN N N 36 114.393 117.346 -2.953 1
1 354 . 17 1 1 A 37 37 VAL H H 37 7.878 7.679 0.199 1
1 355 . 17 1 1 A 37 37 VAL HA H 37 4.546 4.598 -0.052 1
1 363 . 17 1 1 A 37 37 VAL C C 37 172.485 172.863 -0.378 1
1 364 . 17 1 1 A 37 37 VAL CA C 37 60.987 60.422 0.565 1
1 365 . 17 1 1 A 37 37 VAL CB C 37 35.218 34.718 0.500 1
1 368 . 17 1 1 A 37 37 VAL N N 37 120.432 119.483 0.949 1
1 369 . 17 1 1 A 38 38 LEU H H 38 7.992 8.979 -0.987 1
1 370 . 17 1 1 A 38 38 LEU HA H 38 4.770 5.271 -0.501 1
1 380 . 17 1 1 A 38 38 LEU C C 38 175.193 175.228 -0.035 1
1 381 . 17 1 1 A 38 38 LEU CA C 38 53.146 53.053 0.093 1
1 382 . 17 1 1 A 38 38 LEU CB C 38 45.359 44.888 0.471 1
1 386 . 17 1 1 A 38 38 LEU N N 38 123.585 129.398 -5.813 1
1 387 . 17 1 1 A 39 39 HIS H H 39 9.442 8.803 0.639 1
1 388 . 17 1 1 A 39 39 HIS HA H 39 5.212 4.861 0.351 1
1 393 . 17 1 1 A 39 39 HIS C C 39 175.351 175.336 0.015 1
1 394 . 17 1 1 A 39 39 HIS CA C 39 55.211 56.743 -1.532 1
1 395 . 17 1 1 A 39 39 HIS CB C 39 32.669 31.391 1.278 1
1 398 . 17 1 1 A 39 39 HIS N N 39 126.949 126.439 0.510 1
1 399 . 17 1 1 A 40 40 LEU H H 40 8.424 8.123 0.301 1
1 400 . 17 1 1 A 40 40 LEU HA H 40 5.082 5.072 0.010 1
1 410 . 17 1 1 A 40 40 LEU C C 40 176.050 176.067 -0.017 1
1 411 . 17 1 1 A 40 40 LEU CA C 40 53.552 53.648 -0.096 1
1 412 . 17 1 1 A 40 40 LEU CB C 40 44.019 45.741 -1.722 1
1 416 . 17 1 1 A 40 40 LEU N N 40 122.395 120.960 1.435 1
1 417 . 17 1 1 A 41 41 GLN H H 41 8.972 9.176 -0.204 1
1 418 . 17 1 1 A 41 41 GLN HA H 41 4.723 4.910 -0.187 1
1 425 . 17 1 1 A 41 41 GLN C C 41 175.453 175.659 -0.206 1
1 426 . 17 1 1 A 41 41 GLN CA C 41 54.840 54.660 0.180 1
1 427 . 17 1 1 A 41 41 GLN CB C 41 31.946 31.190 0.756 1
1 429 . 17 1 1 A 41 41 GLN N N 41 121.779 121.753 0.026 1
1 431 . 17 1 1 A 42 42 GLY H H 42 8.739 8.572 0.167 1
1 432 . 17 1 1 A 42 42 GLY HA2 H 42 4.252 4.112 0.140 1
1 433 . 17 1 1 A 42 42 GLY HA3 H 42 4.200 4.130 0.070 1
1 434 . 17 1 1 A 42 42 GLY C C 42 173.938 175.374 -1.436 1
1 435 . 17 1 1 A 42 42 GLY CA C 42 44.746 45.550 -0.804 1
1 436 . 17 1 1 A 42 42 GLY N N 42 112.892 113.324 -0.432 1
1 437 . 17 1 1 A 43 43 GLY H H 43 8.709 8.108 0.601 1
1 438 . 17 1 1 A 43 43 GLY HA2 H 43 4.110 3.908 0.202 1
1 439 . 17 1 1 A 43 43 GLY HA3 H 43 3.962 3.913 0.049 1
1 440 . 17 1 1 A 43 43 GLY C C 43 174.713 174.331 0.382 1
1 441 . 17 1 1 A 43 43 GLY CA C 43 45.346 46.867 -1.521 1
1 442 . 17 1 1 A 43 43 GLY N N 43 108.768 110.708 -1.940 1
1 443 . 17 1 1 A 44 44 SER H H 44 8.369 7.836 0.533 1
1 444 . 17 1 1 A 44 44 SER C C 44 175.312 174.268 1.044 1
1 445 . 17 1 1 A 44 44 SER CA C 44 58.723 56.286 2.437 1
1 446 . 17 1 1 A 44 44 SER CB C 44 63.924 64.777 -0.853 1
1 447 . 17 1 1 A 44 44 SER N N 44 115.582 114.845 0.737 1
1 448 . 17 1 1 A 45 45 GLN HA H 45 4.346 4.422 -0.076 1
1 455 . 17 1 1 A 45 45 GLN C C 45 175.931 177.427 -1.496 1
1 456 . 17 1 1 A 45 45 GLN CA C 45 56.358 57.027 -0.669 1
1 457 . 17 1 1 A 45 45 GLN CB C 45 28.392 29.382 -0.990 1
1 460 . 17 1 1 A 46 46 ASP H H 46 8.053 8.196 -0.143 1
1 461 . 17 1 1 A 46 46 ASP HA H 46 4.615 4.442 0.173 1
1 464 . 17 1 1 A 46 46 ASP C C 46 176.998 177.169 -0.171 1
1 465 . 17 1 1 A 46 46 ASP CA C 46 54.188 56.956 -2.768 1
1 466 . 17 1 1 A 46 46 ASP CB C 46 41.099 40.385 0.714 1
1 467 . 17 1 1 A 46 46 ASP N N 46 119.460 118.838 0.622 1
1 468 . 17 1 1 A 47 47 GLY H H 47 8.311 7.961 0.350 1
1 469 . 17 1 1 A 47 47 GLY HA2 H 47 3.970 4.124 -0.154 1
1 470 . 17 1 1 A 47 47 GLY HA3 H 47 3.970 4.185 -0.215 1
1 471 . 17 1 1 A 47 47 GLY C C 47 174.725 173.909 0.816 1
1 472 . 17 1 1 A 47 47 GLY CA C 47 45.892 44.474 1.418 1
1 473 . 17 1 1 A 47 47 GLY N N 47 109.753 108.047 1.706 1
1 474 . 17 1 1 A 48 48 ARG H H 48 8.300 8.753 -0.453 1
1 475 . 17 1 1 A 48 48 ARG HA H 48 4.308 4.649 -0.341 1
1 482 . 17 1 1 A 48 48 ARG C C 48 176.347 176.579 -0.232 1
1 483 . 17 1 1 A 48 48 ARG CA C 48 56.782 55.331 1.451 1
1 484 . 17 1 1 A 48 48 ARG CB C 48 30.654 29.693 0.961 1
1 487 . 17 1 1 A 48 48 ARG N N 48 119.526 118.055 1.471 1
1 488 . 17 1 1 A 49 49 LEU H H 49 7.682 7.361 0.321 1
1 489 . 17 1 1 A 49 49 LEU HA H 49 4.252 3.854 0.398 1
1 499 . 17 1 1 A 49 49 LEU C C 49 174.707 174.862 -0.155 1
1 500 . 17 1 1 A 49 49 LEU CA C 49 53.040 53.701 -0.661 1
1 501 . 17 1 1 A 49 49 LEU CB C 49 41.759 42.408 -0.649 1
1 505 . 17 1 1 A 49 49 LEU N N 49 121.049 124.006 -2.957 1
1 506 . 17 1 1 A 50 50 PRO HA H 50 4.392 4.717 -0.325 1
1 513 . 17 1 1 A 50 50 PRO C C 50 175.058 177.499 -2.441 1
1 514 . 17 1 1 A 50 50 PRO CA C 50 62.323 62.726 -0.403 1
1 515 . 17 1 1 A 50 50 PRO CB C 50 31.353 32.045 -0.692 1
1 518 . 17 1 1 A 51 51 ARG H H 51 8.295 8.979 -0.684 1
1 519 . 17 1 1 A 51 51 ARG HA H 51 4.511 4.233 0.278 1
1 526 . 17 1 1 A 51 51 ARG C C 51 177.443 176.375 1.068 1
1 527 . 17 1 1 A 51 51 ARG CA C 51 56.728 59.069 -2.341 1
1 528 . 17 1 1 A 51 51 ARG CB C 51 31.194 31.247 -0.053 1
1 531 . 17 1 1 A 51 51 ARG N N 51 119.201 121.132 -1.931 1
1 532 . 17 1 1 A 52 52 THR H H 52 7.372 7.733 -0.361 1
1 533 . 17 1 1 A 52 52 THR HA H 52 4.963 4.639 0.324 1
1 538 . 17 1 1 A 52 52 THR C C 52 173.287 173.846 -0.559 1
1 539 . 17 1 1 A 52 52 THR CA C 52 59.411 60.457 -1.046 1
1 540 . 17 1 1 A 52 52 THR CB C 52 71.632 70.566 1.066 1
1 542 . 17 1 1 A 52 52 THR N N 52 109.591 109.954 -0.363 1
1 543 . 17 1 1 A 53 53 ILE H H 53 8.742 8.883 -0.141 1
1 544 . 17 1 1 A 53 53 ILE HA H 53 3.845 4.591 -0.746 1
1 554 . 17 1 1 A 53 53 ILE C C 53 173.374 174.565 -1.191 1
1 555 . 17 1 1 A 53 53 ILE CA C 53 57.735 57.832 -0.097 1
1 556 . 17 1 1 A 53 53 ILE CB C 53 41.196 39.184 2.012 1
1 560 . 17 1 1 A 53 53 ILE N N 53 123.236 125.895 -2.659 1
1 561 . 17 1 1 A 54 54 PRO HA H 54 4.541 4.605 -0.064 1
1 568 . 17 1 1 A 54 54 PRO CA C 54 61.292 62.456 -1.164 1
1 569 . 17 1 1 A 54 54 PRO CB C 54 30.119 31.569 -1.450 1
1 572 . 17 1 1 A 55 55 LEU H H 55 8.146 8.428 -0.282 1
1 573 . 17 1 1 A 55 55 LEU HA H 55 4.262 3.833 0.429 1
1 583 . 17 1 1 A 55 55 LEU CA C 55 58.660 58.881 -0.221 1
1 584 . 17 1 1 A 55 55 LEU CB C 55 39.660 39.556 0.104 1
1 588 . 17 1 1 A 55 55 LEU N N 55 127.224 123.922 3.302 1
1 589 . 17 1 1 A 56 56 PRO HA H 56 4.630 4.320 0.310 1
1 596 . 17 1 1 A 56 56 PRO C C 56 177.498 177.686 -0.188 1
1 597 . 17 1 1 A 56 56 PRO CA C 56 65.782 65.111 0.671 1
1 598 . 17 1 1 A 56 56 PRO CB C 56 31.188 31.592 -0.404 1
1 601 . 17 1 1 A 57 57 SER H H 57 7.722 7.874 -0.152 1
1 602 . 17 1 1 A 57 57 SER HA H 57 4.723 4.780 -0.057 1
1 605 . 17 1 1 A 57 57 SER C C 57 174.102 173.887 0.215 1
1 606 . 17 1 1 A 57 57 SER CA C 57 58.423 58.308 0.115 1
1 607 . 17 1 1 A 57 57 SER CB C 57 63.924 65.181 -1.257 1
1 608 . 17 1 1 A 57 57 SER N N 57 110.169 111.423 -1.254 1
1 609 . 17 1 1 A 58 58 CYS H H 58 8.002 7.341 0.661 1
1 610 . 17 1 1 A 58 58 CYS HA H 58 5.282 4.399 0.883 1
1 613 . 17 1 1 A 58 58 CYS C C 58 174.525 174.199 0.326 1
1 614 . 17 1 1 A 58 58 CYS CA C 58 59.447 59.939 -0.492 1
1 615 . 17 1 1 A 58 58 CYS CB C 58 29.594 27.940 1.654 1
1 616 . 17 1 1 A 58 58 CYS N N 58 118.902 118.399 0.503 1
1 617 . 17 1 1 A 59 59 LYS H H 59 9.242 8.678 0.564 1
1 618 . 17 1 1 A 59 59 LYS HA H 59 4.777 4.790 -0.013 1
1 627 . 17 1 1 A 59 59 LYS C C 59 175.947 175.077 0.870 1
1 628 . 17 1 1 A 59 59 LYS CA C 59 55.299 54.725 0.574 1
1 629 . 17 1 1 A 59 59 LYS CB C 59 34.561 33.788 0.773 1
1 633 . 17 1 1 A 59 59 LYS N N 59 122.306 125.748 -3.442 1
1 634 . 17 1 1 A 60 60 LEU H H 60 9.030 8.910 0.120 1
1 635 . 17 1 1 A 60 60 LEU HA H 60 5.543 4.608 0.935 1
1 645 . 17 1 1 A 60 60 LEU C C 60 176.239 176.054 0.185 1
1 646 . 17 1 1 A 60 60 LEU CA C 60 53.958 54.670 -0.712 1
1 647 . 17 1 1 A 60 60 LEU CB C 60 44.454 42.044 2.410 1
1 651 . 17 1 1 A 60 60 LEU N N 60 129.520 129.051 0.469 1
1 652 . 17 1 1 A 61 61 SER H H 61 9.077 8.474 0.603 1
1 653 . 17 1 1 A 61 61 SER HA H 61 4.832 5.264 -0.432 1
1 656 . 17 1 1 A 61 61 SER C C 61 172.173 173.097 -0.924 1
1 657 . 17 1 1 A 61 61 SER CA C 61 57.558 57.037 0.521 1
1 658 . 17 1 1 A 61 61 SER CB C 61 65.692 65.992 -0.300 1
1 659 . 17 1 1 A 61 61 SER N N 61 117.374 119.241 -1.867 1
1 660 . 17 1 1 A 62 62 VAL H H 62 8.784 8.926 -0.142 1
1 661 . 17 1 1 A 62 62 VAL HA H 62 4.927 4.615 0.312 1
1 669 . 17 1 1 A 62 62 VAL C C 62 174.367 174.519 -0.152 1
1 670 . 17 1 1 A 62 62 VAL CA C 62 59.782 58.573 1.209 1
1 671 . 17 1 1 A 62 62 VAL CB C 62 33.518 34.758 -1.240 1
1 674 . 17 1 1 A 62 62 VAL N N 62 119.929 123.848 -3.919 1
1 675 . 17 1 1 A 63 63 PRO HA H 63 4.495 4.731 -0.236 1
1 682 . 17 1 1 A 63 63 PRO CA C 63 62.526 62.311 0.215 1
1 683 . 17 1 1 A 63 63 PRO CB C 63 32.504 33.022 -0.518 1
1 686 . 17 1 1 A 64 64 ASP H H 64 8.762 8.492 0.270 1
1 687 . 17 1 1 A 64 64 ASP HA H 64 4.780 5.180 -0.400 1
1 690 . 17 1 1 A 64 64 ASP CA C 64 53.231 51.350 1.881 1
1 691 . 17 1 1 A 64 64 ASP CB C 64 41.105 41.382 -0.277 1
1 692 . 17 1 1 A 64 64 ASP N N 64 123.527 120.634 2.893 1
1 693 . 17 1 1 A 65 65 PRO HA H 65 4.371 4.301 0.070 1
1 700 . 17 1 1 A 65 65 PRO C C 65 178.309 178.698 -0.389 1
1 701 . 17 1 1 A 65 65 PRO CA C 65 64.829 65.650 -0.821 1
1 702 . 17 1 1 A 65 65 PRO CB C 65 32.136 31.834 0.302 1
1 705 . 17 1 1 A 66 66 GLU H H 66 8.890 8.418 0.472 1
1 706 . 17 1 1 A 66 66 GLU HA H 66 4.129 4.080 0.049 1
1 711 . 17 1 1 A 66 66 GLU C C 66 177.222 179.843 -2.621 1
1 712 . 17 1 1 A 66 66 GLU CA C 66 57.805 59.923 -2.118 1
1 713 . 17 1 1 A 66 66 GLU CB C 66 29.334 29.119 0.215 1
1 715 . 17 1 1 A 66 66 GLU N N 66 117.225 117.492 -0.267 1
1 716 . 17 1 1 A 67 67 GLU H H 67 7.971 8.053 -0.082 1
1 717 . 17 1 1 A 67 67 GLU HA H 67 4.136 4.010 0.126 1
1 722 . 17 1 1 A 67 67 GLU C C 67 176.058 176.448 -0.390 1
1 723 . 17 1 1 A 67 67 GLU CA C 67 57.328 59.359 -2.031 1
1 724 . 17 1 1 A 67 67 GLU CB C 67 29.594 29.266 0.328 1
1 726 . 17 1 1 A 67 67 GLU N N 67 119.516 119.870 -0.354 1
1 727 . 17 1 1 A 68 68 ARG H H 68 8.020 8.114 -0.094 1
1 728 . 17 1 1 A 68 68 ARG HA H 68 4.043 3.840 0.203 1
1 735 . 17 1 1 A 68 68 ARG C C 68 175.591 175.606 -0.015 1
1 736 . 17 1 1 A 68 68 ARG CA C 68 56.075 56.913 -0.838 1
1 737 . 17 1 1 A 68 68 ARG CB C 68 28.927 27.493 1.434 1
1 740 . 17 1 1 A 68 68 ARG N N 68 118.917 116.971 1.946 1
1 741 . 17 1 1 A 69 69 LEU H H 69 8.188 7.910 0.278 1
1 742 . 17 1 1 A 69 69 LEU HA H 69 4.372 4.434 -0.062 1
1 752 . 17 1 1 A 69 69 LEU C C 69 176.013 178.016 -2.003 1
1 753 . 17 1 1 A 69 69 LEU CA C 69 54.682 54.622 0.060 1
1 754 . 17 1 1 A 69 69 LEU CB C 69 43.238 42.640 0.598 1
1 758 . 17 1 1 A 69 69 LEU N N 69 122.935 120.160 2.775 1
1 759 . 17 1 1 A 70 70 ASP H H 70 8.382 8.908 -0.526 1
1 760 . 17 1 1 A 70 70 ASP HA H 70 4.123 4.450 -0.327 1
1 763 . 17 1 1 A 70 70 ASP C C 70 175.200 175.866 -0.666 1
1 764 . 17 1 1 A 70 70 ASP CA C 70 54.558 57.035 -2.477 1
1 765 . 17 1 1 A 70 70 ASP CB C 70 40.634 41.373 -0.739 1
1 766 . 17 1 1 A 70 70 ASP N N 70 119.400 122.241 -2.841 1
1 767 . 17 1 1 A 71 71 SER H H 71 7.391 7.541 -0.150 1
1 768 . 17 1 1 A 71 71 SER HA H 71 4.233 4.381 -0.148 1
1 771 . 17 1 1 A 71 71 SER C C 71 174.294 174.370 -0.076 1
1 772 . 17 1 1 A 71 71 SER CA C 71 58.017 57.449 0.568 1
1 773 . 17 1 1 A 71 71 SER CB C 71 63.430 65.003 -1.573 1
1 774 . 17 1 1 A 71 71 SER N N 71 114.807 111.872 2.935 1
1 775 . 17 1 1 A 72 72 GLY H H 72 7.981 8.157 -0.176 1
1 776 . 17 1 1 A 72 72 GLY HA2 H 72 3.702 3.627 0.075 1
1 777 . 17 1 1 A 72 72 GLY HA3 H 72 3.610 3.749 -0.139 1
1 778 . 17 1 1 A 72 72 GLY C C 72 172.912 173.623 -0.711 1
1 779 . 17 1 1 A 72 72 GLY CA C 72 44.675 46.164 -1.489 1
1 780 . 17 1 1 A 72 72 GLY N N 72 108.675 111.639 -2.964 1
1 781 . 17 1 1 A 73 73 HIS H H 73 8.462 8.007 0.455 1
1 782 . 17 1 1 A 73 73 HIS HA H 73 4.859 5.218 -0.359 1
1 787 . 17 1 1 A 73 73 HIS C C 73 174.804 173.997 0.807 1
1 788 . 17 1 1 A 73 73 HIS CA C 73 54.700 54.577 0.123 1
1 789 . 17 1 1 A 73 73 HIS CB C 73 28.762 30.583 -1.821 1
1 792 . 17 1 1 A 73 73 HIS N N 73 122.843 117.504 5.339 1
1 793 . 17 1 1 A 74 74 VAL H H 74 7.682 8.812 -1.130 1
1 794 . 17 1 1 A 74 74 VAL HA H 74 5.402 4.843 0.559 1
1 802 . 17 1 1 A 74 74 VAL C C 74 176.121 173.553 2.568 1
1 803 . 17 1 1 A 74 74 VAL CA C 74 61.246 60.281 0.965 1
1 804 . 17 1 1 A 74 74 VAL CB C 74 35.383 35.680 -0.297 1
1 807 . 17 1 1 A 74 74 VAL N N 74 120.824 121.757 -0.933 1
1 808 . 17 1 1 A 75 75 TRP H H 75 9.581 8.491 1.090 1
1 809 . 17 1 1 A 75 75 TRP HA H 75 5.342 5.921 -0.579 1
1 818 . 17 1 1 A 75 75 TRP C C 75 171.123 173.359 -2.236 1
1 819 . 17 1 1 A 75 75 TRP CA C 75 57.046 54.738 2.308 1
1 820 . 17 1 1 A 75 75 TRP CB C 75 32.834 33.036 -0.202 1
1 826 . 17 1 1 A 75 75 TRP N N 75 124.656 124.564 0.092 1
1 828 . 17 1 1 A 76 76 LYS H H 76 9.557 9.258 0.299 1
1 829 . 17 1 1 A 76 76 LYS HA H 76 5.192 4.478 0.714 1
1 838 . 17 1 1 A 76 76 LYS C C 76 174.801 174.737 0.064 1
1 839 . 17 1 1 A 76 76 LYS CA C 76 54.876 54.874 0.002 1
1 840 . 17 1 1 A 76 76 LYS CB C 76 36.740 33.909 2.831 1
1 844 . 17 1 1 A 76 76 LYS N N 76 121.724 121.275 0.449 1
1 845 . 17 1 1 A 77 77 LEU H H 77 8.957 8.767 0.190 1
1 846 . 17 1 1 A 77 77 LEU HA H 77 5.272 5.250 0.022 1
1 856 . 17 1 1 A 77 77 LEU C C 77 174.927 175.128 -0.201 1
1 857 . 17 1 1 A 77 77 LEU CA C 77 54.046 54.181 -0.135 1
1 858 . 17 1 1 A 77 77 LEU CB C 77 46.281 44.604 1.677 1
1 862 . 17 1 1 A 77 77 LEU N N 77 124.578 125.986 -1.408 1
1 863 . 17 1 1 A 78 78 GLN H H 78 8.629 8.660 -0.031 1
1 864 . 17 1 1 A 78 78 GLN HA H 78 5.308 5.305 0.003 1
1 871 . 17 1 1 A 78 78 GLN C C 78 174.564 174.778 -0.214 1
1 872 . 17 1 1 A 78 78 GLN CA C 78 54.452 54.537 -0.085 1
1 873 . 17 1 1 A 78 78 GLN CB C 78 32.833 31.254 1.579 1
1 875 . 17 1 1 A 78 78 GLN N N 78 121.344 125.146 -3.802 1
1 877 . 17 1 1 A 79 79 TRP H H 79 8.601 8.578 0.023 1
1 878 . 17 1 1 A 79 79 TRP HA H 79 5.003 4.987 0.016 1
1 887 . 17 1 1 A 79 79 TRP C C 79 173.001 174.078 -1.077 1
1 888 . 17 1 1 A 79 79 TRP CA C 79 56.323 56.745 -0.422 1
1 889 . 17 1 1 A 79 79 TRP CB C 79 32.258 31.499 0.759 1
1 895 . 17 1 1 A 79 79 TRP N N 79 128.274 123.781 4.493 1
1 897 . 17 1 1 A 80 80 ALA H H 80 9.181 9.305 -0.124 1
1 898 . 17 1 1 A 80 80 ALA HA H 80 3.933 3.909 0.024 1
1 902 . 17 1 1 A 80 80 ALA C C 80 177.360 176.285 1.075 1
1 903 . 17 1 1 A 80 80 ALA CA C 80 54.222 53.220 1.002 1
1 904 . 17 1 1 A 80 80 ALA CB C 80 17.329 17.220 0.109 1
1 905 . 17 1 1 A 80 80 ALA N N 80 126.348 121.627 4.721 1
1 906 . 17 1 1 A 81 81 LYS H H 81 8.163 8.392 -0.229 1
1 907 . 17 1 1 A 81 81 LYS HA H 81 4.290 3.690 0.600 1
1 916 . 17 1 1 A 81 81 LYS C C 81 176.068 174.801 1.267 1
1 917 . 17 1 1 A 81 81 LYS CA C 81 56.305 57.452 -1.147 1
1 918 . 17 1 1 A 81 81 LYS CB C 81 31.312 29.493 1.819 1
1 922 . 17 1 1 A 81 81 LYS N N 81 120.289 107.368 12.921 1
1 923 . 17 1 1 A 82 82 GLN H H 82 8.423 7.647 0.776 1
1 924 . 17 1 1 A 82 82 GLN HA H 82 4.255 4.715 -0.460 1
1 931 . 17 1 1 A 82 82 GLN C C 82 174.996 174.147 0.849 1
1 932 . 17 1 1 A 82 82 GLN CA C 82 54.805 53.768 1.037 1
1 933 . 17 1 1 A 82 82 GLN CB C 82 30.942 32.023 -1.081 1
1 935 . 17 1 1 A 82 82 GLN N N 82 119.918 116.833 3.085 1
1 937 . 17 1 1 A 83 83 SER H H 83 7.683 8.011 -0.328 1
1 938 . 17 1 1 A 83 83 SER HA H 83 4.991 5.543 -0.552 1
1 941 . 17 1 1 A 83 83 SER C C 83 171.947 172.317 -0.370 1
1 942 . 17 1 1 A 83 83 SER CA C 83 57.629 57.619 0.010 1
1 943 . 17 1 1 A 83 83 SER CB C 83 64.664 65.618 -0.954 1
1 944 . 17 1 1 A 83 83 SER N N 83 115.649 112.712 2.937 1
1 945 . 17 1 1 A 84 84 TRP H H 84 8.665 8.936 -0.271 1
1 946 . 17 1 1 A 84 84 TRP HA H 84 4.714 5.058 -0.344 1
1 955 . 17 1 1 A 84 84 TRP C C 84 174.105 174.687 -0.582 1
1 956 . 17 1 1 A 84 84 TRP CA C 84 56.834 56.208 0.626 1
1 957 . 17 1 1 A 84 84 TRP CB C 84 33.368 33.541 -0.173 1
1 963 . 17 1 1 A 84 84 TRP N N 84 122.334 124.086 -1.752 1
1 965 . 17 1 1 A 85 85 TYR H H 85 9.220 9.030 0.190 1
1 966 . 17 1 1 A 85 85 TYR HA H 85 5.209 5.224 -0.015 1
1 973 . 17 1 1 A 85 85 TYR C C 85 175.136 174.955 0.181 1
1 974 . 17 1 1 A 85 85 TYR CA C 85 56.993 57.241 -0.248 1
1 975 . 17 1 1 A 85 85 TYR CB C 85 41.058 40.283 0.775 1
1 980 . 17 1 1 A 85 85 TYR N N 85 117.934 122.481 -4.547 1
1 981 . 17 1 1 A 86 86 LEU H H 86 8.662 9.044 -0.382 1
1 982 . 17 1 1 A 86 86 LEU HA H 86 5.172 4.732 0.440 1
1 992 . 17 1 1 A 86 86 LEU C C 86 174.454 174.353 0.101 1
1 993 . 17 1 1 A 86 86 LEU CA C 86 53.587 52.979 0.608 1
1 994 . 17 1 1 A 86 86 LEU CB C 86 43.773 42.335 1.438 1
1 998 . 17 1 1 A 86 86 LEU N N 86 121.945 124.558 -2.613 1
1 999 . 17 1 1 A 87 87 SER H H 87 8.642 8.471 0.171 1
1 1000 . 17 1 1 A 87 87 SER HA H 87 4.995 5.120 -0.125 1
1 1003 . 17 1 1 A 87 87 SER C C 87 173.683 173.387 0.296 1
1 1004 . 17 1 1 A 87 87 SER CA C 87 55.052 57.039 -1.987 1
1 1005 . 17 1 1 A 87 87 SER CB C 87 65.487 64.349 1.138 1
1 1006 . 17 1 1 A 87 87 SER N N 87 111.719 120.818 -9.099 1
1 1007 . 17 1 1 A 88 88 ALA H H 88 8.472 8.848 -0.376 1
1 1008 . 17 1 1 A 88 88 ALA HA H 88 5.184 4.845 0.339 1
1 1012 . 17 1 1 A 88 88 ALA C C 88 178.012 177.889 0.123 1
1 1013 . 17 1 1 A 88 88 ALA CA C 88 49.423 50.130 -0.707 1
1 1014 . 17 1 1 A 88 88 ALA CB C 88 22.919 21.857 1.062 1
1 1015 . 17 1 1 A 88 88 ALA N N 88 126.939 130.000 -3.061 1
1 1016 . 17 1 1 A 89 89 SER H H 89 8.182 8.581 -0.399 1
1 1017 . 17 1 1 A 89 89 SER HA H 89 4.274 4.218 0.056 1
1 1020 . 17 1 1 A 89 89 SER C C 89 174.039 174.633 -0.594 1
1 1021 . 17 1 1 A 89 89 SER CA C 89 60.135 61.810 -1.675 1
1 1022 . 17 1 1 A 89 89 SER CB C 89 63.571 63.059 0.512 1
1 1023 . 17 1 1 A 89 89 SER N N 89 111.359 116.861 -5.502 1
1 1024 . 17 1 1 A 90 90 SER H H 90 7.392 7.804 -0.412 1
1 1025 . 17 1 1 A 90 90 SER HA H 90 4.383 4.306 0.077 1
1 1028 . 17 1 1 A 90 90 SER C C 90 173.114 173.842 -0.728 1
1 1029 . 17 1 1 A 90 90 SER CA C 90 56.023 56.916 -0.893 1
1 1030 . 17 1 1 A 90 90 SER CB C 90 67.108 65.069 2.039 1
1 1031 . 17 1 1 A 90 90 SER N N 90 113.112 112.219 0.893 1
1 1032 . 17 1 1 A 91 91 ALA H H 91 8.532 7.987 0.545 1
1 1033 . 17 1 1 A 91 91 ALA HA H 91 3.763 3.925 -0.162 1
1 1037 . 17 1 1 A 91 91 ALA C C 91 179.816 179.490 0.326 1
1 1038 . 17 1 1 A 91 91 ALA CA C 91 54.699 55.312 -0.613 1
1 1039 . 17 1 1 A 91 91 ALA CB C 91 18.111 18.168 -0.057 1
1 1040 . 17 1 1 A 91 91 ALA N N 91 123.767 123.153 0.614 1
1 1041 . 17 1 1 A 92 92 GLU H H 92 8.766 8.063 0.703 1
1 1042 . 17 1 1 A 92 92 GLU HA H 92 3.942 4.350 -0.408 1
1 1047 . 17 1 1 A 92 92 GLU C C 92 179.568 178.433 1.135 1
1 1048 . 17 1 1 A 92 92 GLU CA C 92 60.206 59.366 0.840 1
1 1049 . 17 1 1 A 92 92 GLU CB C 92 28.721 29.506 -0.785 1
1 1051 . 17 1 1 A 92 92 GLU N N 92 118.712 118.547 0.165 1
1 1052 . 17 1 1 A 93 93 LEU H H 93 7.852 7.968 -0.116 1
1 1053 . 17 1 1 A 93 93 LEU HA H 93 4.274 4.126 0.148 1
1 1063 . 17 1 1 A 93 93 LEU C C 93 178.805 178.579 0.226 1
1 1064 . 17 1 1 A 93 93 LEU CA C 93 57.382 57.090 0.292 1
1 1065 . 17 1 1 A 93 93 LEU CB C 93 43.115 41.439 1.676 1
1 1069 . 17 1 1 A 93 93 LEU N N 93 121.212 121.488 -0.276 1
1 1070 . 17 1 1 A 94 94 GLN H H 94 8.080 8.497 -0.417 1
1 1071 . 17 1 1 A 94 94 GLN HA H 94 3.843 4.305 -0.462 1
1 1078 . 17 1 1 A 94 94 GLN C C 94 176.960 178.215 -1.255 1
1 1079 . 17 1 1 A 94 94 GLN CA C 94 59.694 59.341 0.353 1
1 1080 . 17 1 1 A 94 94 GLN CB C 94 28.063 28.822 -0.759 1
1 1082 . 17 1 1 A 94 94 GLN N N 94 120.439 119.342 1.097 1
1 1084 . 17 1 1 A 95 95 GLN H H 95 8.293 8.639 -0.346 1
1 1085 . 17 1 1 A 95 95 GLN HA H 95 3.779 4.037 -0.258 1
1 1092 . 17 1 1 A 95 95 GLN C C 95 177.938 177.779 0.159 1
1 1093 . 17 1 1 A 95 95 GLN CA C 95 59.005 58.835 0.170 1
1 1094 . 17 1 1 A 95 95 GLN CB C 95 27.610 28.326 -0.716 1
1 1096 . 17 1 1 A 95 95 GLN N N 95 117.408 117.167 0.241 1
1 1098 . 17 1 1 A 96 96 GLN H H 96 7.731 7.879 -0.148 1
1 1099 . 17 1 1 A 96 96 GLN HA H 96 3.966 4.000 -0.034 1
1 1106 . 17 1 1 A 96 96 GLN C C 96 179.685 177.508 2.177 1
1 1107 . 17 1 1 A 96 96 GLN CA C 96 58.987 58.086 0.901 1
1 1108 . 17 1 1 A 96 96 GLN CB C 96 28.433 28.140 0.293 1
1 1110 . 17 1 1 A 96 96 GLN N N 96 119.621 117.421 2.200 1
1 1112 . 17 1 1 A 97 97 TRP H H 97 8.410 7.352 1.058 1
1 1113 . 17 1 1 A 97 97 TRP HA H 97 3.792 4.384 -0.592 1
1 1122 . 17 1 1 A 97 97 TRP C C 97 178.515 178.820 -0.305 1
1 1123 . 17 1 1 A 97 97 TRP CA C 97 61.670 59.784 1.886 1
1 1124 . 17 1 1 A 97 97 TRP CB C 97 29.972 30.053 -0.081 1
1 1130 . 17 1 1 A 97 97 TRP N N 97 121.370 120.182 1.188 1
1 1132 . 17 1 1 A 98 98 LEU H H 98 8.505 8.099 0.406 1
1 1133 . 17 1 1 A 98 98 LEU HA H 98 3.485 3.533 -0.048 1
1 1143 . 17 1 1 A 98 98 LEU C C 98 180.194 178.971 1.223 1
1 1144 . 17 1 1 A 98 98 LEU CA C 98 58.706 57.935 0.771 1
1 1145 . 17 1 1 A 98 98 LEU CB C 98 41.141 41.185 -0.044 1
1 1149 . 17 1 1 A 98 98 LEU N N 98 119.038 119.925 -0.887 1
1 1150 . 17 1 1 A 99 99 GLU H H 99 8.241 8.361 -0.120 1
1 1151 . 17 1 1 A 99 99 GLU HA H 99 3.927 3.974 -0.047 1
1 1156 . 17 1 1 A 99 99 GLU C C 99 179.082 179.042 0.040 1
