data_16153_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16153
_Entry.PDB_ID 2KEL
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 10
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 130 . 1 1 1 A 12 12 GLN H H 12 8.154 7.592 0.562 1
1 131 . 1 1 1 A 12 12 GLN HA H 12 4.247 4.309 -0.062 1
1 136 . 1 1 1 A 12 12 GLN C C 12 175.800 176.035 -0.235 1
1 137 . 1 1 1 A 12 12 GLN CA C 12 56.670 56.021 0.649 1
1 138 . 1 1 1 A 12 12 GLN CB C 12 33.855 29.050 4.805 1
1 140 . 1 1 1 A 12 12 GLN N N 12 121.590 120.159 1.431 1
1 141 . 1 1 1 A 13 13 LYS H H 13 8.408 8.765 -0.357 1
1 142 . 1 1 1 A 13 13 LYS HA H 13 4.538 5.088 -0.550 1
1 151 . 1 1 1 A 13 13 LYS C C 13 175.500 175.309 0.191 1
1 152 . 1 1 1 A 13 13 LYS CA C 13 55.500 54.829 0.671 1
1 153 . 1 1 1 A 13 13 LYS CB C 13 34.580 34.837 -0.257 1
1 157 . 1 1 1 A 13 13 LYS N N 13 121.913 122.490 -0.577 1
1 158 . 1 1 1 A 14 14 ALA H H 14 8.771 8.669 0.102 1
1 159 . 1 1 1 A 14 14 ALA HA H 14 4.581 5.087 -0.506 1
1 163 . 1 1 1 A 14 14 ALA C C 14 176.100 175.308 0.792 1
1 164 . 1 1 1 A 14 14 ALA CA C 14 51.250 50.767 0.483 1
1 165 . 1 1 1 A 14 14 ALA CB C 14 21.540 24.328 -2.788 1
1 166 . 1 1 1 A 14 14 ALA N N 14 124.191 121.267 2.924 1
1 167 . 1 1 1 A 15 15 VAL H H 15 8.287 8.662 -0.375 1
1 168 . 1 1 1 A 15 15 VAL HA H 15 4.405 5.080 -0.675 1
1 176 . 1 1 1 A 15 15 VAL C C 15 175.300 175.133 0.167 1
1 177 . 1 1 1 A 15 15 VAL CA C 15 61.530 60.575 0.955 1
1 178 . 1 1 1 A 15 15 VAL CB C 15 32.980 34.506 -1.526 1
1 181 . 1 1 1 A 15 15 VAL N N 15 121.035 118.769 2.266 1
1 182 . 1 1 1 A 16 16 PHE H H 16 8.757 8.892 -0.135 1
1 183 . 1 1 1 A 16 16 PHE HA H 16 4.770 5.076 -0.306 1
1 191 . 1 1 1 A 16 16 PHE C C 16 173.200 173.624 -0.424 1
1 192 . 1 1 1 A 16 16 PHE CA C 16 56.180 56.563 -0.383 1
1 193 . 1 1 1 A 16 16 PHE CB C 16 40.820 42.288 -1.468 1
1 198 . 1 1 1 A 16 16 PHE N N 16 126.504 126.092 0.412 1
1 199 . 1 1 1 A 17 17 GLY H H 17 8.305 8.552 -0.247 1
1 200 . 1 1 1 A 17 17 GLY HA2 H 17 4.342 4.006 0.336 1
1 201 . 1 1 1 A 17 17 GLY HA3 H 17 3.240 4.014 -0.774 1
1 202 . 1 1 1 A 17 17 GLY C C 17 172.682 172.165 0.517 1
1 203 . 1 1 1 A 17 17 GLY CA C 17 45.070 44.777 0.293 1
1 204 . 1 1 1 A 17 17 GLY N N 17 111.670 111.661 0.009 1
1 205 . 1 1 1 A 18 18 ILE H H 18 8.375 8.627 -0.252 1
1 206 . 1 1 1 A 18 18 ILE HA H 18 4.245 4.722 -0.477 1
1 216 . 1 1 1 A 18 18 ILE C C 18 173.700 173.778 -0.078 1
1 217 . 1 1 1 A 18 18 ILE CA C 18 59.240 58.452 0.788 1
1 218 . 1 1 1 A 18 18 ILE CB C 18 40.310 41.522 -1.212 1
1 222 . 1 1 1 A 18 18 ILE N N 18 120.812 120.772 0.040 1
1 223 . 1 1 1 A 19 19 TYR H H 19 8.293 8.570 -0.277 1
1 224 . 1 1 1 A 19 19 TYR HA H 19 4.942 4.998 -0.056 1
1 231 . 1 1 1 A 19 19 TYR C C 19 174.900 175.634 -0.734 1
1 232 . 1 1 1 A 19 19 TYR CA C 19 56.730 56.593 0.137 1
1 233 . 1 1 1 A 19 19 TYR CB C 19 39.200 38.668 0.532 1
1 238 . 1 1 1 A 19 19 TYR N N 19 123.869 121.237 2.632 1
1 239 . 1 1 1 A 20 20 MET H H 20 8.513 8.629 -0.116 1
1 240 . 1 1 1 A 20 20 MET HA H 20 4.727 5.406 -0.679 1
1 248 . 1 1 1 A 20 20 MET C C 20 174.100 176.061 -1.961 1
1 249 . 1 1 1 A 20 20 MET CA C 20 54.350 53.019 1.331 1
1 250 . 1 1 1 A 20 20 MET CB C 20 37.450 35.569 1.881 1
1 253 . 1 1 1 A 20 20 MET N N 20 120.765 121.996 -1.231 1
1 254 . 1 1 1 A 21 21 ASP H H 21 9.139 8.692 0.447 1
1 255 . 1 1 1 A 21 21 ASP HA H 21 4.418 4.614 -0.196 1
1 258 . 1 1 1 A 21 21 ASP C C 21 176.600 177.124 -0.524 1
1 259 . 1 1 1 A 21 21 ASP CA C 21 55.560 54.749 0.811 1
1 260 . 1 1 1 A 21 21 ASP CB C 21 42.910 41.611 1.299 1
1 261 . 1 1 1 A 21 21 ASP N N 21 125.274 120.269 5.005 1
1 262 . 1 1 1 A 22 22 LYS H H 22 8.821 8.745 0.076 1
1 263 . 1 1 1 A 22 22 LYS HA H 22 3.851 3.992 -0.141 1
1 272 . 1 1 1 A 22 22 LYS C C 22 178.200 177.687 0.513 1
1 273 . 1 1 1 A 22 22 LYS CA C 22 60.170 59.465 0.705 1
1 274 . 1 1 1 A 22 22 LYS CB C 22 32.780 32.291 0.489 1
1 278 . 1 1 1 A 22 22 LYS N N 22 126.689 123.713 2.976 1
1 279 . 1 1 1 A 23 23 ASP H H 23 8.421 8.200 0.221 1
1 280 . 1 1 1 A 23 23 ASP HA H 23 4.454 4.312 0.142 1
1 283 . 1 1 1 A 23 23 ASP C C 23 178.700 178.349 0.351 1
1 284 . 1 1 1 A 23 23 ASP CA C 23 57.310 57.567 -0.257 1
1 285 . 1 1 1 A 23 23 ASP CB C 23 40.200 42.031 -1.831 1
1 286 . 1 1 1 A 23 23 ASP N N 23 120.894 119.511 1.383 1
1 287 . 1 1 1 A 24 24 LEU H H 24 8.079 7.852 0.227 1
1 288 . 1 1 1 A 24 24 LEU HA H 24 4.029 4.081 -0.052 1
1 298 . 1 1 1 A 24 24 LEU C C 24 177.900 178.235 -0.335 1
1 299 . 1 1 1 A 24 24 LEU CA C 24 57.460 58.002 -0.542 1
1 300 . 1 1 1 A 24 24 LEU CB C 24 42.000 41.803 0.197 1
1 304 . 1 1 1 A 24 24 LEU N N 24 123.406 120.341 3.065 1
1 305 . 1 1 1 A 25 25 LYS H H 25 7.976 8.034 -0.058 1
1 306 . 1 1 1 A 25 25 LYS HA H 25 3.666 4.039 -0.373 1
1 315 . 1 1 1 A 25 25 LYS C C 25 178.200 178.986 -0.786 1
1 316 . 1 1 1 A 25 25 LYS CA C 25 60.350 59.352 0.998 1
1 317 . 1 1 1 A 25 25 LYS CB C 25 31.870 32.045 -0.175 1
1 321 . 1 1 1 A 25 25 LYS N N 25 119.319 118.867 0.452 1
1 322 . 1 1 1 A 26 26 THR H H 26 8.193 8.514 -0.321 1
1 323 . 1 1 1 A 26 26 THR HA H 26 3.803 3.988 -0.185 1
1 328 . 1 1 1 A 26 26 THR C C 26 175.400 176.413 -1.013 1
1 329 . 1 1 1 A 26 26 THR CA C 26 67.110 66.421 0.689 1
1 330 . 1 1 1 A 26 26 THR CB C 26 68.520 68.520 0.000 1
1 332 . 1 1 1 A 26 26 THR N N 26 116.606 117.266 -0.660 1
1 333 . 1 1 1 A 27 27 ARG H H 27 8.032 8.303 -0.271 1
1 334 . 1 1 1 A 27 27 ARG HA H 27 3.986 4.085 -0.099 1
1 342 . 1 1 1 A 27 27 ARG C C 27 179.900 178.580 1.320 1
1 343 . 1 1 1 A 27 27 ARG CA C 27 59.730 59.600 0.130 1
1 344 . 1 1 1 A 27 27 ARG CB C 27 31.850 29.845 2.005 1
1 347 . 1 1 1 A 27 27 ARG N N 27 121.054 121.101 -0.047 1
1 349 . 1 1 1 A 28 28 LEU H H 28 8.485 7.934 0.551 1
1 350 . 1 1 1 A 28 28 LEU HA H 28 4.270 4.156 0.114 1
1 360 . 1 1 1 A 28 28 LEU C C 28 178.000 178.450 -0.450 1
1 361 . 1 1 1 A 28 28 LEU CA C 28 58.090 57.668 0.422 1
1 362 . 1 1 1 A 28 28 LEU CB C 28 42.020 41.941 0.079 1
1 366 . 1 1 1 A 28 28 LEU N N 28 121.174 120.897 0.277 1
1 367 . 1 1 1 A 29 29 LYS H H 29 8.699 8.199 0.500 1
1 368 . 1 1 1 A 29 29 LYS HA H 29 3.899 4.042 -0.143 1
1 377 . 1 1 1 A 29 29 LYS C C 29 179.700 178.966 0.734 1
1 378 . 1 1 1 A 29 29 LYS CA C 29 60.760 59.617 1.143 1
1 379 . 1 1 1 A 29 29 LYS CB C 29 31.950 32.167 -0.217 1
1 383 . 1 1 1 A 29 29 LYS N N 29 121.221 119.674 1.547 1
1 384 . 1 1 1 A 30 30 VAL H H 30 8.616 7.863 0.753 1
1 385 . 1 1 1 A 30 30 VAL HA H 30 3.740 3.657 0.083 1
1 393 . 1 1 1 A 30 30 VAL C C 30 178.100 177.642 0.458 1
1 394 . 1 1 1 A 30 30 VAL CA C 30 66.610 65.799 0.811 1
1 395 . 1 1 1 A 30 30 VAL CB C 30 32.040 31.430 0.610 1
1 398 . 1 1 1 A 30 30 VAL N N 30 121.029 119.456 1.573 1
1 399 . 1 1 1 A 31 31 TYR H H 31 7.998 8.218 -0.220 1
1 400 . 1 1 1 A 31 31 TYR HA H 31 4.029 4.076 -0.047 1
1 407 . 1 1 1 A 31 31 TYR C C 31 179.000 177.864 1.136 1
1 408 . 1 1 1 A 31 31 TYR CA C 31 62.830 61.843 0.987 1
1 409 . 1 1 1 A 31 31 TYR CB C 31 39.040 38.588 0.452 1
1 414 . 1 1 1 A 31 31 TYR N N 31 121.235 121.023 0.212 1
1 415 . 1 1 1 A 32 32 CYS H H 32 8.833 8.685 0.148 1
1 416 . 1 1 1 A 32 32 CYS HA H 32 3.889 4.215 -0.326 1
1 419 . 1 1 1 A 32 32 CYS C C 32 176.800 176.622 0.178 1
1 420 . 1 1 1 A 32 32 CYS CA C 32 65.290 61.827 3.463 1
1 421 . 1 1 1 A 32 32 CYS CB C 32 26.040 26.888 -0.848 1
1 422 . 1 1 1 A 32 32 CYS N N 32 118.092 117.063 1.029 1
1 423 . 1 1 1 A 33 33 ALA H H 33 8.238 7.698 0.540 1
1 424 . 1 1 1 A 33 33 ALA HA H 33 4.215 4.091 0.124 1
1 428 . 1 1 1 A 33 33 ALA C C 33 180.900 179.494 1.406 1
1 429 . 1 1 1 A 33 33 ALA CA C 33 54.880 54.679 0.201 1
1 430 . 1 1 1 A 33 33 ALA CB C 33 18.010 18.413 -0.403 1
1 431 . 1 1 1 A 33 33 ALA N N 33 122.005 122.602 -0.597 1
1 432 . 1 1 1 A 34 34 LYS H H 34 7.883 8.047 -0.164 1
1 433 . 1 1 1 A 34 34 LYS HA H 34 4.044 4.000 0.044 1
1 442 . 1 1 1 A 34 34 LYS C C 34 177.100 178.176 -1.076 1
1 443 . 1 1 1 A 34 34 LYS CA C 34 58.490 59.246 -0.756 1
1 444 . 1 1 1 A 34 34 LYS CB C 34 32.900 32.611 0.289 1
1 448 . 1 1 1 A 34 34 LYS N N 34 117.252 118.107 -0.855 1
1 449 . 1 1 1 A 35 35 ASN H H 35 7.122 7.933 -0.811 1
1 450 . 1 1 1 A 35 35 ASN HA H 35 4.698 4.734 -0.036 1
1 455 . 1 1 1 A 35 35 ASN C C 35 172.600 174.375 -1.775 1
1 456 . 1 1 1 A 35 35 ASN CA C 35 53.490 52.600 0.890 1
1 457 . 1 1 1 A 35 35 ASN CB C 35 39.930 38.309 1.621 1
1 459 . 1 1 1 A 35 35 ASN N N 35 113.516 114.542 -1.026 1
1 461 . 1 1 1 A 36 36 ASN H H 36 7.650 7.996 -0.346 1
1 462 . 1 1 1 A 36 36 ASN HA H 36 4.364 4.462 -0.098 1
1 467 . 1 1 1 A 36 36 ASN C C 36 173.600 174.494 -0.894 1
1 468 . 1 1 1 A 36 36 ASN CA C 36 54.490 54.329 0.161 1
1 469 . 1 1 1 A 36 36 ASN CB C 36 37.050 37.437 -0.387 1
1 471 . 1 1 1 A 36 36 ASN N N 36 116.989 115.104 1.885 1
1 473 . 1 1 1 A 37 37 LEU H H 37 8.356 7.950 0.406 1
1 474 . 1 1 1 A 37 37 LEU HA H 37 4.741 4.319 0.422 1
1 484 . 1 1 1 A 37 37 LEU C C 37 177.100 176.638 0.462 1
1 485 . 1 1 1 A 37 37 LEU CA C 37 53.380 54.785 -1.405 1
1 486 . 1 1 1 A 37 37 LEU CB C 37 46.170 42.389 3.781 1
1 490 . 1 1 1 A 37 37 LEU N N 37 118.046 119.281 -1.235 1
1 491 . 1 1 1 A 38 38 GLN H H 38 8.649 8.831 -0.182 1
1 492 . 1 1 1 A 38 38 GLN HA H 38 4.436 4.377 0.059 1
1 499 . 1 1 1 A 38 38 GLN C C 38 177.400 177.128 0.272 1
1 500 . 1 1 1 A 38 38 GLN CA C 38 54.870 55.547 -0.677 1
1 501 . 1 1 1 A 38 38 GLN CB C 38 29.490 29.621 -0.131 1
1 504 . 1 1 1 A 38 38 GLN N N 38 120.404 120.520 -0.116 1
1 506 . 1 1 1 A 39 39 LEU H H 39 8.862 8.672 0.190 1
1 507 . 1 1 1 A 39 39 LEU HA H 39 4.288 4.274 0.014 1
1 517 . 1 1 1 A 39 39 LEU C C 39 178.800 178.759 0.041 1
1 518 . 1 1 1 A 39 39 LEU CA C 39 59.270 58.282 0.988 1
1 519 . 1 1 1 A 39 39 LEU CB C 39 42.190 42.268 -0.078 1
1 523 . 1 1 1 A 39 39 LEU N N 39 126.026 126.006 0.020 1
1 524 . 1 1 1 A 40 40 THR H H 40 8.408 8.152 0.256 1
1 525 . 1 1 1 A 40 40 THR HA H 40 3.819 3.847 -0.028 1
1 530 . 1 1 1 A 40 40 THR C C 40 175.700 176.409 -0.709 1
1 531 . 1 1 1 A 40 40 THR CA C 40 66.760 67.099 -0.339 1
1 532 . 1 1 1 A 40 40 THR CB C 40 68.620 68.698 -0.078 1
1 534 . 1 1 1 A 40 40 THR N N 40 110.087 114.008 -3.921 1
1 535 . 1 1 1 A 41 41 GLN H H 41 6.817 8.368 -1.551 1
1 536 . 1 1 1 A 41 41 GLN HA H 41 4.192 3.925 0.267 1
1 543 . 1 1 1 A 41 41 GLN C C 41 178.000 178.034 -0.034 1