1 1157 . 17 1 1 A 99 99 GLU CA C 99 59.587 59.299 0.288 1
1 1158 . 17 1 1 A 99 99 GLU CB C 99 29.296 29.442 -0.146 1
1 1160 . 17 1 1 A 99 99 GLU N N 99 119.886 117.124 2.762 1
1 1161 . 17 1 1 A 100 100 THR H H 100 7.780 7.628 0.152 1
1 1162 . 17 1 1 A 100 100 THR HA H 100 3.862 3.893 -0.031 1
1 1167 . 17 1 1 A 100 100 THR C C 100 176.899 176.498 0.401 1
1 1168 . 17 1 1 A 100 100 THR CA C 100 67.088 66.862 0.226 1
1 1169 . 17 1 1 A 100 100 THR CB C 100 68.178 68.157 0.021 1
1 1171 . 17 1 1 A 100 100 THR N N 100 116.913 115.115 1.798 1
1 1172 . 17 1 1 A 101 101 LEU H H 101 9.159 8.229 0.930 1
1 1173 . 17 1 1 A 101 101 LEU HA H 101 3.993 3.882 0.111 1
1 1183 . 17 1 1 A 101 101 LEU C C 101 178.416 179.053 -0.637 1
1 1184 . 17 1 1 A 101 101 LEU CA C 101 58.017 57.960 0.057 1
1 1185 . 17 1 1 A 101 101 LEU CB C 101 42.004 41.381 0.623 1
1 1189 . 17 1 1 A 101 101 LEU N N 101 121.065 120.721 0.344 1
1 1190 . 17 1 1 A 102 102 SER H H 102 7.978 8.357 -0.379 1
1 1191 . 17 1 1 A 102 102 SER HA H 102 4.094 4.064 0.030 1
1 1194 . 17 1 1 A 102 102 SER C C 102 176.370 177.376 -1.006 1
1 1195 . 17 1 1 A 102 102 SER CA C 102 61.794 61.485 0.309 1
1 1196 . 17 1 1 A 102 102 SER CB C 102 62.855 63.139 -0.284 1
1 1197 . 17 1 1 A 102 102 SER N N 102 112.923 113.540 -0.617 1
1 1198 . 17 1 1 A 103 103 THR H H 103 7.683 8.531 -0.848 1
1 1199 . 17 1 1 A 103 103 THR HA H 103 4.020 3.936 0.084 1
1 1204 . 17 1 1 A 103 103 THR C C 103 176.061 176.654 -0.593 1
1 1205 . 17 1 1 A 103 103 THR CA C 103 65.412 66.612 -1.200 1
1 1206 . 17 1 1 A 103 103 THR CB C 103 68.918 68.827 0.091 1
1 1208 . 17 1 1 A 103 103 THR N N 103 116.420 117.512 -1.092 1
1 1209 . 17 1 1 A 104 104 ALA H H 104 7.760 7.740 0.020 1
1 1210 . 17 1 1 A 104 104 ALA HA H 104 4.272 4.276 -0.004 1
1 1214 . 17 1 1 A 104 104 ALA C C 104 178.160 178.007 0.153 1
1 1215 . 17 1 1 A 104 104 ALA CA C 104 54.011 53.339 0.672 1
1 1216 . 17 1 1 A 104 104 ALA CB C 104 20.155 18.676 1.479 1
1 1217 . 17 1 1 A 104 104 ALA N N 104 123.981 123.710 0.271 1
1 1218 . 17 1 1 A 105 105 ALA H H 105 7.824 7.764 0.060 1
1 1219 . 17 1 1 A 105 105 ALA HA H 105 4.092 4.639 -0.547 1
1 1223 . 17 1 1 A 105 105 ALA C C 105 177.657 178.202 -0.545 1
1 1224 . 17 1 1 A 105 105 ALA CA C 105 53.058 51.333 1.725 1
1 1225 . 17 1 1 A 105 105 ALA CB C 105 19.067 19.168 -0.101 1
1 1226 . 17 1 1 A 105 105 ALA N N 105 118.227 120.295 -2.068 1
1 1227 . 17 1 1 A 106 106 HIS H H 106 7.675 8.202 -0.527 1
1 1228 . 17 1 1 A 106 106 HIS HA H 106 4.703 4.222 0.481 1
1 1233 . 17 1 1 A 106 106 HIS C C 106 175.296 175.576 -0.280 1
1 1234 . 17 1 1 A 106 106 HIS CA C 106 56.287 59.460 -3.173 1
1 1235 . 17 1 1 A 106 106 HIS CB C 106 30.407 28.968 1.439 1
1 1238 . 17 1 1 A 106 106 HIS N N 106 115.860 118.174 -2.314 1
1 1239 . 17 1 1 A 107 107 SER H H 107 8.015 6.995 1.020 1
1 1240 . 17 1 1 A 107 107 SER HA H 107 4.560 3.758 0.802 1
1 1243 . 17 1 1 A 107 107 SER C C 107 174.345 173.149 1.196 1
1 1244 . 17 1 1 A 107 107 SER CA C 107 58.546 59.333 -0.787 1
1 1245 . 17 1 1 A 107 107 SER CB C 107 64.130 60.911 3.219 1
1 1246 . 17 1 1 A 107 107 SER N N 107 116.310 110.749 5.561 1
1 1247 . 17 1 1 A 108 108 GLY H H 108 8.282 7.267 1.015 1
1 1248 . 17 1 1 A 108 108 GLY HA2 H 108 4.213 4.136 0.077 1
1 1249 . 17 1 1 A 108 108 GLY HA3 H 108 4.042 4.138 -0.096 1
1 1250 . 17 1 1 A 108 108 GLY C C 108 171.750 173.562 -1.812 1
1 1251 . 17 1 1 A 108 108 GLY CA C 108 44.640 45.735 -1.095 1
1 1252 . 17 1 1 A 108 108 GLY N N 108 110.511 107.568 2.943 1
1 1253 . 17 1 1 A 109 109 PRO HA H 109 4.497 4.657 -0.160 1
1 1260 . 17 1 1 A 109 109 PRO C C 109 177.419 176.477 0.942 1
1 1261 . 17 1 1 A 109 109 PRO CA C 109 63.241 64.371 -1.130 1
1 1262 . 17 1 1 A 109 109 PRO CB C 109 32.264 32.246 0.018 1
1 1265 . 17 1 1 A 110 110 SER H H 110 8.558 8.367 0.191 1
1 1266 . 17 1 1 A 110 110 SER C C 110 174.715 174.665 0.050 1
1 1267 . 17 1 1 A 110 110 SER CA C 110 58.335 57.767 0.568 1
1 1268 . 17 1 1 A 110 110 SER CB C 110 63.759 63.126 0.633 1
1 1269 . 17 1 1 A 110 110 SER N N 110 116.470 114.608 1.862 1
1 1270 . 17 1 1 A 111 111 SER H H 111 8.357 8.677 -0.320 1
1 1271 . 17 1 1 A 111 111 SER C C 111 173.931 175.796 -1.865 1
1 1272 . 17 1 1 A 111 111 SER CA C 111 58.335 58.998 -0.663 1
1 1 . 18 1 1 A 8 8 SER HA H 8 5.012 5.127 -0.115 1
1 4 . 18 1 1 A 8 8 SER CA C 8 58.166 57.720 0.446 1
1 5 . 18 1 1 A 8 8 SER CB C 8 64.582 65.390 -0.808 1
1 6 . 18 1 1 A 9 9 LEU H H 9 9.253 8.158 1.095 1
1 7 . 18 1 1 A 9 9 LEU HA H 9 4.091 4.048 0.043 1
1 17 . 18 1 1 A 9 9 LEU C C 9 176.799 176.591 0.208 1
1 18 . 18 1 1 A 9 9 LEU CA C 9 57.523 57.443 0.080 1
1 19 . 18 1 1 A 9 9 LEU CB C 9 42.703 42.300 0.403 1
1 23 . 18 1 1 A 9 9 LEU N N 9 127.432 126.858 0.574 1
1 24 . 18 1 1 A 10 10 LEU H H 10 6.827 7.885 -1.058 1
1 25 . 18 1 1 A 10 10 LEU HA H 10 4.201 4.654 -0.453 1
1 35 . 18 1 1 A 10 10 LEU C C 10 173.779 174.610 -0.831 1
1 36 . 18 1 1 A 10 10 LEU CA C 10 54.399 53.809 0.590 1
1 37 . 18 1 1 A 10 10 LEU CB C 10 45.006 45.574 -0.568 1
1 41 . 18 1 1 A 10 10 LEU N N 10 116.105 117.840 -1.735 1
1 42 . 18 1 1 A 11 11 CYS H H 11 7.989 8.887 -0.898 1
1 43 . 18 1 1 A 11 11 CYS HA H 11 5.743 5.242 0.501 1
1 46 . 18 1 1 A 11 11 CYS C C 11 172.654 173.174 -0.520 1
1 47 . 18 1 1 A 11 11 CYS CA C 11 55.546 57.080 -1.534 1
1 48 . 18 1 1 A 11 11 CYS CB C 11 31.333 31.314 0.019 1
1 49 . 18 1 1 A 11 11 CYS N N 11 117.939 122.789 -4.850 1
1 50 . 18 1 1 A 12 12 GLY H H 12 8.479 7.399 1.080 1
1 51 . 18 1 1 A 12 12 GLY HA2 H 12 4.419 3.836 0.583 1
1 52 . 18 1 1 A 12 12 GLY HA3 H 12 2.832 4.126 -1.294 1
1 53 . 18 1 1 A 12 12 GLY C C 12 168.720 171.246 -2.526 1
1 54 . 18 1 1 A 12 12 GLY CA C 12 44.710 45.005 -0.295 1
1 55 . 18 1 1 A 12 12 GLY N N 12 109.046 107.007 2.039 1
1 56 . 18 1 1 A 13 13 PRO HA H 13 5.163 4.528 0.635 1
1 63 . 18 1 1 A 13 13 PRO C C 13 177.501 175.172 2.329 1
1 64 . 18 1 1 A 13 13 PRO CA C 13 62.182 63.274 -1.092 1
1 65 . 18 1 1 A 13 13 PRO CB C 13 32.587 32.068 0.519 1
1 68 . 18 1 1 A 14 14 LEU H H 14 8.630 8.643 -0.013 1
1 69 . 18 1 1 A 14 14 LEU HA H 14 4.764 4.985 -0.221 1
1 79 . 18 1 1 A 14 14 LEU C C 14 175.698 174.281 1.417 1
1 80 . 18 1 1 A 14 14 LEU CA C 14 53.975 53.013 0.962 1
1 81 . 18 1 1 A 14 14 LEU CB C 14 48.936 46.009 2.927 1
1 85 . 18 1 1 A 14 14 LEU N N 14 122.246 123.951 -1.705 1
1 86 . 18 1 1 A 15 15 ARG H H 15 8.498 7.786 0.712 1
1 87 . 18 1 1 A 15 15 ARG HA H 15 5.421 5.293 0.128 1
1 95 . 18 1 1 A 15 15 ARG C C 15 174.664 174.833 -0.169 1
1 96 . 18 1 1 A 15 15 ARG CA C 15 54.858 54.048 0.810 1
1 97 . 18 1 1 A 15 15 ARG CB C 15 34.085 33.914 0.171 1
1 100 . 18 1 1 A 15 15 ARG N N 15 118.593 122.927 -4.334 1
1 102 . 18 1 1 A 16 16 LEU H H 16 9.244 8.715 0.529 1
1 103 . 18 1 1 A 16 16 LEU HA H 16 5.662 5.334 0.328 1
1 113 . 18 1 1 A 16 16 LEU C C 16 176.872 174.834 2.038 1
1 114 . 18 1 1 A 16 16 LEU CA C 16 53.746 54.325 -0.579 1
1 115 . 18 1 1 A 16 16 LEU CB C 16 47.803 46.050 1.753 1
1 119 . 18 1 1 A 16 16 LEU N N 16 123.893 124.068 -0.175 1
1 120 . 18 1 1 A 17 17 SER H H 17 8.982 8.433 0.549 1
1 121 . 18 1 1 A 17 17 SER HA H 17 4.484 5.340 -0.856 1
1 124 . 18 1 1 A 17 17 SER C C 17 173.790 172.768 1.022 1
1 125 . 18 1 1 A 17 17 SER CA C 17 57.081 56.650 0.431 1
1 126 . 18 1 1 A 17 17 SER CB C 17 64.487 65.213 -0.726 1
1 127 . 18 1 1 A 17 17 SER N N 17 117.455 119.485 -2.030 1
1 128 . 18 1 1 A 18 18 GLU H H 18 9.102 8.706 0.396 1
1 129 . 18 1 1 A 18 18 GLU HA H 18 3.832 4.576 -0.744 1
1 134 . 18 1 1 A 18 18 GLU C C 18 176.185 176.934 -0.749 1
1 135 . 18 1 1 A 18 18 GLU CA C 18 58.793 55.459 3.334 1
1 136 . 18 1 1 A 18 18 GLU CB C 18 30.037 29.573 0.464 1
1 138 . 18 1 1 A 18 18 GLU N N 18 129.354 122.659 6.695 1
1 139 . 18 1 1 A 19 19 SER H H 19 7.792 9.236 -1.444 1
1 140 . 18 1 1 A 19 19 SER HA H 19 4.650 4.247 0.403 1
1 143 . 18 1 1 A 19 19 SER C C 19 175.321 173.807 1.514 1
1 144 . 18 1 1 A 19 19 SER CA C 19 57.699 59.304 -1.605 1
1 145 . 18 1 1 A 19 19 SER CB C 19 65.816 62.024 3.792 1
1 146 . 18 1 1 A 19 19 SER N N 19 108.812 120.015 -11.203 1
1 147 . 18 1 1 A 20 20 GLY H H 20 8.376 8.447 -0.071 1
1 148 . 18 1 1 A 20 20 GLY HA2 H 20 3.931 3.233 0.698 1
1 149 . 18 1 1 A 20 20 GLY HA3 H 20 2.690 3.507 -0.817 1
1 150 . 18 1 1 A 20 20 GLY C C 20 172.644 174.184 -1.540 1
1 151 . 18 1 1 A 20 20 GLY CA C 20 44.746 46.644 -1.898 1
1 152 . 18 1 1 A 20 20 GLY N N 20 111.458 105.722 5.736 1
1 153 . 18 1 1 A 21 21 GLU H H 21 7.522 7.661 -0.139 1
1 154 . 18 1 1 A 21 21 GLU HA H 21 4.274 4.587 -0.313 1
1 159 . 18 1 1 A 21 21 GLU C C 21 176.266 175.671 0.595 1
1 160 . 18 1 1 A 21 21 GLU CA C 21 58.069 57.459 0.610 1
1 161 . 18 1 1 A 21 21 GLU CB C 21 31.024 32.691 -1.667 1
1 163 . 18 1 1 A 21 21 GLU N N 21 119.071 119.423 -0.352 1
1 164 . 18 1 1 A 22 22 THR H H 22 7.436 7.902 -0.466 1
1 165 . 18 1 1 A 22 22 THR HA H 22 4.618 4.891 -0.273 1
1 170 . 18 1 1 A 22 22 THR C C 22 173.662 172.873 0.789 1
1 171 . 18 1 1 A 22 22 THR CA C 22 60.682 60.649 0.033 1
1 172 . 18 1 1 A 22 22 THR CB C 22 70.504 71.371 -0.867 1
1 174 . 18 1 1 A 22 22 THR N N 22 111.176 108.993 2.183 1
1 175 . 18 1 1 A 23 23 TRP H H 23 9.121 8.880 0.241 1
1 176 . 18 1 1 A 23 23 TRP HA H 23 4.983 5.511 -0.528 1
1 185 . 18 1 1 A 23 23 TRP C C 23 175.888 176.315 -0.427 1
1 186 . 18 1 1 A 23 23 TRP CA C 23 56.570 56.667 -0.097 1
1 187 . 18 1 1 A 23 23 TRP CB C 23 32.176 30.764 1.412 1
1 193 . 18 1 1 A 23 23 TRP N N 23 127.096 126.447 0.649 1
1 195 . 18 1 1 A 24 24 SER H H 24 9.273 9.008 0.265 1
1 196 . 18 1 1 A 24 24 SER HA H 24 4.948 5.174 -0.226 1
1 199 . 18 1 1 A 24 24 SER C C 24 173.268 173.248 0.020 1
1 200 . 18 1 1 A 24 24 SER CA C 24 57.346 57.541 -0.195 1
1 201 . 18 1 1 A 24 24 SER CB C 24 65.445 66.455 -1.010 1
1 202 . 18 1 1 A 24 24 SER N N 24 118.031 117.058 0.973 1
1 203 . 18 1 1 A 25 25 GLU H H 25 8.990 8.519 0.471 1
1 204 . 18 1 1 A 25 25 GLU HA H 25 4.737 4.532 0.205 1
1 209 . 18 1 1 A 25 25 GLU C C 25 176.246 176.241 0.005 1
1 210 . 18 1 1 A 25 25 GLU CA C 25 57.170 56.379 0.791 1
1 211 . 18 1 1 A 25 25 GLU CB C 25 30.202 30.074 0.128 1
1 213 . 18 1 1 A 25 25 GLU N N 25 125.088 123.367 1.721 1
1 214 . 18 1 1 A 26 26 VAL H H 26 9.012 9.200 -0.188 1
1 215 . 18 1 1 A 26 26 VAL HA H 26 5.002 5.050 -0.048 1
1 223 . 18 1 1 A 26 26 VAL C C 26 174.304 173.592 0.712 1
1 224 . 18 1 1 A 26 26 VAL CA C 26 58.917 59.066 -0.149 1
1 225 . 18 1 1 A 26 26 VAL CB C 26 35.753 36.194 -0.441 1
1 228 . 18 1 1 A 26 26 VAL N N 26 118.076 119.287 -1.211 1
1 229 . 18 1 1 A 27 27 TRP H H 27 8.880 8.749 0.131 1
1 230 . 18 1 1 A 27 27 TRP HA H 27 4.814 5.533 -0.719 1
1 239 . 18 1 1 A 27 27 TRP C C 27 174.255 174.224 0.031 1
1 240 . 18 1 1 A 27 27 TRP CA C 27 57.117 55.016 2.101 1
1 241 . 18 1 1 A 27 27 TRP CB C 27 30.325 32.638 -2.313 1
1 247 . 18 1 1 A 27 27 TRP N N 27 122.873 125.229 -2.356 1
1 249 . 18 1 1 A 28 28 ALA H H 28 8.482 8.619 -0.137 1
1 250 . 18 1 1 A 28 28 ALA HA H 28 5.329 5.288 0.041 1
1 254 . 18 1 1 A 28 28 ALA C C 28 175.519 175.834 -0.315 1
1 255 . 18 1 1 A 28 28 ALA CA C 28 49.670 50.129 -0.459 1
1 256 . 18 1 1 A 28 28 ALA CB C 28 23.827 22.351 1.476 1
1 257 . 18 1 1 A 28 28 ALA N N 28 133.586 129.815 3.771 1
1 258 . 18 1 1 A 29 29 ALA H H 29 8.948 9.015 -0.067 1
1 259 . 18 1 1 A 29 29 ALA HA H 29 5.160 5.238 -0.078 1
1 263 . 18 1 1 A 29 29 ALA C C 29 175.956 176.050 -0.094 1
1 264 . 18 1 1 A 29 29 ALA CA C 29 52.210 51.892 0.318 1
1 265 . 18 1 1 A 29 29 ALA CB C 29 23.697 23.330 0.367 1
1 266 . 18 1 1 A 29 29 ALA N N 29 119.901 121.821 -1.920 1
1 267 . 18 1 1 A 30 30 ILE H H 30 8.245 8.506 -0.261 1
1 268 . 18 1 1 A 30 30 ILE HA H 30 5.313 4.661 0.652 1
1 278 . 18 1 1 A 30 30 ILE C C 30 174.004 174.423 -0.419 1
1 279 . 18 1 1 A 30 30 ILE CA C 30 57.699 57.242 0.457 1
1 280 . 18 1 1 A 30 30 ILE CB C 30 40.565 39.782 0.783 1
1 284 . 18 1 1 A 30 30 ILE N N 30 122.332 120.537 1.795 1
1 285 . 18 1 1 A 31 31 PRO HA H 31 4.655 4.696 -0.041 1
1 292 . 18 1 1 A 31 31 PRO C C 31 177.566 177.894 -0.328 1
1 293 . 18 1 1 A 31 31 PRO CA C 31 62.464 62.504 -0.040 1
1 294 . 18 1 1 A 31 31 PRO CB C 31 31.929 31.597 0.332 1
1 297 . 18 1 1 A 32 32 MET H H 32 8.572 8.162 0.410 1
1 298 . 18 1 1 A 32 32 MET HA H 32 3.997 4.118 -0.121 1
1 306 . 18 1 1 A 32 32 MET C C 32 177.770 178.264 -0.494 1
1 307 . 18 1 1 A 32 32 MET CA C 32 58.158 58.779 -0.621 1
1 308 . 18 1 1 A 32 32 MET CB C 32 31.929 32.428 -0.499 1
1 311 . 18 1 1 A 32 32 MET N N 32 121.580 124.356 -2.776 1
1 312 . 18 1 1 A 33 33 SER H H 33 8.163 8.230 -0.067 1
1 313 . 18 1 1 A 33 33 SER HA H 33 4.213 4.240 -0.027 1
1 316 . 18 1 1 A 33 33 SER C C 33 174.424 174.337 0.087 1
1 317 . 18 1 1 A 33 33 SER CA C 33 58.864 61.506 -2.642 1
1 318 . 18 1 1 A 33 33 SER CB C 33 63.225 63.115 0.110 1
1 319 . 18 1 1 A 33 33 SER N N 33 109.218 115.362 -6.144 1
1 320 . 18 1 1 A 34 34 ASP H H 34 7.179 7.665 -0.486 1
1 321 . 18 1 1 A 34 34 ASP HA H 34 4.912 5.075 -0.163 1
1 324 . 18 1 1 A 34 34 ASP C C 34 171.847 174.294 -2.447 1
1 325 . 18 1 1 A 34 34 ASP CA C 34 52.581 51.196 1.385 1
1 326 . 18 1 1 A 34 34 ASP CB C 34 41.223 41.531 -0.308 1
1 327 . 18 1 1 A 34 34 ASP N N 34 120.601 120.194 0.407 1
1 328 . 18 1 1 A 35 35 PRO HA H 35 4.510 4.532 -0.022 1
1 335 . 18 1 1 A 35 35 PRO C C 35 175.635 176.014 -0.379 1
1 336 . 18 1 1 A 35 35 PRO CA C 35 64.511 63.977 0.534 1
1 337 . 18 1 1 A 35 35 PRO CB C 35 31.729 32.124 -0.395 1
1 340 . 18 1 1 A 36 36 GLN H H 36 7.982 8.309 -0.327 1
1 341 . 18 1 1 A 36 36 GLN HA H 36 4.472 4.481 -0.009 1
1 348 . 18 1 1 A 36 36 GLN C C 36 174.646 174.718 -0.072 1
1 349 . 18 1 1 A 36 36 GLN CA C 36 55.193 55.889 -0.696 1
1 350 . 18 1 1 A 36 36 GLN CB C 36 29.420 29.634 -0.214 1
1 352 . 18 1 1 A 36 36 GLN N N 36 114.393 117.981 -3.588 1
1 354 . 18 1 1 A 37 37 VAL H H 37 7.878 7.673 0.205 1
1 355 . 18 1 1 A 37 37 VAL HA H 37 4.546 4.480 0.066 1
1 363 . 18 1 1 A 37 37 VAL C C 37 172.485 172.862 -0.377 1
1 364 . 18 1 1 A 37 37 VAL CA C 37 60.987 60.293 0.694 1
1 365 . 18 1 1 A 37 37 VAL CB C 37 35.218 34.618 0.600 1
1 368 . 18 1 1 A 37 37 VAL N N 37 120.432 119.631 0.801 1
1 369 . 18 1 1 A 38 38 LEU H H 38 7.992 8.936 -0.944 1
1 370 . 18 1 1 A 38 38 LEU HA H 38 4.770 5.249 -0.479 1
1 380 . 18 1 1 A 38 38 LEU C C 38 175.193 175.298 -0.105 1
1 381 . 18 1 1 A 38 38 LEU CA C 38 53.146 53.194 -0.048 1
1 382 . 18 1 1 A 38 38 LEU CB C 38 45.359 44.481 0.878 1
1 386 . 18 1 1 A 38 38 LEU N N 38 123.585 129.377 -5.792 1
1 387 . 18 1 1 A 39 39 HIS H H 39 9.442 8.952 0.490 1
1 388 . 18 1 1 A 39 39 HIS HA H 39 5.212 5.207 0.005 1
1 393 . 18 1 1 A 39 39 HIS C C 39 175.351 175.591 -0.240 1
1 394 . 18 1 1 A 39 39 HIS CA C 39 55.211 56.440 -1.229 1
1 395 . 18 1 1 A 39 39 HIS CB C 39 32.669 30.761 1.908 1
1 398 . 18 1 1 A 39 39 HIS N N 39 126.949 126.209 0.740 1
1 399 . 18 1 1 A 40 40 LEU H H 40 8.424 8.268 0.156 1
1 400 . 18 1 1 A 40 40 LEU HA H 40 5.082 5.246 -0.164 1
1 410 . 18 1 1 A 40 40 LEU C C 40 176.050 176.215 -0.165 1
1 411 . 18 1 1 A 40 40 LEU CA C 40 53.552 53.707 -0.155 1
1 412 . 18 1 1 A 40 40 LEU CB C 40 44.019 45.906 -1.887 1
1 416 . 18 1 1 A 40 40 LEU N N 40 122.395 122.049 0.346 1
1 417 . 18 1 1 A 41 41 GLN H H 41 8.972 9.262 -0.290 1
1 418 . 18 1 1 A 41 41 GLN HA H 41 4.723 5.083 -0.360 1
1 425 . 18 1 1 A 41 41 GLN C C 41 175.453 174.850 0.603 1
1 426 . 18 1 1 A 41 41 GLN CA C 41 54.840 54.853 -0.013 1
1 427 . 18 1 1 A 41 41 GLN CB C 41 31.946 31.718 0.228 1
1 429 . 18 1 1 A 41 41 GLN N N 41 121.779 122.078 -0.299 1
1 431 . 18 1 1 A 42 42 GLY H H 42 8.739 8.779 -0.040 1
1 432 . 18 1 1 A 42 42 GLY HA2 H 42 4.252 4.167 0.085 1
1 433 . 18 1 1 A 42 42 GLY HA3 H 42 4.200 4.193 0.007 1
1 434 . 18 1 1 A 42 42 GLY C C 42 173.938 173.224 0.714 1
1 435 . 18 1 1 A 42 42 GLY CA C 42 44.746 45.381 -0.635 1
1 436 . 18 1 1 A 42 42 GLY N N 42 112.892 112.870 0.022 1
1 437 . 18 1 1 A 43 43 GLY H H 43 8.709 8.706 0.003 1
1 438 . 18 1 1 A 43 43 GLY HA2 H 43 4.110 4.079 0.031 1
1 439 . 18 1 1 A 43 43 GLY HA3 H 43 3.962 4.079 -0.117 1
1 440 . 18 1 1 A 43 43 GLY C C 43 174.713 175.349 -0.636 1
1 441 . 18 1 1 A 43 43 GLY CA C 43 45.346 45.408 -0.062 1
1 442 . 18 1 1 A 43 43 GLY N N 43 108.768 111.698 -2.930 1
1 443 . 18 1 1 A 44 44 SER H H 44 8.369 8.923 -0.554 1
1 444 . 18 1 1 A 44 44 SER C C 44 175.312 176.810 -1.498 1
1 445 . 18 1 1 A 44 44 SER CA C 44 58.723 61.218 -2.495 1
1 446 . 18 1 1 A 44 44 SER CB C 44 63.924 63.465 0.459 1
1 447 . 18 1 1 A 44 44 SER N N 44 115.582 117.611 -2.029 1
1 448 . 18 1 1 A 45 45 GLN HA H 45 4.346 4.016 0.330 1
1 455 . 18 1 1 A 45 45 GLN C C 45 175.931 176.082 -0.151 1
1 456 . 18 1 1 A 45 45 GLN CA C 45 56.358 58.953 -2.595 1
1 457 . 18 1 1 A 45 45 GLN CB C 45 28.392 28.152 0.240 1
1 460 . 18 1 1 A 46 46 ASP H H 46 8.053 7.937 0.116 1
1 461 . 18 1 1 A 46 46 ASP HA H 46 4.615 4.739 -0.124 1
1 464 . 18 1 1 A 46 46 ASP C C 46 176.998 177.067 -0.069 1
1 465 . 18 1 1 A 46 46 ASP CA C 46 54.188 54.485 -0.297 1
1 466 . 18 1 1 A 46 46 ASP CB C 46 41.099 40.903 0.196 1
1 467 . 18 1 1 A 46 46 ASP N N 46 119.460 118.622 0.838 1
1 468 . 18 1 1 A 47 47 GLY H H 47 8.311 8.869 -0.558 1
1 469 . 18 1 1 A 47 47 GLY HA2 H 47 3.970 3.983 -0.013 1
1 470 . 18 1 1 A 47 47 GLY HA3 H 47 3.970 3.988 -0.018 1
1 471 . 18 1 1 A 47 47 GLY C C 47 174.725 175.282 -0.557 1
1 472 . 18 1 1 A 47 47 GLY CA C 47 45.892 45.852 0.040 1
1 473 . 18 1 1 A 47 47 GLY N N 47 109.753 113.253 -3.500 1
1 474 . 18 1 1 A 48 48 ARG H H 48 8.300 7.973 0.327 1
1 475 . 18 1 1 A 48 48 ARG HA H 48 4.308 4.285 0.023 1
1 482 . 18 1 1 A 48 48 ARG C C 48 176.347 176.506 -0.159 1
1 483 . 18 1 1 A 48 48 ARG CA C 48 56.782 58.268 -1.486 1
1 484 . 18 1 1 A 48 48 ARG CB C 48 30.654 30.964 -0.310 1
1 487 . 18 1 1 A 48 48 ARG N N 48 119.526 119.070 0.456 1
1 488 . 18 1 1 A 49 49 LEU H H 49 7.682 7.490 0.192 1
1 489 . 18 1 1 A 49 49 LEU HA H 49 4.252 4.099 0.153 1
1 499 . 18 1 1 A 49 49 LEU C C 49 174.707 175.189 -0.482 1
1 500 . 18 1 1 A 49 49 LEU CA C 49 53.040 52.997 0.043 1
1 501 . 18 1 1 A 49 49 LEU CB C 49 41.759 42.325 -0.566 1
1 505 . 18 1 1 A 49 49 LEU N N 49 121.049 124.243 -3.194 1
1 506 . 18 1 1 A 50 50 PRO HA H 50 4.392 4.502 -0.110 1
1 513 . 18 1 1 A 50 50 PRO C C 50 175.058 177.868 -2.810 1
1 514 . 18 1 1 A 50 50 PRO CA C 50 62.323 63.089 -0.766 1
1 515 . 18 1 1 A 50 50 PRO CB C 50 31.353 31.796 -0.443 1
1 518 . 18 1 1 A 51 51 ARG H H 51 8.295 8.867 -0.572 1
1 519 . 18 1 1 A 51 51 ARG HA H 51 4.511 3.929 0.582 1
1 526 . 18 1 1 A 51 51 ARG C C 51 177.443 176.278 1.165 1
1 527 . 18 1 1 A 51 51 ARG CA C 51 56.728 59.090 -2.362 1
1 528 . 18 1 1 A 51 51 ARG CB C 51 31.194 30.300 0.894 1
1 531 . 18 1 1 A 51 51 ARG N N 51 119.201 122.571 -3.370 1
1 532 . 18 1 1 A 52 52 THR H H 52 7.372 7.929 -0.557 1
1 533 . 18 1 1 A 52 52 THR HA H 52 4.963 4.806 0.157 1
1 538 . 18 1 1 A 52 52 THR C C 52 173.287 173.823 -0.536 1
1 539 . 18 1 1 A 52 52 THR CA C 52 59.411 59.598 -0.187 1
1 540 . 18 1 1 A 52 52 THR CB C 52 71.632 71.849 -0.217 1
1 542 . 18 1 1 A 52 52 THR N N 52 109.591 109.596 -0.005 1
1 543 . 18 1 1 A 53 53 ILE H H 53 8.742 9.093 -0.351 1
1 544 . 18 1 1 A 53 53 ILE HA H 53 3.845 4.388 -0.543 1
1 554 . 18 1 1 A 53 53 ILE C C 53 173.374 174.037 -0.663 1
1 555 . 18 1 1 A 53 53 ILE CA C 53 57.735 57.660 0.075 1
1 556 . 18 1 1 A 53 53 ILE CB C 53 41.196 39.301 1.895 1
1 560 . 18 1 1 A 53 53 ILE N N 53 123.236 123.922 -0.686 1
1 561 . 18 1 1 A 54 54 PRO HA H 54 4.541 4.381 0.160 1
1 568 . 18 1 1 A 54 54 PRO CA C 54 61.292 63.043 -1.751 1
1 569 . 18 1 1 A 54 54 PRO CB C 54 30.119 31.785 -1.666 1
1 572 . 18 1 1 A 55 55 LEU H H 55 8.146 8.496 -0.350 1
1 573 . 18 1 1 A 55 55 LEU HA H 55 4.262 3.894 0.368 1
1 583 . 18 1 1 A 55 55 LEU CA C 55 58.660 58.832 -0.172 1
1 584 . 18 1 1 A 55 55 LEU CB C 55 39.660 39.657 0.003 1
1 588 . 18 1 1 A 55 55 LEU N N 55 127.224 123.505 3.719 1
1 589 . 18 1 1 A 56 56 PRO HA H 56 4.630 4.284 0.346 1
1 596 . 18 1 1 A 56 56 PRO C C 56 177.498 178.036 -0.538 1
1 597 . 18 1 1 A 56 56 PRO CA C 56 65.782 66.231 -0.449 1
1 598 . 18 1 1 A 56 56 PRO CB C 56 31.188 30.725 0.463 1
1 601 . 18 1 1 A 57 57 SER H H 57 7.722 8.127 -0.405 1
1 602 . 18 1 1 A 57 57 SER HA H 57 4.723 4.613 0.110 1
1 605 . 18 1 1 A 57 57 SER C C 57 174.102 174.318 -0.216 1
1 606 . 18 1 1 A 57 57 SER CA C 57 58.423 59.281 -0.858 1
1 607 . 18 1 1 A 57 57 SER CB C 57 63.924 64.710 -0.786 1
1 608 . 18 1 1 A 57 57 SER N N 57 110.169 111.169 -1.000 1
1 609 . 18 1 1 A 58 58 CYS H H 58 8.002 7.767 0.235 1
1 610 . 18 1 1 A 58 58 CYS HA H 58 5.282 4.411 0.871 1
1 613 . 18 1 1 A 58 58 CYS C C 58 174.525 174.952 -0.427 1
1 614 . 18 1 1 A 58 58 CYS CA C 58 59.447 60.166 -0.719 1
1 615 . 18 1 1 A 58 58 CYS CB C 58 29.594 27.914 1.680 1
1 616 . 18 1 1 A 58 58 CYS N N 58 118.902 119.546 -0.644 1
1 617 . 18 1 1 A 59 59 LYS H H 59 9.242 8.943 0.299 1