1 544 . 1 1 1 A 41 41 GLN CA C 41 58.650 58.724 -0.074 1
1 545 . 1 1 1 A 41 41 GLN CB C 41 28.850 28.138 0.712 1
1 547 . 1 1 1 A 41 41 GLN N N 41 119.955 121.100 -1.145 1
1 549 . 1 1 1 A 42 42 ALA H H 42 7.755 7.883 -0.128 1
1 550 . 1 1 1 A 42 42 ALA HA H 42 4.002 4.142 -0.140 1
1 554 . 1 1 1 A 42 42 ALA C C 42 178.300 179.752 -1.452 1
1 555 . 1 1 1 A 42 42 ALA CA C 42 55.190 54.997 0.193 1
1 556 . 1 1 1 A 42 42 ALA CB C 42 19.570 18.271 1.299 1
1 557 . 1 1 1 A 42 42 ALA N N 42 121.978 121.766 0.212 1
1 558 . 1 1 1 A 43 43 ILE H H 43 8.118 8.146 -0.028 1
1 559 . 1 1 1 A 43 43 ILE HA H 43 3.184 3.518 -0.334 1
1 569 . 1 1 1 A 43 43 ILE C C 43 177.300 177.741 -0.441 1
1 570 . 1 1 1 A 43 43 ILE CA C 43 65.600 65.397 0.203 1
1 571 . 1 1 1 A 43 43 ILE CB C 43 37.550 37.797 -0.247 1
1 574 . 1 1 1 A 43 43 ILE N N 43 115.574 118.669 -3.095 1
1 575 . 1 1 1 A 44 44 GLU H H 44 7.990 8.436 -0.446 1
1 576 . 1 1 1 A 44 44 GLU HA H 44 3.678 3.912 -0.234 1
1 581 . 1 1 1 A 44 44 GLU C C 44 178.400 179.613 -1.213 1
1 582 . 1 1 1 A 44 44 GLU CA C 44 61.090 59.923 1.167 1
1 583 . 1 1 1 A 44 44 GLU CB C 44 29.630 29.404 0.226 1
1 585 . 1 1 1 A 44 44 GLU N N 44 118.630 119.002 -0.372 1
1 586 . 1 1 1 A 45 45 GLU H H 45 8.110 8.306 -0.196 1
1 587 . 1 1 1 A 45 45 GLU HA H 45 3.939 3.988 -0.049 1
1 592 . 1 1 1 A 45 45 GLU C C 45 178.600 179.000 -0.400 1
1 593 . 1 1 1 A 45 45 GLU CA C 45 59.650 59.588 0.062 1
1 594 . 1 1 1 A 45 45 GLU CB C 45 29.730 29.408 0.322 1
1 596 . 1 1 1 A 45 45 GLU N N 45 118.927 120.568 -1.641 1
1 597 . 1 1 1 A 46 46 ALA H H 46 8.363 8.271 0.092 1
1 598 . 1 1 1 A 46 46 ALA HA H 46 3.859 4.053 -0.194 1
1 602 . 1 1 1 A 46 46 ALA C C 46 181.500 179.545 1.955 1
1 603 . 1 1 1 A 46 46 ALA CA C 46 55.080 55.140 -0.060 1
1 604 . 1 1 1 A 46 46 ALA CB C 46 17.090 18.678 -1.588 1
1 605 . 1 1 1 A 46 46 ALA N N 46 120.991 121.864 -0.873 1
1 606 . 1 1 1 A 47 47 ILE H H 47 8.496 8.573 -0.077 1
1 607 . 1 1 1 A 47 47 ILE HA H 47 3.447 3.969 -0.522 1
1 617 . 1 1 1 A 47 47 ILE C C 47 177.000 177.621 -0.621 1
1 618 . 1 1 1 A 47 47 ILE CA C 47 65.110 62.693 2.417 1
1 619 . 1 1 1 A 47 47 ILE CB C 47 37.522 37.706 -0.184 1
1 623 . 1 1 1 A 47 47 ILE N N 47 120.499 118.119 2.380 1
1 624 . 1 1 1 A 48 48 LYS H H 48 8.546 8.168 0.378 1
1 625 . 1 1 1 A 48 48 LYS HA H 48 3.763 4.050 -0.287 1
1 634 . 1 1 1 A 48 48 LYS C C 48 179.400 179.885 -0.485 1
1 635 . 1 1 1 A 48 48 LYS CA C 48 61.430 59.714 1.716 1
1 636 . 1 1 1 A 48 48 LYS CB C 48 32.340 32.002 0.338 1
1 640 . 1 1 1 A 48 48 LYS N N 48 121.030 121.691 -0.661 1
1 641 . 1 1 1 A 49 49 GLU H H 49 8.518 8.336 0.182 1
1 642 . 1 1 1 A 49 49 GLU HA H 49 3.979 4.169 -0.190 1
1 647 . 1 1 1 A 49 49 GLU C C 49 178.400 178.552 -0.152 1
1 648 . 1 1 1 A 49 49 GLU CA C 49 60.230 58.691 1.539 1
1 649 . 1 1 1 A 49 49 GLU CB C 49 29.960 28.938 1.022 1
1 651 . 1 1 1 A 49 49 GLU N N 49 118.574 118.495 0.079 1
1 652 . 1 1 1 A 50 50 TYR H H 50 7.980 7.952 0.028 1
1 653 . 1 1 1 A 50 50 TYR HA H 50 4.160 4.239 -0.079 1
1 660 . 1 1 1 A 50 50 TYR C C 50 178.000 177.197 0.803 1
1 661 . 1 1 1 A 50 50 TYR CA C 50 60.670 61.488 -0.818 1
1 662 . 1 1 1 A 50 50 TYR CB C 50 39.550 38.504 1.046 1
1 667 . 1 1 1 A 50 50 TYR N N 50 121.810 123.270 -1.460 1
1 668 . 1 1 1 A 51 51 LEU H H 51 8.342 8.289 0.053 1
1 669 . 1 1 1 A 51 51 LEU HA H 51 3.464 3.682 -0.218 1
1 679 . 1 1 1 A 51 51 LEU C C 51 179.600 179.184 0.416 1
1 680 . 1 1 1 A 51 51 LEU CA C 51 57.140 57.743 -0.603 1
1 681 . 1 1 1 A 51 51 LEU CB C 51 41.780 41.232 0.548 1
1 685 . 1 1 1 A 51 51 LEU N N 51 117.934 119.889 -1.955 1
1 686 . 1 1 1 A 52 52 GLN H H 52 8.397 7.843 0.554 1
1 687 . 1 1 1 A 52 52 GLN HA H 52 4.052 4.005 0.047 1
1 694 . 1 1 1 A 52 52 GLN C C 52 179.500 178.634 0.866 1
1 695 . 1 1 1 A 52 52 GLN CA C 52 59.140 58.732 0.408 1
1 696 . 1 1 1 A 52 52 GLN CB C 52 28.230 28.110 0.120 1
1 699 . 1 1 1 A 52 52 GLN N N 52 120.458 117.898 2.560 1
1 701 . 1 1 1 A 53 53 LYS H H 53 7.534 7.562 -0.028 1
1 702 . 1 1 1 A 53 53 LYS HA H 53 4.038 4.057 -0.019 1
1 711 . 1 1 1 A 53 53 LYS C C 53 176.900 178.393 -1.493 1
1 712 . 1 1 1 A 53 53 LYS CA C 53 58.330 58.634 -0.304 1
1 713 . 1 1 1 A 53 53 LYS CB C 53 32.720 32.046 0.674 1
1 717 . 1 1 1 A 53 53 LYS N N 53 118.094 120.965 -2.871 1
1 718 . 1 1 1 A 54 54 ARG H H 54 6.789 7.684 -0.895 1
1 719 . 1 1 1 A 54 54 ARG HA H 54 4.155 4.238 -0.083 1
1 727 . 1 1 1 A 54 54 ARG C C 54 174.500 176.527 -2.027 1
1 728 . 1 1 1 A 54 54 ARG CA C 54 55.560 57.580 -2.020 1
1 729 . 1 1 1 A 54 54 ARG CB C 54 29.660 31.990 -2.330 1
1 732 . 1 1 1 A 54 54 ARG N N 54 116.828 118.309 -1.481 1
1 734 . 1 1 1 A 55 55 ASN H H 55 7.651 7.924 -0.273 1
1 735 . 1 1 1 A 55 55 ASN HA H 55 4.456 4.720 -0.264 1
1 740 . 1 1 1 A 55 55 ASN C C 55 174.100 176.191 -2.091 1
1 741 . 1 1 1 A 55 55 ASN CA C 55 54.760 53.860 0.900 1
1 742 . 1 1 1 A 55 55 ASN CB C 55 37.370 39.811 -2.441 1
1 744 . 1 1 1 A 55 55 ASN N N 55 115.626 113.845 1.781 1
1 130 . 2 1 1 A 12 12 GLN H H 12 8.154 8.486 -0.332 1
1 131 . 2 1 1 A 12 12 GLN HA H 12 4.247 4.601 -0.354 1
1 136 . 2 1 1 A 12 12 GLN C C 12 175.800 175.670 0.130 1
1 137 . 2 1 1 A 12 12 GLN CA C 12 56.670 55.727 0.943 1
1 138 . 2 1 1 A 12 12 GLN CB C 12 33.855 29.128 4.727 1
1 140 . 2 1 1 A 12 12 GLN N N 12 121.590 121.862 -0.272 1
1 141 . 2 1 1 A 13 13 LYS H H 13 8.408 8.914 -0.506 1
1 142 . 2 1 1 A 13 13 LYS HA H 13 4.538 5.106 -0.568 1
1 151 . 2 1 1 A 13 13 LYS C C 13 175.500 175.119 0.381 1
1 152 . 2 1 1 A 13 13 LYS CA C 13 55.500 54.630 0.870 1
1 153 . 2 1 1 A 13 13 LYS CB C 13 34.580 35.242 -0.662 1
1 157 . 2 1 1 A 13 13 LYS N N 13 121.913 123.011 -1.098 1
1 158 . 2 1 1 A 14 14 ALA H H 14 8.771 8.675 0.096 1
1 159 . 2 1 1 A 14 14 ALA HA H 14 4.581 5.180 -0.599 1
1 163 . 2 1 1 A 14 14 ALA C C 14 176.100 175.502 0.598 1
1 164 . 2 1 1 A 14 14 ALA CA C 14 51.250 50.565 0.685 1
1 165 . 2 1 1 A 14 14 ALA CB C 14 21.540 24.032 -2.492 1
1 166 . 2 1 1 A 14 14 ALA N N 14 124.191 121.752 2.439 1
1 167 . 2 1 1 A 15 15 VAL H H 15 8.287 8.576 -0.289 1
1 168 . 2 1 1 A 15 15 VAL HA H 15 4.405 4.977 -0.572 1
1 176 . 2 1 1 A 15 15 VAL C C 15 175.300 175.152 0.148 1
1 177 . 2 1 1 A 15 15 VAL CA C 15 61.530 60.689 0.841 1
1 178 . 2 1 1 A 15 15 VAL CB C 15 32.980 34.245 -1.265 1
1 181 . 2 1 1 A 15 15 VAL N N 15 121.035 118.748 2.287 1
1 182 . 2 1 1 A 16 16 PHE H H 16 8.757 8.887 -0.130 1
1 183 . 2 1 1 A 16 16 PHE HA H 16 4.770 5.068 -0.298 1
1 191 . 2 1 1 A 16 16 PHE C C 16 173.200 173.617 -0.417 1
1 192 . 2 1 1 A 16 16 PHE CA C 16 56.180 56.567 -0.387 1
1 193 . 2 1 1 A 16 16 PHE CB C 16 40.820 42.164 -1.344 1
1 198 . 2 1 1 A 16 16 PHE N N 16 126.504 126.096 0.408 1
1 199 . 2 1 1 A 17 17 GLY H H 17 8.305 8.535 -0.230 1
1 200 . 2 1 1 A 17 17 GLY HA2 H 17 4.342 3.998 0.344 1
1 201 . 2 1 1 A 17 17 GLY HA3 H 17 3.240 4.007 -0.767 1
1 202 . 2 1 1 A 17 17 GLY C C 17 172.682 172.162 0.520 1
1 203 . 2 1 1 A 17 17 GLY CA C 17 45.070 44.775 0.295 1
1 204 . 2 1 1 A 17 17 GLY N N 17 111.670 111.659 0.011 1
1 205 . 2 1 1 A 18 18 ILE H H 18 8.375 8.517 -0.142 1
1 206 . 2 1 1 A 18 18 ILE HA H 18 4.245 4.751 -0.506 1
1 216 . 2 1 1 A 18 18 ILE C C 18 173.700 174.243 -0.543 1
1 217 . 2 1 1 A 18 18 ILE CA C 18 59.240 58.297 0.943 1
1 218 . 2 1 1 A 18 18 ILE CB C 18 40.310 41.624 -1.314 1
1 222 . 2 1 1 A 18 18 ILE N N 18 120.812 120.717 0.095 1
1 223 . 2 1 1 A 19 19 TYR H H 19 8.293 8.515 -0.222 1
1 224 . 2 1 1 A 19 19 TYR HA H 19 4.942 5.024 -0.082 1
1 231 . 2 1 1 A 19 19 TYR C C 19 174.900 175.628 -0.728 1
1 232 . 2 1 1 A 19 19 TYR CA C 19 56.730 56.444 0.286 1
1 233 . 2 1 1 A 19 19 TYR CB C 19 39.200 39.398 -0.198 1
1 238 . 2 1 1 A 19 19 TYR N N 19 123.869 120.048 3.821 1
1 239 . 2 1 1 A 20 20 MET H H 20 8.513 8.743 -0.230 1
1 240 . 2 1 1 A 20 20 MET HA H 20 4.727 5.365 -0.638 1
1 248 . 2 1 1 A 20 20 MET C C 20 174.100 175.654 -1.554 1
1 249 . 2 1 1 A 20 20 MET CA C 20 54.350 52.871 1.479 1
1 250 . 2 1 1 A 20 20 MET CB C 20 37.450 35.730 1.720 1
1 253 . 2 1 1 A 20 20 MET N N 20 120.765 121.609 -0.844 1
1 254 . 2 1 1 A 21 21 ASP H H 21 9.139 8.711 0.428 1
1 255 . 2 1 1 A 21 21 ASP HA H 21 4.418 4.621 -0.203 1
1 258 . 2 1 1 A 21 21 ASP C C 21 176.600 177.077 -0.477 1
1 259 . 2 1 1 A 21 21 ASP CA C 21 55.560 54.695 0.865 1
1 260 . 2 1 1 A 21 21 ASP CB C 21 42.910 41.615 1.295 1
1 261 . 2 1 1 A 21 21 ASP N N 21 125.274 120.295 4.979 1
1 262 . 2 1 1 A 22 22 LYS H H 22 8.821 8.804 0.017 1
1 263 . 2 1 1 A 22 22 LYS HA H 22 3.851 3.942 -0.091 1
1 272 . 2 1 1 A 22 22 LYS C C 22 178.200 177.749 0.451 1
1 273 . 2 1 1 A 22 22 LYS CA C 22 60.170 59.436 0.734 1
1 274 . 2 1 1 A 22 22 LYS CB C 22 32.780 32.571 0.209 1
1 278 . 2 1 1 A 22 22 LYS N N 22 126.689 123.716 2.973 1
1 279 . 2 1 1 A 23 23 ASP H H 23 8.421 8.235 0.186 1
1 280 . 2 1 1 A 23 23 ASP HA H 23 4.454 4.340 0.114 1
1 283 . 2 1 1 A 23 23 ASP C C 23 178.700 178.313 0.387 1
1 284 . 2 1 1 A 23 23 ASP CA C 23 57.310 57.061 0.249 1
1 285 . 2 1 1 A 23 23 ASP CB C 23 40.200 41.687 -1.487 1
1 286 . 2 1 1 A 23 23 ASP N N 23 120.894 119.379 1.515 1
1 287 . 2 1 1 A 24 24 LEU H H 24 8.079 7.884 0.195 1
1 288 . 2 1 1 A 24 24 LEU HA H 24 4.029 4.153 -0.124 1
1 298 . 2 1 1 A 24 24 LEU C C 24 177.900 178.332 -0.432 1
1 299 . 2 1 1 A 24 24 LEU CA C 24 57.460 57.827 -0.367 1
1 300 . 2 1 1 A 24 24 LEU CB C 24 42.000 41.844 0.156 1
1 304 . 2 1 1 A 24 24 LEU N N 24 123.406 120.045 3.361 1
1 305 . 2 1 1 A 25 25 LYS H H 25 7.976 8.132 -0.156 1
1 306 . 2 1 1 A 25 25 LYS HA H 25 3.666 4.033 -0.367 1
1 315 . 2 1 1 A 25 25 LYS C C 25 178.200 178.943 -0.743 1
1 316 . 2 1 1 A 25 25 LYS CA C 25 60.350 59.354 0.996 1
1 317 . 2 1 1 A 25 25 LYS CB C 25 31.870 32.044 -0.174 1
1 321 . 2 1 1 A 25 25 LYS N N 25 119.319 119.028 0.291 1
1 322 . 2 1 1 A 26 26 THR H H 26 8.193 8.749 -0.556 1
1 323 . 2 1 1 A 26 26 THR HA H 26 3.803 3.989 -0.186 1
1 328 . 2 1 1 A 26 26 THR C C 26 175.400 176.412 -1.012 1
1 329 . 2 1 1 A 26 26 THR CA C 26 67.110 66.428 0.682 1
1 330 . 2 1 1 A 26 26 THR CB C 26 68.520 68.595 -0.075 1
1 332 . 2 1 1 A 26 26 THR N N 26 116.606 117.565 -0.959 1
1 333 . 2 1 1 A 27 27 ARG H H 27 8.032 8.087 -0.055 1
1 334 . 2 1 1 A 27 27 ARG HA H 27 3.986 4.050 -0.064 1
1 342 . 2 1 1 A 27 27 ARG C C 27 179.900 178.503 1.397 1
1 343 . 2 1 1 A 27 27 ARG CA C 27 59.730 59.615 0.115 1