1 618 . 18 1 1 A 59 59 LYS HA H 59 4.777 4.682 0.095 1
1 627 . 18 1 1 A 59 59 LYS C C 59 175.947 175.387 0.560 1
1 628 . 18 1 1 A 59 59 LYS CA C 59 55.299 55.385 -0.086 1
1 629 . 18 1 1 A 59 59 LYS CB C 59 34.561 32.918 1.643 1
1 633 . 18 1 1 A 59 59 LYS N N 59 122.306 125.424 -3.118 1
1 634 . 18 1 1 A 60 60 LEU H H 60 9.030 8.933 0.097 1
1 635 . 18 1 1 A 60 60 LEU HA H 60 5.543 4.707 0.836 1
1 645 . 18 1 1 A 60 60 LEU C C 60 176.239 176.466 -0.227 1
1 646 . 18 1 1 A 60 60 LEU CA C 60 53.958 54.849 -0.891 1
1 647 . 18 1 1 A 60 60 LEU CB C 60 44.454 42.421 2.033 1
1 651 . 18 1 1 A 60 60 LEU N N 60 129.520 126.724 2.796 1
1 652 . 18 1 1 A 61 61 SER H H 61 9.077 8.605 0.472 1
1 653 . 18 1 1 A 61 61 SER HA H 61 4.832 5.076 -0.244 1
1 656 . 18 1 1 A 61 61 SER C C 61 172.173 172.878 -0.705 1
1 657 . 18 1 1 A 61 61 SER CA C 61 57.558 57.630 -0.072 1
1 658 . 18 1 1 A 61 61 SER CB C 61 65.692 66.478 -0.786 1
1 659 . 18 1 1 A 61 61 SER N N 61 117.374 121.088 -3.714 1
1 660 . 18 1 1 A 62 62 VAL H H 62 8.784 8.695 0.089 1
1 661 . 18 1 1 A 62 62 VAL HA H 62 4.927 4.607 0.320 1
1 669 . 18 1 1 A 62 62 VAL C C 62 174.367 174.704 -0.337 1
1 670 . 18 1 1 A 62 62 VAL CA C 62 59.782 60.217 -0.435 1
1 671 . 18 1 1 A 62 62 VAL CB C 62 33.518 32.196 1.322 1
1 674 . 18 1 1 A 62 62 VAL N N 62 119.929 126.706 -6.777 1
1 675 . 18 1 1 A 63 63 PRO HA H 63 4.495 4.644 -0.149 1
1 682 . 18 1 1 A 63 63 PRO CA C 63 62.526 62.825 -0.299 1
1 683 . 18 1 1 A 63 63 PRO CB C 63 32.504 32.447 0.057 1
1 686 . 18 1 1 A 64 64 ASP H H 64 8.762 8.606 0.156 1
1 687 . 18 1 1 A 64 64 ASP HA H 64 4.780 4.909 -0.129 1
1 690 . 18 1 1 A 64 64 ASP CA C 64 53.231 52.570 0.661 1
1 691 . 18 1 1 A 64 64 ASP CB C 64 41.105 40.540 0.565 1
1 692 . 18 1 1 A 64 64 ASP N N 64 123.527 121.573 1.954 1
1 693 . 18 1 1 A 65 65 PRO HA H 65 4.371 4.517 -0.146 1
1 700 . 18 1 1 A 65 65 PRO C C 65 178.309 177.759 0.550 1
1 701 . 18 1 1 A 65 65 PRO CA C 65 64.829 64.481 0.348 1
1 702 . 18 1 1 A 65 65 PRO CB C 65 32.136 31.821 0.315 1
1 705 . 18 1 1 A 66 66 GLU H H 66 8.890 8.586 0.304 1
1 706 . 18 1 1 A 66 66 GLU HA H 66 4.129 4.085 0.044 1
1 711 . 18 1 1 A 66 66 GLU C C 66 177.222 179.342 -2.120 1
1 712 . 18 1 1 A 66 66 GLU CA C 66 57.805 59.454 -1.649 1
1 713 . 18 1 1 A 66 66 GLU CB C 66 29.334 29.047 0.287 1
1 715 . 18 1 1 A 66 66 GLU N N 66 117.225 117.346 -0.121 1
1 716 . 18 1 1 A 67 67 GLU H H 67 7.971 7.909 0.062 1
1 717 . 18 1 1 A 67 67 GLU HA H 67 4.136 4.120 0.016 1
1 722 . 18 1 1 A 67 67 GLU C C 67 176.058 176.346 -0.288 1
1 723 . 18 1 1 A 67 67 GLU CA C 67 57.328 59.230 -1.902 1
1 724 . 18 1 1 A 67 67 GLU CB C 67 29.594 29.564 0.030 1
1 726 . 18 1 1 A 67 67 GLU N N 67 119.516 119.590 -0.074 1
1 727 . 18 1 1 A 68 68 ARG H H 68 8.020 7.865 0.155 1
1 728 . 18 1 1 A 68 68 ARG HA H 68 4.043 3.834 0.209 1
1 735 . 18 1 1 A 68 68 ARG C C 68 175.591 175.495 0.096 1
1 736 . 18 1 1 A 68 68 ARG CA C 68 56.075 56.877 -0.802 1
1 737 . 18 1 1 A 68 68 ARG CB C 68 28.927 27.633 1.294 1
1 740 . 18 1 1 A 68 68 ARG N N 68 118.917 116.765 2.152 1
1 741 . 18 1 1 A 69 69 LEU H H 69 8.188 7.896 0.292 1
1 742 . 18 1 1 A 69 69 LEU HA H 69 4.372 4.326 0.046 1
1 752 . 18 1 1 A 69 69 LEU C C 69 176.013 177.844 -1.831 1
1 753 . 18 1 1 A 69 69 LEU CA C 69 54.682 55.095 -0.413 1
1 754 . 18 1 1 A 69 69 LEU CB C 69 43.238 43.034 0.204 1
1 758 . 18 1 1 A 69 69 LEU N N 69 122.935 119.996 2.939 1
1 759 . 18 1 1 A 70 70 ASP H H 70 8.382 9.085 -0.703 1
1 760 . 18 1 1 A 70 70 ASP HA H 70 4.123 4.202 -0.079 1
1 763 . 18 1 1 A 70 70 ASP C C 70 175.200 176.541 -1.341 1
1 764 . 18 1 1 A 70 70 ASP CA C 70 54.558 57.508 -2.950 1
1 765 . 18 1 1 A 70 70 ASP CB C 70 40.634 40.976 -0.342 1
1 766 . 18 1 1 A 70 70 ASP N N 70 119.400 123.340 -3.940 1
1 767 . 18 1 1 A 71 71 SER H H 71 7.391 7.210 0.181 1
1 768 . 18 1 1 A 71 71 SER HA H 71 4.233 4.230 0.003 1
1 771 . 18 1 1 A 71 71 SER C C 71 174.294 174.663 -0.369 1
1 772 . 18 1 1 A 71 71 SER CA C 71 58.017 58.321 -0.304 1
1 773 . 18 1 1 A 71 71 SER CB C 71 63.430 64.264 -0.834 1
1 774 . 18 1 1 A 71 71 SER N N 71 114.807 114.028 0.779 1
1 775 . 18 1 1 A 72 72 GLY H H 72 7.981 8.216 -0.235 1
1 776 . 18 1 1 A 72 72 GLY HA2 H 72 3.702 3.567 0.135 1
1 777 . 18 1 1 A 72 72 GLY HA3 H 72 3.610 3.703 -0.093 1
1 778 . 18 1 1 A 72 72 GLY C C 72 172.912 173.594 -0.682 1
1 779 . 18 1 1 A 72 72 GLY CA C 72 44.675 45.769 -1.094 1
1 780 . 18 1 1 A 72 72 GLY N N 72 108.675 111.753 -3.078 1
1 781 . 18 1 1 A 73 73 HIS H H 73 8.462 7.971 0.491 1
1 782 . 18 1 1 A 73 73 HIS HA H 73 4.859 5.219 -0.360 1
1 787 . 18 1 1 A 73 73 HIS C C 73 174.804 173.840 0.964 1
1 788 . 18 1 1 A 73 73 HIS CA C 73 54.700 54.154 0.546 1
1 789 . 18 1 1 A 73 73 HIS CB C 73 28.762 31.117 -2.355 1
1 792 . 18 1 1 A 73 73 HIS N N 73 122.843 117.686 5.157 1
1 793 . 18 1 1 A 74 74 VAL H H 74 7.682 8.827 -1.145 1
1 794 . 18 1 1 A 74 74 VAL HA H 74 5.402 4.726 0.676 1
1 802 . 18 1 1 A 74 74 VAL C C 74 176.121 173.707 2.414 1
1 803 . 18 1 1 A 74 74 VAL CA C 74 61.246 60.253 0.993 1
1 804 . 18 1 1 A 74 74 VAL CB C 74 35.383 35.763 -0.380 1
1 807 . 18 1 1 A 74 74 VAL N N 74 120.824 121.443 -0.619 1
1 808 . 18 1 1 A 75 75 TRP H H 75 9.581 8.290 1.291 1
1 809 . 18 1 1 A 75 75 TRP HA H 75 5.342 5.996 -0.654 1
1 818 . 18 1 1 A 75 75 TRP C C 75 171.123 173.596 -2.473 1
1 819 . 18 1 1 A 75 75 TRP CA C 75 57.046 54.780 2.266 1
1 820 . 18 1 1 A 75 75 TRP CB C 75 32.834 33.137 -0.303 1
1 826 . 18 1 1 A 75 75 TRP N N 75 124.656 122.660 1.996 1
1 828 . 18 1 1 A 76 76 LYS H H 76 9.557 9.451 0.106 1
1 829 . 18 1 1 A 76 76 LYS HA H 76 5.192 4.782 0.410 1
1 838 . 18 1 1 A 76 76 LYS C C 76 174.801 174.936 -0.135 1
1 839 . 18 1 1 A 76 76 LYS CA C 76 54.876 55.325 -0.449 1
1 840 . 18 1 1 A 76 76 LYS CB C 76 36.740 34.104 2.636 1
1 844 . 18 1 1 A 76 76 LYS N N 76 121.724 121.516 0.208 1
1 845 . 18 1 1 A 77 77 LEU H H 77 8.957 8.715 0.242 1
1 846 . 18 1 1 A 77 77 LEU HA H 77 5.272 5.264 0.008 1
1 856 . 18 1 1 A 77 77 LEU C C 77 174.927 175.075 -0.148 1
1 857 . 18 1 1 A 77 77 LEU CA C 77 54.046 53.998 0.048 1
1 858 . 18 1 1 A 77 77 LEU CB C 77 46.281 44.413 1.868 1
1 862 . 18 1 1 A 77 77 LEU N N 77 124.578 126.677 -2.099 1
1 863 . 18 1 1 A 78 78 GLN H H 78 8.629 8.658 -0.029 1
1 864 . 18 1 1 A 78 78 GLN HA H 78 5.308 5.308 0.000 1
1 871 . 18 1 1 A 78 78 GLN C C 78 174.564 174.748 -0.184 1
1 872 . 18 1 1 A 78 78 GLN CA C 78 54.452 54.523 -0.071 1
1 873 . 18 1 1 A 78 78 GLN CB C 78 32.833 31.323 1.510 1
1 875 . 18 1 1 A 78 78 GLN N N 78 121.344 125.124 -3.780 1
1 877 . 18 1 1 A 79 79 TRP H H 79 8.601 8.553 0.048 1
1 878 . 18 1 1 A 79 79 TRP HA H 79 5.003 4.980 0.023 1
1 887 . 18 1 1 A 79 79 TRP C C 79 173.001 174.120 -1.119 1
1 888 . 18 1 1 A 79 79 TRP CA C 79 56.323 56.655 -0.332 1
1 889 . 18 1 1 A 79 79 TRP CB C 79 32.258 31.504 0.754 1
1 895 . 18 1 1 A 79 79 TRP N N 79 128.274 123.837 4.437 1
1 897 . 18 1 1 A 80 80 ALA H H 80 9.181 9.318 -0.137 1
1 898 . 18 1 1 A 80 80 ALA HA H 80 3.933 3.917 0.016 1
1 902 . 18 1 1 A 80 80 ALA C C 80 177.360 176.320 1.040 1
1 903 . 18 1 1 A 80 80 ALA CA C 80 54.222 53.215 1.007 1
1 904 . 18 1 1 A 80 80 ALA CB C 80 17.329 17.202 0.127 1
1 905 . 18 1 1 A 80 80 ALA N N 80 126.348 121.577 4.771 1
1 906 . 18 1 1 A 81 81 LYS H H 81 8.163 8.380 -0.217 1
1 907 . 18 1 1 A 81 81 LYS HA H 81 4.290 3.708 0.582 1
1 916 . 18 1 1 A 81 81 LYS C C 81 176.068 174.689 1.379 1
1 917 . 18 1 1 A 81 81 LYS CA C 81 56.305 57.300 -0.995 1
1 918 . 18 1 1 A 81 81 LYS CB C 81 31.312 29.211 2.101 1
1 922 . 18 1 1 A 81 81 LYS N N 81 120.289 107.398 12.891 1
1 923 . 18 1 1 A 82 82 GLN H H 82 8.423 7.628 0.795 1
1 924 . 18 1 1 A 82 82 GLN HA H 82 4.255 4.691 -0.436 1
1 931 . 18 1 1 A 82 82 GLN C C 82 174.996 173.970 1.026 1
1 932 . 18 1 1 A 82 82 GLN CA C 82 54.805 53.670 1.135 1
1 933 . 18 1 1 A 82 82 GLN CB C 82 30.942 32.121 -1.179 1
1 935 . 18 1 1 A 82 82 GLN N N 82 119.918 116.114 3.804 1
1 937 . 18 1 1 A 83 83 SER H H 83 7.683 8.156 -0.473 1
1 938 . 18 1 1 A 83 83 SER HA H 83 4.991 5.205 -0.214 1
1 941 . 18 1 1 A 83 83 SER C C 83 171.947 172.381 -0.434 1
1 942 . 18 1 1 A 83 83 SER CA C 83 57.629 57.419 0.210 1
1 943 . 18 1 1 A 83 83 SER CB C 83 64.664 65.227 -0.563 1
1 944 . 18 1 1 A 83 83 SER N N 83 115.649 112.554 3.095 1
1 945 . 18 1 1 A 84 84 TRP H H 84 8.665 8.907 -0.242 1
1 946 . 18 1 1 A 84 84 TRP HA H 84 4.714 5.107 -0.393 1
1 955 . 18 1 1 A 84 84 TRP C C 84 174.105 174.681 -0.576 1
1 956 . 18 1 1 A 84 84 TRP CA C 84 56.834 55.708 1.126 1
1 957 . 18 1 1 A 84 84 TRP CB C 84 33.368 33.416 -0.048 1
1 963 . 18 1 1 A 84 84 TRP N N 84 122.334 124.699 -2.365 1
1 965 . 18 1 1 A 85 85 TYR H H 85 9.220 8.868 0.352 1
1 966 . 18 1 1 A 85 85 TYR HA H 85 5.209 5.178 0.031 1
1 973 . 18 1 1 A 85 85 TYR C C 85 175.136 174.830 0.306 1
1 974 . 18 1 1 A 85 85 TYR CA C 85 56.993 57.471 -0.478 1
1 975 . 18 1 1 A 85 85 TYR CB C 85 41.058 40.044 1.014 1
1 980 . 18 1 1 A 85 85 TYR N N 85 117.934 122.411 -4.477 1
1 981 . 18 1 1 A 86 86 LEU H H 86 8.662 8.704 -0.042 1
1 982 . 18 1 1 A 86 86 LEU HA H 86 5.172 4.608 0.564 1
1 992 . 18 1 1 A 86 86 LEU C C 86 174.454 175.238 -0.784 1
1 993 . 18 1 1 A 86 86 LEU CA C 86 53.587 53.085 0.502 1
1 994 . 18 1 1 A 86 86 LEU CB C 86 43.773 41.736 2.037 1
1 998 . 18 1 1 A 86 86 LEU N N 86 121.945 124.844 -2.899 1
1 999 . 18 1 1 A 87 87 SER H H 87 8.642 8.766 -0.124 1
1 1000 . 18 1 1 A 87 87 SER HA H 87 4.995 4.961 0.034 1
1 1003 . 18 1 1 A 87 87 SER C C 87 173.683 173.944 -0.261 1
1 1004 . 18 1 1 A 87 87 SER CA C 87 55.052 56.426 -1.374 1
1 1005 . 18 1 1 A 87 87 SER CB C 87 65.487 64.808 0.679 1
1 1006 . 18 1 1 A 87 87 SER N N 87 111.719 120.070 -8.351 1
1 1007 . 18 1 1 A 88 88 ALA H H 88 8.472 8.681 -0.209 1
1 1008 . 18 1 1 A 88 88 ALA HA H 88 5.184 4.807 0.377 1
1 1012 . 18 1 1 A 88 88 ALA C C 88 178.012 178.037 -0.025 1
1 1013 . 18 1 1 A 88 88 ALA CA C 88 49.423 50.099 -0.676 1
1 1014 . 18 1 1 A 88 88 ALA CB C 88 22.919 21.971 0.948 1
1 1015 . 18 1 1 A 88 88 ALA N N 88 126.939 124.073 2.866 1
1 1016 . 18 1 1 A 89 89 SER H H 89 8.182 8.821 -0.639 1
1 1017 . 18 1 1 A 89 89 SER HA H 89 4.274 4.236 0.038 1
1 1020 . 18 1 1 A 89 89 SER C C 89 174.039 174.048 -0.009 1
1 1021 . 18 1 1 A 89 89 SER CA C 89 60.135 61.355 -1.220 1
1 1022 . 18 1 1 A 89 89 SER CB C 89 63.571 63.206 0.365 1
1 1023 . 18 1 1 A 89 89 SER N N 89 111.359 116.561 -5.202 1
1 1024 . 18 1 1 A 90 90 SER H H 90 7.392 7.753 -0.361 1
1 1025 . 18 1 1 A 90 90 SER HA H 90 4.383 4.339 0.044 1
1 1028 . 18 1 1 A 90 90 SER C C 90 173.114 173.934 -0.820 1
1 1029 . 18 1 1 A 90 90 SER CA C 90 56.023 56.966 -0.943 1
1 1030 . 18 1 1 A 90 90 SER CB C 90 67.108 65.362 1.746 1
1 1031 . 18 1 1 A 90 90 SER N N 90 113.112 109.953 3.159 1
1 1032 . 18 1 1 A 91 91 ALA H H 91 8.532 7.602 0.930 1
1 1033 . 18 1 1 A 91 91 ALA HA H 91 3.763 3.908 -0.145 1
1 1037 . 18 1 1 A 91 91 ALA C C 91 179.816 179.471 0.345 1
1 1038 . 18 1 1 A 91 91 ALA CA C 91 54.699 55.596 -0.897 1
1 1039 . 18 1 1 A 91 91 ALA CB C 91 18.111 18.386 -0.275 1
1 1040 . 18 1 1 A 91 91 ALA N N 91 123.767 124.170 -0.403 1
1 1041 . 18 1 1 A 92 92 GLU H H 92 8.766 8.378 0.388 1
1 1042 . 18 1 1 A 92 92 GLU HA H 92 3.942 3.996 -0.054 1
1 1047 . 18 1 1 A 92 92 GLU C C 92 179.568 178.816 0.752 1
1 1048 . 18 1 1 A 92 92 GLU CA C 92 60.206 59.734 0.472 1
1 1049 . 18 1 1 A 92 92 GLU CB C 92 28.721 29.476 -0.755 1
1 1051 . 18 1 1 A 92 92 GLU N N 92 118.712 118.496 0.216 1
1 1052 . 18 1 1 A 93 93 LEU H H 93 7.852 8.028 -0.176 1
1 1053 . 18 1 1 A 93 93 LEU HA H 93 4.274 4.161 0.113 1
1 1063 . 18 1 1 A 93 93 LEU C C 93 178.805 178.690 0.115 1
1 1064 . 18 1 1 A 93 93 LEU CA C 93 57.382 57.247 0.135 1
1 1065 . 18 1 1 A 93 93 LEU CB C 93 43.115 41.224 1.891 1
1 1069 . 18 1 1 A 93 93 LEU N N 93 121.212 121.176 0.036 1
1 1070 . 18 1 1 A 94 94 GLN H H 94 8.080 8.579 -0.499 1
1 1071 . 18 1 1 A 94 94 GLN HA H 94 3.843 4.467 -0.624 1
1 1078 . 18 1 1 A 94 94 GLN C C 94 176.960 178.105 -1.145 1
1 1079 . 18 1 1 A 94 94 GLN CA C 94 59.694 58.656 1.038 1
1 1080 . 18 1 1 A 94 94 GLN CB C 94 28.063 28.702 -0.639 1
1 1082 . 18 1 1 A 94 94 GLN N N 94 120.439 119.038 1.401 1
1 1084 . 18 1 1 A 95 95 GLN H H 95 8.293 7.878 0.415 1
1 1085 . 18 1 1 A 95 95 GLN HA H 95 3.779 4.160 -0.381 1
1 1092 . 18 1 1 A 95 95 GLN C C 95 177.938 178.332 -0.394 1
1 1093 . 18 1 1 A 95 95 GLN CA C 95 59.005 58.535 0.470 1
1 1094 . 18 1 1 A 95 95 GLN CB C 95 27.610 28.984 -1.374 1
1 1096 . 18 1 1 A 95 95 GLN N N 95 117.408 118.714 -1.306 1
1 1098 . 18 1 1 A 96 96 GLN H H 96 7.731 7.720 0.011 1
1 1099 . 18 1 1 A 96 96 GLN HA H 96 3.966 4.008 -0.042 1
1 1106 . 18 1 1 A 96 96 GLN C C 96 179.685 177.396 2.289 1
1 1107 . 18 1 1 A 96 96 GLN CA C 96 58.987 58.030 0.957 1
1 1108 . 18 1 1 A 96 96 GLN CB C 96 28.433 27.812 0.621 1
1 1110 . 18 1 1 A 96 96 GLN N N 96 119.621 117.092 2.529 1
1 1112 . 18 1 1 A 97 97 TRP H H 97 8.410 7.113 1.297 1
1 1113 . 18 1 1 A 97 97 TRP HA H 97 3.792 4.452 -0.660 1
1 1122 . 18 1 1 A 97 97 TRP C C 97 178.515 178.821 -0.306 1
1 1123 . 18 1 1 A 97 97 TRP CA C 97 61.670 59.544 2.126 1
1 1124 . 18 1 1 A 97 97 TRP CB C 97 29.972 30.173 -0.201 1
1 1130 . 18 1 1 A 97 97 TRP N N 97 121.370 119.763 1.607 1
1 1132 . 18 1 1 A 98 98 LEU H H 98 8.505 8.000 0.505 1
1 1133 . 18 1 1 A 98 98 LEU HA H 98 3.485 3.549 -0.064 1
1 1143 . 18 1 1 A 98 98 LEU C C 98 180.194 178.983 1.211 1
1 1144 . 18 1 1 A 98 98 LEU CA C 98 58.706 57.969 0.737 1
1 1145 . 18 1 1 A 98 98 LEU CB C 98 41.141 41.252 -0.111 1
1 1149 . 18 1 1 A 98 98 LEU N N 98 119.038 119.972 -0.934 1
1 1150 . 18 1 1 A 99 99 GLU H H 99 8.241 8.400 -0.159 1
1 1151 . 18 1 1 A 99 99 GLU HA H 99 3.927 3.895 0.032 1
1 1156 . 18 1 1 A 99 99 GLU C C 99 179.082 179.235 -0.153 1
1 1157 . 18 1 1 A 99 99 GLU CA C 99 59.587 59.519 0.068 1
1 1158 . 18 1 1 A 99 99 GLU CB C 99 29.296 29.231 0.065 1
1 1160 . 18 1 1 A 99 99 GLU N N 99 119.886 117.591 2.295 1
1 1161 . 18 1 1 A 100 100 THR H H 100 7.780 7.617 0.163 1
1 1162 . 18 1 1 A 100 100 THR HA H 100 3.862 3.824 0.038 1
1 1167 . 18 1 1 A 100 100 THR C C 100 176.899 176.901 -0.002 1
1 1168 . 18 1 1 A 100 100 THR CA C 100 67.088 67.004 0.084 1
1 1169 . 18 1 1 A 100 100 THR CB C 100 68.178 68.509 -0.331 1
1 1171 . 18 1 1 A 100 100 THR N N 100 116.913 116.821 0.092 1
1 1172 . 18 1 1 A 101 101 LEU H H 101 9.159 8.508 0.651 1
1 1173 . 18 1 1 A 101 101 LEU HA H 101 3.993 3.976 0.017 1
1 1183 . 18 1 1 A 101 101 LEU C C 101 178.416 179.006 -0.590 1
1 1184 . 18 1 1 A 101 101 LEU CA C 101 58.017 57.809 0.208 1
1 1185 . 18 1 1 A 101 101 LEU CB C 101 42.004 41.523 0.481 1
1 1189 . 18 1 1 A 101 101 LEU N N 101 121.065 121.321 -0.256 1
1 1190 . 18 1 1 A 102 102 SER H H 102 7.978 8.398 -0.420 1
1 1191 . 18 1 1 A 102 102 SER HA H 102 4.094 4.104 -0.010 1
1 1194 . 18 1 1 A 102 102 SER C C 102 176.370 177.428 -1.058 1
1 1195 . 18 1 1 A 102 102 SER CA C 102 61.794 61.426 0.368 1
1 1196 . 18 1 1 A 102 102 SER CB C 102 62.855 63.042 -0.187 1
1 1197 . 18 1 1 A 102 102 SER N N 102 112.923 113.454 -0.531 1
1 1198 . 18 1 1 A 103 103 THR H H 103 7.683 8.361 -0.678 1
1 1199 . 18 1 1 A 103 103 THR HA H 103 4.020 3.921 0.099 1
1 1204 . 18 1 1 A 103 103 THR C C 103 176.061 176.807 -0.746 1
1 1205 . 18 1 1 A 103 103 THR CA C 103 65.412 66.008 -0.596 1
1 1206 . 18 1 1 A 103 103 THR CB C 103 68.918 68.463 0.455 1
1 1208 . 18 1 1 A 103 103 THR N N 103 116.420 117.358 -0.938 1
1 1209 . 18 1 1 A 104 104 ALA H H 104 7.760 7.774 -0.014 1
1 1210 . 18 1 1 A 104 104 ALA HA H 104 4.272 4.199 0.073 1
1 1214 . 18 1 1 A 104 104 ALA C C 104 178.160 178.391 -0.231 1
1 1215 . 18 1 1 A 104 104 ALA CA C 104 54.011 54.047 -0.036 1
1 1216 . 18 1 1 A 104 104 ALA CB C 104 20.155 18.502 1.653 1
1 1217 . 18 1 1 A 104 104 ALA N N 104 123.981 123.759 0.222 1
1 1218 . 18 1 1 A 105 105 ALA H H 105 7.824 7.902 -0.078 1
1 1219 . 18 1 1 A 105 105 ALA HA H 105 4.092 4.514 -0.422 1
1 1223 . 18 1 1 A 105 105 ALA C C 105 177.657 176.846 0.811 1
1 1224 . 18 1 1 A 105 105 ALA CA C 105 53.058 51.857 1.201 1
1 1225 . 18 1 1 A 105 105 ALA CB C 105 19.067 19.273 -0.206 1
1 1226 . 18 1 1 A 105 105 ALA N N 105 118.227 119.299 -1.072 1
1 1227 . 18 1 1 A 106 106 HIS H H 106 7.675 7.657 0.018 1
1 1228 . 18 1 1 A 106 106 HIS HA H 106 4.703 4.881 -0.178 1
1 1233 . 18 1 1 A 106 106 HIS C C 106 175.296 173.848 1.448 1
1 1234 . 18 1 1 A 106 106 HIS CA C 106 56.287 53.948 2.339 1
1 1235 . 18 1 1 A 106 106 HIS CB C 106 30.407 33.881 -3.474 1
1 1238 . 18 1 1 A 106 106 HIS N N 106 115.860 117.036 -1.176 1
1 1239 . 18 1 1 A 107 107 SER H H 107 8.015 8.820 -0.805 1
1 1240 . 18 1 1 A 107 107 SER HA H 107 4.560 5.178 -0.618 1
1 1243 . 18 1 1 A 107 107 SER C C 107 174.345 174.750 -0.405 1
1 1244 . 18 1 1 A 107 107 SER CA C 107 58.546 56.597 1.949 1
1 1245 . 18 1 1 A 107 107 SER CB C 107 64.130 65.898 -1.768 1
1 1246 . 18 1 1 A 107 107 SER N N 107 116.310 113.449 2.861 1
1 1247 . 18 1 1 A 108 108 GLY H H 108 8.282 8.486 -0.204 1
1 1248 . 18 1 1 A 108 108 GLY HA2 H 108 4.213 4.003 0.210 1
1 1249 . 18 1 1 A 108 108 GLY HA3 H 108 4.042 4.012 0.030 1
1 1250 . 18 1 1 A 108 108 GLY C C 108 171.750 174.146 -2.396 1
1 1251 . 18 1 1 A 108 108 GLY CA C 108 44.640 46.967 -2.327 1
1 1252 . 18 1 1 A 108 108 GLY N N 108 110.511 111.082 -0.571 1
1 1253 . 18 1 1 A 109 109 PRO HA H 109 4.497 4.764 -0.267 1
1 1260 . 18 1 1 A 109 109 PRO C C 109 177.419 175.862 1.557 1
1 1261 . 18 1 1 A 109 109 PRO CA C 109 63.241 62.325 0.916 1
1 1262 . 18 1 1 A 109 109 PRO CB C 109 32.264 30.039 2.225 1
1 1265 . 18 1 1 A 110 110 SER H H 110 8.558 8.097 0.461 1
1 1266 . 18 1 1 A 110 110 SER C C 110 174.715 173.512 1.203 1
1 1267 . 18 1 1 A 110 110 SER CA C 110 58.335 56.770 1.565 1
1 1268 . 18 1 1 A 110 110 SER CB C 110 63.759 66.432 -2.673 1
1 1269 . 18 1 1 A 110 110 SER N N 110 116.470 113.989 2.481 1
1 1270 . 18 1 1 A 111 111 SER H H 111 8.357 8.572 -0.215 1
1 1271 . 18 1 1 A 111 111 SER C C 111 173.931 174.147 -0.216 1
1 1272 . 18 1 1 A 111 111 SER CA C 111 58.335 58.917 -0.582 1
1 1 . 19 1 1 A 8 8 SER HA H 8 5.012 4.521 0.491 1
1 4 . 19 1 1 A 8 8 SER CA C 8 58.166 59.505 -1.339 1
1 5 . 19 1 1 A 8 8 SER CB C 8 64.582 63.578 1.004 1
1 6 . 19 1 1 A 9 9 LEU H H 9 9.253 8.587 0.666 1
1 7 . 19 1 1 A 9 9 LEU HA H 9 4.091 3.877 0.214 1
1 17 . 19 1 1 A 9 9 LEU C C 9 176.799 176.608 0.191 1
1 18 . 19 1 1 A 9 9 LEU CA C 9 57.523 58.283 -0.760 1
1 19 . 19 1 1 A 9 9 LEU CB C 9 42.703 42.011 0.692 1
1 23 . 19 1 1 A 9 9 LEU N N 9 127.432 127.178 0.254 1
1 24 . 19 1 1 A 10 10 LEU H H 10 6.827 7.774 -0.947 1
1 25 . 19 1 1 A 10 10 LEU HA H 10 4.201 4.572 -0.371 1
1 35 . 19 1 1 A 10 10 LEU C C 10 173.779 174.484 -0.705 1
1 36 . 19 1 1 A 10 10 LEU CA C 10 54.399 54.256 0.143 1
1 37 . 19 1 1 A 10 10 LEU CB C 10 45.006 45.514 -0.508 1
1 41 . 19 1 1 A 10 10 LEU N N 10 116.105 117.648 -1.543 1
1 42 . 19 1 1 A 11 11 CYS H H 11 7.989 8.935 -0.946 1
1 43 . 19 1 1 A 11 11 CYS HA H 11 5.743 5.328 0.415 1
1 46 . 19 1 1 A 11 11 CYS C C 11 172.654 173.227 -0.573 1
1 47 . 19 1 1 A 11 11 CYS CA C 11 55.546 57.246 -1.700 1
1 48 . 19 1 1 A 11 11 CYS CB C 11 31.333 31.400 -0.067 1
1 49 . 19 1 1 A 11 11 CYS N N 11 117.939 123.319 -5.380 1
1 50 . 19 1 1 A 12 12 GLY H H 12 8.479 7.215 1.264 1
1 51 . 19 1 1 A 12 12 GLY HA2 H 12 4.419 3.818 0.601 1
1 52 . 19 1 1 A 12 12 GLY HA3 H 12 2.832 4.119 -1.287 1
1 53 . 19 1 1 A 12 12 GLY C C 12 168.720 171.693 -2.973 1
1 54 . 19 1 1 A 12 12 GLY CA C 12 44.710 44.831 -0.121 1
1 55 . 19 1 1 A 12 12 GLY N N 12 109.046 106.680 2.366 1
1 56 . 19 1 1 A 13 13 PRO HA H 13 5.163 4.485 0.678 1
1 63 . 19 1 1 A 13 13 PRO C C 13 177.501 175.203 2.298 1
1 64 . 19 1 1 A 13 13 PRO CA C 13 62.182 63.177 -0.995 1
1 65 . 19 1 1 A 13 13 PRO CB C 13 32.587 32.094 0.493 1
1 68 . 19 1 1 A 14 14 LEU H H 14 8.630 8.470 0.160 1
1 69 . 19 1 1 A 14 14 LEU HA H 14 4.764 4.964 -0.200 1
1 79 . 19 1 1 A 14 14 LEU C C 14 175.698 174.421 1.277 1
1 80 . 19 1 1 A 14 14 LEU CA C 14 53.975 52.946 1.029 1
1 81 . 19 1 1 A 14 14 LEU CB C 14 48.936 46.336 2.600 1
1 85 . 19 1 1 A 14 14 LEU N N 14 122.246 124.253 -2.007 1
1 86 . 19 1 1 A 15 15 ARG H H 15 8.498 8.011 0.487 1
1 87 . 19 1 1 A 15 15 ARG HA H 15 5.421 5.242 0.179 1
1 95 . 19 1 1 A 15 15 ARG C C 15 174.664 175.007 -0.343 1
1 96 . 19 1 1 A 15 15 ARG CA C 15 54.858 54.337 0.521 1
1 97 . 19 1 1 A 15 15 ARG CB C 15 34.085 33.791 0.294 1
1 100 . 19 1 1 A 15 15 ARG N N 15 118.593 124.649 -6.056 1
1 102 . 19 1 1 A 16 16 LEU H H 16 9.244 8.914 0.330 1
1 103 . 19 1 1 A 16 16 LEU HA H 16 5.662 5.688 -0.026 1
1 113 . 19 1 1 A 16 16 LEU C C 16 176.872 174.610 2.262 1
1 114 . 19 1 1 A 16 16 LEU CA C 16 53.746 53.577 0.169 1
1 115 . 19 1 1 A 16 16 LEU CB C 16 47.803 46.903 0.900 1
1 119 . 19 1 1 A 16 16 LEU N N 16 123.893 124.795 -0.902 1
1 120 . 19 1 1 A 17 17 SER H H 17 8.982 8.537 0.445 1