1 344 . 2 1 1 A 27 27 ARG CB C 27 31.850 29.839 2.011 1
1 347 . 2 1 1 A 27 27 ARG N N 27 121.054 120.821 0.233 1
1 349 . 2 1 1 A 28 28 LEU H H 28 8.485 7.982 0.503 1
1 350 . 2 1 1 A 28 28 LEU HA H 28 4.270 4.153 0.117 1
1 360 . 2 1 1 A 28 28 LEU C C 28 178.000 178.456 -0.456 1
1 361 . 2 1 1 A 28 28 LEU CA C 28 58.090 57.694 0.396 1
1 362 . 2 1 1 A 28 28 LEU CB C 28 42.020 41.973 0.047 1
1 366 . 2 1 1 A 28 28 LEU N N 28 121.174 120.869 0.305 1
1 367 . 2 1 1 A 29 29 LYS H H 29 8.699 8.238 0.461 1
1 368 . 2 1 1 A 29 29 LYS HA H 29 3.899 4.055 -0.156 1
1 377 . 2 1 1 A 29 29 LYS C C 29 179.700 179.012 0.688 1
1 378 . 2 1 1 A 29 29 LYS CA C 29 60.760 59.691 1.069 1
1 379 . 2 1 1 A 29 29 LYS CB C 29 31.950 31.980 -0.030 1
1 383 . 2 1 1 A 29 29 LYS N N 29 121.221 119.811 1.410 1
1 384 . 2 1 1 A 30 30 VAL H H 30 8.616 8.010 0.606 1
1 385 . 2 1 1 A 30 30 VAL HA H 30 3.740 3.618 0.122 1
1 393 . 2 1 1 A 30 30 VAL C C 30 178.100 177.644 0.456 1
1 394 . 2 1 1 A 30 30 VAL CA C 30 66.610 66.124 0.486 1
1 395 . 2 1 1 A 30 30 VAL CB C 30 32.040 31.395 0.645 1
1 398 . 2 1 1 A 30 30 VAL N N 30 121.029 119.210 1.819 1
1 399 . 2 1 1 A 31 31 TYR H H 31 7.998 8.001 -0.003 1
1 400 . 2 1 1 A 31 31 TYR HA H 31 4.029 4.084 -0.055 1
1 407 . 2 1 1 A 31 31 TYR C C 31 179.000 177.880 1.120 1
1 408 . 2 1 1 A 31 31 TYR CA C 31 62.830 61.855 0.975 1
1 409 . 2 1 1 A 31 31 TYR CB C 31 39.040 38.579 0.461 1
1 414 . 2 1 1 A 31 31 TYR N N 31 121.235 120.921 0.314 1
1 415 . 2 1 1 A 32 32 CYS H H 32 8.833 8.645 0.188 1
1 416 . 2 1 1 A 32 32 CYS HA H 32 3.889 4.222 -0.333 1
1 419 . 2 1 1 A 32 32 CYS C C 32 176.800 176.922 -0.122 1
1 420 . 2 1 1 A 32 32 CYS CA C 32 65.290 62.027 3.263 1
1 421 . 2 1 1 A 32 32 CYS CB C 32 26.040 27.201 -1.161 1
1 422 . 2 1 1 A 32 32 CYS N N 32 118.092 117.006 1.086 1
1 423 . 2 1 1 A 33 33 ALA H H 33 8.238 7.872 0.366 1
1 424 . 2 1 1 A 33 33 ALA HA H 33 4.215 4.104 0.111 1
1 428 . 2 1 1 A 33 33 ALA C C 33 180.900 179.519 1.381 1
1 429 . 2 1 1 A 33 33 ALA CA C 33 54.880 54.687 0.193 1
1 430 . 2 1 1 A 33 33 ALA CB C 33 18.010 18.500 -0.490 1
1 431 . 2 1 1 A 33 33 ALA N N 33 122.005 122.380 -0.375 1
1 432 . 2 1 1 A 34 34 LYS H H 34 7.883 7.933 -0.050 1
1 433 . 2 1 1 A 34 34 LYS HA H 34 4.044 4.046 -0.002 1
1 442 . 2 1 1 A 34 34 LYS C C 34 177.100 178.166 -1.066 1
1 443 . 2 1 1 A 34 34 LYS CA C 34 58.490 59.025 -0.535 1
1 444 . 2 1 1 A 34 34 LYS CB C 34 32.900 32.303 0.597 1
1 448 . 2 1 1 A 34 34 LYS N N 34 117.252 117.864 -0.612 1
1 449 . 2 1 1 A 35 35 ASN H H 35 7.122 7.878 -0.756 1
1 450 . 2 1 1 A 35 35 ASN HA H 35 4.698 4.728 -0.030 1
1 455 . 2 1 1 A 35 35 ASN C C 35 172.600 174.390 -1.790 1
1 456 . 2 1 1 A 35 35 ASN CA C 35 53.490 52.587 0.903 1
1 457 . 2 1 1 A 35 35 ASN CB C 35 39.930 38.347 1.583 1
1 459 . 2 1 1 A 35 35 ASN N N 35 113.516 114.414 -0.898 1
1 461 . 2 1 1 A 36 36 ASN H H 36 7.650 7.981 -0.331 1
1 462 . 2 1 1 A 36 36 ASN HA H 36 4.364 4.374 -0.010 1
1 467 . 2 1 1 A 36 36 ASN C C 36 173.600 174.404 -0.804 1
1 468 . 2 1 1 A 36 36 ASN CA C 36 54.490 54.316 0.174 1
1 469 . 2 1 1 A 36 36 ASN CB C 36 37.050 37.544 -0.494 1
1 471 . 2 1 1 A 36 36 ASN N N 36 116.989 115.109 1.880 1
1 473 . 2 1 1 A 37 37 LEU H H 37 8.356 7.940 0.416 1
1 474 . 2 1 1 A 37 37 LEU HA H 37 4.741 4.300 0.441 1
1 484 . 2 1 1 A 37 37 LEU C C 37 177.100 176.543 0.557 1
1 485 . 2 1 1 A 37 37 LEU CA C 37 53.380 54.781 -1.401 1
1 486 . 2 1 1 A 37 37 LEU CB C 37 46.170 42.323 3.847 1
1 490 . 2 1 1 A 37 37 LEU N N 37 118.046 119.294 -1.248 1
1 491 . 2 1 1 A 38 38 GLN H H 38 8.649 8.809 -0.160 1
1 492 . 2 1 1 A 38 38 GLN HA H 38 4.436 4.390 0.046 1
1 499 . 2 1 1 A 38 38 GLN C C 38 177.400 176.970 0.430 1
1 500 . 2 1 1 A 38 38 GLN CA C 38 54.870 55.551 -0.681 1
1 501 . 2 1 1 A 38 38 GLN CB C 38 29.490 29.539 -0.049 1
1 504 . 2 1 1 A 38 38 GLN N N 38 120.404 120.643 -0.239 1
1 506 . 2 1 1 A 39 39 LEU H H 39 8.862 8.684 0.178 1
1 507 . 2 1 1 A 39 39 LEU HA H 39 4.288 4.174 0.114 1
1 517 . 2 1 1 A 39 39 LEU C C 39 178.800 178.708 0.092 1
1 518 . 2 1 1 A 39 39 LEU CA C 39 59.270 58.515 0.755 1
1 519 . 2 1 1 A 39 39 LEU CB C 39 42.190 42.148 0.042 1
1 523 . 2 1 1 A 39 39 LEU N N 39 126.026 127.059 -1.033 1
1 524 . 2 1 1 A 40 40 THR H H 40 8.408 8.233 0.175 1
1 525 . 2 1 1 A 40 40 THR HA H 40 3.819 3.849 -0.030 1
1 530 . 2 1 1 A 40 40 THR C C 40 175.700 176.340 -0.640 1
1 531 . 2 1 1 A 40 40 THR CA C 40 66.760 67.159 -0.399 1
1 532 . 2 1 1 A 40 40 THR CB C 40 68.620 68.582 0.038 1
1 534 . 2 1 1 A 40 40 THR N N 40 110.087 113.909 -3.822 1
1 535 . 2 1 1 A 41 41 GLN H H 41 6.817 8.418 -1.601 1
1 536 . 2 1 1 A 41 41 GLN HA H 41 4.192 3.906 0.286 1
1 543 . 2 1 1 A 41 41 GLN C C 41 178.000 178.069 -0.069 1
1 544 . 2 1 1 A 41 41 GLN CA C 41 58.650 58.754 -0.104 1
1 545 . 2 1 1 A 41 41 GLN CB C 41 28.850 28.466 0.384 1
1 547 . 2 1 1 A 41 41 GLN N N 41 119.955 120.893 -0.938 1
1 549 . 2 1 1 A 42 42 ALA H H 42 7.755 7.973 -0.218 1
1 550 . 2 1 1 A 42 42 ALA HA H 42 4.002 4.149 -0.147 1
1 554 . 2 1 1 A 42 42 ALA C C 42 178.300 179.534 -1.234 1
1 555 . 2 1 1 A 42 42 ALA CA C 42 55.190 54.829 0.361 1
1 556 . 2 1 1 A 42 42 ALA CB C 42 19.570 18.519 1.051 1
1 557 . 2 1 1 A 42 42 ALA N N 42 121.978 122.065 -0.087 1
1 558 . 2 1 1 A 43 43 ILE H H 43 8.118 8.119 -0.001 1
1 559 . 2 1 1 A 43 43 ILE HA H 43 3.184 3.533 -0.349 1
1 569 . 2 1 1 A 43 43 ILE C C 43 177.300 177.699 -0.399 1
1 570 . 2 1 1 A 43 43 ILE CA C 43 65.600 65.440 0.160 1
1 571 . 2 1 1 A 43 43 ILE CB C 43 37.550 37.733 -0.183 1
1 574 . 2 1 1 A 43 43 ILE N N 43 115.574 118.667 -3.093 1
1 575 . 2 1 1 A 44 44 GLU H H 44 7.990 8.533 -0.543 1
1 576 . 2 1 1 A 44 44 GLU HA H 44 3.678 3.899 -0.221 1
1 581 . 2 1 1 A 44 44 GLU C C 44 178.400 179.704 -1.304 1
1 582 . 2 1 1 A 44 44 GLU CA C 44 61.090 60.023 1.067 1
1 583 . 2 1 1 A 44 44 GLU CB C 44 29.630 29.584 0.046 1
1 585 . 2 1 1 A 44 44 GLU N N 44 118.630 118.987 -0.357 1
1 586 . 2 1 1 A 45 45 GLU H H 45 8.110 8.456 -0.346 1
1 587 . 2 1 1 A 45 45 GLU HA H 45 3.939 3.991 -0.052 1
1 592 . 2 1 1 A 45 45 GLU C C 45 178.600 179.019 -0.419 1
1 593 . 2 1 1 A 45 45 GLU CA C 45 59.650 59.604 0.046 1
1 594 . 2 1 1 A 45 45 GLU CB C 45 29.730 29.387 0.343 1
1 596 . 2 1 1 A 45 45 GLU N N 45 118.927 120.693 -1.766 1
1 597 . 2 1 1 A 46 46 ALA H H 46 8.363 8.420 -0.057 1
1 598 . 2 1 1 A 46 46 ALA HA H 46 3.859 4.067 -0.208 1
1 602 . 2 1 1 A 46 46 ALA C C 46 181.500 179.589 1.911 1
1 603 . 2 1 1 A 46 46 ALA CA C 46 55.080 55.143 -0.063 1
1 604 . 2 1 1 A 46 46 ALA CB C 46 17.090 18.700 -1.610 1
1 605 . 2 1 1 A 46 46 ALA N N 46 120.991 121.784 -0.793 1
1 606 . 2 1 1 A 47 47 ILE H H 47 8.496 8.580 -0.084 1
1 607 . 2 1 1 A 47 47 ILE HA H 47 3.447 3.981 -0.534 1
1 617 . 2 1 1 A 47 47 ILE C C 47 177.000 177.616 -0.616 1
1 618 . 2 1 1 A 47 47 ILE CA C 47 65.110 62.693 2.417 1
1 619 . 2 1 1 A 47 47 ILE CB C 47 37.522 37.634 -0.112 1
1 623 . 2 1 1 A 47 47 ILE N N 47 120.499 118.115 2.384 1
1 624 . 2 1 1 A 48 48 LYS H H 48 8.546 8.118 0.428 1
1 625 . 2 1 1 A 48 48 LYS HA H 48 3.763 4.067 -0.304 1
1 634 . 2 1 1 A 48 48 LYS C C 48 179.400 179.753 -0.353 1
1 635 . 2 1 1 A 48 48 LYS CA C 48 61.430 59.803 1.627 1
1 636 . 2 1 1 A 48 48 LYS CB C 48 32.340 32.146 0.194 1
1 640 . 2 1 1 A 48 48 LYS N N 48 121.030 121.515 -0.485 1
1 641 . 2 1 1 A 49 49 GLU H H 49 8.518 8.435 0.083 1
1 642 . 2 1 1 A 49 49 GLU HA H 49 3.979 4.103 -0.124 1
1 647 . 2 1 1 A 49 49 GLU C C 49 178.400 178.805 -0.405 1
1 648 . 2 1 1 A 49 49 GLU CA C 49 60.230 59.105 1.125 1
1 649 . 2 1 1 A 49 49 GLU CB C 49 29.960 29.700 0.260 1
1 651 . 2 1 1 A 49 49 GLU N N 49 118.574 118.231 0.343 1
1 652 . 2 1 1 A 50 50 TYR H H 50 7.980 8.023 -0.043 1
1 653 . 2 1 1 A 50 50 TYR HA H 50 4.160 4.181 -0.021 1
1 660 . 2 1 1 A 50 50 TYR C C 50 178.000 177.076 0.924 1
1 661 . 2 1 1 A 50 50 TYR CA C 50 60.670 61.410 -0.740 1
1 662 . 2 1 1 A 50 50 TYR CB C 50 39.550 38.370 1.180 1
1 667 . 2 1 1 A 50 50 TYR N N 50 121.810 123.408 -1.598 1
1 668 . 2 1 1 A 51 51 LEU H H 51 8.342 8.279 0.063 1
1 669 . 2 1 1 A 51 51 LEU HA H 51 3.464 3.679 -0.215 1
1 679 . 2 1 1 A 51 51 LEU C C 51 179.600 179.162 0.438 1
1 680 . 2 1 1 A 51 51 LEU CA C 51 57.140 57.711 -0.571 1
1 681 . 2 1 1 A 51 51 LEU CB C 51 41.780 41.278 0.502 1
1 685 . 2 1 1 A 51 51 LEU N N 51 117.934 119.881 -1.947 1
1 686 . 2 1 1 A 52 52 GLN H H 52 8.397 7.994 0.403 1
1 687 . 2 1 1 A 52 52 GLN HA H 52 4.052 4.000 0.052 1
1 694 . 2 1 1 A 52 52 GLN C C 52 179.500 178.586 0.914 1
1 695 . 2 1 1 A 52 52 GLN CA C 52 59.140 58.780 0.360 1
1 696 . 2 1 1 A 52 52 GLN CB C 52 28.230 28.121 0.109 1
1 699 . 2 1 1 A 52 52 GLN N N 52 120.458 118.011 2.447 1
1 701 . 2 1 1 A 53 53 LYS H H 53 7.534 7.903 -0.369 1
1 702 . 2 1 1 A 53 53 LYS HA H 53 4.038 4.053 -0.015 1
1 711 . 2 1 1 A 53 53 LYS C C 53 176.900 178.027 -1.127 1
1 712 . 2 1 1 A 53 53 LYS CA C 53 58.330 58.813 -0.483 1
1 713 . 2 1 1 A 53 53 LYS CB C 53 32.720 31.933 0.787 1
1 717 . 2 1 1 A 53 53 LYS N N 53 118.094 120.966 -2.872 1
1 718 . 2 1 1 A 54 54 ARG H H 54 6.789 7.643 -0.854 1
1 719 . 2 1 1 A 54 54 ARG HA H 54 4.155 4.186 -0.031 1
1 727 . 2 1 1 A 54 54 ARG C C 54 174.500 176.702 -2.202 1
1 728 . 2 1 1 A 54 54 ARG CA C 54 55.560 57.529 -1.969 1
1 729 . 2 1 1 A 54 54 ARG CB C 54 29.660 31.650 -1.990 1
1 732 . 2 1 1 A 54 54 ARG N N 54 116.828 118.643 -1.815 1
1 734 . 2 1 1 A 55 55 ASN H H 55 7.651 8.020 -0.369 1
1 735 . 2 1 1 A 55 55 ASN HA H 55 4.456 4.718 -0.262 1
1 740 . 2 1 1 A 55 55 ASN C C 55 174.100 176.513 -2.413 1
1 741 . 2 1 1 A 55 55 ASN CA C 55 54.760 53.732 1.028 1
1 742 . 2 1 1 A 55 55 ASN CB C 55 37.370 39.841 -2.471 1
1 744 . 2 1 1 A 55 55 ASN N N 55 115.626 113.726 1.900 1
1 130 . 3 1 1 A 12 12 GLN H H 12 8.154 7.685 0.469 1
1 131 . 3 1 1 A 12 12 GLN HA H 12 4.247 4.595 -0.348 1
1 136 . 3 1 1 A 12 12 GLN C C 12 175.800 175.200 0.600 1
1 137 . 3 1 1 A 12 12 GLN CA C 12 56.670 55.220 1.450 1
1 138 . 3 1 1 A 12 12 GLN CB C 12 33.855 30.188 3.667 1
1 140 . 3 1 1 A 12 12 GLN N N 12 121.590 119.824 1.766 1
1 141 . 3 1 1 A 13 13 LYS H H 13 8.408 9.172 -0.764 1
1 142 . 3 1 1 A 13 13 LYS HA H 13 4.538 5.092 -0.554 1
1 151 . 3 1 1 A 13 13 LYS C C 13 175.500 175.041 0.459 1
1 152 . 3 1 1 A 13 13 LYS CA C 13 55.500 54.491 1.009 1
1 153 . 3 1 1 A 13 13 LYS CB C 13 34.580 35.798 -1.218 1