1 121 . 19 1 1 A 17 17 SER HA H 17 4.484 5.356 -0.872 1
1 124 . 19 1 1 A 17 17 SER C C 17 173.790 173.042 0.748 1
1 125 . 19 1 1 A 17 17 SER CA C 17 57.081 56.412 0.669 1
1 126 . 19 1 1 A 17 17 SER CB C 17 64.487 64.653 -0.166 1
1 127 . 19 1 1 A 17 17 SER N N 17 117.455 119.218 -1.763 1
1 128 . 19 1 1 A 18 18 GLU H H 18 9.102 8.642 0.460 1
1 129 . 19 1 1 A 18 18 GLU HA H 18 3.832 4.071 -0.239 1
1 134 . 19 1 1 A 18 18 GLU C C 18 176.185 176.997 -0.812 1
1 135 . 19 1 1 A 18 18 GLU CA C 18 58.793 55.983 2.810 1
1 136 . 19 1 1 A 18 18 GLU CB C 18 30.037 28.563 1.474 1
1 138 . 19 1 1 A 18 18 GLU N N 18 129.354 124.253 5.101 1
1 139 . 19 1 1 A 19 19 SER H H 19 7.792 9.111 -1.319 1
1 140 . 19 1 1 A 19 19 SER HA H 19 4.650 4.222 0.428 1
1 143 . 19 1 1 A 19 19 SER C C 19 175.321 173.520 1.801 1
1 144 . 19 1 1 A 19 19 SER CA C 19 57.699 59.132 -1.433 1
1 145 . 19 1 1 A 19 19 SER CB C 19 65.816 62.041 3.775 1
1 146 . 19 1 1 A 19 19 SER N N 19 108.812 119.881 -11.069 1
1 147 . 19 1 1 A 20 20 GLY H H 20 8.376 8.151 0.225 1
1 148 . 19 1 1 A 20 20 GLY HA2 H 20 3.931 3.050 0.881 1
1 149 . 19 1 1 A 20 20 GLY HA3 H 20 2.690 3.395 -0.705 1
1 150 . 19 1 1 A 20 20 GLY C C 20 172.644 174.031 -1.387 1
1 151 . 19 1 1 A 20 20 GLY CA C 20 44.746 45.788 -1.042 1
1 152 . 19 1 1 A 20 20 GLY N N 20 111.458 105.933 5.525 1
1 153 . 19 1 1 A 21 21 GLU H H 21 7.522 7.652 -0.130 1
1 154 . 19 1 1 A 21 21 GLU HA H 21 4.274 4.364 -0.090 1
1 159 . 19 1 1 A 21 21 GLU C C 21 176.266 176.057 0.209 1
1 160 . 19 1 1 A 21 21 GLU CA C 21 58.069 57.358 0.711 1
1 161 . 19 1 1 A 21 21 GLU CB C 21 31.024 32.117 -1.093 1
1 163 . 19 1 1 A 21 21 GLU N N 21 119.071 117.059 2.012 1
1 164 . 19 1 1 A 22 22 THR H H 22 7.436 7.614 -0.178 1
1 165 . 19 1 1 A 22 22 THR HA H 22 4.618 4.641 -0.023 1
1 170 . 19 1 1 A 22 22 THR C C 22 173.662 173.253 0.409 1
1 171 . 19 1 1 A 22 22 THR CA C 22 60.682 60.665 0.017 1
1 172 . 19 1 1 A 22 22 THR CB C 22 70.504 70.703 -0.199 1
1 174 . 19 1 1 A 22 22 THR N N 22 111.176 110.083 1.093 1
1 175 . 19 1 1 A 23 23 TRP H H 23 9.121 9.049 0.072 1
1 176 . 19 1 1 A 23 23 TRP HA H 23 4.983 5.530 -0.547 1
1 185 . 19 1 1 A 23 23 TRP C C 23 175.888 176.458 -0.570 1
1 186 . 19 1 1 A 23 23 TRP CA C 23 56.570 56.599 -0.029 1
1 187 . 19 1 1 A 23 23 TRP CB C 23 32.176 30.941 1.235 1
1 193 . 19 1 1 A 23 23 TRP N N 23 127.096 127.146 -0.050 1
1 195 . 19 1 1 A 24 24 SER H H 24 9.273 9.262 0.011 1
1 196 . 19 1 1 A 24 24 SER HA H 24 4.948 5.148 -0.200 1
1 199 . 19 1 1 A 24 24 SER C C 24 173.268 172.362 0.906 1
1 200 . 19 1 1 A 24 24 SER CA C 24 57.346 57.504 -0.158 1
1 201 . 19 1 1 A 24 24 SER CB C 24 65.445 66.750 -1.305 1
1 202 . 19 1 1 A 24 24 SER N N 24 118.031 117.010 1.021 1
1 203 . 19 1 1 A 25 25 GLU H H 25 8.990 8.739 0.251 1
1 204 . 19 1 1 A 25 25 GLU HA H 25 4.737 4.663 0.074 1
1 209 . 19 1 1 A 25 25 GLU C C 25 176.246 176.243 0.003 1
1 210 . 19 1 1 A 25 25 GLU CA C 25 57.170 56.481 0.689 1
1 211 . 19 1 1 A 25 25 GLU CB C 25 30.202 30.710 -0.508 1
1 213 . 19 1 1 A 25 25 GLU N N 25 125.088 124.688 0.400 1
1 214 . 19 1 1 A 26 26 VAL H H 26 9.012 8.796 0.216 1
1 215 . 19 1 1 A 26 26 VAL HA H 26 5.002 4.975 0.027 1
1 223 . 19 1 1 A 26 26 VAL C C 26 174.304 173.444 0.860 1
1 224 . 19 1 1 A 26 26 VAL CA C 26 58.917 59.442 -0.525 1
1 225 . 19 1 1 A 26 26 VAL CB C 26 35.753 36.195 -0.442 1
1 228 . 19 1 1 A 26 26 VAL N N 26 118.076 119.148 -1.072 1
1 229 . 19 1 1 A 27 27 TRP H H 27 8.880 8.800 0.080 1
1 230 . 19 1 1 A 27 27 TRP HA H 27 4.814 5.517 -0.703 1
1 239 . 19 1 1 A 27 27 TRP C C 27 174.255 174.162 0.093 1
1 240 . 19 1 1 A 27 27 TRP CA C 27 57.117 54.901 2.216 1
1 241 . 19 1 1 A 27 27 TRP CB C 27 30.325 32.747 -2.422 1
1 247 . 19 1 1 A 27 27 TRP N N 27 122.873 125.080 -2.207 1
1 249 . 19 1 1 A 28 28 ALA H H 28 8.482 8.643 -0.161 1
1 250 . 19 1 1 A 28 28 ALA HA H 28 5.329 5.218 0.111 1
1 254 . 19 1 1 A 28 28 ALA C C 28 175.519 175.999 -0.480 1
1 255 . 19 1 1 A 28 28 ALA CA C 28 49.670 50.278 -0.608 1
1 256 . 19 1 1 A 28 28 ALA CB C 28 23.827 20.977 2.850 1
1 257 . 19 1 1 A 28 28 ALA N N 28 133.586 129.962 3.624 1
1 258 . 19 1 1 A 29 29 ALA H H 29 8.948 8.982 -0.034 1
1 259 . 19 1 1 A 29 29 ALA HA H 29 5.160 5.260 -0.100 1
1 263 . 19 1 1 A 29 29 ALA C C 29 175.956 176.183 -0.227 1
1 264 . 19 1 1 A 29 29 ALA CA C 29 52.210 51.593 0.617 1
1 265 . 19 1 1 A 29 29 ALA CB C 29 23.697 23.315 0.382 1
1 266 . 19 1 1 A 29 29 ALA N N 29 119.901 124.415 -4.514 1
1 267 . 19 1 1 A 30 30 ILE H H 30 8.245 8.572 -0.327 1
1 268 . 19 1 1 A 30 30 ILE HA H 30 5.313 4.649 0.664 1
1 278 . 19 1 1 A 30 30 ILE C C 30 174.004 174.428 -0.424 1
1 279 . 19 1 1 A 30 30 ILE CA C 30 57.699 57.389 0.310 1
1 280 . 19 1 1 A 30 30 ILE CB C 30 40.565 39.263 1.302 1
1 284 . 19 1 1 A 30 30 ILE N N 30 122.332 120.968 1.364 1
1 285 . 19 1 1 A 31 31 PRO HA H 31 4.655 4.670 -0.015 1
1 292 . 19 1 1 A 31 31 PRO C C 31 177.566 177.984 -0.418 1
1 293 . 19 1 1 A 31 31 PRO CA C 31 62.464 62.493 -0.029 1
1 294 . 19 1 1 A 31 31 PRO CB C 31 31.929 31.480 0.449 1
1 297 . 19 1 1 A 32 32 MET H H 32 8.572 8.626 -0.054 1
1 298 . 19 1 1 A 32 32 MET HA H 32 3.997 4.092 -0.095 1
1 306 . 19 1 1 A 32 32 MET C C 32 177.770 178.091 -0.321 1
1 307 . 19 1 1 A 32 32 MET CA C 32 58.158 58.753 -0.595 1
1 308 . 19 1 1 A 32 32 MET CB C 32 31.929 31.858 0.071 1
1 311 . 19 1 1 A 32 32 MET N N 32 121.580 124.217 -2.637 1
1 312 . 19 1 1 A 33 33 SER H H 33 8.163 8.234 -0.071 1
1 313 . 19 1 1 A 33 33 SER HA H 33 4.213 4.232 -0.019 1
1 316 . 19 1 1 A 33 33 SER C C 33 174.424 174.348 0.076 1
1 317 . 19 1 1 A 33 33 SER CA C 33 58.864 61.550 -2.686 1
1 318 . 19 1 1 A 33 33 SER CB C 33 63.225 63.111 0.114 1
1 319 . 19 1 1 A 33 33 SER N N 33 109.218 115.226 -6.008 1
1 320 . 19 1 1 A 34 34 ASP H H 34 7.179 7.995 -0.816 1
1 321 . 19 1 1 A 34 34 ASP HA H 34 4.912 5.094 -0.182 1
1 324 . 19 1 1 A 34 34 ASP C C 34 171.847 174.218 -2.371 1
1 325 . 19 1 1 A 34 34 ASP CA C 34 52.581 51.255 1.326 1
1 326 . 19 1 1 A 34 34 ASP CB C 34 41.223 41.442 -0.219 1
1 327 . 19 1 1 A 34 34 ASP N N 34 120.601 120.208 0.393 1
1 328 . 19 1 1 A 35 35 PRO HA H 35 4.510 4.488 0.022 1
1 335 . 19 1 1 A 35 35 PRO C C 35 175.635 176.002 -0.367 1
1 336 . 19 1 1 A 35 35 PRO CA C 35 64.511 63.995 0.516 1
1 337 . 19 1 1 A 35 35 PRO CB C 35 31.729 31.951 -0.222 1
1 340 . 19 1 1 A 36 36 GLN H H 36 7.982 8.173 -0.191 1
1 341 . 19 1 1 A 36 36 GLN HA H 36 4.472 4.464 0.008 1
1 348 . 19 1 1 A 36 36 GLN C C 36 174.646 174.706 -0.060 1
1 349 . 19 1 1 A 36 36 GLN CA C 36 55.193 55.783 -0.590 1
1 350 . 19 1 1 A 36 36 GLN CB C 36 29.420 29.694 -0.274 1
1 352 . 19 1 1 A 36 36 GLN N N 36 114.393 117.939 -3.546 1
1 354 . 19 1 1 A 37 37 VAL H H 37 7.878 7.569 0.309 1
1 355 . 19 1 1 A 37 37 VAL HA H 37 4.546 4.699 -0.153 1
1 363 . 19 1 1 A 37 37 VAL C C 37 172.485 172.746 -0.261 1
1 364 . 19 1 1 A 37 37 VAL CA C 37 60.987 60.422 0.565 1
1 365 . 19 1 1 A 37 37 VAL CB C 37 35.218 34.764 0.454 1
1 368 . 19 1 1 A 37 37 VAL N N 37 120.432 119.680 0.752 1
1 369 . 19 1 1 A 38 38 LEU H H 38 7.992 8.796 -0.804 1
1 370 . 19 1 1 A 38 38 LEU HA H 38 4.770 5.265 -0.495 1
1 380 . 19 1 1 A 38 38 LEU C C 38 175.193 175.248 -0.055 1
1 381 . 19 1 1 A 38 38 LEU CA C 38 53.146 53.174 -0.028 1
1 382 . 19 1 1 A 38 38 LEU CB C 38 45.359 44.555 0.804 1
1 386 . 19 1 1 A 38 38 LEU N N 38 123.585 130.116 -6.531 1
1 387 . 19 1 1 A 39 39 HIS H H 39 9.442 8.927 0.515 1
1 388 . 19 1 1 A 39 39 HIS HA H 39 5.212 4.792 0.420 1
1 393 . 19 1 1 A 39 39 HIS C C 39 175.351 175.732 -0.381 1
1 394 . 19 1 1 A 39 39 HIS CA C 39 55.211 56.325 -1.114 1
1 395 . 19 1 1 A 39 39 HIS CB C 39 32.669 30.869 1.800 1
1 398 . 19 1 1 A 39 39 HIS N N 39 126.949 126.320 0.629 1
1 399 . 19 1 1 A 40 40 LEU H H 40 8.424 8.240 0.184 1
1 400 . 19 1 1 A 40 40 LEU HA H 40 5.082 5.072 0.010 1
1 410 . 19 1 1 A 40 40 LEU C C 40 176.050 175.423 0.627 1
1 411 . 19 1 1 A 40 40 LEU CA C 40 53.552 53.668 -0.116 1
1 412 . 19 1 1 A 40 40 LEU CB C 40 44.019 44.933 -0.914 1
1 416 . 19 1 1 A 40 40 LEU N N 40 122.395 122.426 -0.031 1
1 417 . 19 1 1 A 41 41 GLN H H 41 8.972 8.933 0.039 1
1 418 . 19 1 1 A 41 41 GLN HA H 41 4.723 5.334 -0.611 1
1 425 . 19 1 1 A 41 41 GLN C C 41 175.453 176.001 -0.548 1
1 426 . 19 1 1 A 41 41 GLN CA C 41 54.840 54.146 0.694 1
1 427 . 19 1 1 A 41 41 GLN CB C 41 31.946 31.996 -0.050 1
1 429 . 19 1 1 A 41 41 GLN N N 41 121.779 122.438 -0.659 1
1 431 . 19 1 1 A 42 42 GLY H H 42 8.739 8.384 0.355 1
1 432 . 19 1 1 A 42 42 GLY HA2 H 42 4.252 4.280 -0.028 1
1 433 . 19 1 1 A 42 42 GLY HA3 H 42 4.200 4.301 -0.101 1
1 434 . 19 1 1 A 42 42 GLY C C 42 173.938 172.396 1.542 1
1 435 . 19 1 1 A 42 42 GLY CA C 42 44.746 45.911 -1.165 1
1 436 . 19 1 1 A 42 42 GLY N N 42 112.892 109.131 3.761 1
1 437 . 19 1 1 A 43 43 GLY H H 43 8.709 8.715 -0.006 1
1 438 . 19 1 1 A 43 43 GLY HA2 H 43 4.110 4.110 0.000 1
1 439 . 19 1 1 A 43 43 GLY HA3 H 43 3.962 4.113 -0.151 1
1 440 . 19 1 1 A 43 43 GLY C C 43 174.713 174.075 0.638 1
1 441 . 19 1 1 A 43 43 GLY CA C 43 45.346 44.637 0.709 1
1 442 . 19 1 1 A 43 43 GLY N N 43 108.768 109.003 -0.235 1
1 443 . 19 1 1 A 44 44 SER H H 44 8.369 8.863 -0.494 1
1 444 . 19 1 1 A 44 44 SER C C 44 175.312 174.475 0.837 1
1 445 . 19 1 1 A 44 44 SER CA C 44 58.723 57.666 1.057 1
1 446 . 19 1 1 A 44 44 SER CB C 44 63.924 62.820 1.104 1
1 447 . 19 1 1 A 44 44 SER N N 44 115.582 114.931 0.651 1
1 448 . 19 1 1 A 45 45 GLN HA H 45 4.346 4.421 -0.075 1
1 455 . 19 1 1 A 45 45 GLN C C 45 175.931 176.905 -0.974 1
1 456 . 19 1 1 A 45 45 GLN CA C 45 56.358 57.134 -0.776 1
1 457 . 19 1 1 A 45 45 GLN CB C 45 28.392 29.727 -1.335 1
1 460 . 19 1 1 A 46 46 ASP H H 46 8.053 8.010 0.043 1
1 461 . 19 1 1 A 46 46 ASP HA H 46 4.615 4.763 -0.148 1
1 464 . 19 1 1 A 46 46 ASP C C 46 176.998 177.402 -0.404 1
1 465 . 19 1 1 A 46 46 ASP CA C 46 54.188 54.949 -0.761 1
1 466 . 19 1 1 A 46 46 ASP CB C 46 41.099 42.282 -1.183 1
1 467 . 19 1 1 A 46 46 ASP N N 46 119.460 115.707 3.753 1
1 468 . 19 1 1 A 47 47 GLY H H 47 8.311 7.803 0.508 1
1 469 . 19 1 1 A 47 47 GLY HA2 H 47 3.970 3.969 0.001 1
1 470 . 19 1 1 A 47 47 GLY HA3 H 47 3.970 3.974 -0.004 1
1 471 . 19 1 1 A 47 47 GLY C C 47 174.725 175.924 -1.199 1
1 472 . 19 1 1 A 47 47 GLY CA C 47 45.892 45.304 0.588 1
1 473 . 19 1 1 A 47 47 GLY N N 47 109.753 108.510 1.243 1
1 474 . 19 1 1 A 48 48 ARG H H 48 8.300 8.182 0.118 1
1 475 . 19 1 1 A 48 48 ARG HA H 48 4.308 4.057 0.251 1
1 482 . 19 1 1 A 48 48 ARG C C 48 176.347 177.131 -0.784 1
1 483 . 19 1 1 A 48 48 ARG CA C 48 56.782 58.894 -2.112 1
1 484 . 19 1 1 A 48 48 ARG CB C 48 30.654 29.860 0.794 1
1 487 . 19 1 1 A 48 48 ARG N N 48 119.526 120.282 -0.756 1
1 488 . 19 1 1 A 49 49 LEU H H 49 7.682 7.584 0.098 1
1 489 . 19 1 1 A 49 49 LEU HA H 49 4.252 4.046 0.206 1
1 499 . 19 1 1 A 49 49 LEU C C 49 174.707 175.498 -0.791 1
1 500 . 19 1 1 A 49 49 LEU CA C 49 53.040 53.304 -0.264 1
1 501 . 19 1 1 A 49 49 LEU CB C 49 41.759 43.072 -1.313 1
1 505 . 19 1 1 A 49 49 LEU N N 49 121.049 121.347 -0.298 1
1 506 . 19 1 1 A 50 50 PRO HA H 50 4.392 4.413 -0.021 1
1 513 . 19 1 1 A 50 50 PRO C C 50 175.058 177.538 -2.480 1
1 514 . 19 1 1 A 50 50 PRO CA C 50 62.323 63.256 -0.933 1
1 515 . 19 1 1 A 50 50 PRO CB C 50 31.353 31.873 -0.520 1
1 518 . 19 1 1 A 51 51 ARG H H 51 8.295 8.465 -0.170 1
1 519 . 19 1 1 A 51 51 ARG HA H 51 4.511 3.972 0.539 1
1 526 . 19 1 1 A 51 51 ARG C C 51 177.443 176.292 1.151 1
1 527 . 19 1 1 A 51 51 ARG CA C 51 56.728 58.495 -1.767 1
1 528 . 19 1 1 A 51 51 ARG CB C 51 31.194 29.659 1.535 1
1 531 . 19 1 1 A 51 51 ARG N N 51 119.201 123.409 -4.208 1
1 532 . 19 1 1 A 52 52 THR H H 52 7.372 8.128 -0.756 1
1 533 . 19 1 1 A 52 52 THR HA H 52 4.963 4.861 0.102 1
1 538 . 19 1 1 A 52 52 THR C C 52 173.287 173.064 0.223 1
1 539 . 19 1 1 A 52 52 THR CA C 52 59.411 59.944 -0.533 1
1 540 . 19 1 1 A 52 52 THR CB C 52 71.632 71.649 -0.017 1
1 542 . 19 1 1 A 52 52 THR N N 52 109.591 109.290 0.301 1
1 543 . 19 1 1 A 53 53 ILE H H 53 8.742 8.700 0.042 1
1 544 . 19 1 1 A 53 53 ILE HA H 53 3.845 4.552 -0.707 1
1 554 . 19 1 1 A 53 53 ILE C C 53 173.374 174.404 -1.030 1
1 555 . 19 1 1 A 53 53 ILE CA C 53 57.735 57.237 0.498 1
1 556 . 19 1 1 A 53 53 ILE CB C 53 41.196 40.816 0.380 1
1 560 . 19 1 1 A 53 53 ILE N N 53 123.236 123.793 -0.557 1
1 561 . 19 1 1 A 54 54 PRO HA H 54 4.541 4.627 -0.086 1
1 568 . 19 1 1 A 54 54 PRO CA C 54 61.292 62.288 -0.996 1
1 569 . 19 1 1 A 54 54 PRO CB C 54 30.119 30.970 -0.851 1
1 572 . 19 1 1 A 55 55 LEU H H 55 8.146 8.392 -0.246 1
1 573 . 19 1 1 A 55 55 LEU HA H 55 4.262 3.825 0.437 1
1 583 . 19 1 1 A 55 55 LEU CA C 55 58.660 58.974 -0.314 1
1 584 . 19 1 1 A 55 55 LEU CB C 55 39.660 39.571 0.089 1
1 588 . 19 1 1 A 55 55 LEU N N 55 127.224 123.653 3.571 1
1 589 . 19 1 1 A 56 56 PRO HA H 56 4.630 4.383 0.247 1
1 596 . 19 1 1 A 56 56 PRO C C 56 177.498 178.020 -0.522 1
1 597 . 19 1 1 A 56 56 PRO CA C 56 65.782 65.174 0.608 1
1 598 . 19 1 1 A 56 56 PRO CB C 56 31.188 31.505 -0.317 1
1 601 . 19 1 1 A 57 57 SER H H 57 7.722 8.028 -0.306 1
1 602 . 19 1 1 A 57 57 SER HA H 57 4.723 4.817 -0.094 1
1 605 . 19 1 1 A 57 57 SER C C 57 174.102 174.040 0.062 1
1 606 . 19 1 1 A 57 57 SER CA C 57 58.423 58.656 -0.233 1
1 607 . 19 1 1 A 57 57 SER CB C 57 63.924 65.207 -1.283 1
1 608 . 19 1 1 A 57 57 SER N N 57 110.169 111.355 -1.186 1
1 609 . 19 1 1 A 58 58 CYS H H 58 8.002 7.584 0.418 1
1 610 . 19 1 1 A 58 58 CYS HA H 58 5.282 4.348 0.934 1
1 613 . 19 1 1 A 58 58 CYS C C 58 174.525 174.343 0.182 1
1 614 . 19 1 1 A 58 58 CYS CA C 58 59.447 60.145 -0.698 1
1 615 . 19 1 1 A 58 58 CYS CB C 58 29.594 27.913 1.681 1
1 616 . 19 1 1 A 58 58 CYS N N 58 118.902 118.085 0.817 1
1 617 . 19 1 1 A 59 59 LYS H H 59 9.242 8.707 0.535 1
1 618 . 19 1 1 A 59 59 LYS HA H 59 4.777 4.758 0.019 1
1 627 . 19 1 1 A 59 59 LYS C C 59 175.947 175.041 0.906 1
1 628 . 19 1 1 A 59 59 LYS CA C 59 55.299 54.947 0.352 1
1 629 . 19 1 1 A 59 59 LYS CB C 59 34.561 33.808 0.753 1
1 633 . 19 1 1 A 59 59 LYS N N 59 122.306 126.133 -3.827 1
1 634 . 19 1 1 A 60 60 LEU H H 60 9.030 9.001 0.029 1
1 635 . 19 1 1 A 60 60 LEU HA H 60 5.543 4.710 0.833 1
1 645 . 19 1 1 A 60 60 LEU C C 60 176.239 176.625 -0.386 1
1 646 . 19 1 1 A 60 60 LEU CA C 60 53.958 54.698 -0.740 1
1 647 . 19 1 1 A 60 60 LEU CB C 60 44.454 42.363 2.091 1
1 651 . 19 1 1 A 60 60 LEU N N 60 129.520 129.339 0.181 1
1 652 . 19 1 1 A 61 61 SER H H 61 9.077 8.383 0.694 1
1 653 . 19 1 1 A 61 61 SER HA H 61 4.832 4.948 -0.116 1
1 656 . 19 1 1 A 61 61 SER C C 61 172.173 173.041 -0.868 1
1 657 . 19 1 1 A 61 61 SER CA C 61 57.558 57.499 0.059 1
1 658 . 19 1 1 A 61 61 SER CB C 61 65.692 66.321 -0.629 1
1 659 . 19 1 1 A 61 61 SER N N 61 117.374 119.130 -1.756 1
1 660 . 19 1 1 A 62 62 VAL H H 62 8.784 8.734 0.050 1
1 661 . 19 1 1 A 62 62 VAL HA H 62 4.927 4.666 0.261 1
1 669 . 19 1 1 A 62 62 VAL C C 62 174.367 174.639 -0.272 1
1 670 . 19 1 1 A 62 62 VAL CA C 62 59.782 59.798 -0.016 1
1 671 . 19 1 1 A 62 62 VAL CB C 62 33.518 31.983 1.535 1
1 674 . 19 1 1 A 62 62 VAL N N 62 119.929 126.285 -6.356 1
1 675 . 19 1 1 A 63 63 PRO HA H 63 4.495 4.719 -0.224 1
1 682 . 19 1 1 A 63 63 PRO CA C 63 62.526 62.311 0.215 1
1 683 . 19 1 1 A 63 63 PRO CB C 63 32.504 32.967 -0.463 1
1 686 . 19 1 1 A 64 64 ASP H H 64 8.762 8.501 0.261 1
1 687 . 19 1 1 A 64 64 ASP HA H 64 4.780 5.203 -0.423 1
1 690 . 19 1 1 A 64 64 ASP CA C 64 53.231 51.127 2.104 1
1 691 . 19 1 1 A 64 64 ASP CB C 64 41.105 41.674 -0.569 1
1 692 . 19 1 1 A 64 64 ASP N N 64 123.527 120.645 2.882 1
1 693 . 19 1 1 A 65 65 PRO HA H 65 4.371 4.299 0.072 1
1 700 . 19 1 1 A 65 65 PRO C C 65 178.309 178.566 -0.257 1
1 701 . 19 1 1 A 65 65 PRO CA C 65 64.829 65.378 -0.549 1
1 702 . 19 1 1 A 65 65 PRO CB C 65 32.136 31.976 0.160 1
1 705 . 19 1 1 A 66 66 GLU H H 66 8.890 8.530 0.360 1
1 706 . 19 1 1 A 66 66 GLU HA H 66 4.129 4.051 0.078 1
1 711 . 19 1 1 A 66 66 GLU C C 66 177.222 177.506 -0.284 1
1 712 . 19 1 1 A 66 66 GLU CA C 66 57.805 59.318 -1.513 1
1 713 . 19 1 1 A 66 66 GLU CB C 66 29.334 29.116 0.218 1
1 715 . 19 1 1 A 66 66 GLU N N 66 117.225 117.513 -0.288 1
1 716 . 19 1 1 A 67 67 GLU H H 67 7.971 8.461 -0.490 1
1 717 . 19 1 1 A 67 67 GLU HA H 67 4.136 4.423 -0.287 1
1 722 . 19 1 1 A 67 67 GLU C C 67 176.058 176.033 0.025 1
1 723 . 19 1 1 A 67 67 GLU CA C 67 57.328 56.547 0.781 1
1 724 . 19 1 1 A 67 67 GLU CB C 67 29.594 30.762 -1.168 1
1 726 . 19 1 1 A 67 67 GLU N N 67 119.516 118.509 1.007 1
1 727 . 19 1 1 A 68 68 ARG H H 68 8.020 8.419 -0.399 1
1 728 . 19 1 1 A 68 68 ARG HA H 68 4.043 4.811 -0.768 1
1 735 . 19 1 1 A 68 68 ARG C C 68 175.591 175.040 0.551 1
1 736 . 19 1 1 A 68 68 ARG CA C 68 56.075 55.061 1.014 1
1 737 . 19 1 1 A 68 68 ARG CB C 68 28.927 30.922 -1.995 1
1 740 . 19 1 1 A 68 68 ARG N N 68 118.917 120.302 -1.385 1
1 741 . 19 1 1 A 69 69 LEU H H 69 8.188 8.841 -0.653 1
1 742 . 19 1 1 A 69 69 LEU HA H 69 4.372 5.185 -0.813 1
1 752 . 19 1 1 A 69 69 LEU C C 69 176.013 175.821 0.192 1
1 753 . 19 1 1 A 69 69 LEU CA C 69 54.682 53.423 1.259 1
1 754 . 19 1 1 A 69 69 LEU CB C 69 43.238 45.740 -2.502 1
1 758 . 19 1 1 A 69 69 LEU N N 69 122.935 125.539 -2.604 1
1 759 . 19 1 1 A 70 70 ASP H H 70 8.382 8.581 -0.199 1
1 760 . 19 1 1 A 70 70 ASP HA H 70 4.123 4.650 -0.527 1
1 763 . 19 1 1 A 70 70 ASP C C 70 175.200 176.508 -1.308 1
1 764 . 19 1 1 A 70 70 ASP CA C 70 54.558 55.434 -0.876 1
1 765 . 19 1 1 A 70 70 ASP CB C 70 40.634 40.797 -0.163 1
1 766 . 19 1 1 A 70 70 ASP N N 70 119.400 119.696 -0.296 1
1 767 . 19 1 1 A 71 71 SER H H 71 7.391 7.118 0.273 1
1 768 . 19 1 1 A 71 71 SER HA H 71 4.233 4.290 -0.057 1
1 771 . 19 1 1 A 71 71 SER C C 71 174.294 174.577 -0.283 1
1 772 . 19 1 1 A 71 71 SER CA C 71 58.017 58.608 -0.591 1
1 773 . 19 1 1 A 71 71 SER CB C 71 63.430 64.422 -0.992 1
1 774 . 19 1 1 A 71 71 SER N N 71 114.807 113.671 1.136 1
1 775 . 19 1 1 A 72 72 GLY H H 72 7.981 8.249 -0.268 1
1 776 . 19 1 1 A 72 72 GLY HA2 H 72 3.702 3.582 0.120 1
1 777 . 19 1 1 A 72 72 GLY HA3 H 72 3.610 3.708 -0.098 1
1 778 . 19 1 1 A 72 72 GLY C C 72 172.912 173.885 -0.973 1
1 779 . 19 1 1 A 72 72 GLY CA C 72 44.675 46.468 -1.793 1
1 780 . 19 1 1 A 72 72 GLY N N 72 108.675 111.535 -2.860 1
1 781 . 19 1 1 A 73 73 HIS H H 73 8.462 7.927 0.535 1
1 782 . 19 1 1 A 73 73 HIS HA H 73 4.859 5.065 -0.206 1
1 787 . 19 1 1 A 73 73 HIS C C 73 174.804 174.231 0.573 1
1 788 . 19 1 1 A 73 73 HIS CA C 73 54.700 55.095 -0.395 1
1 789 . 19 1 1 A 73 73 HIS CB C 73 28.762 29.888 -1.126 1
1 792 . 19 1 1 A 73 73 HIS N N 73 122.843 117.751 5.092 1
1 793 . 19 1 1 A 74 74 VAL H H 74 7.682 8.772 -1.090 1
1 794 . 19 1 1 A 74 74 VAL HA H 74 5.402 4.724 0.678 1
1 802 . 19 1 1 A 74 74 VAL C C 74 176.121 173.872 2.249 1
1 803 . 19 1 1 A 74 74 VAL CA C 74 61.246 60.243 1.003 1
1 804 . 19 1 1 A 74 74 VAL CB C 74 35.383 35.717 -0.334 1
1 807 . 19 1 1 A 74 74 VAL N N 74 120.824 121.684 -0.860 1
1 808 . 19 1 1 A 75 75 TRP H H 75 9.581 8.275 1.306 1
1 809 . 19 1 1 A 75 75 TRP HA H 75 5.342 5.807 -0.465 1
1 818 . 19 1 1 A 75 75 TRP C C 75 171.123 173.321 -2.198 1
1 819 . 19 1 1 A 75 75 TRP CA C 75 57.046 54.341 2.705 1
1 820 . 19 1 1 A 75 75 TRP CB C 75 32.834 32.999 -0.165 1
1 826 . 19 1 1 A 75 75 TRP N N 75 124.656 124.072 0.584 1
1 828 . 19 1 1 A 76 76 LYS H H 76 9.557 9.145 0.412 1
1 829 . 19 1 1 A 76 76 LYS HA H 76 5.192 4.718 0.474 1
1 838 . 19 1 1 A 76 76 LYS C C 76 174.801 174.924 -0.123 1
1 839 . 19 1 1 A 76 76 LYS CA C 76 54.876 54.431 0.445 1
1 840 . 19 1 1 A 76 76 LYS CB C 76 36.740 35.520 1.220 1
1 844 . 19 1 1 A 76 76 LYS N N 76 121.724 120.864 0.860 1
1 845 . 19 1 1 A 77 77 LEU H H 77 8.957 8.739 0.218 1
1 846 . 19 1 1 A 77 77 LEU HA H 77 5.272 5.343 -0.071 1
1 856 . 19 1 1 A 77 77 LEU C C 77 174.927 175.084 -0.157 1
1 857 . 19 1 1 A 77 77 LEU CA C 77 54.046 54.044 0.002 1
1 858 . 19 1 1 A 77 77 LEU CB C 77 46.281 44.563 1.718 1
1 862 . 19 1 1 A 77 77 LEU N N 77 124.578 126.186 -1.608 1
1 863 . 19 1 1 A 78 78 GLN H H 78 8.629 8.740 -0.111 1
1 864 . 19 1 1 A 78 78 GLN HA H 78 5.308 5.467 -0.159 1
1 871 . 19 1 1 A 78 78 GLN C C 78 174.564 174.772 -0.208 1
1 872 . 19 1 1 A 78 78 GLN CA C 78 54.452 54.556 -0.104 1
1 873 . 19 1 1 A 78 78 GLN CB C 78 32.833 31.381 1.452 1
1 875 . 19 1 1 A 78 78 GLN N N 78 121.344 125.142 -3.798 1
1 877 . 19 1 1 A 79 79 TRP H H 79 8.601 8.280 0.321 1
1 878 . 19 1 1 A 79 79 TRP HA H 79 5.003 5.000 0.003 1
1 887 . 19 1 1 A 79 79 TRP C C 79 173.001 174.109 -1.108 1
1 888 . 19 1 1 A 79 79 TRP CA C 79 56.323 56.707 -0.384 1
1 889 . 19 1 1 A 79 79 TRP CB C 79 32.258 31.507 0.751 1
1 895 . 19 1 1 A 79 79 TRP N N 79 128.274 123.847 4.427 1
1 897 . 19 1 1 A 80 80 ALA H H 80 9.181 9.299 -0.118 1
1 898 . 19 1 1 A 80 80 ALA HA H 80 3.933 3.905 0.028 1
1 902 . 19 1 1 A 80 80 ALA C C 80 177.360 176.313 1.047 1