1 157 . 3 1 1 A 13 13 LYS N N 13 121.913 120.115 1.798 1
1 158 . 3 1 1 A 14 14 ALA H H 14 8.771 9.118 -0.347 1
1 159 . 3 1 1 A 14 14 ALA HA H 14 4.581 5.226 -0.645 1
1 163 . 3 1 1 A 14 14 ALA C C 14 176.100 175.482 0.618 1
1 164 . 3 1 1 A 14 14 ALA CA C 14 51.250 50.122 1.128 1
1 165 . 3 1 1 A 14 14 ALA CB C 14 21.540 23.442 -1.902 1
1 166 . 3 1 1 A 14 14 ALA N N 14 124.191 123.633 0.558 1
1 167 . 3 1 1 A 15 15 VAL H H 15 8.287 8.443 -0.156 1
1 168 . 3 1 1 A 15 15 VAL HA H 15 4.405 5.060 -0.655 1
1 176 . 3 1 1 A 15 15 VAL C C 15 175.300 175.085 0.215 1
1 177 . 3 1 1 A 15 15 VAL CA C 15 61.530 60.650 0.880 1
1 178 . 3 1 1 A 15 15 VAL CB C 15 32.980 34.466 -1.486 1
1 181 . 3 1 1 A 15 15 VAL N N 15 121.035 118.372 2.663 1
1 182 . 3 1 1 A 16 16 PHE H H 16 8.757 8.894 -0.137 1
1 183 . 3 1 1 A 16 16 PHE HA H 16 4.770 5.066 -0.296 1
1 191 . 3 1 1 A 16 16 PHE C C 16 173.200 173.633 -0.433 1
1 192 . 3 1 1 A 16 16 PHE CA C 16 56.180 56.705 -0.525 1
1 193 . 3 1 1 A 16 16 PHE CB C 16 40.820 42.053 -1.233 1
1 198 . 3 1 1 A 16 16 PHE N N 16 126.504 126.025 0.479 1
1 199 . 3 1 1 A 17 17 GLY H H 17 8.305 8.692 -0.387 1
1 200 . 3 1 1 A 17 17 GLY HA2 H 17 4.342 4.011 0.331 1
1 201 . 3 1 1 A 17 17 GLY HA3 H 17 3.240 4.022 -0.782 1
1 202 . 3 1 1 A 17 17 GLY C C 17 172.682 172.249 0.433 1
1 203 . 3 1 1 A 17 17 GLY CA C 17 45.070 44.743 0.327 1
1 204 . 3 1 1 A 17 17 GLY N N 17 111.670 111.927 -0.257 1
1 205 . 3 1 1 A 18 18 ILE H H 18 8.375 8.615 -0.240 1
1 206 . 3 1 1 A 18 18 ILE HA H 18 4.245 4.725 -0.480 1
1 216 . 3 1 1 A 18 18 ILE C C 18 173.700 173.635 0.065 1
1 217 . 3 1 1 A 18 18 ILE CA C 18 59.240 58.478 0.762 1
1 218 . 3 1 1 A 18 18 ILE CB C 18 40.310 41.410 -1.100 1
1 222 . 3 1 1 A 18 18 ILE N N 18 120.812 120.729 0.083 1
1 223 . 3 1 1 A 19 19 TYR H H 19 8.293 8.580 -0.287 1
1 224 . 3 1 1 A 19 19 TYR HA H 19 4.942 4.979 -0.037 1
1 231 . 3 1 1 A 19 19 TYR C C 19 174.900 175.737 -0.837 1
1 232 . 3 1 1 A 19 19 TYR CA C 19 56.730 56.735 -0.005 1
1 233 . 3 1 1 A 19 19 TYR CB C 19 39.200 38.650 0.550 1
1 238 . 3 1 1 A 19 19 TYR N N 19 123.869 121.153 2.716 1
1 239 . 3 1 1 A 20 20 MET H H 20 8.513 8.623 -0.110 1
1 240 . 3 1 1 A 20 20 MET HA H 20 4.727 5.388 -0.661 1
1 248 . 3 1 1 A 20 20 MET C C 20 174.100 176.024 -1.924 1
1 249 . 3 1 1 A 20 20 MET CA C 20 54.350 53.032 1.318 1
1 250 . 3 1 1 A 20 20 MET CB C 20 37.450 35.692 1.758 1
1 253 . 3 1 1 A 20 20 MET N N 20 120.765 121.887 -1.122 1
1 254 . 3 1 1 A 21 21 ASP H H 21 9.139 8.669 0.470 1
1 255 . 3 1 1 A 21 21 ASP HA H 21 4.418 4.628 -0.210 1
1 258 . 3 1 1 A 21 21 ASP C C 21 176.600 177.047 -0.447 1
1 259 . 3 1 1 A 21 21 ASP CA C 21 55.560 54.698 0.862 1
1 260 . 3 1 1 A 21 21 ASP CB C 21 42.910 41.591 1.319 1
1 261 . 3 1 1 A 21 21 ASP N N 21 125.274 120.280 4.994 1
1 262 . 3 1 1 A 22 22 LYS H H 22 8.821 8.737 0.084 1
1 263 . 3 1 1 A 22 22 LYS HA H 22 3.851 4.012 -0.161 1
1 272 . 3 1 1 A 22 22 LYS C C 22 178.200 177.664 0.536 1
1 273 . 3 1 1 A 22 22 LYS CA C 22 60.170 59.336 0.834 1
1 274 . 3 1 1 A 22 22 LYS CB C 22 32.780 32.331 0.449 1
1 278 . 3 1 1 A 22 22 LYS N N 22 126.689 123.495 3.194 1
1 279 . 3 1 1 A 23 23 ASP H H 23 8.421 8.120 0.301 1
1 280 . 3 1 1 A 23 23 ASP HA H 23 4.454 4.323 0.131 1
1 283 . 3 1 1 A 23 23 ASP C C 23 178.700 178.290 0.410 1
1 284 . 3 1 1 A 23 23 ASP CA C 23 57.310 57.377 -0.067 1
1 285 . 3 1 1 A 23 23 ASP CB C 23 40.200 41.801 -1.601 1
1 286 . 3 1 1 A 23 23 ASP N N 23 120.894 119.544 1.350 1
1 287 . 3 1 1 A 24 24 LEU H H 24 8.079 7.913 0.166 1
1 288 . 3 1 1 A 24 24 LEU HA H 24 4.029 4.139 -0.110 1
1 298 . 3 1 1 A 24 24 LEU C C 24 177.900 178.370 -0.470 1
1 299 . 3 1 1 A 24 24 LEU CA C 24 57.460 57.771 -0.311 1
1 300 . 3 1 1 A 24 24 LEU CB C 24 42.000 41.756 0.244 1
1 304 . 3 1 1 A 24 24 LEU N N 24 123.406 120.279 3.127 1
1 305 . 3 1 1 A 25 25 LYS H H 25 7.976 8.051 -0.075 1
1 306 . 3 1 1 A 25 25 LYS HA H 25 3.666 4.038 -0.372 1
1 315 . 3 1 1 A 25 25 LYS C C 25 178.200 178.813 -0.613 1
1 316 . 3 1 1 A 25 25 LYS CA C 25 60.350 59.380 0.970 1
1 317 . 3 1 1 A 25 25 LYS CB C 25 31.870 32.091 -0.221 1
1 321 . 3 1 1 A 25 25 LYS N N 25 119.319 118.901 0.418 1
1 322 . 3 1 1 A 26 26 THR H H 26 8.193 8.741 -0.548 1
1 323 . 3 1 1 A 26 26 THR HA H 26 3.803 3.959 -0.156 1
1 328 . 3 1 1 A 26 26 THR C C 26 175.400 176.344 -0.944 1
1 329 . 3 1 1 A 26 26 THR CA C 26 67.110 66.661 0.449 1
1 330 . 3 1 1 A 26 26 THR CB C 26 68.520 68.525 -0.005 1
1 332 . 3 1 1 A 26 26 THR N N 26 116.606 117.585 -0.979 1
1 333 . 3 1 1 A 27 27 ARG H H 27 8.032 8.118 -0.086 1
1 334 . 3 1 1 A 27 27 ARG HA H 27 3.986 4.081 -0.095 1
1 342 . 3 1 1 A 27 27 ARG C C 27 179.900 178.580 1.320 1
1 343 . 3 1 1 A 27 27 ARG CA C 27 59.730 59.611 0.119 1
1 344 . 3 1 1 A 27 27 ARG CB C 27 31.850 29.850 2.000 1
1 347 . 3 1 1 A 27 27 ARG N N 27 121.054 120.896 0.158 1
1 349 . 3 1 1 A 28 28 LEU H H 28 8.485 8.028 0.457 1
1 350 . 3 1 1 A 28 28 LEU HA H 28 4.270 4.175 0.095 1
1 360 . 3 1 1 A 28 28 LEU C C 28 178.000 178.438 -0.438 1
1 361 . 3 1 1 A 28 28 LEU CA C 28 58.090 57.578 0.512 1
1 362 . 3 1 1 A 28 28 LEU CB C 28 42.020 41.836 0.184 1
1 366 . 3 1 1 A 28 28 LEU N N 28 121.174 120.882 0.292 1
1 367 . 3 1 1 A 29 29 LYS H H 29 8.699 8.230 0.469 1
1 368 . 3 1 1 A 29 29 LYS HA H 29 3.899 4.031 -0.132 1
1 377 . 3 1 1 A 29 29 LYS C C 29 179.700 178.824 0.876 1
1 378 . 3 1 1 A 29 29 LYS CA C 29 60.760 59.645 1.115 1
1 379 . 3 1 1 A 29 29 LYS CB C 29 31.950 32.073 -0.123 1
1 383 . 3 1 1 A 29 29 LYS N N 29 121.221 119.392 1.829 1
1 384 . 3 1 1 A 30 30 VAL H H 30 8.616 7.946 0.670 1
1 385 . 3 1 1 A 30 30 VAL HA H 30 3.740 3.638 0.102 1
1 393 . 3 1 1 A 30 30 VAL C C 30 178.100 177.691 0.409 1
1 394 . 3 1 1 A 30 30 VAL CA C 30 66.610 66.118 0.492 1
1 395 . 3 1 1 A 30 30 VAL CB C 30 32.040 31.410 0.630 1
1 398 . 3 1 1 A 30 30 VAL N N 30 121.029 119.059 1.970 1
1 399 . 3 1 1 A 31 31 TYR H H 31 7.998 7.986 0.012 1
1 400 . 3 1 1 A 31 31 TYR HA H 31 4.029 4.063 -0.034 1
1 407 . 3 1 1 A 31 31 TYR C C 31 179.000 177.874 1.126 1
1 408 . 3 1 1 A 31 31 TYR CA C 31 62.830 61.823 1.007 1
1 409 . 3 1 1 A 31 31 TYR CB C 31 39.040 38.492 0.548 1
1 414 . 3 1 1 A 31 31 TYR N N 31 121.235 120.846 0.389 1
1 415 . 3 1 1 A 32 32 CYS H H 32 8.833 8.605 0.228 1
1 416 . 3 1 1 A 32 32 CYS HA H 32 3.889 4.202 -0.313 1
1 419 . 3 1 1 A 32 32 CYS C C 32 176.800 176.628 0.172 1
1 420 . 3 1 1 A 32 32 CYS CA C 32 65.290 61.664 3.626 1
1 421 . 3 1 1 A 32 32 CYS CB C 32 26.040 26.936 -0.896 1
1 422 . 3 1 1 A 32 32 CYS N N 32 118.092 116.970 1.122 1
1 423 . 3 1 1 A 33 33 ALA H H 33 8.238 7.711 0.527 1
1 424 . 3 1 1 A 33 33 ALA HA H 33 4.215 4.141 0.074 1
1 428 . 3 1 1 A 33 33 ALA C C 33 180.900 179.601 1.299 1
1 429 . 3 1 1 A 33 33 ALA CA C 33 54.880 54.691 0.189 1
1 430 . 3 1 1 A 33 33 ALA CB C 33 18.010 18.445 -0.435 1
1 431 . 3 1 1 A 33 33 ALA N N 33 122.005 122.502 -0.497 1
1 432 . 3 1 1 A 34 34 LYS H H 34 7.883 8.032 -0.149 1
1 433 . 3 1 1 A 34 34 LYS HA H 34 4.044 4.011 0.033 1
1 442 . 3 1 1 A 34 34 LYS C C 34 177.100 178.183 -1.083 1
1 443 . 3 1 1 A 34 34 LYS CA C 34 58.490 59.288 -0.798 1
1 444 . 3 1 1 A 34 34 LYS CB C 34 32.900 32.586 0.314 1
1 448 . 3 1 1 A 34 34 LYS N N 34 117.252 118.273 -1.021 1
1 449 . 3 1 1 A 35 35 ASN H H 35 7.122 7.900 -0.778 1
1 450 . 3 1 1 A 35 35 ASN HA H 35 4.698 4.726 -0.028 1
1 455 . 3 1 1 A 35 35 ASN C C 35 172.600 174.360 -1.760 1
1 456 . 3 1 1 A 35 35 ASN CA C 35 53.490 52.589 0.901 1
1 457 . 3 1 1 A 35 35 ASN CB C 35 39.930 38.288 1.642 1
1 459 . 3 1 1 A 35 35 ASN N N 35 113.516 114.381 -0.865 1
1 461 . 3 1 1 A 36 36 ASN H H 36 7.650 7.974 -0.324 1
1 462 . 3 1 1 A 36 36 ASN HA H 36 4.364 4.446 -0.082 1
1 467 . 3 1 1 A 36 36 ASN C C 36 173.600 174.451 -0.851 1
1 468 . 3 1 1 A 36 36 ASN CA C 36 54.490 54.332 0.158 1
1 469 . 3 1 1 A 36 36 ASN CB C 36 37.050 37.390 -0.340 1
1 471 . 3 1 1 A 36 36 ASN N N 36 116.989 115.128 1.861 1
1 473 . 3 1 1 A 37 37 LEU H H 37 8.356 7.844 0.512 1
1 474 . 3 1 1 A 37 37 LEU HA H 37 4.741 4.316 0.425 1
1 484 . 3 1 1 A 37 37 LEU C C 37 177.100 176.702 0.398 1
1 485 . 3 1 1 A 37 37 LEU CA C 37 53.380 54.645 -1.265 1
1 486 . 3 1 1 A 37 37 LEU CB C 37 46.170 42.276 3.894 1
1 490 . 3 1 1 A 37 37 LEU N N 37 118.046 119.007 -0.961 1
1 491 . 3 1 1 A 38 38 GLN H H 38 8.649 8.826 -0.177 1
1 492 . 3 1 1 A 38 38 GLN HA H 38 4.436 4.333 0.103 1
1 499 . 3 1 1 A 38 38 GLN C C 38 177.400 177.196 0.204 1
1 500 . 3 1 1 A 38 38 GLN CA C 38 54.870 55.776 -0.906 1
1 501 . 3 1 1 A 38 38 GLN CB C 38 29.490 29.450 0.040 1
1 504 . 3 1 1 A 38 38 GLN N N 38 120.404 120.462 -0.058 1
1 506 . 3 1 1 A 39 39 LEU H H 39 8.862 8.713 0.149 1
1 507 . 3 1 1 A 39 39 LEU HA H 39 4.288 4.147 0.141 1
1 517 . 3 1 1 A 39 39 LEU C C 39 178.800 178.341 0.459 1
1 518 . 3 1 1 A 39 39 LEU CA C 39 59.270 58.662 0.608 1
1 519 . 3 1 1 A 39 39 LEU CB C 39 42.190 41.735 0.455 1
1 523 . 3 1 1 A 39 39 LEU N N 39 126.026 126.971 -0.945 1
1 524 . 3 1 1 A 40 40 THR H H 40 8.408 8.296 0.112 1
1 525 . 3 1 1 A 40 40 THR HA H 40 3.819 3.876 -0.057 1
1 530 . 3 1 1 A 40 40 THR C C 40 175.700 176.336 -0.636 1
1 531 . 3 1 1 A 40 40 THR CA C 40 66.760 67.289 -0.529 1
1 532 . 3 1 1 A 40 40 THR CB C 40 68.620 68.419 0.201 1
1 534 . 3 1 1 A 40 40 THR N N 40 110.087 113.907 -3.820 1
1 535 . 3 1 1 A 41 41 GLN H H 41 6.817 8.452 -1.635 1
1 536 . 3 1 1 A 41 41 GLN HA H 41 4.192 3.906 0.286 1
1 543 . 3 1 1 A 41 41 GLN C C 41 178.000 178.081 -0.081 1
1 544 . 3 1 1 A 41 41 GLN CA C 41 58.650 58.773 -0.123 1
1 545 . 3 1 1 A 41 41 GLN CB C 41 28.850 28.497 0.353 1
1 547 . 3 1 1 A 41 41 GLN N N 41 119.955 120.889 -0.934 1
1 549 . 3 1 1 A 42 42 ALA H H 42 7.755 7.898 -0.143 1
1 550 . 3 1 1 A 42 42 ALA HA H 42 4.002 4.142 -0.140 1
1 554 . 3 1 1 A 42 42 ALA C C 42 178.300 179.599 -1.299 1
1 555 . 3 1 1 A 42 42 ALA CA C 42 55.190 54.633 0.557 1
1 556 . 3 1 1 A 42 42 ALA CB C 42 19.570 18.583 0.987 1
1 557 . 3 1 1 A 42 42 ALA N N 42 121.978 122.047 -0.069 1
1 558 . 3 1 1 A 43 43 ILE H H 43 8.118 8.140 -0.022 1
1 559 . 3 1 1 A 43 43 ILE HA H 43 3.184 3.524 -0.340 1
1 569 . 3 1 1 A 43 43 ILE C C 43 177.300 177.860 -0.560 1
1 570 . 3 1 1 A 43 43 ILE CA C 43 65.600 65.401 0.199 1
1 571 . 3 1 1 A 43 43 ILE CB C 43 37.550 37.749 -0.199 1
1 574 . 3 1 1 A 43 43 ILE N N 43 115.574 118.575 -3.001 1
1 575 . 3 1 1 A 44 44 GLU H H 44 7.990 8.591 -0.601 1
1 576 . 3 1 1 A 44 44 GLU HA H 44 3.678 3.914 -0.236 1
1 581 . 3 1 1 A 44 44 GLU C C 44 178.400 179.600 -1.200 1
1 582 . 3 1 1 A 44 44 GLU CA C 44 61.090 60.031 1.059 1
1 583 . 3 1 1 A 44 44 GLU CB C 44 29.630 29.598 0.032 1
1 585 . 3 1 1 A 44 44 GLU N N 44 118.630 119.089 -0.459 1
1 586 . 3 1 1 A 45 45 GLU H H 45 8.110 8.228 -0.118 1
1 587 . 3 1 1 A 45 45 GLU HA H 45 3.939 4.059 -0.120 1
1 592 . 3 1 1 A 45 45 GLU C C 45 178.600 179.258 -0.658 1
1 593 . 3 1 1 A 45 45 GLU CA C 45 59.650 59.062 0.588 1
1 594 . 3 1 1 A 45 45 GLU CB C 45 29.730 28.880 0.850 1
1 596 . 3 1 1 A 45 45 GLU N N 45 118.927 120.671 -1.744 1
1 597 . 3 1 1 A 46 46 ALA H H 46 8.363 8.312 0.051 1
1 598 . 3 1 1 A 46 46 ALA HA H 46 3.859 4.047 -0.188 1
1 602 . 3 1 1 A 46 46 ALA C C 46 181.500 179.598 1.902 1
1 603 . 3 1 1 A 46 46 ALA CA C 46 55.080 55.121 -0.041 1
1 604 . 3 1 1 A 46 46 ALA CB C 46 17.090 18.667 -1.577 1
1 605 . 3 1 1 A 46 46 ALA N N 46 120.991 122.880 -1.889 1
1 606 . 3 1 1 A 47 47 ILE H H 47 8.496 8.534 -0.038 1
1 607 . 3 1 1 A 47 47 ILE HA H 47 3.447 3.936 -0.489 1
1 617 . 3 1 1 A 47 47 ILE C C 47 177.000 177.603 -0.603 1
1 618 . 3 1 1 A 47 47 ILE CA C 47 65.110 62.866 2.244 1
1 619 . 3 1 1 A 47 47 ILE CB C 47 37.522 37.304 0.218 1
1 623 . 3 1 1 A 47 47 ILE N N 47 120.499 118.278 2.221 1
1 624 . 3 1 1 A 48 48 LYS H H 48 8.546 8.065 0.481 1
1 625 . 3 1 1 A 48 48 LYS HA H 48 3.763 4.049 -0.286 1
1 634 . 3 1 1 A 48 48 LYS C C 48 179.400 179.685 -0.285 1
1 635 . 3 1 1 A 48 48 LYS CA C 48 61.430 59.816 1.614 1
1 636 . 3 1 1 A 48 48 LYS CB C 48 32.340 32.129 0.211 1
1 640 . 3 1 1 A 48 48 LYS N N 48 121.030 121.652 -0.622 1
1 641 . 3 1 1 A 49 49 GLU H H 49 8.518 8.228 0.290 1
1 642 . 3 1 1 A 49 49 GLU HA H 49 3.979 4.140 -0.161 1
1 647 . 3 1 1 A 49 49 GLU C C 49 178.400 178.597 -0.197 1
1 648 . 3 1 1 A 49 49 GLU CA C 49 60.230 58.706 1.524 1
1 649 . 3 1 1 A 49 49 GLU CB C 49 29.960 29.061 0.899 1
1 651 . 3 1 1 A 49 49 GLU N N 49 118.574 118.383 0.191 1
1 652 . 3 1 1 A 50 50 TYR H H 50 7.980 8.044 -0.064 1
1 653 . 3 1 1 A 50 50 TYR HA H 50 4.160 4.218 -0.058 1
1 660 . 3 1 1 A 50 50 TYR C C 50 178.000 177.049 0.951 1
1 661 . 3 1 1 A 50 50 TYR CA C 50 60.670 61.386 -0.716 1
1 662 . 3 1 1 A 50 50 TYR CB C 50 39.550 38.391 1.159 1
1 667 . 3 1 1 A 50 50 TYR N N 50 121.810 123.320 -1.510 1
1 668 . 3 1 1 A 51 51 LEU H H 51 8.342 8.288 0.054 1
1 669 . 3 1 1 A 51 51 LEU HA H 51 3.464 3.709 -0.245 1
1 679 . 3 1 1 A 51 51 LEU C C 51 179.600 179.222 0.378 1
1 680 . 3 1 1 A 51 51 LEU CA C 51 57.140 57.795 -0.655 1
1 681 . 3 1 1 A 51 51 LEU CB C 51 41.780 41.279 0.501 1
1 685 . 3 1 1 A 51 51 LEU N N 51 117.934 119.558 -1.624 1
1 686 . 3 1 1 A 52 52 GLN H H 52 8.397 7.857 0.540 1
1 687 . 3 1 1 A 52 52 GLN HA H 52 4.052 4.004 0.048 1
1 694 . 3 1 1 A 52 52 GLN C C 52 179.500 178.743 0.757 1
1 695 . 3 1 1 A 52 52 GLN CA C 52 59.140 58.745 0.395 1
1 696 . 3 1 1 A 52 52 GLN CB C 52 28.230 27.970 0.260 1
1 699 . 3 1 1 A 52 52 GLN N N 52 120.458 117.531 2.927 1
1 701 . 3 1 1 A 53 53 LYS H H 53 7.534 7.584 -0.050 1
1 702 . 3 1 1 A 53 53 LYS HA H 53 4.038 4.029 0.009 1
1 711 . 3 1 1 A 53 53 LYS C C 53 176.900 178.269 -1.369 1
1 712 . 3 1 1 A 53 53 LYS CA C 53 58.330 58.676 -0.346 1
1 713 . 3 1 1 A 53 53 LYS CB C 53 32.720 31.804 0.916 1
1 717 . 3 1 1 A 53 53 LYS N N 53 118.094 121.038 -2.944 1
1 718 . 3 1 1 A 54 54 ARG H H 54 6.789 7.660 -0.871 1
1 719 . 3 1 1 A 54 54 ARG HA H 54 4.155 4.247 -0.092 1
1 727 . 3 1 1 A 54 54 ARG C C 54 174.500 176.310 -1.810 1
1 728 . 3 1 1 A 54 54 ARG CA C 54 55.560 57.528 -1.968 1
1 729 . 3 1 1 A 54 54 ARG CB C 54 29.660 32.013 -2.353 1
1 732 . 3 1 1 A 54 54 ARG N N 54 116.828 118.285 -1.457 1
1 734 . 3 1 1 A 55 55 ASN H H 55 7.651 7.834 -0.183 1
1 735 . 3 1 1 A 55 55 ASN HA H 55 4.456 4.723 -0.267 1
1 740 . 3 1 1 A 55 55 ASN C C 55 174.100 176.253 -2.153 1
1 741 . 3 1 1 A 55 55 ASN CA C 55 54.760 53.852 0.908 1
1 742 . 3 1 1 A 55 55 ASN CB C 55 37.370 39.847 -2.477 1
1 744 . 3 1 1 A 55 55 ASN N N 55 115.626 113.926 1.700 1
1 130 . 4 1 1 A 12 12 GLN H H 12 8.154 8.013 0.141 1
1 131 . 4 1 1 A 12 12 GLN HA H 12 4.247 4.592 -0.345 1
1 136 . 4 1 1 A 12 12 GLN C C 12 175.800 175.736 0.064 1
1 137 . 4 1 1 A 12 12 GLN CA C 12 56.670 55.536 1.134 1
1 138 . 4 1 1 A 12 12 GLN CB C 12 33.855 29.214 4.641 1
1 140 . 4 1 1 A 12 12 GLN N N 12 121.590 116.985 4.605 1
1 141 . 4 1 1 A 13 13 LYS H H 13 8.408 8.889 -0.481 1
1 142 . 4 1 1 A 13 13 LYS HA H 13 4.538 5.119 -0.581 1
1 151 . 4 1 1 A 13 13 LYS C C 13 175.500 175.224 0.276 1
1 152 . 4 1 1 A 13 13 LYS CA C 13 55.500 54.675 0.825 1
1 153 . 4 1 1 A 13 13 LYS CB C 13 34.580 34.873 -0.293 1
1 157 . 4 1 1 A 13 13 LYS N N 13 121.913 121.702 0.211 1
1 158 . 4 1 1 A 14 14 ALA H H 14 8.771 8.644 0.127 1
1 159 . 4 1 1 A 14 14 ALA HA H 14 4.581 5.223 -0.642 1
1 163 . 4 1 1 A 14 14 ALA C C 14 176.100 175.375 0.725 1
1 164 . 4 1 1 A 14 14 ALA CA C 14 51.250 50.593 0.657 1
1 165 . 4 1 1 A 14 14 ALA CB C 14 21.540 24.152 -2.612 1
1 166 . 4 1 1 A 14 14 ALA N N 14 124.191 121.464 2.727 1
1 167 . 4 1 1 A 15 15 VAL H H 15 8.287 8.648 -0.361 1
1 168 . 4 1 1 A 15 15 VAL HA H 15 4.405 5.022 -0.617 1
1 176 . 4 1 1 A 15 15 VAL C C 15 175.300 175.069 0.231 1
1 177 . 4 1 1 A 15 15 VAL CA C 15 61.530 60.625 0.905 1
1 178 . 4 1 1 A 15 15 VAL CB C 15 32.980 34.368 -1.388 1
1 181 . 4 1 1 A 15 15 VAL N N 15 121.035 118.781 2.254 1
1 182 . 4 1 1 A 16 16 PHE H H 16 8.757 8.893 -0.136 1
1 183 . 4 1 1 A 16 16 PHE HA H 16 4.770 5.084 -0.314 1
1 191 . 4 1 1 A 16 16 PHE C C 16 173.200 173.635 -0.435 1
1 192 . 4 1 1 A 16 16 PHE CA C 16 56.180 56.294 -0.114 1
1 193 . 4 1 1 A 16 16 PHE CB C 16 40.820 42.457 -1.637 1
1 198 . 4 1 1 A 16 16 PHE N N 16 126.504 126.111 0.393 1
1 199 . 4 1 1 A 17 17 GLY H H 17 8.305 8.593 -0.288 1
1 200 . 4 1 1 A 17 17 GLY HA2 H 17 4.342 4.008 0.334 1
1 201 . 4 1 1 A 17 17 GLY HA3 H 17 3.240 4.018 -0.778 1
1 202 . 4 1 1 A 17 17 GLY C C 17 172.682 172.267 0.415 1
1 203 . 4 1 1 A 17 17 GLY CA C 17 45.070 44.826 0.244 1
1 204 . 4 1 1 A 17 17 GLY N N 17 111.670 111.699 -0.029 1
1 205 . 4 1 1 A 18 18 ILE H H 18 8.375 8.554 -0.179 1
1 206 . 4 1 1 A 18 18 ILE HA H 18 4.245 4.764 -0.519 1
1 216 . 4 1 1 A 18 18 ILE C C 18 173.700 173.853 -0.153 1
1 217 . 4 1 1 A 18 18 ILE CA C 18 59.240 58.420 0.820 1
1 218 . 4 1 1 A 18 18 ILE CB C 18 40.310 41.470 -1.160 1
1 222 . 4 1 1 A 18 18 ILE N N 18 120.812 120.311 0.501 1
1 223 . 4 1 1 A 19 19 TYR H H 19 8.293 8.600 -0.307 1
1 224 . 4 1 1 A 19 19 TYR HA H 19 4.942 4.996 -0.054 1
1 231 . 4 1 1 A 19 19 TYR C C 19 174.900 175.439 -0.539 1
1 232 . 4 1 1 A 19 19 TYR CA C 19 56.730 56.600 0.130 1
1 233 . 4 1 1 A 19 19 TYR CB C 19 39.200 38.818 0.382 1
1 238 . 4 1 1 A 19 19 TYR N N 19 123.869 121.357 2.512 1
1 239 . 4 1 1 A 20 20 MET H H 20 8.513 8.649 -0.136 1
1 240 . 4 1 1 A 20 20 MET HA H 20 4.727 5.403 -0.676 1
1 248 . 4 1 1 A 20 20 MET C C 20 174.100 176.039 -1.939 1
1 249 . 4 1 1 A 20 20 MET CA C 20 54.350 53.072 1.278 1
1 250 . 4 1 1 A 20 20 MET CB C 20 37.450 35.425 2.025 1
1 253 . 4 1 1 A 20 20 MET N N 20 120.765 121.991 -1.226 1
1 254 . 4 1 1 A 21 21 ASP H H 21 9.139 8.615 0.524 1
1 255 . 4 1 1 A 21 21 ASP HA H 21 4.418 4.603 -0.185 1
1 258 . 4 1 1 A 21 21 ASP C C 21 176.600 176.984 -0.384 1
1 259 . 4 1 1 A 21 21 ASP CA C 21 55.560 54.839 0.721 1
1 260 . 4 1 1 A 21 21 ASP CB C 21 42.910 41.472 1.438 1
1 261 . 4 1 1 A 21 21 ASP N N 21 125.274 121.112 4.162 1
1 262 . 4 1 1 A 22 22 LYS H H 22 8.821 8.712 0.109 1
1 263 . 4 1 1 A 22 22 LYS HA H 22 3.851 4.011 -0.160 1
1 272 . 4 1 1 A 22 22 LYS C C 22 178.200 177.703 0.497 1
1 273 . 4 1 1 A 22 22 LYS CA C 22 60.170 59.398 0.772 1
1 274 . 4 1 1 A 22 22 LYS CB C 22 32.780 32.356 0.424 1
1 278 . 4 1 1 A 22 22 LYS N N 22 126.689 123.611 3.078 1
1 279 . 4 1 1 A 23 23 ASP H H 23 8.421 8.190 0.231 1
1 280 . 4 1 1 A 23 23 ASP HA H 23 4.454 4.333 0.121 1
1 283 . 4 1 1 A 23 23 ASP C C 23 178.700 178.087 0.613 1
1 284 . 4 1 1 A 23 23 ASP CA C 23 57.310 57.260 0.050 1
1 285 . 4 1 1 A 23 23 ASP CB C 23 40.200 41.876 -1.676 1
1 286 . 4 1 1 A 23 23 ASP N N 23 120.894 119.561 1.333 1
1 287 . 4 1 1 A 24 24 LEU H H 24 8.079 7.870 0.209 1
1 288 . 4 1 1 A 24 24 LEU HA H 24 4.029 4.073 -0.044 1
1 298 . 4 1 1 A 24 24 LEU C C 24 177.900 178.333 -0.433 1
1 299 . 4 1 1 A 24 24 LEU CA C 24 57.460 58.030 -0.570 1
1 300 . 4 1 1 A 24 24 LEU CB C 24 42.000 41.896 0.104 1
1 304 . 4 1 1 A 24 24 LEU N N 24 123.406 120.422 2.984 1
1 305 . 4 1 1 A 25 25 LYS H H 25 7.976 8.056 -0.080 1
1 306 . 4 1 1 A 25 25 LYS HA H 25 3.666 4.008 -0.342 1
1 315 . 4 1 1 A 25 25 LYS C C 25 178.200 178.836 -0.636 1
1 316 . 4 1 1 A 25 25 LYS CA C 25 60.350 59.523 0.827 1
1 317 . 4 1 1 A 25 25 LYS CB C 25 31.870 32.133 -0.263 1
1 321 . 4 1 1 A 25 25 LYS N N 25 119.319 118.809 0.510 1
1 322 . 4 1 1 A 26 26 THR H H 26 8.193 8.581 -0.388 1
1 323 . 4 1 1 A 26 26 THR HA H 26 3.803 4.016 -0.213 1
1 328 . 4 1 1 A 26 26 THR C C 26 175.400 176.523 -1.123 1
1 329 . 4 1 1 A 26 26 THR CA C 26 67.110 66.181 0.929 1
1 330 . 4 1 1 A 26 26 THR CB C 26 68.520 68.586 -0.066 1
1 332 . 4 1 1 A 26 26 THR N N 26 116.606 117.241 -0.635 1
1 333 . 4 1 1 A 27 27 ARG H H 27 8.032 8.016 0.016 1
1 334 . 4 1 1 A 27 27 ARG HA H 27 3.986 4.062 -0.076 1
1 342 . 4 1 1 A 27 27 ARG C C 27 179.900 178.521 1.379 1
1 343 . 4 1 1 A 27 27 ARG CA C 27 59.730 59.675 0.055 1
1 344 . 4 1 1 A 27 27 ARG CB C 27 31.850 29.873 1.977 1
1 347 . 4 1 1 A 27 27 ARG N N 27 121.054 121.254 -0.200 1
1 349 . 4 1 1 A 28 28 LEU H H 28 8.485 8.072 0.413 1
1 350 . 4 1 1 A 28 28 LEU HA H 28 4.270 4.153 0.117 1
1 360 . 4 1 1 A 28 28 LEU C C 28 178.000 178.546 -0.546 1
1 361 . 4 1 1 A 28 28 LEU CA C 28 58.090 57.570 0.520 1
1 362 . 4 1 1 A 28 28 LEU CB C 28 42.020 41.918 0.102 1
1 366 . 4 1 1 A 28 28 LEU N N 28 121.174 120.672 0.502 1
1 367 . 4 1 1 A 29 29 LYS H H 29 8.699 8.241 0.458 1
1 368 . 4 1 1 A 29 29 LYS HA H 29 3.899 4.049 -0.150 1
1 377 . 4 1 1 A 29 29 LYS C C 29 179.700 178.929 0.771 1
1 378 . 4 1 1 A 29 29 LYS CA C 29 60.760 59.691 1.069 1
1 379 . 4 1 1 A 29 29 LYS CB C 29 31.950 31.974 -0.024 1
1 383 . 4 1 1 A 29 29 LYS N N 29 121.221 119.739 1.482 1
1 384 . 4 1 1 A 30 30 VAL H H 30 8.616 7.969 0.647 1