1 903 . 19 1 1 A 80 80 ALA CA C 80 54.222 53.204 1.018 1
1 904 . 19 1 1 A 80 80 ALA CB C 80 17.329 17.192 0.137 1
1 905 . 19 1 1 A 80 80 ALA N N 80 126.348 121.593 4.755 1
1 906 . 19 1 1 A 81 81 LYS H H 81 8.163 8.403 -0.240 1
1 907 . 19 1 1 A 81 81 LYS HA H 81 4.290 3.711 0.579 1
1 916 . 19 1 1 A 81 81 LYS C C 81 176.068 174.423 1.645 1
1 917 . 19 1 1 A 81 81 LYS CA C 81 56.305 57.396 -1.091 1
1 918 . 19 1 1 A 81 81 LYS CB C 81 31.312 29.338 1.974 1
1 922 . 19 1 1 A 81 81 LYS N N 81 120.289 107.364 12.925 1
1 923 . 19 1 1 A 82 82 GLN H H 82 8.423 7.641 0.782 1
1 924 . 19 1 1 A 82 82 GLN HA H 82 4.255 4.755 -0.500 1
1 931 . 19 1 1 A 82 82 GLN C C 82 174.996 173.930 1.066 1
1 932 . 19 1 1 A 82 82 GLN CA C 82 54.805 53.879 0.926 1
1 933 . 19 1 1 A 82 82 GLN CB C 82 30.942 32.376 -1.434 1
1 935 . 19 1 1 A 82 82 GLN N N 82 119.918 116.438 3.480 1
1 937 . 19 1 1 A 83 83 SER H H 83 7.683 8.412 -0.729 1
1 938 . 19 1 1 A 83 83 SER HA H 83 4.991 5.354 -0.363 1
1 941 . 19 1 1 A 83 83 SER C C 83 171.947 172.680 -0.733 1
1 942 . 19 1 1 A 83 83 SER CA C 83 57.629 57.372 0.257 1
1 943 . 19 1 1 A 83 83 SER CB C 83 64.664 65.375 -0.711 1
1 944 . 19 1 1 A 83 83 SER N N 83 115.649 113.119 2.530 1
1 945 . 19 1 1 A 84 84 TRP H H 84 8.665 8.974 -0.309 1
1 946 . 19 1 1 A 84 84 TRP HA H 84 4.714 5.066 -0.352 1
1 955 . 19 1 1 A 84 84 TRP C C 84 174.105 174.857 -0.752 1
1 956 . 19 1 1 A 84 84 TRP CA C 84 56.834 56.325 0.509 1
1 957 . 19 1 1 A 84 84 TRP CB C 84 33.368 33.467 -0.099 1
1 963 . 19 1 1 A 84 84 TRP N N 84 122.334 124.997 -2.663 1
1 965 . 19 1 1 A 85 85 TYR H H 85 9.220 8.984 0.236 1
1 966 . 19 1 1 A 85 85 TYR HA H 85 5.209 5.253 -0.044 1
1 973 . 19 1 1 A 85 85 TYR C C 85 175.136 175.166 -0.030 1
1 974 . 19 1 1 A 85 85 TYR CA C 85 56.993 56.401 0.592 1
1 975 . 19 1 1 A 85 85 TYR CB C 85 41.058 40.981 0.077 1
1 980 . 19 1 1 A 85 85 TYR N N 85 117.934 122.248 -4.314 1
1 981 . 19 1 1 A 86 86 LEU H H 86 8.662 8.398 0.264 1
1 982 . 19 1 1 A 86 86 LEU HA H 86 5.172 4.944 0.228 1
1 992 . 19 1 1 A 86 86 LEU C C 86 174.454 174.814 -0.360 1
1 993 . 19 1 1 A 86 86 LEU CA C 86 53.587 53.581 0.006 1
1 994 . 19 1 1 A 86 86 LEU CB C 86 43.773 43.480 0.293 1
1 998 . 19 1 1 A 86 86 LEU N N 86 121.945 123.589 -1.644 1
1 999 . 19 1 1 A 87 87 SER H H 87 8.642 8.413 0.229 1
1 1000 . 19 1 1 A 87 87 SER HA H 87 4.995 4.999 -0.004 1
1 1003 . 19 1 1 A 87 87 SER C C 87 173.683 173.318 0.365 1
1 1004 . 19 1 1 A 87 87 SER CA C 87 55.052 57.610 -2.558 1
1 1005 . 19 1 1 A 87 87 SER CB C 87 65.487 64.215 1.272 1
1 1006 . 19 1 1 A 87 87 SER N N 87 111.719 121.413 -9.694 1
1 1007 . 19 1 1 A 88 88 ALA H H 88 8.472 8.877 -0.405 1
1 1008 . 19 1 1 A 88 88 ALA HA H 88 5.184 4.840 0.344 1
1 1012 . 19 1 1 A 88 88 ALA C C 88 178.012 178.037 -0.025 1
1 1013 . 19 1 1 A 88 88 ALA CA C 88 49.423 50.380 -0.957 1
1 1014 . 19 1 1 A 88 88 ALA CB C 88 22.919 21.642 1.277 1
1 1015 . 19 1 1 A 88 88 ALA N N 88 126.939 128.037 -1.098 1
1 1016 . 19 1 1 A 89 89 SER H H 89 8.182 8.574 -0.392 1
1 1017 . 19 1 1 A 89 89 SER HA H 89 4.274 4.222 0.052 1
1 1020 . 19 1 1 A 89 89 SER C C 89 174.039 174.504 -0.465 1
1 1021 . 19 1 1 A 89 89 SER CA C 89 60.135 61.818 -1.683 1
1 1022 . 19 1 1 A 89 89 SER CB C 89 63.571 63.118 0.453 1
1 1023 . 19 1 1 A 89 89 SER N N 89 111.359 116.478 -5.119 1
1 1024 . 19 1 1 A 90 90 SER H H 90 7.392 7.796 -0.404 1
1 1025 . 19 1 1 A 90 90 SER HA H 90 4.383 4.539 -0.156 1
1 1028 . 19 1 1 A 90 90 SER C C 90 173.114 173.549 -0.435 1
1 1029 . 19 1 1 A 90 90 SER CA C 90 56.023 57.212 -1.189 1
1 1030 . 19 1 1 A 90 90 SER CB C 90 67.108 66.644 0.464 1
1 1031 . 19 1 1 A 90 90 SER N N 90 113.112 113.884 -0.772 1
1 1032 . 19 1 1 A 91 91 ALA H H 91 8.532 8.069 0.463 1
1 1033 . 19 1 1 A 91 91 ALA HA H 91 3.763 3.847 -0.084 1
1 1037 . 19 1 1 A 91 91 ALA C C 91 179.816 179.596 0.220 1
1 1038 . 19 1 1 A 91 91 ALA CA C 91 54.699 55.124 -0.425 1
1 1039 . 19 1 1 A 91 91 ALA CB C 91 18.111 18.005 0.106 1
1 1040 . 19 1 1 A 91 91 ALA N N 91 123.767 123.289 0.478 1
1 1041 . 19 1 1 A 92 92 GLU H H 92 8.766 8.089 0.677 1
1 1042 . 19 1 1 A 92 92 GLU HA H 92 3.942 4.097 -0.155 1
1 1047 . 19 1 1 A 92 92 GLU C C 92 179.568 178.439 1.129 1
1 1048 . 19 1 1 A 92 92 GLU CA C 92 60.206 59.179 1.027 1
1 1049 . 19 1 1 A 92 92 GLU CB C 92 28.721 29.305 -0.584 1
1 1051 . 19 1 1 A 92 92 GLU N N 92 118.712 116.548 2.164 1
1 1052 . 19 1 1 A 93 93 LEU H H 93 7.852 7.951 -0.099 1
1 1053 . 19 1 1 A 93 93 LEU HA H 93 4.274 4.138 0.136 1
1 1063 . 19 1 1 A 93 93 LEU C C 93 178.805 178.520 0.285 1
1 1064 . 19 1 1 A 93 93 LEU CA C 93 57.382 56.882 0.500 1
1 1065 . 19 1 1 A 93 93 LEU CB C 93 43.115 41.788 1.327 1
1 1069 . 19 1 1 A 93 93 LEU N N 93 121.212 122.085 -0.873 1
1 1070 . 19 1 1 A 94 94 GLN H H 94 8.080 8.274 -0.194 1
1 1071 . 19 1 1 A 94 94 GLN HA H 94 3.843 4.362 -0.519 1
1 1078 . 19 1 1 A 94 94 GLN C C 94 176.960 178.263 -1.303 1
1 1079 . 19 1 1 A 94 94 GLN CA C 94 59.694 58.853 0.841 1
1 1080 . 19 1 1 A 94 94 GLN CB C 94 28.063 28.721 -0.658 1
1 1082 . 19 1 1 A 94 94 GLN N N 94 120.439 119.172 1.267 1
1 1084 . 19 1 1 A 95 95 GLN H H 95 8.293 7.811 0.482 1
1 1085 . 19 1 1 A 95 95 GLN HA H 95 3.779 4.086 -0.307 1
1 1092 . 19 1 1 A 95 95 GLN C C 95 177.938 178.338 -0.400 1
1 1093 . 19 1 1 A 95 95 GLN CA C 95 59.005 58.751 0.254 1
1 1094 . 19 1 1 A 95 95 GLN CB C 95 27.610 28.842 -1.232 1
1 1096 . 19 1 1 A 95 95 GLN N N 95 117.408 118.775 -1.367 1
1 1098 . 19 1 1 A 96 96 GLN H H 96 7.731 7.859 -0.128 1
1 1099 . 19 1 1 A 96 96 GLN HA H 96 3.966 3.991 -0.025 1
1 1106 . 19 1 1 A 96 96 GLN C C 96 179.685 177.368 2.317 1
1 1107 . 19 1 1 A 96 96 GLN CA C 96 58.987 57.996 0.991 1
1 1108 . 19 1 1 A 96 96 GLN CB C 96 28.433 27.972 0.461 1
1 1110 . 19 1 1 A 96 96 GLN N N 96 119.621 117.098 2.523 1
1 1112 . 19 1 1 A 97 97 TRP H H 97 8.410 7.311 1.099 1
1 1113 . 19 1 1 A 97 97 TRP HA H 97 3.792 4.391 -0.599 1
1 1122 . 19 1 1 A 97 97 TRP C C 97 178.515 178.646 -0.131 1
1 1123 . 19 1 1 A 97 97 TRP CA C 97 61.670 59.824 1.846 1
1 1124 . 19 1 1 A 97 97 TRP CB C 97 29.972 29.817 0.155 1
1 1130 . 19 1 1 A 97 97 TRP N N 97 121.370 120.001 1.369 1
1 1132 . 19 1 1 A 98 98 LEU H H 98 8.505 7.860 0.645 1
1 1133 . 19 1 1 A 98 98 LEU HA H 98 3.485 3.552 -0.067 1
1 1143 . 19 1 1 A 98 98 LEU C C 98 180.194 178.692 1.502 1
1 1144 . 19 1 1 A 98 98 LEU CA C 98 58.706 57.985 0.721 1
1 1145 . 19 1 1 A 98 98 LEU CB C 98 41.141 41.537 -0.396 1
1 1149 . 19 1 1 A 98 98 LEU N N 98 119.038 119.970 -0.932 1
1 1150 . 19 1 1 A 99 99 GLU H H 99 8.241 8.375 -0.134 1
1 1151 . 19 1 1 A 99 99 GLU HA H 99 3.927 4.008 -0.081 1
1 1156 . 19 1 1 A 99 99 GLU C C 99 179.082 178.888 0.194 1
1 1157 . 19 1 1 A 99 99 GLU CA C 99 59.587 59.312 0.275 1
1 1158 . 19 1 1 A 99 99 GLU CB C 99 29.296 29.435 -0.139 1
1 1160 . 19 1 1 A 99 99 GLU N N 99 119.886 117.223 2.663 1
1 1161 . 19 1 1 A 100 100 THR H H 100 7.780 7.605 0.175 1
1 1162 . 19 1 1 A 100 100 THR HA H 100 3.862 3.827 0.035 1
1 1167 . 19 1 1 A 100 100 THR C C 100 176.899 176.266 0.633 1
1 1168 . 19 1 1 A 100 100 THR CA C 100 67.088 67.005 0.083 1
1 1169 . 19 1 1 A 100 100 THR CB C 100 68.178 68.207 -0.029 1
1 1171 . 19 1 1 A 100 100 THR N N 100 116.913 115.350 1.563 1
1 1172 . 19 1 1 A 101 101 LEU H H 101 9.159 8.083 1.076 1
1 1173 . 19 1 1 A 101 101 LEU HA H 101 3.993 3.848 0.145 1
1 1183 . 19 1 1 A 101 101 LEU C C 101 178.416 178.805 -0.389 1
1 1184 . 19 1 1 A 101 101 LEU CA C 101 58.017 58.067 -0.050 1
1 1185 . 19 1 1 A 101 101 LEU CB C 101 42.004 41.694 0.310 1
1 1189 . 19 1 1 A 101 101 LEU N N 101 121.065 120.486 0.579 1
1 1190 . 19 1 1 A 102 102 SER H H 102 7.978 8.620 -0.642 1
1 1191 . 19 1 1 A 102 102 SER HA H 102 4.094 3.791 0.303 1
1 1194 . 19 1 1 A 102 102 SER C C 102 176.370 176.633 -0.263 1
1 1195 . 19 1 1 A 102 102 SER CA C 102 61.794 61.178 0.616 1
1 1196 . 19 1 1 A 102 102 SER CB C 102 62.855 62.083 0.772 1
1 1197 . 19 1 1 A 102 102 SER N N 102 112.923 112.609 0.314 1
1 1198 . 19 1 1 A 103 103 THR H H 103 7.683 8.299 -0.616 1
1 1199 . 19 1 1 A 103 103 THR HA H 103 4.020 3.842 0.178 1
1 1204 . 19 1 1 A 103 103 THR C C 103 176.061 176.411 -0.350 1
1 1205 . 19 1 1 A 103 103 THR CA C 103 65.412 66.445 -1.033 1
1 1206 . 19 1 1 A 103 103 THR CB C 103 68.918 68.694 0.224 1
1 1208 . 19 1 1 A 103 103 THR N N 103 116.420 115.977 0.443 1
1 1209 . 19 1 1 A 104 104 ALA H H 104 7.760 7.932 -0.172 1
1 1210 . 19 1 1 A 104 104 ALA HA H 104 4.272 3.964 0.308 1
1 1214 . 19 1 1 A 104 104 ALA C C 104 178.160 179.492 -1.332 1
1 1215 . 19 1 1 A 104 104 ALA CA C 104 54.011 55.142 -1.131 1
1 1216 . 19 1 1 A 104 104 ALA CB C 104 20.155 18.467 1.688 1
1 1217 . 19 1 1 A 104 104 ALA N N 104 123.981 123.135 0.846 1
1 1218 . 19 1 1 A 105 105 ALA H H 105 7.824 8.235 -0.411 1
1 1219 . 19 1 1 A 105 105 ALA HA H 105 4.092 4.016 0.076 1
1 1223 . 19 1 1 A 105 105 ALA C C 105 177.657 178.703 -1.046 1
1 1224 . 19 1 1 A 105 105 ALA CA C 105 53.058 55.198 -2.140 1
1 1225 . 19 1 1 A 105 105 ALA CB C 105 19.067 19.007 0.060 1
1 1226 . 19 1 1 A 105 105 ALA N N 105 118.227 119.204 -0.977 1
1 1227 . 19 1 1 A 106 106 HIS H H 106 7.675 8.083 -0.408 1
1 1228 . 19 1 1 A 106 106 HIS HA H 106 4.703 4.603 0.100 1
1 1233 . 19 1 1 A 106 106 HIS C C 106 175.296 173.873 1.423 1
1 1234 . 19 1 1 A 106 106 HIS CA C 106 56.287 55.176 1.111 1
1 1235 . 19 1 1 A 106 106 HIS CB C 106 30.407 28.122 2.285 1
1 1238 . 19 1 1 A 106 106 HIS N N 106 115.860 115.817 0.043 1
1 1239 . 19 1 1 A 107 107 SER H H 107 8.015 8.385 -0.370 1
1 1240 . 19 1 1 A 107 107 SER HA H 107 4.560 4.940 -0.380 1
1 1243 . 19 1 1 A 107 107 SER C C 107 174.345 174.671 -0.326 1
1 1244 . 19 1 1 A 107 107 SER CA C 107 58.546 56.420 2.126 1
1 1245 . 19 1 1 A 107 107 SER CB C 107 64.130 65.554 -1.424 1
1 1246 . 19 1 1 A 107 107 SER N N 107 116.310 117.537 -1.227 1
1 1247 . 19 1 1 A 108 108 GLY H H 108 8.282 8.438 -0.156 1
1 1248 . 19 1 1 A 108 108 GLY HA2 H 108 4.213 3.899 0.314 1
1 1249 . 19 1 1 A 108 108 GLY HA3 H 108 4.042 3.901 0.141 1
1 1250 . 19 1 1 A 108 108 GLY C C 108 171.750 174.809 -3.059 1
1 1251 . 19 1 1 A 108 108 GLY CA C 108 44.640 46.172 -1.532 1
1 1252 . 19 1 1 A 108 108 GLY N N 108 110.511 109.286 1.225 1
1 1253 . 19 1 1 A 109 109 PRO HA H 109 4.497 4.599 -0.102 1
1 1260 . 19 1 1 A 109 109 PRO C C 109 177.419 176.553 0.866 1
1 1261 . 19 1 1 A 109 109 PRO CA C 109 63.241 63.497 -0.256 1
1 1262 . 19 1 1 A 109 109 PRO CB C 109 32.264 31.209 1.055 1
1 1265 . 19 1 1 A 110 110 SER H H 110 8.558 7.739 0.819 1
1 1266 . 19 1 1 A 110 110 SER C C 110 174.715 174.614 0.101 1
1 1267 . 19 1 1 A 110 110 SER CA C 110 58.335 59.365 -1.030 1
1 1268 . 19 1 1 A 110 110 SER CB C 110 63.759 63.528 0.231 1
1 1269 . 19 1 1 A 110 110 SER N N 110 116.470 116.043 0.427 1
1 1270 . 19 1 1 A 111 111 SER H H 111 8.357 8.714 -0.357 1
1 1271 . 19 1 1 A 111 111 SER C C 111 173.931 174.499 -0.568 1
1 1272 . 19 1 1 A 111 111 SER CA C 111 58.335 58.508 -0.173 1
1 1 . 20 1 1 A 8 8 SER HA H 8 5.012 4.382 0.630 1
1 4 . 20 1 1 A 8 8 SER CA C 8 58.166 59.048 -0.882 1
1 5 . 20 1 1 A 8 8 SER CB C 8 64.582 64.340 0.242 1
1 6 . 20 1 1 A 9 9 LEU H H 9 9.253 8.232 1.021 1
1 7 . 20 1 1 A 9 9 LEU HA H 9 4.091 3.987 0.104 1
1 17 . 20 1 1 A 9 9 LEU C C 9 176.799 176.632 0.167 1
1 18 . 20 1 1 A 9 9 LEU CA C 9 57.523 57.581 -0.058 1
1 19 . 20 1 1 A 9 9 LEU CB C 9 42.703 42.092 0.611 1
1 23 . 20 1 1 A 9 9 LEU N N 9 127.432 125.207 2.225 1
1 24 . 20 1 1 A 10 10 LEU H H 10 6.827 7.662 -0.835 1
1 25 . 20 1 1 A 10 10 LEU HA H 10 4.201 4.501 -0.300 1
1 35 . 20 1 1 A 10 10 LEU C C 10 173.779 174.418 -0.639 1
1 36 . 20 1 1 A 10 10 LEU CA C 10 54.399 54.234 0.165 1
1 37 . 20 1 1 A 10 10 LEU CB C 10 45.006 45.350 -0.344 1
1 41 . 20 1 1 A 10 10 LEU N N 10 116.105 117.380 -1.275 1
1 42 . 20 1 1 A 11 11 CYS H H 11 7.989 8.947 -0.958 1
1 43 . 20 1 1 A 11 11 CYS HA H 11 5.743 5.456 0.287 1
1 46 . 20 1 1 A 11 11 CYS C C 11 172.654 173.124 -0.470 1
1 47 . 20 1 1 A 11 11 CYS CA C 11 55.546 57.253 -1.707 1
1 48 . 20 1 1 A 11 11 CYS CB C 11 31.333 31.332 0.001 1
1 49 . 20 1 1 A 11 11 CYS N N 11 117.939 123.299 -5.360 1
1 50 . 20 1 1 A 12 12 GLY H H 12 8.479 7.451 1.028 1
1 51 . 20 1 1 A 12 12 GLY HA2 H 12 4.419 3.630 0.789 1
1 52 . 20 1 1 A 12 12 GLY HA3 H 12 2.832 4.048 -1.216 1
1 53 . 20 1 1 A 12 12 GLY C C 12 168.720 171.657 -2.937 1
1 54 . 20 1 1 A 12 12 GLY CA C 12 44.710 44.669 0.041 1
1 55 . 20 1 1 A 12 12 GLY N N 12 109.046 106.699 2.347 1
1 56 . 20 1 1 A 13 13 PRO HA H 13 5.163 4.472 0.691 1
1 63 . 20 1 1 A 13 13 PRO C C 13 177.501 175.101 2.400 1
1 64 . 20 1 1 A 13 13 PRO CA C 13 62.182 63.213 -1.031 1
1 65 . 20 1 1 A 13 13 PRO CB C 13 32.587 32.047 0.540 1
1 68 . 20 1 1 A 14 14 LEU H H 14 8.630 8.879 -0.249 1
1 69 . 20 1 1 A 14 14 LEU HA H 14 4.764 4.958 -0.194 1
1 79 . 20 1 1 A 14 14 LEU C C 14 175.698 174.300 1.398 1
1 80 . 20 1 1 A 14 14 LEU CA C 14 53.975 52.870 1.105 1
1 81 . 20 1 1 A 14 14 LEU CB C 14 48.936 45.563 3.373 1
1 85 . 20 1 1 A 14 14 LEU N N 14 122.246 123.919 -1.673 1
1 86 . 20 1 1 A 15 15 ARG H H 15 8.498 8.285 0.213 1
1 87 . 20 1 1 A 15 15 ARG HA H 15 5.421 5.475 -0.054 1
1 95 . 20 1 1 A 15 15 ARG C C 15 174.664 174.712 -0.048 1
1 96 . 20 1 1 A 15 15 ARG CA C 15 54.858 54.387 0.471 1
1 97 . 20 1 1 A 15 15 ARG CB C 15 34.085 34.106 -0.021 1
1 100 . 20 1 1 A 15 15 ARG N N 15 118.593 121.763 -3.170 1
1 102 . 20 1 1 A 16 16 LEU H H 16 9.244 8.661 0.583 1
1 103 . 20 1 1 A 16 16 LEU HA H 16 5.662 5.658 0.004 1
1 113 . 20 1 1 A 16 16 LEU C C 16 176.872 174.954 1.918 1
1 114 . 20 1 1 A 16 16 LEU CA C 16 53.746 53.758 -0.012 1
1 115 . 20 1 1 A 16 16 LEU CB C 16 47.803 46.627 1.176 1
1 119 . 20 1 1 A 16 16 LEU N N 16 123.893 124.723 -0.830 1
1 120 . 20 1 1 A 17 17 SER H H 17 8.982 8.956 0.026 1
1 121 . 20 1 1 A 17 17 SER HA H 17 4.484 5.423 -0.939 1
1 124 . 20 1 1 A 17 17 SER C C 17 173.790 172.805 0.985 1
1 125 . 20 1 1 A 17 17 SER CA C 17 57.081 56.958 0.123 1
1 126 . 20 1 1 A 17 17 SER CB C 17 64.487 65.229 -0.742 1
1 127 . 20 1 1 A 17 17 SER N N 17 117.455 119.230 -1.775 1
1 128 . 20 1 1 A 18 18 GLU H H 18 9.102 8.672 0.430 1
1 129 . 20 1 1 A 18 18 GLU HA H 18 3.832 4.640 -0.808 1
1 134 . 20 1 1 A 18 18 GLU C C 18 176.185 176.909 -0.724 1
1 135 . 20 1 1 A 18 18 GLU CA C 18 58.793 55.385 3.408 1
1 136 . 20 1 1 A 18 18 GLU CB C 18 30.037 29.719 0.318 1
1 138 . 20 1 1 A 18 18 GLU N N 18 129.354 122.768 6.586 1
1 139 . 20 1 1 A 19 19 SER H H 19 7.792 9.316 -1.524 1
1 140 . 20 1 1 A 19 19 SER HA H 19 4.650 4.254 0.396 1
1 143 . 20 1 1 A 19 19 SER C C 19 175.321 173.681 1.640 1
1 144 . 20 1 1 A 19 19 SER CA C 19 57.699 59.255 -1.556 1
1 145 . 20 1 1 A 19 19 SER CB C 19 65.816 62.227 3.589 1
1 146 . 20 1 1 A 19 19 SER N N 19 108.812 119.855 -11.043 1
1 147 . 20 1 1 A 20 20 GLY H H 20 8.376 8.167 0.209 1
1 148 . 20 1 1 A 20 20 GLY HA2 H 20 3.931 3.081 0.850 1
1 149 . 20 1 1 A 20 20 GLY HA3 H 20 2.690 3.460 -0.770 1
1 150 . 20 1 1 A 20 20 GLY C C 20 172.644 175.030 -2.386 1
1 151 . 20 1 1 A 20 20 GLY CA C 20 44.746 46.254 -1.508 1
1 152 . 20 1 1 A 20 20 GLY N N 20 111.458 106.229 5.229 1
1 153 . 20 1 1 A 21 21 GLU H H 21 7.522 7.934 -0.412 1
1 154 . 20 1 1 A 21 21 GLU HA H 21 4.274 4.474 -0.200 1
1 159 . 20 1 1 A 21 21 GLU C C 21 176.266 176.169 0.097 1
1 160 . 20 1 1 A 21 21 GLU CA C 21 58.069 56.536 1.533 1
1 161 . 20 1 1 A 21 21 GLU CB C 21 31.024 31.831 -0.807 1
1 163 . 20 1 1 A 21 21 GLU N N 21 119.071 118.948 0.123 1
1 164 . 20 1 1 A 22 22 THR H H 22 7.436 7.290 0.146 1
1 165 . 20 1 1 A 22 22 THR HA H 22 4.618 4.593 0.025 1
1 170 . 20 1 1 A 22 22 THR C C 22 173.662 171.497 2.165 1
1 171 . 20 1 1 A 22 22 THR CA C 22 60.682 61.039 -0.357 1
1 172 . 20 1 1 A 22 22 THR CB C 22 70.504 71.522 -1.018 1
1 174 . 20 1 1 A 22 22 THR N N 22 111.176 112.362 -1.186 1
1 175 . 20 1 1 A 23 23 TRP H H 23 9.121 9.021 0.100 1
1 176 . 20 1 1 A 23 23 TRP HA H 23 4.983 5.675 -0.692 1
1 185 . 20 1 1 A 23 23 TRP C C 23 175.888 176.058 -0.170 1
1 186 . 20 1 1 A 23 23 TRP CA C 23 56.570 55.974 0.596 1
1 187 . 20 1 1 A 23 23 TRP CB C 23 32.176 31.118 1.058 1
1 193 . 20 1 1 A 23 23 TRP N N 23 127.096 128.560 -1.464 1
1 195 . 20 1 1 A 24 24 SER H H 24 9.273 8.918 0.355 1
1 196 . 20 1 1 A 24 24 SER HA H 24 4.948 5.169 -0.221 1
1 199 . 20 1 1 A 24 24 SER C C 24 173.268 172.429 0.839 1
1 200 . 20 1 1 A 24 24 SER CA C 24 57.346 57.429 -0.083 1
1 201 . 20 1 1 A 24 24 SER CB C 24 65.445 66.469 -1.024 1
1 202 . 20 1 1 A 24 24 SER N N 24 118.031 117.919 0.112 1
1 203 . 20 1 1 A 25 25 GLU H H 25 8.990 8.662 0.328 1
1 204 . 20 1 1 A 25 25 GLU HA H 25 4.737 4.631 0.106 1
1 209 . 20 1 1 A 25 25 GLU C C 25 176.246 176.429 -0.183 1
1 210 . 20 1 1 A 25 25 GLU CA C 25 57.170 56.473 0.697 1
1 211 . 20 1 1 A 25 25 GLU CB C 25 30.202 30.333 -0.131 1
1 213 . 20 1 1 A 25 25 GLU N N 25 125.088 123.895 1.193 1
1 214 . 20 1 1 A 26 26 VAL H H 26 9.012 9.064 -0.052 1
1 215 . 20 1 1 A 26 26 VAL HA H 26 5.002 5.118 -0.116 1
1 223 . 20 1 1 A 26 26 VAL C C 26 174.304 173.569 0.735 1
1 224 . 20 1 1 A 26 26 VAL CA C 26 58.917 59.196 -0.279 1
1 225 . 20 1 1 A 26 26 VAL CB C 26 35.753 35.818 -0.065 1
1 228 . 20 1 1 A 26 26 VAL N N 26 118.076 119.717 -1.641 1
1 229 . 20 1 1 A 27 27 TRP H H 27 8.880 8.719 0.161 1
1 230 . 20 1 1 A 27 27 TRP HA H 27 4.814 5.460 -0.646 1
1 239 . 20 1 1 A 27 27 TRP C C 27 174.255 174.519 -0.264 1
1 240 . 20 1 1 A 27 27 TRP CA C 27 57.117 55.223 1.894 1
1 241 . 20 1 1 A 27 27 TRP CB C 27 30.325 32.503 -2.178 1
1 247 . 20 1 1 A 27 27 TRP N N 27 122.873 125.726 -2.853 1
1 249 . 20 1 1 A 28 28 ALA H H 28 8.482 8.286 0.196 1
1 250 . 20 1 1 A 28 28 ALA HA H 28 5.329 5.406 -0.077 1
1 254 . 20 1 1 A 28 28 ALA C C 28 175.519 175.890 -0.371 1
1 255 . 20 1 1 A 28 28 ALA CA C 28 49.670 50.169 -0.499 1
1 256 . 20 1 1 A 28 28 ALA CB C 28 23.827 22.188 1.639 1
1 257 . 20 1 1 A 28 28 ALA N N 28 133.586 129.672 3.914 1
1 258 . 20 1 1 A 29 29 ALA H H 29 8.948 8.674 0.274 1
1 259 . 20 1 1 A 29 29 ALA HA H 29 5.160 5.357 -0.197 1
1 263 . 20 1 1 A 29 29 ALA C C 29 175.956 175.935 0.021 1
1 264 . 20 1 1 A 29 29 ALA CA C 29 52.210 51.980 0.230 1
1 265 . 20 1 1 A 29 29 ALA CB C 29 23.697 23.116 0.581 1
1 266 . 20 1 1 A 29 29 ALA N N 29 119.901 122.683 -2.782 1
1 267 . 20 1 1 A 30 30 ILE H H 30 8.245 8.826 -0.581 1
1 268 . 20 1 1 A 30 30 ILE HA H 30 5.313 4.642 0.671 1
1 278 . 20 1 1 A 30 30 ILE C C 30 174.004 174.656 -0.652 1
1 279 . 20 1 1 A 30 30 ILE CA C 30 57.699 57.751 -0.052 1
1 280 . 20 1 1 A 30 30 ILE CB C 30 40.565 38.657 1.908 1
1 284 . 20 1 1 A 30 30 ILE N N 30 122.332 121.506 0.826 1
1 285 . 20 1 1 A 31 31 PRO HA H 31 4.655 4.661 -0.006 1
1 292 . 20 1 1 A 31 31 PRO C C 31 177.566 177.964 -0.398 1
1 293 . 20 1 1 A 31 31 PRO CA C 31 62.464 62.578 -0.114 1
1 294 . 20 1 1 A 31 31 PRO CB C 31 31.929 31.554 0.375 1
1 297 . 20 1 1 A 32 32 MET H H 32 8.572 8.636 -0.064 1
1 298 . 20 1 1 A 32 32 MET HA H 32 3.997 4.120 -0.123 1
1 306 . 20 1 1 A 32 32 MET C C 32 177.770 177.976 -0.206 1
1 307 . 20 1 1 A 32 32 MET CA C 32 58.158 58.845 -0.687 1
1 308 . 20 1 1 A 32 32 MET CB C 32 31.929 32.023 -0.094 1
1 311 . 20 1 1 A 32 32 MET N N 32 121.580 124.384 -2.804 1
1 312 . 20 1 1 A 33 33 SER H H 33 8.163 8.156 0.007 1
1 313 . 20 1 1 A 33 33 SER HA H 33 4.213 4.198 0.015 1
1 316 . 20 1 1 A 33 33 SER C C 33 174.424 173.928 0.496 1
1 317 . 20 1 1 A 33 33 SER CA C 33 58.864 61.133 -2.269 1
1 318 . 20 1 1 A 33 33 SER CB C 33 63.225 63.288 -0.063 1
1 319 . 20 1 1 A 33 33 SER N N 33 109.218 113.971 -4.753 1
1 320 . 20 1 1 A 34 34 ASP H H 34 7.179 7.848 -0.669 1
1 321 . 20 1 1 A 34 34 ASP HA H 34 4.912 5.105 -0.193 1
1 324 . 20 1 1 A 34 34 ASP C C 34 171.847 174.199 -2.352 1
1 325 . 20 1 1 A 34 34 ASP CA C 34 52.581 51.454 1.127 1
1 326 . 20 1 1 A 34 34 ASP CB C 34 41.223 41.385 -0.162 1
1 327 . 20 1 1 A 34 34 ASP N N 34 120.601 118.355 2.246 1
1 328 . 20 1 1 A 35 35 PRO HA H 35 4.510 4.586 -0.076 1
1 335 . 20 1 1 A 35 35 PRO C C 35 175.635 176.145 -0.510 1
1 336 . 20 1 1 A 35 35 PRO CA C 35 64.511 63.994 0.517 1
1 337 . 20 1 1 A 35 35 PRO CB C 35 31.729 32.325 -0.596 1
1 340 . 20 1 1 A 36 36 GLN H H 36 7.982 8.289 -0.307 1
1 341 . 20 1 1 A 36 36 GLN HA H 36 4.472 4.479 -0.007 1
1 348 . 20 1 1 A 36 36 GLN C C 36 174.646 174.674 -0.028 1
1 349 . 20 1 1 A 36 36 GLN CA C 36 55.193 55.897 -0.704 1
1 350 . 20 1 1 A 36 36 GLN CB C 36 29.420 29.613 -0.193 1
1 352 . 20 1 1 A 36 36 GLN N N 36 114.393 117.590 -3.197 1
1 354 . 20 1 1 A 37 37 VAL H H 37 7.878 7.610 0.268 1
1 355 . 20 1 1 A 37 37 VAL HA H 37 4.546 4.841 -0.295 1
1 363 . 20 1 1 A 37 37 VAL C C 37 172.485 172.917 -0.432 1
1 364 . 20 1 1 A 37 37 VAL CA C 37 60.987 60.483 0.504 1
1 365 . 20 1 1 A 37 37 VAL CB C 37 35.218 35.041 0.177 1
1 368 . 20 1 1 A 37 37 VAL N N 37 120.432 119.956 0.476 1
1 369 . 20 1 1 A 38 38 LEU H H 38 7.992 8.937 -0.945 1
1 370 . 20 1 1 A 38 38 LEU HA H 38 4.770 5.153 -0.383 1
1 380 . 20 1 1 A 38 38 LEU C C 38 175.193 175.220 -0.027 1
1 381 . 20 1 1 A 38 38 LEU CA C 38 53.146 53.352 -0.206 1
1 382 . 20 1 1 A 38 38 LEU CB C 38 45.359 44.152 1.207 1
1 386 . 20 1 1 A 38 38 LEU N N 38 123.585 130.345 -6.760 1
1 387 . 20 1 1 A 39 39 HIS H H 39 9.442 8.734 0.708 1
1 388 . 20 1 1 A 39 39 HIS HA H 39 5.212 5.163 0.049 1
1 393 . 20 1 1 A 39 39 HIS C C 39 175.351 175.610 -0.259 1
1 394 . 20 1 1 A 39 39 HIS CA C 39 55.211 56.456 -1.245 1
1 395 . 20 1 1 A 39 39 HIS CB C 39 32.669 30.822 1.847 1
1 398 . 20 1 1 A 39 39 HIS N N 39 126.949 126.209 0.740 1
1 399 . 20 1 1 A 40 40 LEU H H 40 8.424 8.390 0.034 1
1 400 . 20 1 1 A 40 40 LEU HA H 40 5.082 5.154 -0.072 1
1 410 . 20 1 1 A 40 40 LEU C C 40 176.050 175.582 0.468 1
1 411 . 20 1 1 A 40 40 LEU CA C 40 53.552 53.668 -0.116 1
1 412 . 20 1 1 A 40 40 LEU CB C 40 44.019 45.586 -1.567 1
1 416 . 20 1 1 A 40 40 LEU N N 40 122.395 121.840 0.555 1
1 417 . 20 1 1 A 41 41 GLN H H 41 8.972 8.550 0.422 1
1 418 . 20 1 1 A 41 41 GLN HA H 41 4.723 5.280 -0.557 1
1 425 . 20 1 1 A 41 41 GLN C C 41 175.453 175.127 0.326 1
1 426 . 20 1 1 A 41 41 GLN CA C 41 54.840 54.074 0.766 1
1 427 . 20 1 1 A 41 41 GLN CB C 41 31.946 32.535 -0.589 1
1 429 . 20 1 1 A 41 41 GLN N N 41 121.779 120.314 1.465 1
1 431 . 20 1 1 A 42 42 GLY H H 42 8.739 8.279 0.460 1
1 432 . 20 1 1 A 42 42 GLY HA2 H 42 4.252 4.135 0.117 1
1 433 . 20 1 1 A 42 42 GLY HA3 H 42 4.200 4.159 0.041 1
1 434 . 20 1 1 A 42 42 GLY C C 42 173.938 174.976 -1.038 1
1 435 . 20 1 1 A 42 42 GLY CA C 42 44.746 45.925 -1.179 1
1 436 . 20 1 1 A 42 42 GLY N N 42 112.892 109.532 3.360 1
1 437 . 20 1 1 A 43 43 GLY H H 43 8.709 7.788 0.921 1
1 438 . 20 1 1 A 43 43 GLY HA2 H 43 4.110 4.042 0.068 1
1 439 . 20 1 1 A 43 43 GLY HA3 H 43 3.962 4.045 -0.083 1
1 440 . 20 1 1 A 43 43 GLY C C 43 174.713 174.834 -0.121 1
1 441 . 20 1 1 A 43 43 GLY CA C 43 45.346 45.202 0.144 1
1 442 . 20 1 1 A 43 43 GLY N N 43 108.768 106.880 1.888 1
1 443 . 20 1 1 A 44 44 SER H H 44 8.369 8.495 -0.126 1
1 444 . 20 1 1 A 44 44 SER C C 44 175.312 174.054 1.258 1
1 445 . 20 1 1 A 44 44 SER CA C 44 58.723 58.989 -0.266 1
1 446 . 20 1 1 A 44 44 SER CB C 44 63.924 61.898 2.026 1
1 447 . 20 1 1 A 44 44 SER N N 44 115.582 109.573 6.009 1
1 448 . 20 1 1 A 45 45 GLN HA H 45 4.346 4.412 -0.066 1
1 455 . 20 1 1 A 45 45 GLN C C 45 175.931 176.081 -0.150 1
1 456 . 20 1 1 A 45 45 GLN CA C 45 56.358 56.299 0.059 1
1 457 . 20 1 1 A 45 45 GLN CB C 45 28.392 29.327 -0.935 1
1 460 . 20 1 1 A 46 46 ASP H H 46 8.053 8.035 0.018 1
1 461 . 20 1 1 A 46 46 ASP HA H 46 4.615 4.878 -0.263 1
1 464 . 20 1 1 A 46 46 ASP C C 46 176.998 176.519 0.479 1
1 465 . 20 1 1 A 46 46 ASP CA C 46 54.188 55.669 -1.481 1
1 466 . 20 1 1 A 46 46 ASP CB C 46 41.099 43.422 -2.323 1
1 467 . 20 1 1 A 46 46 ASP N N 46 119.460 119.470 -0.010 1
1 468 . 20 1 1 A 47 47 GLY H H 47 8.311 7.988 0.323 1
1 469 . 20 1 1 A 47 47 GLY HA2 H 47 3.970 3.977 -0.007 1
1 470 . 20 1 1 A 47 47 GLY HA3 H 47 3.970 3.986 -0.016 1
1 471 . 20 1 1 A 47 47 GLY C C 47 174.725 176.030 -1.305 1
1 472 . 20 1 1 A 47 47 GLY CA C 47 45.892 45.738 0.154 1
1 473 . 20 1 1 A 47 47 GLY N N 47 109.753 107.812 1.941 1
1 474 . 20 1 1 A 48 48 ARG H H 48 8.300 8.398 -0.098 1
1 475 . 20 1 1 A 48 48 ARG HA H 48 4.308 4.102 0.206 1
1 482 . 20 1 1 A 48 48 ARG C C 48 176.347 177.178 -0.831 1
1 483 . 20 1 1 A 48 48 ARG CA C 48 56.782 59.011 -2.229 1
1 484 . 20 1 1 A 48 48 ARG CB C 48 30.654 30.074 0.580 1
1 487 . 20 1 1 A 48 48 ARG N N 48 119.526 120.391 -0.865 1
1 488 . 20 1 1 A 49 49 LEU H H 49 7.682 7.624 0.058 1
1 489 . 20 1 1 A 49 49 LEU HA H 49 4.252 3.980 0.272 1
1 499 . 20 1 1 A 49 49 LEU C C 49 174.707 174.845 -0.138 1
1 500 . 20 1 1 A 49 49 LEU CA C 49 53.040 53.670 -0.630 1
1 501 . 20 1 1 A 49 49 LEU CB C 49 41.759 41.339 0.420 1
1 505 . 20 1 1 A 49 49 LEU N N 49 121.049 120.915 0.134 1
1 506 . 20 1 1 A 50 50 PRO HA H 50 4.392 4.725 -0.333 1
1 513 . 20 1 1 A 50 50 PRO C C 50 175.058 177.737 -2.679 1
1 514 . 20 1 1 A 50 50 PRO CA C 50 62.323 62.419 -0.096 1
1 515 . 20 1 1 A 50 50 PRO CB C 50 31.353 31.607 -0.254 1
1 518 . 20 1 1 A 51 51 ARG H H 51 8.295 8.914 -0.619 1
1 519 . 20 1 1 A 51 51 ARG HA H 51 4.511 3.982 0.529 1
1 526 . 20 1 1 A 51 51 ARG C C 51 177.443 176.278 1.165 1
1 527 . 20 1 1 A 51 51 ARG CA C 51 56.728 59.222 -2.494 1
1 528 . 20 1 1 A 51 51 ARG CB C 51 31.194 30.729 0.465 1
1 531 . 20 1 1 A 51 51 ARG N N 51 119.201 121.934 -2.733 1
1 532 . 20 1 1 A 52 52 THR H H 52 7.372 7.802 -0.430 1
1 533 . 20 1 1 A 52 52 THR HA H 52 4.963 4.662 0.301 1
1 538 . 20 1 1 A 52 52 THR C C 52 173.287 173.103 0.184 1
1 539 . 20 1 1 A 52 52 THR CA C 52 59.411 60.744 -1.333 1
1 540 . 20 1 1 A 52 52 THR CB C 52 71.632 70.648 0.984 1
1 542 . 20 1 1 A 52 52 THR N N 52 109.591 109.271 0.320 1
1 543 . 20 1 1 A 53 53 ILE H H 53 8.742 8.819 -0.077 1
1 544 . 20 1 1 A 53 53 ILE HA H 53 3.845 4.761 -0.916 1
1 554 . 20 1 1 A 53 53 ILE C C 53 173.374 175.188 -1.814 1
1 555 . 20 1 1 A 53 53 ILE CA C 53 57.735 57.882 -0.147 1
1 556 . 20 1 1 A 53 53 ILE CB C 53 41.196 38.554 2.642 1
1 560 . 20 1 1 A 53 53 ILE N N 53 123.236 127.114 -3.878 1
1 561 . 20 1 1 A 54 54 PRO HA H 54 4.541 4.680 -0.139 1
1 568 . 20 1 1 A 54 54 PRO CA C 54 61.292 62.224 -0.932 1
1 569 . 20 1 1 A 54 54 PRO CB C 54 30.119 30.011 0.108 1
1 572 . 20 1 1 A 55 55 LEU H H 55 8.146 8.023 0.123 1
1 573 . 20 1 1 A 55 55 LEU HA H 55 4.262 3.808 0.454 1
1 583 . 20 1 1 A 55 55 LEU CA C 55 58.660 59.290 -0.630 1
1 584 . 20 1 1 A 55 55 LEU CB C 55 39.660 39.724 -0.064 1
1 588 . 20 1 1 A 55 55 LEU N N 55 127.224 124.190 3.034 1
1 589 . 20 1 1 A 56 56 PRO HA H 56 4.630 4.744 -0.114 1
1 596 . 20 1 1 A 56 56 PRO C C 56 177.498 177.346 0.152 1
1 597 . 20 1 1 A 56 56 PRO CA C 56 65.782 65.814 -0.032 1
1 598 . 20 1 1 A 56 56 PRO CB C 56 31.188 31.061 0.127 1
1 601 . 20 1 1 A 57 57 SER H H 57 7.722 8.296 -0.574 1
1 602 . 20 1 1 A 57 57 SER HA H 57 4.723 4.800 -0.077 1
1 605 . 20 1 1 A 57 57 SER C C 57 174.102 173.078 1.024 1
1 606 . 20 1 1 A 57 57 SER CA C 57 58.423 57.240 1.183 1
1 607 . 20 1 1 A 57 57 SER CB C 57 63.924 64.147 -0.223 1
1 608 . 20 1 1 A 57 57 SER N N 57 110.169 111.620 -1.451 1
1 609 . 20 1 1 A 58 58 CYS H H 58 8.002 7.669 0.333 1
1 610 . 20 1 1 A 58 58 CYS HA H 58 5.282 5.172 0.110 1
1 613 . 20 1 1 A 58 58 CYS C C 58 174.525 173.144 1.381 1
1 614 . 20 1 1 A 58 58 CYS CA C 58 59.447 57.754 1.693 1
1 615 . 20 1 1 A 58 58 CYS CB C 58 29.594 31.850 -2.256 1
1 616 . 20 1 1 A 58 58 CYS N N 58 118.902 121.372 -2.470 1
1 617 . 20 1 1 A 59 59 LYS H H 59 9.242 8.769 0.473 1
1 618 . 20 1 1 A 59 59 LYS HA H 59 4.777 4.860 -0.083 1
1 627 . 20 1 1 A 59 59 LYS C C 59 175.947 175.267 0.680 1
1 628 . 20 1 1 A 59 59 LYS CA C 59 55.299 55.131 0.168 1
1 629 . 20 1 1 A 59 59 LYS CB C 59 34.561 33.910 0.651 1
1 633 . 20 1 1 A 59 59 LYS N N 59 122.306 123.983 -1.677 1
1 634 . 20 1 1 A 60 60 LEU H H 60 9.030 9.061 -0.031 1
1 635 . 20 1 1 A 60 60 LEU HA H 60 5.543 4.977 0.566 1
1 645 . 20 1 1 A 60 60 LEU C C 60 176.239 175.676 0.563 1
1 646 . 20 1 1 A 60 60 LEU CA C 60 53.958 53.836 0.122 1
1 647 . 20 1 1 A 60 60 LEU CB C 60 44.454 41.802 2.652 1
1 651 . 20 1 1 A 60 60 LEU N N 60 129.520 126.478 3.042 1
1 652 . 20 1 1 A 61 61 SER H H 61 9.077 9.159 -0.082 1
1 653 . 20 1 1 A 61 61 SER HA H 61 4.832 5.405 -0.573 1
1 656 . 20 1 1 A 61 61 SER C C 61 172.173 172.762 -0.589 1
1 657 . 20 1 1 A 61 61 SER CA C 61 57.558 56.112 1.446 1
1 658 . 20 1 1 A 61 61 SER CB C 61 65.692 66.995 -1.303 1
1 659 . 20 1 1 A 61 61 SER N N 61 117.374 119.738 -2.364 1
1 660 . 20 1 1 A 62 62 VAL H H 62 8.784 9.096 -0.312 1
1 661 . 20 1 1 A 62 62 VAL HA H 62 4.927 4.691 0.236 1
1 669 . 20 1 1 A 62 62 VAL C C 62 174.367 174.292 0.075 1
1 670 . 20 1 1 A 62 62 VAL CA C 62 59.782 58.857 0.925 1
1 671 . 20 1 1 A 62 62 VAL CB C 62 33.518 35.598 -2.080 1
1 674 . 20 1 1 A 62 62 VAL N N 62 119.929 122.776 -2.847 1
1 675 . 20 1 1 A 63 63 PRO HA H 63 4.495 4.703 -0.208 1
1 682 . 20 1 1 A 63 63 PRO CA C 63 62.526 62.381 0.145 1
1 683 . 20 1 1 A 63 63 PRO CB C 63 32.504 32.873 -0.369 1
1 686 . 20 1 1 A 64 64 ASP H H 64 8.762 8.540 0.222 1
1 687 . 20 1 1 A 64 64 ASP HA H 64 4.780 5.171 -0.391 1
1 690 . 20 1 1 A 64 64 ASP CA C 64 53.231 51.141 2.090 1
1 691 . 20 1 1 A 64 64 ASP CB C 64 41.105 41.747 -0.642 1
1 692 . 20 1 1 A 64 64 ASP N N 64 123.527 120.641 2.886 1
1 693 . 20 1 1 A 65 65 PRO HA H 65 4.371 4.314 0.057 1
1 700 . 20 1 1 A 65 65 PRO C C 65 178.309 178.643 -0.334 1
1 701 . 20 1 1 A 65 65 PRO CA C 65 64.829 65.610 -0.781 1
1 702 . 20 1 1 A 65 65 PRO CB C 65 32.136 31.833 0.303 1
1 705 . 20 1 1 A 66 66 GLU H H 66 8.890 8.439 0.451 1
1 706 . 20 1 1 A 66 66 GLU HA H 66 4.129 4.050 0.079 1
1 711 . 20 1 1 A 66 66 GLU C C 66 177.222 177.631 -0.409 1
1 712 . 20 1 1 A 66 66 GLU CA C 66 57.805 60.032 -2.227 1
1 713 . 20 1 1 A 66 66 GLU CB C 66 29.334 29.087 0.247 1
1 715 . 20 1 1 A 66 66 GLU N N 66 117.225 117.580 -0.355 1
1 716 . 20 1 1 A 67 67 GLU H H 67 7.971 7.880 0.091 1
1 717 . 20 1 1 A 67 67 GLU HA H 67 4.136 4.416 -0.280 1
1 722 . 20 1 1 A 67 67 GLU C C 67 176.058 175.514 0.544 1
1 723 . 20 1 1 A 67 67 GLU CA C 67 57.328 56.844 0.484 1
1 724 . 20 1 1 A 67 67 GLU CB C 67 29.594 30.957 -1.363 1
1 726 . 20 1 1 A 67 67 GLU N N 67 119.516 119.073 0.443 1
1 727 . 20 1 1 A 68 68 ARG H H 68 8.020 8.654 -0.634 1
1 728 . 20 1 1 A 68 68 ARG HA H 68 4.043 4.753 -0.710 1
1 735 . 20 1 1 A 68 68 ARG C C 68 175.591 175.087 0.504 1
1 736 . 20 1 1 A 68 68 ARG CA C 68 56.075 54.716 1.359 1
1 737 . 20 1 1 A 68 68 ARG CB C 68 28.927 30.951 -2.024 1
1 740 . 20 1 1 A 68 68 ARG N N 68 118.917 120.428 -1.511 1
1 741 . 20 1 1 A 69 69 LEU H H 69 8.188 8.499 -0.311 1
1 742 . 20 1 1 A 69 69 LEU HA H 69 4.372 4.961 -0.589 1
1 752 . 20 1 1 A 69 69 LEU C C 69 176.013 177.709 -1.696 1
1 753 . 20 1 1 A 69 69 LEU CA C 69 54.682 53.355 1.327 1
1 754 . 20 1 1 A 69 69 LEU CB C 69 43.238 43.451 -0.213 1
1 758 . 20 1 1 A 69 69 LEU N N 69 122.935 125.410 -2.475 1
1 759 . 20 1 1 A 70 70 ASP H H 70 8.382 8.691 -0.309 1
1 760 . 20 1 1 A 70 70 ASP HA H 70 4.123 4.510 -0.387 1
1 763 . 20 1 1 A 70 70 ASP C C 70 175.200 175.585 -0.385 1
1 764 . 20 1 1 A 70 70 ASP CA C 70 54.558 55.542 -0.984 1
1 765 . 20 1 1 A 70 70 ASP CB C 70 40.634 41.552 -0.918 1
1 766 . 20 1 1 A 70 70 ASP N N 70 119.400 121.777 -2.377 1
1 767 . 20 1 1 A 71 71 SER H H 71 7.391 7.475 -0.084 1
1 768 . 20 1 1 A 71 71 SER HA H 71 4.233 4.471 -0.238 1
1 771 . 20 1 1 A 71 71 SER C C 71 174.294 174.545 -0.251 1
1 772 . 20 1 1 A 71 71 SER CA C 71 58.017 57.294 0.723 1
1 773 . 20 1 1 A 71 71 SER CB C 71 63.430 65.390 -1.960 1
1 774 . 20 1 1 A 71 71 SER N N 71 114.807 112.830 1.977 1
1 775 . 20 1 1 A 72 72 GLY H H 72 7.981 8.364 -0.383 1
1 776 . 20 1 1 A 72 72 GLY HA2 H 72 3.702 3.596 0.106 1
1 777 . 20 1 1 A 72 72 GLY HA3 H 72 3.610 3.710 -0.100 1
1 778 . 20 1 1 A 72 72 GLY C C 72 172.912 173.869 -0.957 1
1 779 . 20 1 1 A 72 72 GLY CA C 72 44.675 46.377 -1.702 1
1 780 . 20 1 1 A 72 72 GLY N N 72 108.675 111.745 -3.070 1
1 781 . 20 1 1 A 73 73 HIS H H 73 8.462 7.981 0.481 1
1 782 . 20 1 1 A 73 73 HIS HA H 73 4.859 5.182 -0.323 1
1 787 . 20 1 1 A 73 73 HIS C C 73 174.804 174.098 0.706 1
1 788 . 20 1 1 A 73 73 HIS CA C 73 54.700 54.611 0.089 1
1 789 . 20 1 1 A 73 73 HIS CB C 73 28.762 30.361 -1.599 1
1 792 . 20 1 1 A 73 73 HIS N N 73 122.843 117.711 5.132 1
1 793 . 20 1 1 A 74 74 VAL H H 74 7.682 8.796 -1.114 1
1 794 . 20 1 1 A 74 74 VAL HA H 74 5.402 4.615 0.787 1
1 802 . 20 1 1 A 74 74 VAL C C 74 176.121 173.712 2.409 1
1 803 . 20 1 1 A 74 74 VAL CA C 74 61.246 60.266 0.980 1
1 804 . 20 1 1 A 74 74 VAL CB C 74 35.383 35.572 -0.189 1
1 807 . 20 1 1 A 74 74 VAL N N 74 120.824 121.793 -0.969 1
1 808 . 20 1 1 A 75 75 TRP H H 75 9.581 8.097 1.484 1
1 809 . 20 1 1 A 75 75 TRP HA H 75 5.342 5.931 -0.589 1
1 818 . 20 1 1 A 75 75 TRP C C 75 171.123 173.621 -2.498 1
1 819 . 20 1 1 A 75 75 TRP CA C 75 57.046 54.455 2.591 1
1 820 . 20 1 1 A 75 75 TRP CB C 75 32.834 33.255 -0.421 1
1 826 . 20 1 1 A 75 75 TRP N N 75 124.656 125.129 -0.473 1
1 828 . 20 1 1 A 76 76 LYS H H 76 9.557 9.332 0.225 1
1 829 . 20 1 1 A 76 76 LYS HA H 76 5.192 4.565 0.627 1
1 838 . 20 1 1 A 76 76 LYS C C 76 174.801 174.675 0.126 1
1 839 . 20 1 1 A 76 76 LYS CA C 76 54.876 54.434 0.442 1
1 840 . 20 1 1 A 76 76 LYS CB C 76 36.740 35.175 1.565 1
1 844 . 20 1 1 A 76 76 LYS N N 76 121.724 121.091 0.633 1
1 845 . 20 1 1 A 77 77 LEU H H 77 8.957 8.839 0.118 1
1 846 . 20 1 1 A 77 77 LEU HA H 77 5.272 5.368 -0.096 1
1 856 . 20 1 1 A 77 77 LEU C C 77 174.927 175.679 -0.752 1
1 857 . 20 1 1 A 77 77 LEU CA C 77 54.046 53.527 0.519 1
1 858 . 20 1 1 A 77 77 LEU CB C 77 46.281 44.958 1.323 1
1 862 . 20 1 1 A 77 77 LEU N N 77 124.578 126.555 -1.977 1
1 863 . 20 1 1 A 78 78 GLN H H 78 8.629 8.504 0.125 1
1 864 . 20 1 1 A 78 78 GLN HA H 78 5.308 5.590 -0.282 1
1 871 . 20 1 1 A 78 78 GLN C C 78 174.564 174.643 -0.079 1
1 872 . 20 1 1 A 78 78 GLN CA C 78 54.452 55.045 -0.593 1
1 873 . 20 1 1 A 78 78 GLN CB C 78 32.833 31.317 1.516 1
1 875 . 20 1 1 A 78 78 GLN N N 78 121.344 123.684 -2.340 1
1 877 . 20 1 1 A 79 79 TRP H H 79 8.601 8.329 0.272 1
1 878 . 20 1 1 A 79 79 TRP HA H 79 5.003 4.983 0.020 1
1 887 . 20 1 1 A 79 79 TRP C C 79 173.001 174.063 -1.062 1
1 888 . 20 1 1 A 79 79 TRP CA C 79 56.323 56.767 -0.444 1
1 889 . 20 1 1 A 79 79 TRP CB C 79 32.258 31.503 0.755 1
1 895 . 20 1 1 A 79 79 TRP N N 79 128.274 123.821 4.453 1
1 897 . 20 1 1 A 80 80 ALA H H 80 9.181 9.228 -0.047 1
1 898 . 20 1 1 A 80 80 ALA HA H 80 3.933 3.835 0.098 1
1 902 . 20 1 1 A 80 80 ALA C C 80 177.360 176.216 1.144 1
1 903 . 20 1 1 A 80 80 ALA CA C 80 54.222 53.109 1.113 1
1 904 . 20 1 1 A 80 80 ALA CB C 80 17.329 16.925 0.404 1
1 905 . 20 1 1 A 80 80 ALA N N 80 126.348 121.517 4.831 1
1 906 . 20 1 1 A 81 81 LYS H H 81 8.163 8.380 -0.217 1
1 907 . 20 1 1 A 81 81 LYS HA H 81 4.290 3.706 0.584 1
1 916 . 20 1 1 A 81 81 LYS C C 81 176.068 174.443 1.625 1
1 917 . 20 1 1 A 81 81 LYS CA C 81 56.305 57.447 -1.142 1
1 918 . 20 1 1 A 81 81 LYS CB C 81 31.312 29.599 1.713 1
1 922 . 20 1 1 A 81 81 LYS N N 81 120.289 107.355 12.934 1
1 923 . 20 1 1 A 82 82 GLN H H 82 8.423 7.462 0.961 1
1 924 . 20 1 1 A 82 82 GLN HA H 82 4.255 4.770 -0.515 1
1 931 . 20 1 1 A 82 82 GLN C C 82 174.996 173.987 1.009 1
1 932 . 20 1 1 A 82 82 GLN CA C 82 54.805 53.919 0.886 1
1 933 . 20 1 1 A 82 82 GLN CB C 82 30.942 32.248 -1.306 1
1 935 . 20 1 1 A 82 82 GLN N N 82 119.918 116.824 3.094 1
1 937 . 20 1 1 A 83 83 SER H H 83 7.683 8.274 -0.591 1
1 938 . 20 1 1 A 83 83 SER HA H 83 4.991 5.640 -0.649 1
1 941 . 20 1 1 A 83 83 SER C C 83 171.947 172.550 -0.603 1
1 942 . 20 1 1 A 83 83 SER CA C 83 57.629 57.367 0.262 1
1 943 . 20 1 1 A 83 83 SER CB C 83 64.664 65.357 -0.693 1
1 944 . 20 1 1 A 83 83 SER N N 83 115.649 112.786 2.863 1
1 945 . 20 1 1 A 84 84 TRP H H 84 8.665 8.869 -0.204 1
1 946 . 20 1 1 A 84 84 TRP HA H 84 4.714 5.146 -0.432 1
1 955 . 20 1 1 A 84 84 TRP C C 84 174.105 174.683 -0.578 1
1 956 . 20 1 1 A 84 84 TRP CA C 84 56.834 56.008 0.826 1
1 957 . 20 1 1 A 84 84 TRP CB C 84 33.368 33.652 -0.284 1
1 963 . 20 1 1 A 84 84 TRP N N 84 122.334 124.765 -2.431 1
1 965 . 20 1 1 A 85 85 TYR H H 85 9.220 8.905 0.315 1
1 966 . 20 1 1 A 85 85 TYR HA H 85 5.209 5.367 -0.158 1
1 973 . 20 1 1 A 85 85 TYR C C 85 175.136 175.311 -0.175 1
1 974 . 20 1 1 A 85 85 TYR CA C 85 56.993 56.227 0.766 1
1 975 . 20 1 1 A 85 85 TYR CB C 85 41.058 41.364 -0.306 1
1 980 . 20 1 1 A 85 85 TYR N N 85 117.934 120.184 -2.250 1
1 981 . 20 1 1 A 86 86 LEU H H 86 8.662 8.294 0.368 1
1 982 . 20 1 1 A 86 86 LEU HA H 86 5.172 4.724 0.448 1
1 992 . 20 1 1 A 86 86 LEU C C 86 174.454 175.009 -0.555 1
1 993 . 20 1 1 A 86 86 LEU CA C 86 53.587 53.769 -0.182 1
1 994 . 20 1 1 A 86 86 LEU CB C 86 43.773 43.207 0.566 1
1 998 . 20 1 1 A 86 86 LEU N N 86 121.945 122.985 -1.040 1
1 999 . 20 1 1 A 87 87 SER H H 87 8.642 8.652 -0.010 1
1 1000 . 20 1 1 A 87 87 SER HA H 87 4.995 4.698 0.297 1
1 1003 . 20 1 1 A 87 87 SER C C 87 173.683 173.388 0.295 1
1 1004 . 20 1 1 A 87 87 SER CA C 87 55.052 57.959 -2.907 1
1 1005 . 20 1 1 A 87 87 SER CB C 87 65.487 64.164 1.323 1
1 1006 . 20 1 1 A 87 87 SER N N 87 111.719 121.641 -9.922 1
1 1007 . 20 1 1 A 88 88 ALA H H 88 8.472 8.789 -0.317 1
1 1008 . 20 1 1 A 88 88 ALA HA H 88 5.184 4.801 0.383 1
1 1012 . 20 1 1 A 88 88 ALA C C 88 178.012 178.181 -0.169 1
1 1013 . 20 1 1 A 88 88 ALA CA C 88 49.423 50.104 -0.681 1
1 1014 . 20 1 1 A 88 88 ALA CB C 88 22.919 22.397 0.522 1
1 1015 . 20 1 1 A 88 88 ALA N N 88 126.939 126.435 0.504 1
1 1016 . 20 1 1 A 89 89 SER H H 89 8.182 8.851 -0.669 1
1 1017 . 20 1 1 A 89 89 SER HA H 89 4.274 4.272 0.002 1
1 1020 . 20 1 1 A 89 89 SER C C 89 174.039 174.120 -0.081 1
1 1021 . 20 1 1 A 89 89 SER CA C 89 60.135 61.064 -0.929 1
1 1022 . 20 1 1 A 89 89 SER CB C 89 63.571 63.277 0.294 1
1 1023 . 20 1 1 A 89 89 SER N N 89 111.359 116.698 -5.339 1
1 1024 . 20 1 1 A 90 90 SER H H 90 7.392 7.829 -0.437 1
1 1025 . 20 1 1 A 90 90 SER HA H 90 4.383 4.311 0.072 1
1 1028 . 20 1 1 A 90 90 SER C C 90 173.114 173.897 -0.783 1
1 1029 . 20 1 1 A 90 90 SER CA C 90 56.023 56.966 -0.943 1
1 1030 . 20 1 1 A 90 90 SER CB C 90 67.108 65.043 2.065 1
1 1031 . 20 1 1 A 90 90 SER N N 90 113.112 109.930 3.182 1
1 1032 . 20 1 1 A 91 91 ALA H H 91 8.532 7.986 0.546 1
1 1033 . 20 1 1 A 91 91 ALA HA H 91 3.763 3.914 -0.151 1
1 1037 . 20 1 1 A 91 91 ALA C C 91 179.816 179.474 0.342 1
1 1038 . 20 1 1 A 91 91 ALA CA C 91 54.699 55.295 -0.596 1
1 1039 . 20 1 1 A 91 91 ALA CB C 91 18.111 18.127 -0.016 1
1 1040 . 20 1 1 A 91 91 ALA N N 91 123.767 123.247 0.520 1
1 1041 . 20 1 1 A 92 92 GLU H H 92 8.766 8.078 0.688 1
1 1042 . 20 1 1 A 92 92 GLU HA H 92 3.942 3.993 -0.051 1
1 1047 . 20 1 1 A 92 92 GLU C C 92 179.568 178.337 1.231 1
1 1048 . 20 1 1 A 92 92 GLU CA C 92 60.206 59.497 0.709 1
1 1049 . 20 1 1 A 92 92 GLU CB C 92 28.721 29.473 -0.752 1
1 1051 . 20 1 1 A 92 92 GLU N N 92 118.712 118.462 0.250 1
1 1052 . 20 1 1 A 93 93 LEU H H 93 7.852 7.649 0.203 1
1 1053 . 20 1 1 A 93 93 LEU HA H 93 4.274 4.167 0.107 1
1 1063 . 20 1 1 A 93 93 LEU C C 93 178.805 178.551 0.254 1
1 1064 . 20 1 1 A 93 93 LEU CA C 93 57.382 56.833 0.549 1
1 1065 . 20 1 1 A 93 93 LEU CB C 93 43.115 41.678 1.437 1
1 1069 . 20 1 1 A 93 93 LEU N N 93 121.212 120.632 0.580 1
1 1070 . 20 1 1 A 94 94 GLN H H 94 8.080 8.483 -0.403 1
1 1071 . 20 1 1 A 94 94 GLN HA H 94 3.843 4.335 -0.492 1
1 1078 . 20 1 1 A 94 94 GLN C C 94 176.960 178.012 -1.052 1
1 1079 . 20 1 1 A 94 94 GLN CA C 94 59.694 58.990 0.704 1
1 1080 . 20 1 1 A 94 94 GLN CB C 94 28.063 28.544 -0.481 1
1 1082 . 20 1 1 A 94 94 GLN N N 94 120.439 119.035 1.404 1
1 1084 . 20 1 1 A 95 95 GLN H H 95 8.293 8.448 -0.155 1
1 1085 . 20 1 1 A 95 95 GLN HA H 95 3.779 4.049 -0.270 1
1 1092 . 20 1 1 A 95 95 GLN C C 95 177.938 177.914 0.024 1
1 1093 . 20 1 1 A 95 95 GLN CA C 95 59.005 58.816 0.189 1
1 1094 . 20 1 1 A 95 95 GLN CB C 95 27.610 28.358 -0.748 1
1 1096 . 20 1 1 A 95 95 GLN N N 95 117.408 117.109 0.299 1
1 1098 . 20 1 1 A 96 96 GLN H H 96 7.731 7.735 -0.004 1
1 1099 . 20 1 1 A 96 96 GLN HA H 96 3.966 4.006 -0.040 1
1 1106 . 20 1 1 A 96 96 GLN C C 96 179.685 177.673 2.012 1
1 1107 . 20 1 1 A 96 96 GLN CA C 96 58.987 58.096 0.891 1
1 1108 . 20 1 1 A 96 96 GLN CB C 96 28.433 28.185 0.248 1
1 1110 . 20 1 1 A 96 96 GLN N N 96 119.621 117.480 2.141 1
1 1112 . 20 1 1 A 97 97 TRP H H 97 8.410 7.385 1.025 1
1 1113 . 20 1 1 A 97 97 TRP HA H 97 3.792 4.350 -0.558 1
1 1122 . 20 1 1 A 97 97 TRP C C 97 178.515 178.852 -0.337 1
1 1123 . 20 1 1 A 97 97 TRP CA C 97 61.670 59.861 1.809 1
1 1124 . 20 1 1 A 97 97 TRP CB C 97 29.972 29.876 0.096 1
1 1130 . 20 1 1 A 97 97 TRP N N 97 121.370 120.425 0.945 1
1 1132 . 20 1 1 A 98 98 LEU H H 98 8.505 8.031 0.474 1
1 1133 . 20 1 1 A 98 98 LEU HA H 98 3.485 3.432 0.053 1
1 1143 . 20 1 1 A 98 98 LEU C C 98 180.194 178.584 1.610 1
1 1144 . 20 1 1 A 98 98 LEU CA C 98 58.706 58.070 0.636 1
1 1145 . 20 1 1 A 98 98 LEU CB C 98 41.141 41.320 -0.179 1
1 1149 . 20 1 1 A 98 98 LEU N N 98 119.038 119.955 -0.917 1
1 1150 . 20 1 1 A 99 99 GLU H H 99 8.241 8.575 -0.334 1
1 1151 . 20 1 1 A 99 99 GLU HA H 99 3.927 3.932 -0.005 1
1 1156 . 20 1 1 A 99 99 GLU C C 99 179.082 179.130 -0.048 1
1 1157 . 20 1 1 A 99 99 GLU CA C 99 59.587 59.536 0.051 1
1 1158 . 20 1 1 A 99 99 GLU CB C 99 29.296 29.218 0.078 1
1 1160 . 20 1 1 A 99 99 GLU N N 99 119.886 116.741 3.145 1
1 1161 . 20 1 1 A 100 100 THR H H 100 7.780 7.643 0.137 1
1 1162 . 20 1 1 A 100 100 THR HA H 100 3.862 3.908 -0.046 1
1 1167 . 20 1 1 A 100 100 THR C C 100 176.899 176.365 0.534 1
1 1168 . 20 1 1 A 100 100 THR CA C 100 67.088 67.287 -0.199 1