1 385 . 4 1 1 A 30 30 VAL HA H 30 3.740 3.614 0.126 1
1 393 . 4 1 1 A 30 30 VAL C C 30 178.100 177.689 0.411 1
1 394 . 4 1 1 A 30 30 VAL CA C 30 66.610 66.131 0.479 1
1 395 . 4 1 1 A 30 30 VAL CB C 30 32.040 31.517 0.523 1
1 398 . 4 1 1 A 30 30 VAL N N 30 121.029 119.191 1.838 1
1 399 . 4 1 1 A 31 31 TYR H H 31 7.998 8.058 -0.060 1
1 400 . 4 1 1 A 31 31 TYR HA H 31 4.029 4.075 -0.046 1
1 407 . 4 1 1 A 31 31 TYR C C 31 179.000 177.875 1.125 1
1 408 . 4 1 1 A 31 31 TYR CA C 31 62.830 61.870 0.960 1
1 409 . 4 1 1 A 31 31 TYR CB C 31 39.040 38.571 0.469 1
1 414 . 4 1 1 A 31 31 TYR N N 31 121.235 120.856 0.379 1
1 415 . 4 1 1 A 32 32 CYS H H 32 8.833 8.662 0.171 1
1 416 . 4 1 1 A 32 32 CYS HA H 32 3.889 4.271 -0.382 1
1 419 . 4 1 1 A 32 32 CYS C C 32 176.800 176.654 0.146 1
1 420 . 4 1 1 A 32 32 CYS CA C 32 65.290 61.886 3.404 1
1 421 . 4 1 1 A 32 32 CYS CB C 32 26.040 26.954 -0.914 1
1 422 . 4 1 1 A 32 32 CYS N N 32 118.092 117.074 1.018 1
1 423 . 4 1 1 A 33 33 ALA H H 33 8.238 7.765 0.473 1
1 424 . 4 1 1 A 33 33 ALA HA H 33 4.215 4.136 0.079 1
1 428 . 4 1 1 A 33 33 ALA C C 33 180.900 179.511 1.389 1
1 429 . 4 1 1 A 33 33 ALA CA C 33 54.880 54.546 0.334 1
1 430 . 4 1 1 A 33 33 ALA CB C 33 18.010 18.460 -0.450 1
1 431 . 4 1 1 A 33 33 ALA N N 33 122.005 122.493 -0.488 1
1 432 . 4 1 1 A 34 34 LYS H H 34 7.883 8.071 -0.188 1
1 433 . 4 1 1 A 34 34 LYS HA H 34 4.044 4.021 0.023 1
1 442 . 4 1 1 A 34 34 LYS C C 34 177.100 178.168 -1.068 1
1 443 . 4 1 1 A 34 34 LYS CA C 34 58.490 59.185 -0.695 1
1 444 . 4 1 1 A 34 34 LYS CB C 34 32.900 32.552 0.348 1
1 448 . 4 1 1 A 34 34 LYS N N 34 117.252 118.403 -1.151 1
1 449 . 4 1 1 A 35 35 ASN H H 35 7.122 7.866 -0.744 1
1 450 . 4 1 1 A 35 35 ASN HA H 35 4.698 4.732 -0.034 1
1 455 . 4 1 1 A 35 35 ASN C C 35 172.600 174.378 -1.778 1
1 456 . 4 1 1 A 35 35 ASN CA C 35 53.490 52.607 0.883 1
1 457 . 4 1 1 A 35 35 ASN CB C 35 39.930 38.320 1.610 1
1 459 . 4 1 1 A 35 35 ASN N N 35 113.516 114.550 -1.034 1
1 461 . 4 1 1 A 36 36 ASN H H 36 7.650 7.985 -0.335 1
1 462 . 4 1 1 A 36 36 ASN HA H 36 4.364 4.445 -0.081 1
1 467 . 4 1 1 A 36 36 ASN C C 36 173.600 174.527 -0.927 1
1 468 . 4 1 1 A 36 36 ASN CA C 36 54.490 54.332 0.158 1
1 469 . 4 1 1 A 36 36 ASN CB C 36 37.050 37.533 -0.483 1
1 471 . 4 1 1 A 36 36 ASN N N 36 116.989 115.130 1.859 1
1 473 . 4 1 1 A 37 37 LEU H H 37 8.356 7.925 0.431 1
1 474 . 4 1 1 A 37 37 LEU HA H 37 4.741 4.321 0.420 1
1 484 . 4 1 1 A 37 37 LEU C C 37 177.100 176.615 0.485 1
1 485 . 4 1 1 A 37 37 LEU CA C 37 53.380 54.732 -1.352 1
1 486 . 4 1 1 A 37 37 LEU CB C 37 46.170 42.373 3.797 1
1 490 . 4 1 1 A 37 37 LEU N N 37 118.046 119.000 -0.954 1
1 491 . 4 1 1 A 38 38 GLN H H 38 8.649 8.845 -0.196 1
1 492 . 4 1 1 A 38 38 GLN HA H 38 4.436 4.354 0.082 1
1 499 . 4 1 1 A 38 38 GLN C C 38 177.400 177.098 0.302 1
1 500 . 4 1 1 A 38 38 GLN CA C 38 54.870 55.715 -0.845 1
1 501 . 4 1 1 A 38 38 GLN CB C 38 29.490 29.470 0.020 1
1 504 . 4 1 1 A 38 38 GLN N N 38 120.404 120.505 -0.101 1
1 506 . 4 1 1 A 39 39 LEU H H 39 8.862 8.641 0.221 1
1 507 . 4 1 1 A 39 39 LEU HA H 39 4.288 4.268 0.020 1
1 517 . 4 1 1 A 39 39 LEU C C 39 178.800 178.757 0.043 1
1 518 . 4 1 1 A 39 39 LEU CA C 39 59.270 58.278 0.992 1
1 519 . 4 1 1 A 39 39 LEU CB C 39 42.190 42.260 -0.070 1
1 523 . 4 1 1 A 39 39 LEU N N 39 126.026 125.913 0.113 1
1 524 . 4 1 1 A 40 40 THR H H 40 8.408 8.134 0.274 1
1 525 . 4 1 1 A 40 40 THR HA H 40 3.819 3.828 -0.009 1
1 530 . 4 1 1 A 40 40 THR C C 40 175.700 176.335 -0.635 1
1 531 . 4 1 1 A 40 40 THR CA C 40 66.760 67.045 -0.285 1
1 532 . 4 1 1 A 40 40 THR CB C 40 68.620 68.644 -0.024 1
1 534 . 4 1 1 A 40 40 THR N N 40 110.087 113.871 -3.784 1
1 535 . 4 1 1 A 41 41 GLN H H 41 6.817 8.416 -1.599 1
1 536 . 4 1 1 A 41 41 GLN HA H 41 4.192 3.920 0.272 1
1 543 . 4 1 1 A 41 41 GLN C C 41 178.000 178.057 -0.057 1
1 544 . 4 1 1 A 41 41 GLN CA C 41 58.650 58.760 -0.110 1
1 545 . 4 1 1 A 41 41 GLN CB C 41 28.850 28.310 0.540 1
1 547 . 4 1 1 A 41 41 GLN N N 41 119.955 120.904 -0.949 1
1 549 . 4 1 1 A 42 42 ALA H H 42 7.755 7.946 -0.191 1
1 550 . 4 1 1 A 42 42 ALA HA H 42 4.002 4.109 -0.107 1
1 554 . 4 1 1 A 42 42 ALA C C 42 178.300 179.815 -1.515 1
1 555 . 4 1 1 A 42 42 ALA CA C 42 55.190 55.027 0.163 1
1 556 . 4 1 1 A 42 42 ALA CB C 42 19.570 18.234 1.336 1
1 557 . 4 1 1 A 42 42 ALA N N 42 121.978 121.726 0.252 1
1 558 . 4 1 1 A 43 43 ILE H H 43 8.118 8.072 0.046 1
1 559 . 4 1 1 A 43 43 ILE HA H 43 3.184 3.536 -0.352 1
1 569 . 4 1 1 A 43 43 ILE C C 43 177.300 177.822 -0.522 1
1 570 . 4 1 1 A 43 43 ILE CA C 43 65.600 65.391 0.209 1
1 571 . 4 1 1 A 43 43 ILE CB C 43 37.550 37.756 -0.206 1
1 574 . 4 1 1 A 43 43 ILE N N 43 115.574 118.947 -3.373 1
1 575 . 4 1 1 A 44 44 GLU H H 44 7.990 8.553 -0.563 1
1 576 . 4 1 1 A 44 44 GLU HA H 44 3.678 3.921 -0.243 1
1 581 . 4 1 1 A 44 44 GLU C C 44 178.400 179.713 -1.313 1
1 582 . 4 1 1 A 44 44 GLU CA C 44 61.090 59.934 1.156 1
1 583 . 4 1 1 A 44 44 GLU CB C 44 29.630 29.464 0.166 1
1 585 . 4 1 1 A 44 44 GLU N N 44 118.630 119.053 -0.423 1
1 586 . 4 1 1 A 45 45 GLU H H 45 8.110 8.252 -0.142 1
1 587 . 4 1 1 A 45 45 GLU HA H 45 3.939 4.016 -0.077 1
1 592 . 4 1 1 A 45 45 GLU C C 45 178.600 179.183 -0.583 1
1 593 . 4 1 1 A 45 45 GLU CA C 45 59.650 59.183 0.467 1
1 594 . 4 1 1 A 45 45 GLU CB C 45 29.730 29.356 0.374 1
1 596 . 4 1 1 A 45 45 GLU N N 45 118.927 120.816 -1.889 1
1 597 . 4 1 1 A 46 46 ALA H H 46 8.363 8.416 -0.053 1
1 598 . 4 1 1 A 46 46 ALA HA H 46 3.859 4.053 -0.194 1
1 602 . 4 1 1 A 46 46 ALA C C 46 181.500 179.553 1.947 1
1 603 . 4 1 1 A 46 46 ALA CA C 46 55.080 55.146 -0.066 1
1 604 . 4 1 1 A 46 46 ALA CB C 46 17.090 18.713 -1.623 1
1 605 . 4 1 1 A 46 46 ALA N N 46 120.991 121.985 -0.994 1
1 606 . 4 1 1 A 47 47 ILE H H 47 8.496 8.647 -0.151 1
1 607 . 4 1 1 A 47 47 ILE HA H 47 3.447 3.976 -0.529 1
1 617 . 4 1 1 A 47 47 ILE C C 47 177.000 177.662 -0.662 1
1 618 . 4 1 1 A 47 47 ILE CA C 47 65.110 62.653 2.457 1
1 619 . 4 1 1 A 47 47 ILE CB C 47 37.522 37.644 -0.122 1
1 623 . 4 1 1 A 47 47 ILE N N 47 120.499 118.052 2.447 1
1 624 . 4 1 1 A 48 48 LYS H H 48 8.546 8.139 0.407 1
1 625 . 4 1 1 A 48 48 LYS HA H 48 3.763 3.989 -0.226 1
1 634 . 4 1 1 A 48 48 LYS C C 48 179.400 179.887 -0.487 1
1 635 . 4 1 1 A 48 48 LYS CA C 48 61.430 59.475 1.955 1
1 636 . 4 1 1 A 48 48 LYS CB C 48 32.340 32.027 0.313 1
1 640 . 4 1 1 A 48 48 LYS N N 48 121.030 121.764 -0.734 1
1 641 . 4 1 1 A 49 49 GLU H H 49 8.518 8.345 0.173 1
1 642 . 4 1 1 A 49 49 GLU HA H 49 3.979 4.142 -0.163 1
1 647 . 4 1 1 A 49 49 GLU C C 49 178.400 178.609 -0.209 1
1 648 . 4 1 1 A 49 49 GLU CA C 49 60.230 58.784 1.446 1
1 649 . 4 1 1 A 49 49 GLU CB C 49 29.960 29.142 0.818 1
1 651 . 4 1 1 A 49 49 GLU N N 49 118.574 118.439 0.135 1
1 652 . 4 1 1 A 50 50 TYR H H 50 7.980 8.054 -0.074 1
1 653 . 4 1 1 A 50 50 TYR HA H 50 4.160 4.221 -0.061 1
1 660 . 4 1 1 A 50 50 TYR C C 50 178.000 177.062 0.938 1
1 661 . 4 1 1 A 50 50 TYR CA C 50 60.670 61.348 -0.678 1
1 662 . 4 1 1 A 50 50 TYR CB C 50 39.550 38.404 1.146 1
1 667 . 4 1 1 A 50 50 TYR N N 50 121.810 123.328 -1.518 1
1 668 . 4 1 1 A 51 51 LEU H H 51 8.342 8.366 -0.024 1
1 669 . 4 1 1 A 51 51 LEU HA H 51 3.464 3.707 -0.243 1
1 679 . 4 1 1 A 51 51 LEU C C 51 179.600 179.341 0.259 1
1 680 . 4 1 1 A 51 51 LEU CA C 51 57.140 57.763 -0.623 1
1 681 . 4 1 1 A 51 51 LEU CB C 51 41.780 41.443 0.337 1
1 685 . 4 1 1 A 51 51 LEU N N 51 117.934 119.750 -1.816 1
1 686 . 4 1 1 A 52 52 GLN H H 52 8.397 7.951 0.446 1
1 687 . 4 1 1 A 52 52 GLN HA H 52 4.052 3.943 0.109 1
1 694 . 4 1 1 A 52 52 GLN C C 52 179.500 178.970 0.530 1
1 695 . 4 1 1 A 52 52 GLN CA C 52 59.140 58.999 0.141 1
1 696 . 4 1 1 A 52 52 GLN CB C 52 28.230 28.284 -0.054 1
1 699 . 4 1 1 A 52 52 GLN N N 52 120.458 118.830 1.628 1
1 701 . 4 1 1 A 53 53 LYS H H 53 7.534 7.801 -0.267 1
1 702 . 4 1 1 A 53 53 LYS HA H 53 4.038 4.055 -0.017 1
1 711 . 4 1 1 A 53 53 LYS C C 53 176.900 178.422 -1.522 1
1 712 . 4 1 1 A 53 53 LYS CA C 53 58.330 58.571 -0.241 1
1 713 . 4 1 1 A 53 53 LYS CB C 53 32.720 32.019 0.701 1
1 717 . 4 1 1 A 53 53 LYS N N 53 118.094 120.812 -2.718 1
1 718 . 4 1 1 A 54 54 ARG H H 54 6.789 7.623 -0.834 1
1 719 . 4 1 1 A 54 54 ARG HA H 54 4.155 4.222 -0.067 1
1 727 . 4 1 1 A 54 54 ARG C C 54 174.500 176.527 -2.027 1
1 728 . 4 1 1 A 54 54 ARG CA C 54 55.560 57.594 -2.034 1
1 729 . 4 1 1 A 54 54 ARG CB C 54 29.660 31.842 -2.182 1
1 732 . 4 1 1 A 54 54 ARG N N 54 116.828 118.425 -1.597 1
1 734 . 4 1 1 A 55 55 ASN H H 55 7.651 8.160 -0.509 1
1 735 . 4 1 1 A 55 55 ASN HA H 55 4.456 4.729 -0.273 1
1 740 . 4 1 1 A 55 55 ASN C C 55 174.100 176.668 -2.568 1
1 741 . 4 1 1 A 55 55 ASN CA C 55 54.760 53.794 0.966 1
1 742 . 4 1 1 A 55 55 ASN CB C 55 37.370 39.667 -2.297 1
1 744 . 4 1 1 A 55 55 ASN N N 55 115.626 114.090 1.536 1
1 130 . 5 1 1 A 12 12 GLN H H 12 8.154 7.886 0.268 1
1 131 . 5 1 1 A 12 12 GLN HA H 12 4.247 4.915 -0.668 1
1 136 . 5 1 1 A 12 12 GLN C C 12 175.800 175.264 0.536 1
1 137 . 5 1 1 A 12 12 GLN CA C 12 56.670 54.623 2.047 1
1 138 . 5 1 1 A 12 12 GLN CB C 12 33.855 30.712 3.143 1
1 140 . 5 1 1 A 12 12 GLN N N 12 121.590 114.945 6.645 1
1 141 . 5 1 1 A 13 13 LYS H H 13 8.408 8.802 -0.394 1
1 142 . 5 1 1 A 13 13 LYS HA H 13 4.538 4.810 -0.272 1
1 151 . 5 1 1 A 13 13 LYS C C 13 175.500 175.918 -0.418 1
1 152 . 5 1 1 A 13 13 LYS CA C 13 55.500 55.741 -0.241 1
1 153 . 5 1 1 A 13 13 LYS CB C 13 34.580 33.403 1.177 1
1 157 . 5 1 1 A 13 13 LYS N N 13 121.913 122.468 -0.555 1
1 158 . 5 1 1 A 14 14 ALA H H 14 8.771 8.760 0.011 1
1 159 . 5 1 1 A 14 14 ALA HA H 14 4.581 5.212 -0.631 1
1 163 . 5 1 1 A 14 14 ALA C C 14 176.100 175.331 0.769 1
1 164 . 5 1 1 A 14 14 ALA CA C 14 51.250 50.611 0.639 1
1 165 . 5 1 1 A 14 14 ALA CB C 14 21.540 24.282 -2.742 1
1 166 . 5 1 1 A 14 14 ALA N N 14 124.191 122.654 1.537 1
1 167 . 5 1 1 A 15 15 VAL H H 15 8.287 8.609 -0.322 1
1 168 . 5 1 1 A 15 15 VAL HA H 15 4.405 5.104 -0.699 1
1 176 . 5 1 1 A 15 15 VAL C C 15 175.300 175.077 0.223 1
1 177 . 5 1 1 A 15 15 VAL CA C 15 61.530 60.508 1.022 1
1 178 . 5 1 1 A 15 15 VAL CB C 15 32.980 34.584 -1.604 1
1 181 . 5 1 1 A 15 15 VAL N N 15 121.035 118.199 2.836 1
1 182 . 5 1 1 A 16 16 PHE H H 16 8.757 8.912 -0.155 1
1 183 . 5 1 1 A 16 16 PHE HA H 16 4.770 5.121 -0.351 1