1 1169 . 20 1 1 A 100 100 THR CB C 100 68.178 68.622 -0.444 1
1 1171 . 20 1 1 A 100 100 THR N N 100 116.913 115.565 1.348 1
1 1172 . 20 1 1 A 101 101 LEU H H 101 9.159 8.374 0.785 1
1 1173 . 20 1 1 A 101 101 LEU HA H 101 3.993 3.959 0.034 1
1 1183 . 20 1 1 A 101 101 LEU C C 101 178.416 179.532 -1.116 1
1 1184 . 20 1 1 A 101 101 LEU CA C 101 58.017 57.826 0.191 1
1 1185 . 20 1 1 A 101 101 LEU CB C 101 42.004 41.517 0.487 1
1 1189 . 20 1 1 A 101 101 LEU N N 101 121.065 120.643 0.422 1
1 1190 . 20 1 1 A 102 102 SER H H 102 7.978 8.291 -0.313 1
1 1191 . 20 1 1 A 102 102 SER HA H 102 4.094 4.098 -0.004 1
1 1194 . 20 1 1 A 102 102 SER C C 102 176.370 177.077 -0.707 1
1 1195 . 20 1 1 A 102 102 SER CA C 102 61.794 61.312 0.482 1
1 1196 . 20 1 1 A 102 102 SER CB C 102 62.855 62.820 0.035 1
1 1197 . 20 1 1 A 102 102 SER N N 102 112.923 114.447 -1.524 1
1 1198 . 20 1 1 A 103 103 THR H H 103 7.683 8.481 -0.798 1
1 1199 . 20 1 1 A 103 103 THR HA H 103 4.020 3.945 0.075 1
1 1204 . 20 1 1 A 103 103 THR C C 103 176.061 176.795 -0.734 1
1 1205 . 20 1 1 A 103 103 THR CA C 103 65.412 66.019 -0.607 1
1 1206 . 20 1 1 A 103 103 THR CB C 103 68.918 68.902 0.016 1
1 1208 . 20 1 1 A 103 103 THR N N 103 116.420 116.389 0.031 1
1 1209 . 20 1 1 A 104 104 ALA H H 104 7.760 7.799 -0.039 1
1 1210 . 20 1 1 A 104 104 ALA HA H 104 4.272 4.133 0.139 1
1 1214 . 20 1 1 A 104 104 ALA C C 104 178.160 179.191 -1.031 1
1 1215 . 20 1 1 A 104 104 ALA CA C 104 54.011 54.969 -0.958 1
1 1216 . 20 1 1 A 104 104 ALA CB C 104 20.155 19.142 1.013 1
1 1217 . 20 1 1 A 104 104 ALA N N 104 123.981 123.311 0.670 1
1 1218 . 20 1 1 A 105 105 ALA H H 105 7.824 8.172 -0.348 1
1 1219 . 20 1 1 A 105 105 ALA HA H 105 4.092 4.096 -0.004 1
1 1223 . 20 1 1 A 105 105 ALA C C 105 177.657 177.675 -0.018 1
1 1224 . 20 1 1 A 105 105 ALA CA C 105 53.058 55.463 -2.405 1
1 1225 . 20 1 1 A 105 105 ALA CB C 105 19.067 18.669 0.398 1
1 1226 . 20 1 1 A 105 105 ALA N N 105 118.227 119.623 -1.396 1
1 1227 . 20 1 1 A 106 106 HIS H H 106 7.675 8.316 -0.641 1
1 1228 . 20 1 1 A 106 106 HIS HA H 106 4.703 4.843 -0.140 1
1 1233 . 20 1 1 A 106 106 HIS C C 106 175.296 174.379 0.917 1
1 1234 . 20 1 1 A 106 106 HIS CA C 106 56.287 54.934 1.353 1
1 1235 . 20 1 1 A 106 106 HIS CB C 106 30.407 32.113 -1.706 1
1 1238 . 20 1 1 A 106 106 HIS N N 106 115.860 113.517 2.343 1
1 1239 . 20 1 1 A 107 107 SER H H 107 8.015 8.685 -0.670 1
1 1240 . 20 1 1 A 107 107 SER HA H 107 4.560 4.040 0.520 1
1 1243 . 20 1 1 A 107 107 SER C C 107 174.345 173.880 0.465 1
1 1244 . 20 1 1 A 107 107 SER CA C 107 58.546 59.411 -0.865 1
1 1245 . 20 1 1 A 107 107 SER CB C 107 64.130 61.842 2.288 1
1 1246 . 20 1 1 A 107 107 SER N N 107 116.310 112.146 4.164 1
1 1247 . 20 1 1 A 108 108 GLY H H 108 8.282 8.120 0.162 1
1 1248 . 20 1 1 A 108 108 GLY HA2 H 108 4.213 3.881 0.332 1
1 1249 . 20 1 1 A 108 108 GLY HA3 H 108 4.042 3.882 0.160 1
1 1250 . 20 1 1 A 108 108 GLY C C 108 171.750 174.283 -2.533 1
1 1251 . 20 1 1 A 108 108 GLY CA C 108 44.640 46.808 -2.168 1
1 1252 . 20 1 1 A 108 108 GLY N N 108 110.511 106.952 3.559 1
1 1253 . 20 1 1 A 109 109 PRO HA H 109 4.497 4.586 -0.089 1
1 1260 . 20 1 1 A 109 109 PRO C C 109 177.419 177.812 -0.393 1
1 1261 . 20 1 1 A 109 109 PRO CA C 109 63.241 62.498 0.743 1
1 1262 . 20 1 1 A 109 109 PRO CB C 109 32.264 32.306 -0.042 1
1 1265 . 20 1 1 A 110 110 SER H H 110 8.558 8.720 -0.162 1
1 1266 . 20 1 1 A 110 110 SER C C 110 174.715 174.815 -0.100 1
1 1267 . 20 1 1 A 110 110 SER CA C 110 58.335 61.347 -3.012 1
1 1268 . 20 1 1 A 110 110 SER CB C 110 63.759 62.842 0.917 1
1 1269 . 20 1 1 A 110 110 SER N N 110 116.470 119.100 -2.630 1
1 1270 . 20 1 1 A 111 111 SER H H 111 8.357 7.673 0.684 1
1 1271 . 20 1 1 A 111 111 SER C C 111 173.931 174.120 -0.189 1
1 1272 . 20 1 1 A 111 111 SER CA C 111 58.335 57.081 1.254 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 99 1.026 1
2 1 1 1 "RMS(OBS, PRED)" CA 104 1.038 1
3 1 1 1 "RMS(OBS, PRED)" CB 96 1.272 1
4 1 1 1 "RMS(OBS, PRED)" H 93 0.529 1
5 1 1 1 "RMS(OBS, PRED)" HA 108 0.340 1
6 1 1 1 "RMS(OBS, PRED)" N 92 3.400 1
7 1 2 1 "RMS(OBS, PRED)" C 99 1.093 1
8 1 2 1 "RMS(OBS, PRED)" CA 104 1.302 1
9 1 2 1 "RMS(OBS, PRED)" CB 96 1.244 1
10 1 2 1 "RMS(OBS, PRED)" H 93 0.527 1
11 1 2 1 "RMS(OBS, PRED)" HA 108 0.358 1
12 1 2 1 "RMS(OBS, PRED)" N 92 3.439 1
13 1 3 1 "RMS(OBS, PRED)" C 99 1.049 1
14 1 3 1 "RMS(OBS, PRED)" CA 104 1.118 1
15 1 3 1 "RMS(OBS, PRED)" CB 96 1.177 1
16 1 3 1 "RMS(OBS, PRED)" H 93 0.551 1
17 1 3 1 "RMS(OBS, PRED)" HA 108 0.356 1
18 1 3 1 "RMS(OBS, PRED)" N 92 3.422 1
19 1 4 1 "RMS(OBS, PRED)" C 99 1.016 1
20 1 4 1 "RMS(OBS, PRED)" CA 104 1.014 1
21 1 4 1 "RMS(OBS, PRED)" CB 96 1.191 1
22 1 4 1 "RMS(OBS, PRED)" H 93 0.488 1
23 1 4 1 "RMS(OBS, PRED)" HA 108 0.343 1
24 1 4 1 "RMS(OBS, PRED)" N 92 3.423 1
25 1 5 1 "RMS(OBS, PRED)" C 99 1.033 1
26 1 5 1 "RMS(OBS, PRED)" CA 104 1.142 1
27 1 5 1 "RMS(OBS, PRED)" CB 96 1.143 1
28 1 5 1 "RMS(OBS, PRED)" H 93 0.503 1
29 1 5 1 "RMS(OBS, PRED)" HA 108 0.365 1
30 1 5 1 "RMS(OBS, PRED)" N 92 3.375 1
31 1 6 1 "RMS(OBS, PRED)" C 99 1.066 1
32 1 6 1 "RMS(OBS, PRED)" CA 104 1.107 1
33 1 6 1 "RMS(OBS, PRED)" CB 96 1.183 1
34 1 6 1 "RMS(OBS, PRED)" H 93 0.551 1
35 1 6 1 "RMS(OBS, PRED)" HA 108 0.326 1
36 1 6 1 "RMS(OBS, PRED)" N 92 3.530 1
37 1 7 1 "RMS(OBS, PRED)" C 99 1.110 1
38 1 7 1 "RMS(OBS, PRED)" CA 104 1.140 1
39 1 7 1 "RMS(OBS, PRED)" CB 96 1.214 1
40 1 7 1 "RMS(OBS, PRED)" H 93 0.524 1
41 1 7 1 "RMS(OBS, PRED)" HA 108 0.319 1
42 1 7 1 "RMS(OBS, PRED)" N 92 3.370 1
43 1 8 1 "RMS(OBS, PRED)" C 99 1.047 1
44 1 8 1 "RMS(OBS, PRED)" CA 104 1.086 1
45 1 8 1 "RMS(OBS, PRED)" CB 96 1.193 1
46 1 8 1 "RMS(OBS, PRED)" H 93 0.505 1
47 1 8 1 "RMS(OBS, PRED)" HA 108 0.346 1
48 1 8 1 "RMS(OBS, PRED)" N 92 3.207 1
49 1 9 1 "RMS(OBS, PRED)" C 99 1.062 1
50 1 9 1 "RMS(OBS, PRED)" CA 104 1.158 1
51 1 9 1 "RMS(OBS, PRED)" CB 96 1.251 1
52 1 9 1 "RMS(OBS, PRED)" H 93 0.514 1
53 1 9 1 "RMS(OBS, PRED)" HA 108 0.335 1
54 1 9 1 "RMS(OBS, PRED)" N 92 3.480 1
55 1 10 1 "RMS(OBS, PRED)" C 99 1.045 1
56 1 10 1 "RMS(OBS, PRED)" CA 104 1.028 1
57 1 10 1 "RMS(OBS, PRED)" CB 96 1.310 1
58 1 10 1 "RMS(OBS, PRED)" H 93 0.501 1
59 1 10 1 "RMS(OBS, PRED)" HA 108 0.358 1
60 1 10 1 "RMS(OBS, PRED)" N 92 3.360 1
61 1 11 1 "RMS(OBS, PRED)" C 99 1.126 1
62 1 11 1 "RMS(OBS, PRED)" CA 104 1.136 1
63 1 11 1 "RMS(OBS, PRED)" CB 96 1.319 1
64 1 11 1 "RMS(OBS, PRED)" H 93 0.478 1
65 1 11 1 "RMS(OBS, PRED)" HA 108 0.349 1
66 1 11 1 "RMS(OBS, PRED)" N 92 3.226 1
67 1 12 1 "RMS(OBS, PRED)" C 99 0.957 1
68 1 12 1 "RMS(OBS, PRED)" CA 104 1.097 1
69 1 12 1 "RMS(OBS, PRED)" CB 96 1.228 1
70 1 12 1 "RMS(OBS, PRED)" H 93 0.507 1
71 1 12 1 "RMS(OBS, PRED)" HA 108 0.363 1
72 1 12 1 "RMS(OBS, PRED)" N 92 3.247 1
73 1 13 1 "RMS(OBS, PRED)" C 99 1.045 1
74 1 13 1 "RMS(OBS, PRED)" CA 104 1.135 1
75 1 13 1 "RMS(OBS, PRED)" CB 96 1.184 1
76 1 13 1 "RMS(OBS, PRED)" H 93 0.507 1
77 1 13 1 "RMS(OBS, PRED)" HA 108 0.343 1
78 1 13 1 "RMS(OBS, PRED)" N 92 3.272 1
79 1 14 1 "RMS(OBS, PRED)" C 99 0.985 1
80 1 14 1 "RMS(OBS, PRED)" CA 104 1.190 1
81 1 14 1 "RMS(OBS, PRED)" CB 96 1.101 1
82 1 14 1 "RMS(OBS, PRED)" H 93 0.524 1
83 1 14 1 "RMS(OBS, PRED)" HA 108 0.331 1
84 1 14 1 "RMS(OBS, PRED)" N 92 3.371 1
85 1 15 1 "RMS(OBS, PRED)" C 99 1.042 1
86 1 15 1 "RMS(OBS, PRED)" CA 104 1.055 1
87 1 15 1 "RMS(OBS, PRED)" CB 96 1.230 1
88 1 15 1 "RMS(OBS, PRED)" H 93 0.507 1
89 1 15 1 "RMS(OBS, PRED)" HA 108 0.350 1
90 1 15 1 "RMS(OBS, PRED)" N 92 3.504 1
91 1 16 1 "RMS(OBS, PRED)" C 99 0.985 1
92 1 16 1 "RMS(OBS, PRED)" CA 104 1.101 1
93 1 16 1 "RMS(OBS, PRED)" CB 96 1.187 1
94 1 16 1 "RMS(OBS, PRED)" H 93 0.513 1
95 1 16 1 "RMS(OBS, PRED)" HA 108 0.339 1
96 1 16 1 "RMS(OBS, PRED)" N 92 3.404 1
97 1 17 1 "RMS(OBS, PRED)" C 99 1.041 1
98 1 17 1 "RMS(OBS, PRED)" CA 104 1.162 1
99 1 17 1 "RMS(OBS, PRED)" CB 96 1.231 1
100 1 17 1 "RMS(OBS, PRED)" H 93 0.525 1
101 1 17 1 "RMS(OBS, PRED)" HA 108 0.364 1
102 1 17 1 "RMS(OBS, PRED)" N 92 3.348 1
103 1 18 1 "RMS(OBS, PRED)" C 99 1.030 1
104 1 18 1 "RMS(OBS, PRED)" CA 104 1.132 1
105 1 18 1 "RMS(OBS, PRED)" CB 96 1.252 1
106 1 18 1 "RMS(OBS, PRED)" H 93 0.507 1
107 1 18 1 "RMS(OBS, PRED)" HA 108 0.348 1
108 1 18 1 "RMS(OBS, PRED)" N 92 3.385 1
109 1 19 1 "RMS(OBS, PRED)" C 99 1.032 1
110 1 19 1 "RMS(OBS, PRED)" CA 104 1.066 1
111 1 19 1 "RMS(OBS, PRED)" CB 96 1.139 1
112 1 19 1 "RMS(OBS, PRED)" H 93 0.505 1
113 1 19 1 "RMS(OBS, PRED)" HA 108 0.360 1
114 1 19 1 "RMS(OBS, PRED)" N 92 3.338 1
115 1 20 1 "RMS(OBS, PRED)" C 99 1.069 1
116 1 20 1 "RMS(OBS, PRED)" CA 104 1.165 1
117 1 20 1 "RMS(OBS, PRED)" CB 96 1.196 1
118 1 20 1 "RMS(OBS, PRED)" H 93 0.519 1
119 1 20 1 "RMS(OBS, PRED)" HA 108 0.365 1
120 1 20 1 "RMS(OBS, PRED)" N 92 3.356 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 8 8 SER HA H 8 5.012 4.904 0.108 2
1 4 . 1 1 A 8 8 SER CA C 8 58.166 57.998 0.168 2
1 5 . 1 1 A 8 8 SER CB C 8 64.582 65.492 -0.910 2
1 6 . 1 1 A 9 9 LEU H H 9 9.253 8.287 0.966 2
1 7 . 1 1 A 9 9 LEU HA H 9 4.091 3.970 0.121 2
1 17 . 1 1 A 9 9 LEU C C 9 176.799 176.664 0.135 2
1 18 . 1 1 A 9 9 LEU CA C 9 57.523 57.806 -0.283 2
1 19 . 1 1 A 9 9 LEU CB C 9 42.703 42.088 0.615 2
1 23 . 1 1 A 9 9 LEU N N 9 127.432 126.621 0.811 2
1 24 . 1 1 A 10 10 LEU H H 10 6.827 7.753 -0.926 2
1 25 . 1 1 A 10 10 LEU HA H 10 4.201 4.584 -0.383 2
1 35 . 1 1 A 10 10 LEU C C 10 173.779 174.470 -0.691 2
1 36 . 1 1 A 10 10 LEU CA C 10 54.399 54.056 0.343 2
1 37 . 1 1 A 10 10 LEU CB C 10 45.006 45.433 -0.427 2
1 41 . 1 1 A 10 10 LEU N N 10 116.105 117.508 -1.403 2
1 42 . 1 1 A 11 11 CYS H H 11 7.989 8.898 -0.909 2
1 43 . 1 1 A 11 11 CYS HA H 11 5.743 5.371 0.372 2
1 46 . 1 1 A 11 11 CYS C C 11 172.654 173.218 -0.564 2
1 47 . 1 1 A 11 11 CYS CA C 11 55.546 57.224 -1.678 2
1 48 . 1 1 A 11 11 CYS CB C 11 31.333 31.345 -0.012 2
1 49 . 1 1 A 11 11 CYS N N 11 117.939 123.089 -5.150 2
1 50 . 1 1 A 12 12 GLY H H 12 8.479 7.410 1.069 2
1 51 . 1 1 A 12 12 GLY HA2 H 12 4.419 3.763 0.656 2
1 52 . 1 1 A 12 12 GLY HA3 H 12 2.832 4.097 -1.265 2
1 53 . 1 1 A 12 12 GLY C C 12 168.720 171.694 -2.974 2
1 54 . 1 1 A 12 12 GLY CA C 12 44.710 44.686 0.024 2
1 55 . 1 1 A 12 12 GLY N N 12 109.046 106.744 2.302 2
1 56 . 1 1 A 13 13 PRO HA H 13 5.163 4.545 0.618 2
1 63 . 1 1 A 13 13 PRO C C 13 177.501 175.160 2.341 2
1 64 . 1 1 A 13 13 PRO CA C 13 62.182 63.098 -0.916 2
1 65 . 1 1 A 13 13 PRO CB C 13 32.587 32.100 0.487 2
1 68 . 1 1 A 14 14 LEU H H 14 8.630 8.590 0.040 2
1 69 . 1 1 A 14 14 LEU HA H 14 4.764 4.975 -0.211 2
1 79 . 1 1 A 14 14 LEU C C 14 175.698 174.312 1.386 2
1 80 . 1 1 A 14 14 LEU CA C 14 53.975 52.984 0.991 2
1 81 . 1 1 A 14 14 LEU CB C 14 48.936 45.677 3.259 2
1 85 . 1 1 A 14 14 LEU N N 14 122.246 123.923 -1.677 2
1 86 . 1 1 A 15 15 ARG H H 15 8.498 8.111 0.387 2
1 87 . 1 1 A 15 15 ARG HA H 15 5.421 5.314 0.107 2
1 95 . 1 1 A 15 15 ARG C C 15 174.664 174.828 -0.164 2
1 96 . 1 1 A 15 15 ARG CA C 15 54.858 54.384 0.474 2
1 97 . 1 1 A 15 15 ARG CB C 15 34.085 33.824 0.261 2
1 100 . 1 1 A 15 15 ARG N N 15 118.593 122.967 -4.374 2
1 102 . 1 1 A 16 16 LEU H H 16 9.244 8.750 0.494 2
1 103 . 1 1 A 16 16 LEU HA H 16 5.662 5.589 0.073 2
1 113 . 1 1 A 16 16 LEU C C 16 176.872 174.739 2.133 2
1 114 . 1 1 A 16 16 LEU CA C 16 53.746 53.789 -0.043 2
1 115 . 1 1 A 16 16 LEU CB C 16 47.803 46.536 1.267 2
1 119 . 1 1 A 16 16 LEU N N 16 123.893 124.723 -0.830 2
1 120 . 1 1 A 17 17 SER H H 17 8.982 8.543 0.439 2
1 121 . 1 1 A 17 17 SER HA H 17 4.484 5.236 -0.752 2
1 124 . 1 1 A 17 17 SER C C 17 173.790 172.892 0.898 2
1 125 . 1 1 A 17 17 SER CA C 17 57.081 56.648 0.433 2
1 126 . 1 1 A 17 17 SER CB C 17 64.487 64.938 -0.451 2
1 127 . 1 1 A 17 17 SER N N 17 117.455 119.148 -1.693 2
1 128 . 1 1 A 18 18 GLU H H 18 9.102 8.650 0.452 2
1 129 . 1 1 A 18 18 GLU HA H 18 3.832 4.399 -0.567 2
1 134 . 1 1 A 18 18 GLU C C 18 176.185 176.728 -0.543 2
1 135 . 1 1 A 18 18 GLU CA C 18 58.793 55.818 2.975 2
1 136 . 1 1 A 18 18 GLU CB C 18 30.037 29.626 0.411 2
1 138 . 1 1 A 18 18 GLU N N 18 129.354 124.051 5.303 2
1 139 . 1 1 A 19 19 SER H H 19 7.792 9.191 -1.399 2
1 140 . 1 1 A 19 19 SER HA H 19 4.650 4.231 0.419 2
1 143 . 1 1 A 19 19 SER C C 19 175.321 173.919 1.402 2
1 144 . 1 1 A 19 19 SER CA C 19 57.699 59.230 -1.531 2
1 145 . 1 1 A 19 19 SER CB C 19 65.816 61.800 4.016 2
1 146 . 1 1 A 19 19 SER N N 19 108.812 120.712 -11.900 2
1 147 . 1 1 A 20 20 GLY H H 20 8.376 8.229 0.147 2
1 148 . 1 1 A 20 20 GLY HA2 H 20 3.931 3.228 0.703 2
1 149 . 1 1 A 20 20 GLY HA3 H 20 2.690 3.562 -0.872 2
1 150 . 1 1 A 20 20 GLY C C 20 172.644 174.387 -1.743 2
1 151 . 1 1 A 20 20 GLY CA C 20 44.746 46.432 -1.686 2
1 152 . 1 1 A 20 20 GLY N N 20 111.458 106.142 5.316 2
1 153 . 1 1 A 21 21 GLU H H 21 7.522 7.609 -0.087 2
1 154 . 1 1 A 21 21 GLU HA H 21 4.274 4.500 -0.226 2
1 159 . 1 1 A 21 21 GLU C C 21 176.266 175.757 0.509 2
1 160 . 1 1 A 21 21 GLU CA C 21 58.069 57.333 0.736 2
1 161 . 1 1 A 21 21 GLU CB C 21 31.024 32.113 -1.089 2
1 163 . 1 1 A 21 21 GLU N N 21 119.071 118.898 0.173 2
1 164 . 1 1 A 22 22 THR H H 22 7.436 7.631 -0.195 2
1 165 . 1 1 A 22 22 THR HA H 22 4.618 4.735 -0.117 2
1 170 . 1 1 A 22 22 THR C C 22 173.662 172.497 1.165 2
1 171 . 1 1 A 22 22 THR CA C 22 60.682 60.347 0.335 2
1 172 . 1 1 A 22 22 THR CB C 22 70.504 71.230 -0.726 2
1 174 . 1 1 A 22 22 THR N N 22 111.176 110.459 0.717 2
1 175 . 1 1 A 23 23 TRP H H 23 9.121 8.992 0.129 2
1 176 . 1 1 A 23 23 TRP HA H 23 4.983 5.567 -0.584 2
1 185 . 1 1 A 23 23 TRP C C 23 175.888 176.239 -0.351 2
1 186 . 1 1 A 23 23 TRP CA C 23 56.570 56.436 0.134 2
1 187 . 1 1 A 23 23 TRP CB C 23 32.176 31.084 1.092 2
1 193 . 1 1 A 23 23 TRP N N 23 127.096 127.856 -0.760 2
1 195 . 1 1 A 24 24 SER H H 24 9.273 9.018 0.255 2
1 196 . 1 1 A 24 24 SER HA H 24 4.948 5.138 -0.191 2
1 199 . 1 1 A 24 24 SER C C 24 173.268 172.721 0.547 2
1 200 . 1 1 A 24 24 SER CA C 24 57.346 57.471 -0.125 2
1 201 . 1 1 A 24 24 SER CB C 24 65.445 66.650 -1.205 2
1 202 . 1 1 A 24 24 SER N N 24 118.031 117.209 0.822 2
1 203 . 1 1 A 25 25 GLU H H 25 8.990 8.586 0.404 2
1 204 . 1 1 A 25 25 GLU HA H 25 4.737 4.756 -0.019 2
1 209 . 1 1 A 25 25 GLU C C 25 176.246 176.221 0.025 2
1 210 . 1 1 A 25 25 GLU CA C 25 57.170 56.195 0.975 2
1 211 . 1 1 A 25 25 GLU CB C 25 30.202 30.505 -0.303 2
1 213 . 1 1 A 25 25 GLU N N 25 125.088 123.093 1.995 2
1 214 . 1 1 A 26 26 VAL H H 26 9.012 8.988 0.024 2
1 215 . 1 1 A 26 26 VAL HA H 26 5.002 5.061 -0.059 2
1 223 . 1 1 A 26 26 VAL C C 26 174.304 173.583 0.721 2
1 224 . 1 1 A 26 26 VAL CA C 26 58.917 59.193 -0.276 2
1 225 . 1 1 A 26 26 VAL CB C 26 35.753 36.075 -0.322 2
1 228 . 1 1 A 26 26 VAL N N 26 118.076 118.945 -0.869 2
1 229 . 1 1 A 27 27 TRP H H 27 8.880 8.823 0.057 2
1 230 . 1 1 A 27 27 TRP HA H 27 4.814 5.485 -0.671 2
1 239 . 1 1 A 27 27 TRP C C 27 174.255 174.328 -0.073 2
1 240 . 1 1 A 27 27 TRP CA C 27 57.117 55.117 2.000 2
1 241 . 1 1 A 27 27 TRP CB C 27 30.325 32.615 -2.290 2
1 247 . 1 1 A 27 27 TRP N N 27 122.873 125.404 -2.532 2
1 249 . 1 1 A 28 28 ALA H H 28 8.482 8.335 0.147 2
1 250 . 1 1 A 28 28 ALA HA H 28 5.329 5.340 -0.011 2
1 254 . 1 1 A 28 28 ALA C C 28 175.519 175.830 -0.311 2
1 255 . 1 1 A 28 28 ALA CA C 28 49.670 50.156 -0.486 2
1 256 . 1 1 A 28 28 ALA CB C 28 23.827 21.831 1.996 2
1 257 . 1 1 A 28 28 ALA N N 28 133.586 129.822 3.764 2
1 258 . 1 1 A 29 29 ALA H H 29 8.948 8.818 0.130 2
1 259 . 1 1 A 29 29 ALA HA H 29 5.160 5.275 -0.115 2
1 263 . 1 1 A 29 29 ALA C C 29 175.956 176.036 -0.080 2
1 264 . 1 1 A 29 29 ALA CA C 29 52.210 51.834 0.376 2
1 265 . 1 1 A 29 29 ALA CB C 29 23.697 23.298 0.399 2
1 266 . 1 1 A 29 29 ALA N N 29 119.901 123.042 -3.141 2
1 267 . 1 1 A 30 30 ILE H H 30 8.245 8.658 -0.413 2
1 268 . 1 1 A 30 30 ILE HA H 30 5.313 4.650 0.663 2
1 278 . 1 1 A 30 30 ILE C C 30 174.004 174.468 -0.463 2
1 279 . 1 1 A 30 30 ILE CA C 30 57.699 57.473 0.226 2
1 280 . 1 1 A 30 30 ILE CB C 30 40.565 39.381 1.184 2
1 284 . 1 1 A 30 30 ILE N N 30 122.332 121.116 1.216 2
1 285 . 1 1 A 31 31 PRO HA H 31 4.655 4.674 -0.019 2
1 292 . 1 1 A 31 31 PRO C C 31 177.566 177.957 -0.391 2
1 293 . 1 1 A 31 31 PRO CA C 31 62.464 62.457 0.007 2
1 294 . 1 1 A 31 31 PRO CB C 31 31.929 31.502 0.427 2
1 297 . 1 1 A 32 32 MET H H 32 8.572 8.578 -0.006 2
1 298 . 1 1 A 32 32 MET HA H 32 3.997 4.103 -0.106 2
1 306 . 1 1 A 32 32 MET C C 32 177.770 178.160 -0.390 2
1 307 . 1 1 A 32 32 MET CA C 32 58.158 58.720 -0.562 2
1 308 . 1 1 A 32 32 MET CB C 32 31.929 32.216 -0.287 2
1 311 . 1 1 A 32 32 MET N N 32 121.580 124.257 -2.677 2
1 312 . 1 1 A 33 33 SER H H 33 8.163 8.255 -0.092 2
1 313 . 1 1 A 33 33 SER HA H 33 4.213 4.235 -0.022 2
1 316 . 1 1 A 33 33 SER C C 33 174.424 174.261 0.163 2
1 317 . 1 1 A 33 33 SER CA C 33 58.864 61.370 -2.506 2
1 318 . 1 1 A 33 33 SER CB C 33 63.225 62.989 0.236 2
1 319 . 1 1 A 33 33 SER N N 33 109.218 114.697 -5.479 2
1 320 . 1 1 A 34 34 ASP H H 34 7.179 8.001 -0.822 2
1 321 . 1 1 A 34 34 ASP HA H 34 4.912 5.087 -0.175 2
1 324 . 1 1 A 34 34 ASP C C 34 171.847 174.228 -2.381 2
1 325 . 1 1 A 34 34 ASP CA C 34 52.581 51.227 1.354 2
1 326 . 1 1 A 34 34 ASP CB C 34 41.223 41.477 -0.254 2
1 327 . 1 1 A 34 34 ASP N N 34 120.601 119.744 0.857 2
1 328 . 1 1 A 35 35 PRO HA H 35 4.510 4.554 -0.044 2
1 335 . 1 1 A 35 35 PRO C C 35 175.635 176.116 -0.481 2
1 336 . 1 1 A 35 35 PRO CA C 35 64.511 63.969 0.542 2
1 337 . 1 1 A 35 35 PRO CB C 35 31.729 32.119 -0.390 2
1 340 . 1 1 A 36 36 GLN H H 36 7.982 8.307 -0.325 2
1 341 . 1 1 A 36 36 GLN HA H 36 4.472 4.476 -0.004 2
1 348 . 1 1 A 36 36 GLN C C 36 174.646 174.778 -0.132 2
1 349 . 1 1 A 36 36 GLN CA C 36 55.193 55.875 -0.682 2
1 350 . 1 1 A 36 36 GLN CB C 36 29.420 29.614 -0.194 2
1 352 . 1 1 A 36 36 GLN N N 36 114.393 117.795 -3.402 2
1 354 . 1 1 A 37 37 VAL H H 37 7.878 7.628 0.250 2
1 355 . 1 1 A 37 37 VAL HA H 37 4.546 4.748 -0.202 2
1 363 . 1 1 A 37 37 VAL C C 37 172.485 172.815 -0.330 2
1 364 . 1 1 A 37 37 VAL CA C 37 60.987 60.333 0.654 2
1 365 . 1 1 A 37 37 VAL CB C 37 35.218 34.819 0.399 2
1 368 . 1 1 A 37 37 VAL N N 37 120.432 119.545 0.887 2
1 369 . 1 1 A 38 38 LEU H H 38 7.992 8.881 -0.889 2
1 370 . 1 1 A 38 38 LEU HA H 38 4.770 5.244 -0.474 2
1 380 . 1 1 A 38 38 LEU C C 38 175.193 175.225 -0.032 2
1 381 . 1 1 A 38 38 LEU CA C 38 53.146 53.172 -0.026 2
1 382 . 1 1 A 38 38 LEU CB C 38 45.359 44.549 0.810 2
1 386 . 1 1 A 38 38 LEU N N 38 123.585 129.617 -6.032 2
1 387 . 1 1 A 39 39 HIS H H 39 9.442 8.908 0.534 2
1 388 . 1 1 A 39 39 HIS HA H 39 5.212 5.017 0.195 2
1 393 . 1 1 A 39 39 HIS C C 39 175.351 175.590 -0.239 2
1 394 . 1 1 A 39 39 HIS CA C 39 55.211 56.437 -1.226 2
1 395 . 1 1 A 39 39 HIS CB C 39 32.669 30.954 1.715 2
1 398 . 1 1 A 39 39 HIS N N 39 126.949 126.314 0.635 2
1 399 . 1 1 A 40 40 LEU H H 40 8.424 8.398 0.026 2
1 400 . 1 1 A 40 40 LEU HA H 40 5.082 5.130 -0.048 2
1 410 . 1 1 A 40 40 LEU C C 40 176.050 175.702 0.348 2
1 411 . 1 1 A 40 40 LEU CA C 40 53.552 53.533 0.019 2
1 412 . 1 1 A 40 40 LEU CB C 40 44.019 45.484 -1.465 2
1 416 . 1 1 A 40 40 LEU N N 40 122.395 122.276 0.119 2
1 417 . 1 1 A 41 41 GLN H H 41 8.972 9.094 -0.122 2
1 418 . 1 1 A 41 41 GLN HA H 41 4.723 5.163 -0.440 2
1 425 . 1 1 A 41 41 GLN C C 41 175.453 175.253 0.200 2
1 426 . 1 1 A 41 41 GLN CA C 41 54.840 54.418 0.422 2
1 427 . 1 1 A 41 41 GLN CB C 41 31.946 31.546 0.400 2
1 429 . 1 1 A 41 41 GLN N N 41 121.779 121.801 -0.022 2
1 431 . 1 1 A 42 42 GLY H H 42 8.739 8.578 0.161 2
1 432 . 1 1 A 42 42 GLY HA2 H 42 4.252 4.227 0.025 2
1 433 . 1 1 A 42 42 GLY HA3 H 42 4.200 4.249 -0.049 2
1 434 . 1 1 A 42 42 GLY C C 42 173.938 173.595 0.343 2
1 435 . 1 1 A 42 42 GLY CA C 42 44.746 45.503 -0.757 2
1 436 . 1 1 A 42 42 GLY N N 42 112.892 111.491 1.401 2
1 437 . 1 1 A 43 43 GLY H H 43 8.709 8.250 0.459 2
1 438 . 1 1 A 43 43 GLY HA2 H 43 4.110 4.121 -0.011 2
1 439 . 1 1 A 43 43 GLY HA3 H 43 3.962 4.124 -0.162 2
1 440 . 1 1 A 43 43 GLY C C 43 174.713 173.783 0.930 2
1 441 . 1 1 A 43 43 GLY CA C 43 45.346 45.453 -0.107 2
1 442 . 1 1 A 43 43 GLY N N 43 108.768 109.117 -0.349 2
1 443 . 1 1 A 44 44 SER H H 44 8.369 8.573 -0.204 2
1 444 . 1 1 A 44 44 SER C C 44 175.312 175.143 0.169 2
1 445 . 1 1 A 44 44 SER CA C 44 58.723 58.374 0.349 2
1 446 . 1 1 A 44 44 SER CB C 44 63.924 64.307 -0.383 2
1 447 . 1 1 A 44 44 SER N N 44 115.582 116.876 -1.294 2
1 448 . 1 1 A 45 45 GLN HA H 45 4.346 4.168 0.178 2
1 455 . 1 1 A 45 45 GLN C C 45 175.931 176.674 -0.743 2
1 456 . 1 1 A 45 45 GLN CA C 45 56.358 58.486 -2.128 2
1 457 . 1 1 A 45 45 GLN CB C 45 28.392 28.861 -0.469 2
1 460 . 1 1 A 46 46 ASP H H 46 8.053 7.954 0.099 2
1 461 . 1 1 A 46 46 ASP HA H 46 4.615 4.668 -0.053 2
1 464 . 1 1 A 46 46 ASP C C 46 176.998 176.598 0.400 2
1 465 . 1 1 A 46 46 ASP CA C 46 54.188 54.950 -0.762 2
1 466 . 1 1 A 46 46 ASP CB C 46 41.099 41.666 -0.567 2
1 467 . 1 1 A 46 46 ASP N N 46 119.460 118.241 1.219 2
1 468 . 1 1 A 47 47 GLY H H 47 8.311 8.323 -0.012 2
1 469 . 1 1 A 47 47 GLY HA2 H 47 3.970 3.996 -0.026 2
1 470 . 1 1 A 47 47 GLY HA3 H 47 3.970 4.005 -0.035 2
1 471 . 1 1 A 47 47 GLY C C 47 174.725 174.971 -0.246 2
1 472 . 1 1 A 47 47 GLY CA C 47 45.892 45.610 0.282 2
1 473 . 1 1 A 47 47 GLY N N 47 109.753 109.365 0.388 2
1 474 . 1 1 A 48 48 ARG H H 48 8.300 8.241 0.059 2
1 475 . 1 1 A 48 48 ARG HA H 48 4.308 4.166 0.142 2
1 482 . 1 1 A 48 48 ARG C C 48 176.347 176.484 -0.137 2
1 483 . 1 1 A 48 48 ARG CA C 48 56.782 57.815 -1.033 2
1 484 . 1 1 A 48 48 ARG CB C 48 30.654 29.758 0.896 2
1 487 . 1 1 A 48 48 ARG N N 48 119.526 119.440 0.086 2
1 488 . 1 1 A 49 49 LEU H H 49 7.682 7.612 0.070 2
1 489 . 1 1 A 49 49 LEU HA H 49 4.252 4.115 0.137 2
1 499 . 1 1 A 49 49 LEU C C 49 174.707 175.072 -0.365 2
1 500 . 1 1 A 49 49 LEU CA C 49 53.040 53.116 -0.076 2
1 501 . 1 1 A 49 49 LEU CB C 49 41.759 42.045 -0.286 2
1 505 . 1 1 A 49 49 LEU N N 49 121.049 121.628 -0.579 2
1 506 . 1 1 A 50 50 PRO HA H 50 4.392 4.605 -0.213 2
1 513 . 1 1 A 50 50 PRO C C 50 175.058 177.487 -2.429 2
1 514 . 1 1 A 50 50 PRO CA C 50 62.323 62.865 -0.543 2
1 515 . 1 1 A 50 50 PRO CB C 50 31.353 31.832 -0.479 2
1 518 . 1 1 A 51 51 ARG H H 51 8.295 8.777 -0.482 2
1 519 . 1 1 A 51 51 ARG HA H 51 4.511 4.071 0.440 2
1 526 . 1 1 A 51 51 ARG C C 51 177.443 176.238 1.205 2
1 527 . 1 1 A 51 51 ARG CA C 51 56.728 58.730 -2.002 2
1 528 . 1 1 A 51 51 ARG CB C 51 31.194 30.584 0.610 2
1 531 . 1 1 A 51 51 ARG N N 51 119.201 122.054 -2.853 2
1 532 . 1 1 A 52 52 THR H H 52 7.372 7.904 -0.532 2
1 533 . 1 1 A 52 52 THR HA H 52 4.963 4.755 0.208 2
1 538 . 1 1 A 52 52 THR C C 52 173.287 173.423 -0.137 2
1 539 . 1 1 A 52 52 THR CA C 52 59.411 60.257 -0.846 2
1 540 . 1 1 A 52 52 THR CB C 52 71.632 71.146 0.486 2
1 542 . 1 1 A 52 52 THR N N 52 109.591 109.773 -0.182 2
1 543 . 1 1 A 53 53 ILE H H 53 8.742 8.773 -0.031 2
1 544 . 1 1 A 53 53 ILE HA H 53 3.845 4.546 -0.701 2
1 554 . 1 1 A 53 53 ILE C C 53 173.374 174.464 -1.090 2
1 555 . 1 1 A 53 53 ILE CA C 53 57.735 57.547 0.188 2
1 556 . 1 1 A 53 53 ILE CB C 53 41.196 39.716 1.480 2
1 560 . 1 1 A 53 53 ILE N N 53 123.236 125.079 -1.843 2
1 561 . 1 1 A 54 54 PRO HA H 54 4.541 4.603 -0.062 2
1 568 . 1 1 A 54 54 PRO CA C 54 61.292 62.356 -1.064 2
1 569 . 1 1 A 54 54 PRO CB C 54 30.119 30.953 -0.834 2
1 572 . 1 1 A 55 55 LEU H H 55 8.146 8.292 -0.146 2
1 573 . 1 1 A 55 55 LEU HA H 55 4.262 3.845 0.417 2
1 583 . 1 1 A 55 55 LEU CA C 55 58.660 59.025 -0.365 2
1 584 . 1 1 A 55 55 LEU CB C 55 39.660 39.596 0.064 2
1 588 . 1 1 A 55 55 LEU N N 55 127.224 123.773 3.451 2
1 589 . 1 1 A 56 56 PRO HA H 56 4.630 4.384 0.246 2
1 596 . 1 1 A 56 56 PRO C C 56 177.498 177.552 -0.054 2
1 597 . 1 1 A 56 56 PRO CA C 56 65.782 65.589 0.193 2
1 598 . 1 1 A 56 56 PRO CB C 56 31.188 31.237 -0.049 2
1 601 . 1 1 A 57 57 SER H H 57 7.722 8.053 -0.331 2
1 602 . 1 1 A 57 57 SER HA H 57 4.723 4.728 -0.005 2
1 605 . 1 1 A 57 57 SER C C 57 174.102 173.660 0.442 2
1 606 . 1 1 A 57 57 SER CA C 57 58.423 58.258 0.165 2
1 607 . 1 1 A 57 57 SER CB C 57 63.924 64.555 -0.631 2
1 608 . 1 1 A 57 57 SER N N 57 110.169 111.457 -1.288 2
1 609 . 1 1 A 58 58 CYS H H 58 8.002 7.699 0.303 2
1 610 . 1 1 A 58 58 CYS HA H 58 5.282 4.746 0.536 2
1 613 . 1 1 A 58 58 CYS C C 58 174.525 173.940 0.585 2
1 614 . 1 1 A 58 58 CYS CA C 58 59.447 58.793 0.654 2
1 615 . 1 1 A 58 58 CYS CB C 58 29.594 29.112 0.482 2
1 616 . 1 1 A 58 58 CYS N N 58 118.902 119.217 -0.315 2
1 617 . 1 1 A 59 59 LYS H H 59 9.242 8.756 0.486 2
1 618 . 1 1 A 59 59 LYS HA H 59 4.777 4.824 -0.047 2
1 627 . 1 1 A 59 59 LYS C C 59 175.947 175.233 0.714 2
1 628 . 1 1 A 59 59 LYS CA C 59 55.299 54.980 0.319 2
1 629 . 1 1 A 59 59 LYS CB C 59 34.561 33.989 0.572 2
1 633 . 1 1 A 59 59 LYS N N 59 122.306 125.073 -2.767 2
1 634 . 1 1 A 60 60 LEU H H 60 9.030 9.021 0.009 2
1 635 . 1 1 A 60 60 LEU HA H 60 5.543 4.813 0.730 2
1 645 . 1 1 A 60 60 LEU C C 60 176.239 176.004 0.235 2
1 646 . 1 1 A 60 60 LEU CA C 60 53.958 54.394 -0.436 2
1 647 . 1 1 A 60 60 LEU CB C 60 44.454 42.026 2.428 2
1 651 . 1 1 A 60 60 LEU N N 60 129.520 127.912 1.608 2
1 652 . 1 1 A 61 61 SER H H 61 9.077 8.725 0.352 2
1 653 . 1 1 A 61 61 SER HA H 61 4.832 5.152 -0.320 2
1 656 . 1 1 A 61 61 SER C C 61 172.173 172.860 -0.687 2
1 657 . 1 1 A 61 61 SER CA C 61 57.558 57.438 0.120 2
1 658 . 1 1 A 61 61 SER CB C 61 65.692 65.881 -0.189 2
1 659 . 1 1 A 61 61 SER N N 61 117.374 121.060 -3.686 2
1 660 . 1 1 A 62 62 VAL H H 62 8.784 8.869 -0.085 2
1 661 . 1 1 A 62 62 VAL HA H 62 4.927 4.638 0.289 2
1 669 . 1 1 A 62 62 VAL C C 62 174.367 174.635 -0.268 2
1 670 . 1 1 A 62 62 VAL CA C 62 59.782 59.888 -0.106 2
1 671 . 1 1 A 62 62 VAL CB C 62 33.518 32.641 0.877 2
1 674 . 1 1 A 62 62 VAL N N 62 119.929 126.074 -6.145 2
1 675 . 1 1 A 63 63 PRO HA H 63 4.495 4.659 -0.164 2
1 682 . 1 1 A 63 63 PRO CA C 63 62.526 62.436 0.090 2
1 683 . 1 1 A 63 63 PRO CB C 63 32.504 32.599 -0.095 2
1 686 . 1 1 A 64 64 ASP H H 64 8.762 8.606 0.156 2
1 687 . 1 1 A 64 64 ASP HA H 64 4.780 4.952 -0.172 2
1 690 . 1 1 A 64 64 ASP CA C 64 53.231 52.156 1.075 2
1 691 . 1 1 A 64 64 ASP CB C 64 41.105 40.639 0.466 2
1 692 . 1 1 A 64 64 ASP N N 64 123.527 120.996 2.530 2
1 693 . 1 1 A 65 65 PRO HA H 65 4.371 4.419 -0.048 2
1 700 . 1 1 A 65 65 PRO C C 65 178.309 178.182 0.127 2
1 701 . 1 1 A 65 65 PRO CA C 65 64.829 64.968 -0.139 2
1 702 . 1 1 A 65 65 PRO CB C 65 32.136 31.918 0.218 2
1 705 . 1 1 A 66 66 GLU H H 66 8.890 8.612 0.278 2
1 706 . 1 1 A 66 66 GLU HA H 66 4.129 4.087 0.042 2
1 711 . 1 1 A 66 66 GLU C C 66 177.222 178.209 -0.987 2
1 712 . 1 1 A 66 66 GLU CA C 66 57.805 59.379 -1.574 2
1 713 . 1 1 A 66 66 GLU CB C 66 29.334 29.019 0.315 2
1 715 . 1 1 A 66 66 GLU N N 66 117.225 117.244 -0.019 2
1 716 . 1 1 A 67 67 GLU H H 67 7.971 8.007 -0.036 2
1 717 . 1 1 A 67 67 GLU HA H 67 4.136 4.269 -0.133 2
1 722 . 1 1 A 67 67 GLU C C 67 176.058 176.243 -0.185 2
1 723 . 1 1 A 67 67 GLU CA C 67 57.328 57.786 -0.458 2
1 724 . 1 1 A 67 67 GLU CB C 67 29.594 30.156 -0.562 2
1 726 . 1 1 A 67 67 GLU N N 67 119.516 119.707 -0.192 2
1 727 . 1 1 A 68 68 ARG H H 68 8.020 8.309 -0.290 2
1 728 . 1 1 A 68 68 ARG HA H 68 4.043 4.376 -0.333 2
1 735 . 1 1 A 68 68 ARG C C 68 175.591 175.375 0.216 2
1 736 . 1 1 A 68 68 ARG CA C 68 56.075 55.742 0.333 2
1 737 . 1 1 A 68 68 ARG CB C 68 28.927 29.423 -0.496 2
1 740 . 1 1 A 68 68 ARG N N 68 118.917 119.096 -0.179 2
1 741 . 1 1 A 69 69 LEU H H 69 8.188 8.014 0.174 2
1 742 . 1 1 A 69 69 LEU HA H 69 4.372 4.597 -0.225 2
1 752 . 1 1 A 69 69 LEU C C 69 176.013 177.652 -1.639 2
1 753 . 1 1 A 69 69 LEU CA C 69 54.682 54.380 0.302 2
1 754 . 1 1 A 69 69 LEU CB C 69 43.238 43.017 0.221 2
1 758 . 1 1 A 69 69 LEU N N 69 122.935 122.531 0.404 2
1 759 . 1 1 A 70 70 ASP H H 70 8.382 8.815 -0.433 2
1 760 . 1 1 A 70 70 ASP HA H 70 4.123 4.369 -0.246 2
1 763 . 1 1 A 70 70 ASP C C 70 175.200 176.046 -0.846 2
1 764 . 1 1 A 70 70 ASP CA C 70 54.558 56.564 -2.006 2
1 765 . 1 1 A 70 70 ASP CB C 70 40.634 40.875 -0.241 2
1 766 . 1 1 A 70 70 ASP N N 70 119.400 122.102 -2.702 2
1 767 . 1 1 A 71 71 SER H H 71 7.391 7.354 0.037 2
1 768 . 1 1 A 71 71 SER HA H 71 4.233 4.393 -0.160 2
1 771 . 1 1 A 71 71 SER C C 71 174.294 174.584 -0.290 2
1 772 . 1 1 A 71 71 SER CA C 71 58.017 57.417 0.600 2
1 773 . 1 1 A 71 71 SER CB C 71 63.430 65.031 -1.602 2
1 774 . 1 1 A 71 71 SER N N 71 114.807 112.386 2.421 2
1 775 . 1 1 A 72 72 GLY H H 72 7.981 8.226 -0.245 2
1 776 . 1 1 A 72 72 GLY HA2 H 72 3.702 3.619 0.083 2
1 777 . 1 1 A 72 72 GLY HA3 H 72 3.610 3.742 -0.132 2
1 778 . 1 1 A 72 72 GLY C C 72 172.912 173.749 -0.837 2
1 779 . 1 1 A 72 72 GLY CA C 72 44.675 46.047 -1.372 2
1 780 . 1 1 A 72 72 GLY N N 72 108.675 110.586 -1.911 2
1 781 . 1 1 A 73 73 HIS H H 73 8.462 7.998 0.464 2
1 782 . 1 1 A 73 73 HIS HA H 73 4.859 5.164 -0.305 2
1 787 . 1 1 A 73 73 HIS C C 73 174.804 174.027 0.777 2
1 788 . 1 1 A 73 73 HIS CA C 73 54.700 54.615 0.085 2
1 789 . 1 1 A 73 73 HIS CB C 73 28.762 30.611 -1.849 2
1 792 . 1 1 A 73 73 HIS N N 73 122.843 117.826 5.017 2
1 793 . 1 1 A 74 74 VAL H H 74 7.682 8.802 -1.120 2
1 794 . 1 1 A 74 74 VAL HA H 74 5.402 4.758 0.644 2
1 802 . 1 1 A 74 74 VAL C C 74 176.121 173.711 2.410 2
1 803 . 1 1 A 74 74 VAL CA C 74 61.246 60.245 1.001 2
1 804 . 1 1 A 74 74 VAL CB C 74 35.383 35.649 -0.266 2
1 807 . 1 1 A 74 74 VAL N N 74 120.824 121.709 -0.885 2
1 808 . 1 1 A 75 75 TRP H H 75 9.581 8.403 1.178 2
1 809 . 1 1 A 75 75 TRP HA H 75 5.342 5.943 -0.601 2
1 818 . 1 1 A 75 75 TRP C C 75 171.123 173.525 -2.402 2
1 819 . 1 1 A 75 75 TRP CA C 75 57.046 54.669 2.377 2
1 820 . 1 1 A 75 75 TRP CB C 75 32.834 33.152 -0.318 2
1 826 . 1 1 A 75 75 TRP N N 75 124.656 124.380 0.276 2
1 828 . 1 1 A 76 76 LYS H H 76 9.557 9.256 0.301 2
1 829 . 1 1 A 76 76 LYS HA H 76 5.192 4.689 0.503 2
1 838 . 1 1 A 76 76 LYS C C 76 174.801 174.902 -0.101 2
1 839 . 1 1 A 76 76 LYS CA C 76 54.876 54.980 -0.104 2
1 840 . 1 1 A 76 76 LYS CB C 76 36.740 34.353 2.387 2
1 844 . 1 1 A 76 76 LYS N N 76 121.724 121.332 0.392 2
1 845 . 1 1 A 77 77 LEU H H 77 8.957 8.703 0.254 2
1 846 . 1 1 A 77 77 LEU HA H 77 5.272 5.301 -0.029 2
1 856 . 1 1 A 77 77 LEU C C 77 174.927 175.101 -0.174 2
1 857 . 1 1 A 77 77 LEU CA C 77 54.046 54.080 -0.034 2
1 858 . 1 1 A 77 77 LEU CB C 77 46.281 44.641 1.640 2
1 862 . 1 1 A 77 77 LEU N N 77 124.578 125.937 -1.359 2
1 863 . 1 1 A 78 78 GLN H H 78 8.629 8.757 -0.128 2
1 864 . 1 1 A 78 78 GLN HA H 78 5.308 5.431 -0.123 2
1 871 . 1 1 A 78 78 GLN C C 78 174.564 174.751 -0.187 2
1 872 . 1 1 A 78 78 GLN CA C 78 54.452 54.478 -0.026 2
1 873 . 1 1 A 78 78 GLN CB C 78 32.833 31.436 1.397 2
1 875 . 1 1 A 78 78 GLN N N 78 121.344 125.258 -3.914 2
1 877 . 1 1 A 79 79 TRP H H 79 8.601 8.419 0.182 2
1 878 . 1 1 A 79 79 TRP HA H 79 5.003 4.992 0.011 2
1 887 . 1 1 A 79 79 TRP C C 79 173.001 174.105 -1.104 2
1 888 . 1 1 A 79 79 TRP CA C 79 56.323 56.683 -0.360 2
1 889 . 1 1 A 79 79 TRP CB C 79 32.258 31.503 0.755 2
1 895 . 1 1 A 79 79 TRP N N 79 128.274 123.808 4.466 2
1 897 . 1 1 A 80 80 ALA H H 80 9.181 9.316 -0.135 2
1 898 . 1 1 A 80 80 ALA HA H 80 3.933 3.911 0.022 2
1 902 . 1 1 A 80 80 ALA C C 80 177.360 176.346 1.014 2
1 903 . 1 1 A 80 80 ALA CA C 80 54.222 53.216 1.006 2
1 904 . 1 1 A 80 80 ALA CB C 80 17.329 17.200 0.129 2
1 905 . 1 1 A 80 80 ALA N N 80 126.348 121.587 4.761 2
1 906 . 1 1 A 81 81 LYS H H 81 8.163 8.394 -0.231 2
1 907 . 1 1 A 81 81 LYS HA H 81 4.290 3.720 0.570 2
1 916 . 1 1 A 81 81 LYS C C 81 176.068 174.652 1.416 2
1 917 . 1 1 A 81 81 LYS CA C 81 56.305 57.374 -1.069 2
1 918 . 1 1 A 81 81 LYS CB C 81 31.312 29.583 1.729 2
1 922 . 1 1 A 81 81 LYS N N 81 120.289 108.015 12.274 2
1 923 . 1 1 A 82 82 GLN H H 82 8.423 7.616 0.807 2
1 924 . 1 1 A 82 82 GLN HA H 82 4.255 4.725 -0.470 2
1 931 . 1 1 A 82 82 GLN C C 82 174.996 174.087 0.909 2
1 932 . 1 1 A 82 82 GLN CA C 82 54.805 53.772 1.033 2
1 933 . 1 1 A 82 82 GLN CB C 82 30.942 32.192 -1.250 2
1 935 . 1 1 A 82 82 GLN N N 82 119.918 116.657 3.261 2
1 937 . 1 1 A 83 83 SER H H 83 7.683 8.144 -0.461 2
1 938 . 1 1 A 83 83 SER HA H 83 4.991 5.438 -0.447 2
1 941 . 1 1 A 83 83 SER C C 83 171.947 172.492 -0.545 2
1 942 . 1 1 A 83 83 SER CA C 83 57.629 57.400 0.229 2
1 943 . 1 1 A 83 83 SER CB C 83 64.664 65.528 -0.864 2
1 944 . 1 1 A 83 83 SER N N 83 115.649 112.623 3.026 2
1 945 . 1 1 A 84 84 TRP H H 84 8.665 8.928 -0.263 2
1 946 . 1 1 A 84 84 TRP HA H 84 4.714 5.057 -0.343 2
1 955 . 1 1 A 84 84 TRP C C 84 174.105 174.727 -0.623 2
1 956 . 1 1 A 84 84 TRP CA C 84 56.834 56.085 0.749 2
1 957 . 1 1 A 84 84 TRP CB C 84 33.368 33.544 -0.176 2
1 963 . 1 1 A 84 84 TRP N N 84 122.334 124.180 -1.846 2
1 965 . 1 1 A 85 85 TYR H H 85 9.220 8.952 0.268 2
1 966 . 1 1 A 85 85 TYR HA H 85 5.209 5.182 0.027 2
1 973 . 1 1 A 85 85 TYR C C 85 175.136 174.968 0.168 2
1 974 . 1 1 A 85 85 TYR CA C 85 56.993 56.854 0.139 2
1 975 . 1 1 A 85 85 TYR CB C 85 41.058 40.606 0.452 2
1 980 . 1 1 A 85 85 TYR N N 85 117.934 121.528 -3.595 2
1 981 . 1 1 A 86 86 LEU H H 86 8.662 8.775 -0.113 2
1 982 . 1 1 A 86 86 LEU HA H 86 5.172 4.708 0.464 2
1 992 . 1 1 A 86 86 LEU C C 86 174.454 174.782 -0.328 2
1 993 . 1 1 A 86 86 LEU CA C 86 53.587 53.259 0.328 2
1 994 . 1 1 A 86 86 LEU CB C 86 43.773 42.354 1.419 2
1 998 . 1 1 A 86 86 LEU N N 86 121.945 124.253 -2.308 2
1 999 . 1 1 A 87 87 SER H H 87 8.642 8.550 0.092 2
1 1000 . 1 1 A 87 87 SER HA H 87 4.995 4.968 0.028 2
1 1003 . 1 1 A 87 87 SER C C 87 173.683 173.544 0.139 2
1 1004 . 1 1 A 87 87 SER CA C 87 55.052 57.026 -1.974 2
1 1005 . 1 1 A 87 87 SER CB C 87 65.487 64.466 1.021 2
1 1006 . 1 1 A 87 87 SER N N 87 111.719 120.909 -9.190 2
1 1007 . 1 1 A 88 88 ALA H H 88 8.472 8.730 -0.258 2
1 1008 . 1 1 A 88 88 ALA HA H 88 5.184 4.814 0.370 2
1 1012 . 1 1 A 88 88 ALA C C 88 178.012 178.054 -0.042 2
1 1013 . 1 1 A 88 88 ALA CA C 88 49.423 50.205 -0.782 2
1 1014 . 1 1 A 88 88 ALA CB C 88 22.919 22.109 0.810 2
1 1015 . 1 1 A 88 88 ALA N N 88 126.939 127.165 -0.226 2
1 1016 . 1 1 A 89 89 SER H H 89 8.182 8.697 -0.515 2
1 1017 . 1 1 A 89 89 SER HA H 89 4.274 4.237 0.037 2
1 1020 . 1 1 A 89 89 SER C C 89 174.039 174.225 -0.186 2
1 1021 . 1 1 A 89 89 SER CA C 89 60.135 61.533 -1.398 2
1 1022 . 1 1 A 89 89 SER CB C 89 63.571 63.150 0.421 2
1 1023 . 1 1 A 89 89 SER N N 89 111.359 116.620 -5.261 2
1 1024 . 1 1 A 90 90 SER H H 90 7.392 7.761 -0.369 2
1 1025 . 1 1 A 90 90 SER HA H 90 4.383 4.251 0.132 2
1 1028 . 1 1 A 90 90 SER C C 90 173.114 173.723 -0.609 2
1 1029 . 1 1 A 90 90 SER CA C 90 56.023 56.909 -0.886 2
1 1030 . 1 1 A 90 90 SER CB C 90 67.108 65.343 1.766 2
1 1031 . 1 1 A 90 90 SER N N 90 113.112 111.701 1.411 2
1 1032 . 1 1 A 91 91 ALA H H 91 8.532 7.948 0.584 2
1 1033 . 1 1 A 91 91 ALA HA H 91 3.763 3.954 -0.191 2
1 1037 . 1 1 A 91 91 ALA C C 91 179.816 179.570 0.246 2
1 1038 . 1 1 A 91 91 ALA CA C 91 54.699 55.284 -0.585 2
1 1039 . 1 1 A 91 91 ALA CB C 91 18.111 18.131 -0.020 2
1 1040 . 1 1 A 91 91 ALA N N 91 123.767 123.850 -0.083 2
1 1041 . 1 1 A 92 92 GLU H H 92 8.766 8.121 0.645 2
1 1042 . 1 1 A 92 92 GLU HA H 92 3.942 4.020 -0.078 2
1 1047 . 1 1 A 92 92 GLU C C 92 179.568 178.731 0.837 2
1 1048 . 1 1 A 92 92 GLU CA C 92 60.206 59.428 0.778 2
1 1049 . 1 1 A 92 92 GLU CB C 92 28.721 29.294 -0.573 2
1 1051 . 1 1 A 92 92 GLU N N 92 118.712 118.160 0.552 2
1 1052 . 1 1 A 93 93 LEU H H 93 7.852 7.959 -0.107 2
1 1053 . 1 1 A 93 93 LEU HA H 93 4.274 4.206 0.068 2
1 1063 . 1 1 A 93 93 LEU C C 93 178.805 178.597 0.208 2
1 1064 . 1 1 A 93 93 LEU CA C 93 57.382 57.115 0.267 2
1 1065 . 1 1 A 93 93 LEU CB C 93 43.115 41.516 1.599 2
1 1069 . 1 1 A 93 93 LEU N N 93 121.212 121.384 -0.172 2
1 1070 . 1 1 A 94 94 GLN H H 94 8.080 8.441 -0.361 2
1 1071 . 1 1 A 94 94 GLN HA H 94 3.843 4.316 -0.473 2
1 1078 . 1 1 A 94 94 GLN C C 94 176.960 178.102 -1.142 2
1 1079 . 1 1 A 94 94 GLN CA C 94 59.694 59.026 0.668 2
1 1080 . 1 1 A 94 94 GLN CB C 94 28.063 28.751 -0.688 2
1 1082 . 1 1 A 94 94 GLN N N 94 120.439 119.206 1.233 2
1 1084 . 1 1 A 95 95 GLN H H 95 8.293 8.092 0.201 2
1 1085 . 1 1 A 95 95 GLN HA H 95 3.779 4.069 -0.290 2
1 1092 . 1 1 A 95 95 GLN C C 95 177.938 178.094 -0.156 2
1 1093 . 1 1 A 95 95 GLN CA C 95 59.005 58.770 0.235 2
1 1094 . 1 1 A 95 95 GLN CB C 95 27.610 28.558 -0.948 2
1 1096 . 1 1 A 95 95 GLN N N 95 117.408 118.107 -0.699 2
1 1098 . 1 1 A 96 96 GLN H H 96 7.731 7.905 -0.174 2
1 1099 . 1 1 A 96 96 GLN HA H 96 3.966 4.020 -0.054 2
1 1106 . 1 1 A 96 96 GLN C C 96 179.685 177.477 2.208 2
1 1107 . 1 1 A 96 96 GLN CA C 96 58.987 58.035 0.952 2
1 1108 . 1 1 A 96 96 GLN CB C 96 28.433 28.028 0.405 2
1 1110 . 1 1 A 96 96 GLN N N 96 119.621 117.213 2.408 2
1 1112 . 1 1 A 97 97 TRP H H 97 8.410 7.249 1.161 2
1 1113 . 1 1 A 97 97 TRP HA H 97 3.792 4.419 -0.627 2
1 1122 . 1 1 A 97 97 TRP C C 97 178.515 178.775 -0.260 2
1 1123 . 1 1 A 97 97 TRP CA C 97 61.670 59.610 2.060 2
1 1124 . 1 1 A 97 97 TRP CB C 97 29.972 29.916 0.056 2
1 1130 . 1 1 A 97 97 TRP N N 97 121.370 119.976 1.394 2
1 1132 . 1 1 A 98 98 LEU H H 98 8.505 8.076 0.429 2
1 1133 . 1 1 A 98 98 LEU HA H 98 3.485 3.531 -0.046 2
1 1143 . 1 1 A 98 98 LEU C C 98 180.194 178.857 1.337 2
1 1144 . 1 1 A 98 98 LEU CA C 98 58.706 57.908 0.798 2
1 1145 . 1 1 A 98 98 LEU CB C 98 41.141 41.329 -0.188 2
1 1149 . 1 1 A 98 98 LEU N N 98 119.038 120.023 -0.985 2
1 1150 . 1 1 A 99 99 GLU H H 99 8.241 8.422 -0.181 2
1 1151 . 1 1 A 99 99 GLU HA H 99 3.927 4.025 -0.098 2
1 1156 . 1 1 A 99 99 GLU C C 99 179.082 179.002 0.080 2
1 1157 . 1 1 A 99 99 GLU CA C 99 59.587 59.214 0.373 2
1 1158 . 1 1 A 99 99 GLU CB C 99 29.296 29.372 -0.076 2
1 1160 . 1 1 A 99 99 GLU N N 99 119.886 117.742 2.144 2
1 1161 . 1 1 A 100 100 THR H H 100 7.780 7.646 0.134 2
1 1162 . 1 1 A 100 100 THR HA H 100 3.862 3.920 -0.058 2
1 1167 . 1 1 A 100 100 THR C C 100 176.899 176.483 0.416 2
1 1168 . 1 1 A 100 100 THR CA C 100 67.088 67.081 0.007 2
1 1169 . 1 1 A 100 100 THR CB C 100 68.178 68.365 -0.187 2
1 1171 . 1 1 A 100 100 THR N N 100 116.913 115.825 1.088 2
1 1172 . 1 1 A 101 101 LEU H H 101 9.159 8.237 0.922 2
1 1173 . 1 1 A 101 101 LEU HA H 101 3.993 3.897 0.096 2
1 1183 . 1 1 A 101 101 LEU C C 101 178.416 179.046 -0.630 2
1 1184 . 1 1 A 101 101 LEU CA C 101 58.017 57.974 0.044 2
1 1185 . 1 1 A 101 101 LEU CB C 101 42.004 41.692 0.312 2
1 1189 . 1 1 A 101 101 LEU N N 101 121.065 120.867 0.198 2
1 1190 . 1 1 A 102 102 SER H H 102 7.978 8.302 -0.324 2
1 1191 . 1 1 A 102 102 SER HA H 102 4.094 4.065 0.029 2
1 1194 . 1 1 A 102 102 SER C C 102 176.370 176.827 -0.457 2
1 1195 . 1 1 A 102 102 SER CA C 102 61.794 61.800 -0.006 2
1 1196 . 1 1 A 102 102 SER CB C 102 62.855 62.768 0.087 2
1 1197 . 1 1 A 102 102 SER N N 102 112.923 113.496 -0.573 2
1 1198 . 1 1 A 103 103 THR H H 103 7.683 8.384 -0.701 2
1 1199 . 1 1 A 103 103 THR HA H 103 4.020 3.850 0.170 2
1 1204 . 1 1 A 103 103 THR C C 103 176.061 176.618 -0.557 2
1 1205 . 1 1 A 103 103 THR CA C 103 65.412 66.407 -0.995 2
1 1206 . 1 1 A 103 103 THR CB C 103 68.918 68.528 0.390 2
1 1208 . 1 1 A 103 103 THR N N 103 116.420 116.671 -0.251 2
1 1209 . 1 1 A 104 104 ALA H H 104 7.760 7.960 -0.200 2
1 1210 . 1 1 A 104 104 ALA HA H 104 4.272 4.094 0.178 2
1 1214 . 1 1 A 104 104 ALA C C 104 178.160 178.827 -0.667 2
1 1215 . 1 1 A 104 104 ALA CA C 104 54.011 54.422 -0.411 2
1 1216 . 1 1 A 104 104 ALA CB C 104 20.155 18.533 1.622 2
1 1217 . 1 1 A 104 104 ALA N N 104 123.981 123.238 0.743 2
1 1218 . 1 1 A 105 105 ALA H H 105 7.824 8.008 -0.184 2
1 1219 . 1 1 A 105 105 ALA HA H 105 4.092 4.287 -0.195 2
1 1223 . 1 1 A 105 105 ALA C C 105 177.657 177.406 0.251 2
1 1224 . 1 1 A 105 105 ALA CA C 105 53.058 53.412 -0.354 2
1 1225 . 1 1 A 105 105 ALA CB C 105 19.067 18.956 0.111 2
1 1226 . 1 1 A 105 105 ALA N N 105 118.227 119.477 -1.250 2
1 1227 . 1 1 A 106 106 HIS H H 106 7.675 7.878 -0.203 2
1 1228 . 1 1 A 106 106 HIS HA H 106 4.703 4.760 -0.057 2
1 1233 . 1 1 A 106 106 HIS C C 106 175.296 174.736 0.560 2
1 1234 . 1 1 A 106 106 HIS CA C 106 56.287 55.422 0.865 2
1 1235 . 1 1 A 106 106 HIS CB C 106 30.407 30.618 -0.211 2
1 1238 . 1 1 A 106 106 HIS N N 106 115.860 115.044 0.816 2
1 1239 . 1 1 A 107 107 SER H H 107 8.015 8.558 -0.543 2
1 1240 . 1 1 A 107 107 SER HA H 107 4.560 4.433 0.127 2
1 1243 . 1 1 A 107 107 SER C C 107 174.345 174.635 -0.290 2
1 1244 . 1 1 A 107 107 SER CA C 107 58.546 58.928 -0.382 2
1 1245 . 1 1 A 107 107 SER CB C 107 64.130 64.131 -0.001 2
1 1246 . 1 1 A 107 107 SER N N 107 116.310 117.317 -1.007 2
1 1247 . 1 1 A 108 108 GLY H H 108 8.282 8.157 0.125 2
1 1248 . 1 1 A 108 108 GLY HA2 H 108 4.213 4.020 0.193 2
1 1249 . 1 1 A 108 108 GLY HA3 H 108 4.042 4.047 -0.005 2
1 1250 . 1 1 A 108 108 GLY C C 108 171.750 173.870 -2.120 2
1 1251 . 1 1 A 108 108 GLY CA C 108 44.640 45.738 -1.098 2
1 1252 . 1 1 A 108 108 GLY N N 108 110.511 110.314 0.197 2
1 1253 . 1 1 A 109 109 PRO HA H 109 4.497 4.543 -0.046 2
1 1260 . 1 1 A 109 109 PRO C C 109 177.419 176.424 0.995 2
1 1261 . 1 1 A 109 109 PRO CA C 109 63.241 63.351 -0.110 2
1 1262 . 1 1 A 109 109 PRO CB C 109 32.264 31.899 0.365 2
1 1265 . 1 1 A 110 110 SER H H 110 8.558 8.370 0.188 2
1 1266 . 1 1 A 110 110 SER C C 110 174.715 173.885 0.830 2
1 1267 . 1 1 A 110 110 SER CA C 110 58.335 58.411 -0.076 2
1 1268 . 1 1 A 110 110 SER CB C 110 63.759 64.188 -0.429 2
1 1269 . 1 1 A 110 110 SER N N 110 116.470 116.438 0.032 2
1 1270 . 1 1 A 111 111 SER H H 111 8.357 8.368 -0.011 2
1 1271 . 1 1 A 111 111 SER C C 111 173.931 174.488 -0.557 2
1 1272 . 1 1 A 111 111 SER CA C 111 58.335 58.200 0.135 2
stop_
save_