1 191 . 5 1 1 A 16 16 PHE C C 16 173.200 173.611 -0.411 1
1 192 . 5 1 1 A 16 16 PHE CA C 16 56.180 56.557 -0.377 1
1 193 . 5 1 1 A 16 16 PHE CB C 16 40.820 42.270 -1.450 1
1 198 . 5 1 1 A 16 16 PHE N N 16 126.504 126.274 0.230 1
1 199 . 5 1 1 A 17 17 GLY H H 17 8.305 8.672 -0.367 1
1 200 . 5 1 1 A 17 17 GLY HA2 H 17 4.342 3.993 0.349 1
1 201 . 5 1 1 A 17 17 GLY HA3 H 17 3.240 4.005 -0.765 1
1 202 . 5 1 1 A 17 17 GLY C C 17 172.682 172.265 0.417 1
1 203 . 5 1 1 A 17 17 GLY CA C 17 45.070 44.839 0.231 1
1 204 . 5 1 1 A 17 17 GLY N N 17 111.670 111.724 -0.054 1
1 205 . 5 1 1 A 18 18 ILE H H 18 8.375 8.473 -0.098 1
1 206 . 5 1 1 A 18 18 ILE HA H 18 4.245 4.700 -0.455 1
1 216 . 5 1 1 A 18 18 ILE C C 18 173.700 173.730 -0.030 1
1 217 . 5 1 1 A 18 18 ILE CA C 18 59.240 58.308 0.932 1
1 218 . 5 1 1 A 18 18 ILE CB C 18 40.310 41.417 -1.107 1
1 222 . 5 1 1 A 18 18 ILE N N 18 120.812 120.344 0.468 1
1 223 . 5 1 1 A 19 19 TYR H H 19 8.293 8.567 -0.274 1
1 224 . 5 1 1 A 19 19 TYR HA H 19 4.942 4.991 -0.049 1
1 231 . 5 1 1 A 19 19 TYR C C 19 174.900 175.444 -0.544 1
1 232 . 5 1 1 A 19 19 TYR CA C 19 56.730 56.601 0.129 1
1 233 . 5 1 1 A 19 19 TYR CB C 19 39.200 38.661 0.539 1
1 238 . 5 1 1 A 19 19 TYR N N 19 123.869 121.128 2.741 1
1 239 . 5 1 1 A 20 20 MET H H 20 8.513 8.617 -0.104 1
1 240 . 5 1 1 A 20 20 MET HA H 20 4.727 5.381 -0.654 1
1 248 . 5 1 1 A 20 20 MET C C 20 174.100 176.071 -1.971 1
1 249 . 5 1 1 A 20 20 MET CA C 20 54.350 53.031 1.319 1
1 250 . 5 1 1 A 20 20 MET CB C 20 37.450 35.522 1.928 1
1 253 . 5 1 1 A 20 20 MET N N 20 120.765 121.984 -1.219 1
1 254 . 5 1 1 A 21 21 ASP H H 21 9.139 8.680 0.459 1
1 255 . 5 1 1 A 21 21 ASP HA H 21 4.418 4.613 -0.195 1
1 258 . 5 1 1 A 21 21 ASP C C 21 176.600 177.039 -0.439 1
1 259 . 5 1 1 A 21 21 ASP CA C 21 55.560 54.716 0.844 1
1 260 . 5 1 1 A 21 21 ASP CB C 21 42.910 41.485 1.425 1
1 261 . 5 1 1 A 21 21 ASP N N 21 125.274 120.347 4.927 1
1 262 . 5 1 1 A 22 22 LYS H H 22 8.821 8.721 0.100 1
1 263 . 5 1 1 A 22 22 LYS HA H 22 3.851 4.004 -0.153 1
1 272 . 5 1 1 A 22 22 LYS C C 22 178.200 177.708 0.492 1
1 273 . 5 1 1 A 22 22 LYS CA C 22 60.170 59.402 0.768 1
1 274 . 5 1 1 A 22 22 LYS CB C 22 32.780 32.412 0.368 1
1 278 . 5 1 1 A 22 22 LYS N N 22 126.689 123.610 3.079 1
1 279 . 5 1 1 A 23 23 ASP H H 23 8.421 8.149 0.272 1
1 280 . 5 1 1 A 23 23 ASP HA H 23 4.454 4.324 0.130 1
1 283 . 5 1 1 A 23 23 ASP C C 23 178.700 178.211 0.489 1
1 284 . 5 1 1 A 23 23 ASP CA C 23 57.310 57.284 0.026 1
1 285 . 5 1 1 A 23 23 ASP CB C 23 40.200 41.829 -1.629 1
1 286 . 5 1 1 A 23 23 ASP N N 23 120.894 119.536 1.358 1
1 287 . 5 1 1 A 24 24 LEU H H 24 8.079 7.891 0.188 1
1 288 . 5 1 1 A 24 24 LEU HA H 24 4.029 4.156 -0.127 1
1 298 . 5 1 1 A 24 24 LEU C C 24 177.900 178.354 -0.454 1
1 299 . 5 1 1 A 24 24 LEU CA C 24 57.460 57.709 -0.249 1
1 300 . 5 1 1 A 24 24 LEU CB C 24 42.000 41.824 0.176 1
1 304 . 5 1 1 A 24 24 LEU N N 24 123.406 120.140 3.266 1
1 305 . 5 1 1 A 25 25 LYS H H 25 7.976 8.044 -0.068 1
1 306 . 5 1 1 A 25 25 LYS HA H 25 3.666 4.040 -0.374 1
1 315 . 5 1 1 A 25 25 LYS C C 25 178.200 179.031 -0.831 1
1 316 . 5 1 1 A 25 25 LYS CA C 25 60.350 59.445 0.905 1
1 317 . 5 1 1 A 25 25 LYS CB C 25 31.870 32.123 -0.253 1
1 321 . 5 1 1 A 25 25 LYS N N 25 119.319 118.936 0.383 1
1 322 . 5 1 1 A 26 26 THR H H 26 8.193 8.773 -0.580 1
1 323 . 5 1 1 A 26 26 THR HA H 26 3.803 3.985 -0.182 1
1 328 . 5 1 1 A 26 26 THR C C 26 175.400 176.351 -0.951 1
1 329 . 5 1 1 A 26 26 THR CA C 26 67.110 66.709 0.401 1
1 330 . 5 1 1 A 26 26 THR CB C 26 68.520 68.390 0.130 1
1 332 . 5 1 1 A 26 26 THR N N 26 116.606 117.701 -1.095 1
1 333 . 5 1 1 A 27 27 ARG H H 27 8.032 7.941 0.091 1
1 334 . 5 1 1 A 27 27 ARG HA H 27 3.986 4.080 -0.094 1
1 342 . 5 1 1 A 27 27 ARG C C 27 179.900 178.576 1.324 1
1 343 . 5 1 1 A 27 27 ARG CA C 27 59.730 59.686 0.044 1
1 344 . 5 1 1 A 27 27 ARG CB C 27 31.850 29.840 2.010 1
1 347 . 5 1 1 A 27 27 ARG N N 27 121.054 121.041 0.013 1
1 349 . 5 1 1 A 28 28 LEU H H 28 8.485 7.938 0.547 1
1 350 . 5 1 1 A 28 28 LEU HA H 28 4.270 4.143 0.127 1
1 360 . 5 1 1 A 28 28 LEU C C 28 178.000 178.511 -0.511 1
1 361 . 5 1 1 A 28 28 LEU CA C 28 58.090 57.687 0.403 1
1 362 . 5 1 1 A 28 28 LEU CB C 28 42.020 41.988 0.032 1
1 366 . 5 1 1 A 28 28 LEU N N 28 121.174 120.839 0.335 1
1 367 . 5 1 1 A 29 29 LYS H H 29 8.699 8.325 0.374 1
1 368 . 5 1 1 A 29 29 LYS HA H 29 3.899 4.024 -0.125 1
1 377 . 5 1 1 A 29 29 LYS C C 29 179.700 178.808 0.892 1
1 378 . 5 1 1 A 29 29 LYS CA C 29 60.760 59.651 1.109 1
1 379 . 5 1 1 A 29 29 LYS CB C 29 31.950 32.053 -0.103 1
1 383 . 5 1 1 A 29 29 LYS N N 29 121.221 119.696 1.525 1
1 384 . 5 1 1 A 30 30 VAL H H 30 8.616 7.700 0.916 1
1 385 . 5 1 1 A 30 30 VAL HA H 30 3.740 3.648 0.092 1
1 393 . 5 1 1 A 30 30 VAL C C 30 178.100 177.644 0.456 1
1 394 . 5 1 1 A 30 30 VAL CA C 30 66.610 65.994 0.616 1
1 395 . 5 1 1 A 30 30 VAL CB C 30 32.040 31.542 0.498 1
1 398 . 5 1 1 A 30 30 VAL N N 30 121.029 119.103 1.926 1
1 399 . 5 1 1 A 31 31 TYR H H 31 7.998 7.905 0.093 1
1 400 . 5 1 1 A 31 31 TYR HA H 31 4.029 4.125 -0.096 1
1 407 . 5 1 1 A 31 31 TYR C C 31 179.000 177.839 1.161 1
1 408 . 5 1 1 A 31 31 TYR CA C 31 62.830 61.986 0.844 1
1 409 . 5 1 1 A 31 31 TYR CB C 31 39.040 38.575 0.465 1
1 414 . 5 1 1 A 31 31 TYR N N 31 121.235 120.974 0.261 1
1 415 . 5 1 1 A 32 32 CYS H H 32 8.833 8.632 0.201 1
1 416 . 5 1 1 A 32 32 CYS HA H 32 3.889 4.184 -0.295 1
1 419 . 5 1 1 A 32 32 CYS C C 32 176.800 176.651 0.149 1
1 420 . 5 1 1 A 32 32 CYS CA C 32 65.290 61.842 3.448 1
1 421 . 5 1 1 A 32 32 CYS CB C 32 26.040 27.043 -1.003 1
1 422 . 5 1 1 A 32 32 CYS N N 32 118.092 117.080 1.012 1
1 423 . 5 1 1 A 33 33 ALA H H 33 8.238 7.655 0.583 1
1 424 . 5 1 1 A 33 33 ALA HA H 33 4.215 4.123 0.092 1
1 428 . 5 1 1 A 33 33 ALA C C 33 180.900 179.646 1.254 1
1 429 . 5 1 1 A 33 33 ALA CA C 33 54.880 54.681 0.199 1
1 430 . 5 1 1 A 33 33 ALA CB C 33 18.010 18.488 -0.478 1
1 431 . 5 1 1 A 33 33 ALA N N 33 122.005 122.450 -0.445 1
1 432 . 5 1 1 A 34 34 LYS H H 34 7.883 7.937 -0.054 1
1 433 . 5 1 1 A 34 34 LYS HA H 34 4.044 4.025 0.019 1
1 442 . 5 1 1 A 34 34 LYS C C 34 177.100 178.153 -1.053 1
1 443 . 5 1 1 A 34 34 LYS CA C 34 58.490 59.067 -0.577 1
1 444 . 5 1 1 A 34 34 LYS CB C 34 32.900 32.180 0.720 1
1 448 . 5 1 1 A 34 34 LYS N N 34 117.252 118.144 -0.892 1
1 449 . 5 1 1 A 35 35 ASN H H 35 7.122 7.893 -0.771 1
1 450 . 5 1 1 A 35 35 ASN HA H 35 4.698 4.720 -0.022 1
1 455 . 5 1 1 A 35 35 ASN C C 35 172.600 174.311 -1.711 1
1 456 . 5 1 1 A 35 35 ASN CA C 35 53.490 52.600 0.890 1
1 457 . 5 1 1 A 35 35 ASN CB C 35 39.930 38.306 1.624 1
1 459 . 5 1 1 A 35 35 ASN N N 35 113.516 114.411 -0.895 1
1 461 . 5 1 1 A 36 36 ASN H H 36 7.650 7.979 -0.329 1
1 462 . 5 1 1 A 36 36 ASN HA H 36 4.364 4.365 -0.001 1
1 467 . 5 1 1 A 36 36 ASN C C 36 173.600 174.466 -0.866 1
1 468 . 5 1 1 A 36 36 ASN CA C 36 54.490 54.346 0.144 1
1 469 . 5 1 1 A 36 36 ASN CB C 36 37.050 37.358 -0.308 1
1 471 . 5 1 1 A 36 36 ASN N N 36 116.989 115.243 1.746 1
1 473 . 5 1 1 A 37 37 LEU H H 37 8.356 7.881 0.475 1
1 474 . 5 1 1 A 37 37 LEU HA H 37 4.741 4.320 0.421 1
1 484 . 5 1 1 A 37 37 LEU C C 37 177.100 176.628 0.472 1
1 485 . 5 1 1 A 37 37 LEU CA C 37 53.380 54.659 -1.279 1
1 486 . 5 1 1 A 37 37 LEU CB C 37 46.170 42.328 3.842 1
1 490 . 5 1 1 A 37 37 LEU N N 37 118.046 118.997 -0.951 1
1 491 . 5 1 1 A 38 38 GLN H H 38 8.649 8.799 -0.150 1
1 492 . 5 1 1 A 38 38 GLN HA H 38 4.436 4.378 0.058 1
1 499 . 5 1 1 A 38 38 GLN C C 38 177.400 177.079 0.321 1
1 500 . 5 1 1 A 38 38 GLN CA C 38 54.870 55.480 -0.610 1
1 501 . 5 1 1 A 38 38 GLN CB C 38 29.490 29.624 -0.134 1
1 504 . 5 1 1 A 38 38 GLN N N 38 120.404 120.641 -0.237 1
1 506 . 5 1 1 A 39 39 LEU H H 39 8.862 8.628 0.234 1
1 507 . 5 1 1 A 39 39 LEU HA H 39 4.288 4.230 0.058 1
1 517 . 5 1 1 A 39 39 LEU C C 39 178.800 178.709 0.091 1
1 518 . 5 1 1 A 39 39 LEU CA C 39 59.270 58.545 0.725 1
1 519 . 5 1 1 A 39 39 LEU CB C 39 42.190 42.215 -0.025 1
1 523 . 5 1 1 A 39 39 LEU N N 39 126.026 126.558 -0.532 1
1 524 . 5 1 1 A 40 40 THR H H 40 8.408 8.206 0.202 1
1 525 . 5 1 1 A 40 40 THR HA H 40 3.819 3.838 -0.019 1
1 530 . 5 1 1 A 40 40 THR C C 40 175.700 176.418 -0.718 1
1 531 . 5 1 1 A 40 40 THR CA C 40 66.760 67.177 -0.417 1
1 532 . 5 1 1 A 40 40 THR CB C 40 68.620 68.627 -0.007 1
1 534 . 5 1 1 A 40 40 THR N N 40 110.087 113.860 -3.773 1
1 535 . 5 1 1 A 41 41 GLN H H 41 6.817 8.416 -1.599 1
1 536 . 5 1 1 A 41 41 GLN HA H 41 4.192 3.961 0.231 1
1 543 . 5 1 1 A 41 41 GLN C C 41 178.000 178.027 -0.027 1
1 544 . 5 1 1 A 41 41 GLN CA C 41 58.650 58.721 -0.071 1
1 545 . 5 1 1 A 41 41 GLN CB C 41 28.850 28.143 0.707 1
1 547 . 5 1 1 A 41 41 GLN N N 41 119.955 121.115 -1.160 1
1 549 . 5 1 1 A 42 42 ALA H H 42 7.755 7.932 -0.177 1
1 550 . 5 1 1 A 42 42 ALA HA H 42 4.002 4.134 -0.132 1
1 554 . 5 1 1 A 42 42 ALA C C 42 178.300 179.612 -1.312 1
1 555 . 5 1 1 A 42 42 ALA CA C 42 55.190 54.796 0.394 1
1 556 . 5 1 1 A 42 42 ALA CB C 42 19.570 18.505 1.065 1
1 557 . 5 1 1 A 42 42 ALA N N 42 121.978 122.034 -0.056 1
1 558 . 5 1 1 A 43 43 ILE H H 43 8.118 8.198 -0.080 1
1 559 . 5 1 1 A 43 43 ILE HA H 43 3.184 3.521 -0.337 1
1 569 . 5 1 1 A 43 43 ILE C C 43 177.300 177.747 -0.447 1
1 570 . 5 1 1 A 43 43 ILE CA C 43 65.600 65.392 0.208 1
1 571 . 5 1 1 A 43 43 ILE CB C 43 37.550 37.755 -0.205 1
1 574 . 5 1 1 A 43 43 ILE N N 43 115.574 118.573 -2.999 1
1 575 . 5 1 1 A 44 44 GLU H H 44 7.990 8.542 -0.552 1
1 576 . 5 1 1 A 44 44 GLU HA H 44 3.678 3.903 -0.225 1
1 581 . 5 1 1 A 44 44 GLU C C 44 178.400 179.612 -1.212 1
1 582 . 5 1 1 A 44 44 GLU CA C 44 61.090 59.977 1.113 1
1 583 . 5 1 1 A 44 44 GLU CB C 44 29.630 29.467 0.163 1
1 585 . 5 1 1 A 44 44 GLU N N 44 118.630 118.992 -0.362 1
1 586 . 5 1 1 A 45 45 GLU H H 45 8.110 8.373 -0.263 1
1 587 . 5 1 1 A 45 45 GLU HA H 45 3.939 3.990 -0.051 1
1 592 . 5 1 1 A 45 45 GLU C C 45 178.600 179.001 -0.401 1
1 593 . 5 1 1 A 45 45 GLU CA C 45 59.650 59.481 0.169 1
1 594 . 5 1 1 A 45 45 GLU CB C 45 29.730 29.471 0.259 1
1 596 . 5 1 1 A 45 45 GLU N N 45 118.927 120.557 -1.630 1
1 597 . 5 1 1 A 46 46 ALA H H 46 8.363 8.265 0.098 1
1 598 . 5 1 1 A 46 46 ALA HA H 46 3.859 4.060 -0.201 1
1 602 . 5 1 1 A 46 46 ALA C C 46 181.500 179.575 1.925 1
1 603 . 5 1 1 A 46 46 ALA CA C 46 55.080 55.140 -0.060 1
1 604 . 5 1 1 A 46 46 ALA CB C 46 17.090 18.696 -1.606 1
1 605 . 5 1 1 A 46 46 ALA N N 46 120.991 121.830 -0.839 1
1 606 . 5 1 1 A 47 47 ILE H H 47 8.496 8.551 -0.055 1
1 607 . 5 1 1 A 47 47 ILE HA H 47 3.447 3.983 -0.536 1
1 617 . 5 1 1 A 47 47 ILE C C 47 177.000 177.646 -0.646 1
1 618 . 5 1 1 A 47 47 ILE CA C 47 65.110 62.658 2.452 1
1 619 . 5 1 1 A 47 47 ILE CB C 47 37.522 37.639 -0.117 1
1 623 . 5 1 1 A 47 47 ILE N N 47 120.499 118.049 2.450 1
1 624 . 5 1 1 A 48 48 LYS H H 48 8.546 8.098 0.448 1
1 625 . 5 1 1 A 48 48 LYS HA H 48 3.763 4.044 -0.281 1
1 634 . 5 1 1 A 48 48 LYS C C 48 179.400 179.730 -0.330 1
1 635 . 5 1 1 A 48 48 LYS CA C 48 61.430 59.680 1.750 1
1 636 . 5 1 1 A 48 48 LYS CB C 48 32.340 32.181 0.159 1
1 640 . 5 1 1 A 48 48 LYS N N 48 121.030 121.603 -0.573 1
1 641 . 5 1 1 A 49 49 GLU H H 49 8.518 8.392 0.126 1
1 642 . 5 1 1 A 49 49 GLU HA H 49 3.979 4.062 -0.083 1
1 647 . 5 1 1 A 49 49 GLU C C 49 178.400 178.658 -0.258 1
1 648 . 5 1 1 A 49 49 GLU CA C 49 60.230 59.059 1.171 1
1 649 . 5 1 1 A 49 49 GLU CB C 49 29.960 29.636 0.324 1
1 651 . 5 1 1 A 49 49 GLU N N 49 118.574 118.195 0.379 1
1 652 . 5 1 1 A 50 50 TYR H H 50 7.980 8.042 -0.062 1
1 653 . 5 1 1 A 50 50 TYR HA H 50 4.160 4.210 -0.050 1
1 660 . 5 1 1 A 50 50 TYR C C 50 178.000 177.178 0.822 1
1 661 . 5 1 1 A 50 50 TYR CA C 50 60.670 61.409 -0.739 1
1 662 . 5 1 1 A 50 50 TYR CB C 50 39.550 38.553 0.997 1
1 667 . 5 1 1 A 50 50 TYR N N 50 121.810 123.423 -1.613 1
1 668 . 5 1 1 A 51 51 LEU H H 51 8.342 8.325 0.017 1
1 669 . 5 1 1 A 51 51 LEU HA H 51 3.464 3.679 -0.215 1
1 679 . 5 1 1 A 51 51 LEU C C 51 179.600 179.541 0.059 1
1 680 . 5 1 1 A 51 51 LEU CA C 51 57.140 57.793 -0.653 1
1 681 . 5 1 1 A 51 51 LEU CB C 51 41.780 41.379 0.401 1
1 685 . 5 1 1 A 51 51 LEU N N 51 117.934 119.572 -1.638 1
1 686 . 5 1 1 A 52 52 GLN H H 52 8.397 7.663 0.734 1
1 687 . 5 1 1 A 52 52 GLN HA H 52 4.052 3.978 0.074 1
1 694 . 5 1 1 A 52 52 GLN C C 52 179.500 179.214 0.286 1
1 695 . 5 1 1 A 52 52 GLN CA C 52 59.140 58.932 0.208 1
1 696 . 5 1 1 A 52 52 GLN CB C 52 28.230 28.310 -0.080 1
1 699 . 5 1 1 A 52 52 GLN N N 52 120.458 118.689 1.769 1
1 701 . 5 1 1 A 53 53 LYS H H 53 7.534 8.044 -0.510 1
1 702 . 5 1 1 A 53 53 LYS HA H 53 4.038 4.002 0.036 1
1 711 . 5 1 1 A 53 53 LYS C C 53 176.900 178.181 -1.281 1
1 712 . 5 1 1 A 53 53 LYS CA C 53 58.330 58.782 -0.452 1
1 713 . 5 1 1 A 53 53 LYS CB C 53 32.720 31.812 0.908 1
1 717 . 5 1 1 A 53 53 LYS N N 53 118.094 121.212 -3.118 1
1 718 . 5 1 1 A 54 54 ARG H H 54 6.789 7.646 -0.857 1
1 719 . 5 1 1 A 54 54 ARG HA H 54 4.155 4.194 -0.039 1
1 727 . 5 1 1 A 54 54 ARG C C 54 174.500 176.538 -2.038 1
1 728 . 5 1 1 A 54 54 ARG CA C 54 55.560 57.607 -2.047 1
1 729 . 5 1 1 A 54 54 ARG CB C 54 29.660 31.511 -1.851 1
1 732 . 5 1 1 A 54 54 ARG N N 54 116.828 118.208 -1.380 1
1 734 . 5 1 1 A 55 55 ASN H H 55 7.651 7.917 -0.266 1
1 735 . 5 1 1 A 55 55 ASN HA H 55 4.456 4.753 -0.297 1
1 740 . 5 1 1 A 55 55 ASN C C 55 174.100 176.747 -2.647 1
1 741 . 5 1 1 A 55 55 ASN CA C 55 54.760 53.784 0.976 1
1 742 . 5 1 1 A 55 55 ASN CB C 55 37.370 39.675 -2.305 1
1 744 . 5 1 1 A 55 55 ASN N N 55 115.626 113.951 1.675 1
1 130 . 6 1 1 A 12 12 GLN H H 12 8.154 8.870 -0.716 1
1 131 . 6 1 1 A 12 12 GLN HA H 12 4.247 3.874 0.373 1
1 136 . 6 1 1 A 12 12 GLN C C 12 175.800 174.950 0.850 1
1 137 . 6 1 1 A 12 12 GLN CA C 12 56.670 58.450 -1.780 1
1 138 . 6 1 1 A 12 12 GLN CB C 12 33.855 26.469 7.386 1
1 140 . 6 1 1 A 12 12 GLN N N 12 121.590 119.430 2.160 1
1 141 . 6 1 1 A 13 13 LYS H H 13 8.408 8.417 -0.009 1
1 142 . 6 1 1 A 13 13 LYS HA H 13 4.538 4.831 -0.293 1
1 151 . 6 1 1 A 13 13 LYS C C 13 175.500 175.458 0.042 1
1 152 . 6 1 1 A 13 13 LYS CA C 13 55.500 55.079 0.421 1
1 153 . 6 1 1 A 13 13 LYS CB C 13 34.580 34.265 0.315 1
1 157 . 6 1 1 A 13 13 LYS N N 13 121.913 116.395 5.518 1
1 158 . 6 1 1 A 14 14 ALA H H 14 8.771 8.647 0.124 1
1 159 . 6 1 1 A 14 14 ALA HA H 14 4.581 5.224 -0.643 1
1 163 . 6 1 1 A 14 14 ALA C C 14 176.100 175.410 0.690 1
1 164 . 6 1 1 A 14 14 ALA CA C 14 51.250 50.601 0.649 1
1 165 . 6 1 1 A 14 14 ALA CB C 14 21.540 24.172 -2.632 1
1 166 . 6 1 1 A 14 14 ALA N N 14 124.191 121.598 2.593 1
1 167 . 6 1 1 A 15 15 VAL H H 15 8.287 8.654 -0.367 1
1 168 . 6 1 1 A 15 15 VAL HA H 15 4.405 5.095 -0.690 1
1 176 . 6 1 1 A 15 15 VAL C C 15 175.300 175.129 0.171 1
1 177 . 6 1 1 A 15 15 VAL CA C 15 61.530 60.585 0.945 1
1 178 . 6 1 1 A 15 15 VAL CB C 15 32.980 34.461 -1.481 1
1 181 . 6 1 1 A 15 15 VAL N N 15 121.035 118.768 2.267 1
1 182 . 6 1 1 A 16 16 PHE H H 16 8.757 8.896 -0.139 1
1 183 . 6 1 1 A 16 16 PHE HA H 16 4.770 5.016 -0.246 1
1 191 . 6 1 1 A 16 16 PHE C C 16 173.200 173.622 -0.422 1
1 192 . 6 1 1 A 16 16 PHE CA C 16 56.180 56.685 -0.505 1
1 193 . 6 1 1 A 16 16 PHE CB C 16 40.820 42.155 -1.335 1
1 198 . 6 1 1 A 16 16 PHE N N 16 126.504 125.987 0.517 1
1 199 . 6 1 1 A 17 17 GLY H H 17 8.305 8.631 -0.326 1
1 200 . 6 1 1 A 17 17 GLY HA2 H 17 4.342 4.008 0.334 1
1 201 . 6 1 1 A 17 17 GLY HA3 H 17 3.240 4.024 -0.784 1
1 202 . 6 1 1 A 17 17 GLY C C 17 172.682 172.231 0.451 1
1 203 . 6 1 1 A 17 17 GLY CA C 17 45.070 44.780 0.290 1
1 204 . 6 1 1 A 17 17 GLY N N 17 111.670 111.718 -0.048 1
1 205 . 6 1 1 A 18 18 ILE H H 18 8.375 8.608 -0.233 1
1 206 . 6 1 1 A 18 18 ILE HA H 18 4.245 4.699 -0.454 1
1 216 . 6 1 1 A 18 18 ILE C C 18 173.700 173.971 -0.271 1
1 217 . 6 1 1 A 18 18 ILE CA C 18 59.240 58.459 0.781 1
1 218 . 6 1 1 A 18 18 ILE CB C 18 40.310 41.376 -1.066 1
1 222 . 6 1 1 A 18 18 ILE N N 18 120.812 120.698 0.114 1
1 223 . 6 1 1 A 19 19 TYR H H 19 8.293 8.532 -0.239 1
1 224 . 6 1 1 A 19 19 TYR HA H 19 4.942 5.034 -0.092 1
1 231 . 6 1 1 A 19 19 TYR C C 19 174.900 175.770 -0.870 1
1 232 . 6 1 1 A 19 19 TYR CA C 19 56.730 56.599 0.131 1
1 233 . 6 1 1 A 19 19 TYR CB C 19 39.200 38.965 0.235 1
1 238 . 6 1 1 A 19 19 TYR N N 19 123.869 120.655 3.214 1
1 239 . 6 1 1 A 20 20 MET H H 20 8.513 8.662 -0.149 1
1 240 . 6 1 1 A 20 20 MET HA H 20 4.727 5.380 -0.653 1
1 248 . 6 1 1 A 20 20 MET C C 20 174.100 175.755 -1.655 1
1 249 . 6 1 1 A 20 20 MET CA C 20 54.350 52.805 1.545 1
1 250 . 6 1 1 A 20 20 MET CB C 20 37.450 35.694 1.756 1
1 253 . 6 1 1 A 20 20 MET N N 20 120.765 121.854 -1.089 1
1 254 . 6 1 1 A 21 21 ASP H H 21 9.139 8.669 0.470 1
1 255 . 6 1 1 A 21 21 ASP HA H 21 4.418 4.612 -0.194 1
1 258 . 6 1 1 A 21 21 ASP C C 21 176.600 177.098 -0.498 1
1 259 . 6 1 1 A 21 21 ASP CA C 21 55.560 54.676 0.884 1
1 260 . 6 1 1 A 21 21 ASP CB C 21 42.910 41.538 1.372 1
1 261 . 6 1 1 A 21 21 ASP N N 21 125.274 120.948 4.326 1
1 262 . 6 1 1 A 22 22 LYS H H 22 8.821 8.726 0.095 1
1 263 . 6 1 1 A 22 22 LYS HA H 22 3.851 3.994 -0.143 1
1 272 . 6 1 1 A 22 22 LYS C C 22 178.200 177.703 0.497 1
1 273 . 6 1 1 A 22 22 LYS CA C 22 60.170 59.462 0.708 1
1 274 . 6 1 1 A 22 22 LYS CB C 22 32.780 32.333 0.447 1
1 278 . 6 1 1 A 22 22 LYS N N 22 126.689 123.714 2.975 1
1 279 . 6 1 1 A 23 23 ASP H H 23 8.421 8.183 0.238 1
1 280 . 6 1 1 A 23 23 ASP HA H 23 4.454 4.339 0.115 1
1 283 . 6 1 1 A 23 23 ASP C C 23 178.700 178.166 0.534 1
1 284 . 6 1 1 A 23 23 ASP CA C 23 57.310 57.260 0.050 1
1 285 . 6 1 1 A 23 23 ASP CB C 23 40.200 42.059 -1.859 1
1 286 . 6 1 1 A 23 23 ASP N N 23 120.894 119.540 1.354 1
1 287 . 6 1 1 A 24 24 LEU H H 24 8.079 7.896 0.183 1
1 288 . 6 1 1 A 24 24 LEU HA H 24 4.029 4.150 -0.121 1
1 298 . 6 1 1 A 24 24 LEU C C 24 177.900 178.383 -0.483 1
1 299 . 6 1 1 A 24 24 LEU CA C 24 57.460 57.951 -0.491 1
1 300 . 6 1 1 A 24 24 LEU CB C 24 42.000 41.888 0.112 1
1 304 . 6 1 1 A 24 24 LEU N N 24 123.406 120.173 3.233 1
1 305 . 6 1 1 A 25 25 LYS H H 25 7.976 8.265 -0.289 1
1 306 . 6 1 1 A 25 25 LYS HA H 25 3.666 4.060 -0.394 1
1 315 . 6 1 1 A 25 25 LYS C C 25 178.200 178.744 -0.544 1
1 316 . 6 1 1 A 25 25 LYS CA C 25 60.350 59.345 1.005 1
1 317 . 6 1 1 A 25 25 LYS CB C 25 31.870 32.144 -0.274 1
1 321 . 6 1 1 A 25 25 LYS N N 25 119.319 118.884 0.435 1
1 322 . 6 1 1 A 26 26 THR H H 26 8.193 8.455 -0.262 1
1 323 . 6 1 1 A 26 26 THR HA H 26 3.803 4.017 -0.214 1
1 328 . 6 1 1 A 26 26 THR C C 26 175.400 176.524 -1.124 1
1 329 . 6 1 1 A 26 26 THR CA C 26 67.110 66.269 0.841 1
1 330 . 6 1 1 A 26 26 THR CB C 26 68.520 68.579 -0.059 1
1 332 . 6 1 1 A 26 26 THR N N 26 116.606 117.063 -0.457 1
1 333 . 6 1 1 A 27 27 ARG H H 27 8.032 8.154 -0.122 1
1 334 . 6 1 1 A 27 27 ARG HA H 27 3.986 4.079 -0.093 1
1 342 . 6 1 1 A 27 27 ARG C C 27 179.900 178.577 1.323 1
1 343 . 6 1 1 A 27 27 ARG CA C 27 59.730 59.605 0.125 1
1 344 . 6 1 1 A 27 27 ARG CB C 27 31.850 29.849 2.001 1
1 347 . 6 1 1 A 27 27 ARG N N 27 121.054 121.191 -0.137 1
1 349 . 6 1 1 A 28 28 LEU H H 28 8.485 8.069 0.416 1
1 350 . 6 1 1 A 28 28 LEU HA H 28 4.270 4.183 0.087 1
1 360 . 6 1 1 A 28 28 LEU C C 28 178.000 178.424 -0.424 1
1 361 . 6 1 1 A 28 28 LEU CA C 28 58.090 57.587 0.503 1
1 362 . 6 1 1 A 28 28 LEU CB C 28 42.020 41.840 0.180 1
1 366 . 6 1 1 A 28 28 LEU N N 28 121.174 120.902 0.272 1
1 367 . 6 1 1 A 29 29 LYS H H 29 8.699 8.186 0.513 1
1 368 . 6 1 1 A 29 29 LYS HA H 29 3.899 4.049 -0.150 1
1 377 . 6 1 1 A 29 29 LYS C C 29 179.700 178.875 0.825 1
1 378 . 6 1 1 A 29 29 LYS CA C 29 60.760 59.658 1.102 1
1 379 . 6 1 1 A 29 29 LYS CB C 29 31.950 32.033 -0.083 1
1 383 . 6 1 1 A 29 29 LYS N N 29 121.221 119.393 1.828 1
1 384 . 6 1 1 A 30 30 VAL H H 30 8.616 7.950 0.666 1
1 385 . 6 1 1 A 30 30 VAL HA H 30 3.740 3.637 0.103 1
1 393 . 6 1 1 A 30 30 VAL C C 30 178.100 177.639 0.461 1
1 394 . 6 1 1 A 30 30 VAL CA C 30 66.610 66.117 0.493 1
1 395 . 6 1 1 A 30 30 VAL CB C 30 32.040 31.437 0.603 1
1 398 . 6 1 1 A 30 30 VAL N N 30 121.029 119.271 1.758 1
1 399 . 6 1 1 A 31 31 TYR H H 31 7.998 7.996 0.002 1
1 400 . 6 1 1 A 31 31 TYR HA H 31 4.029 4.044 -0.015 1
1 407 . 6 1 1 A 31 31 TYR C C 31 179.000 177.922 1.078 1
1 408 . 6 1 1 A 31 31 TYR CA C 31 62.830 61.833 0.997 1
1 409 . 6 1 1 A 31 31 TYR CB C 31 39.040 38.523 0.517 1
1 414 . 6 1 1 A 31 31 TYR N N 31 121.235 120.858 0.377 1
1 415 . 6 1 1 A 32 32 CYS H H 32 8.833 8.616 0.217 1
1 416 . 6 1 1 A 32 32 CYS HA H 32 3.889 4.233 -0.344 1
1 419 . 6 1 1 A 32 32 CYS C C 32 176.800 176.633 0.167 1
1 420 . 6 1 1 A 32 32 CYS CA C 32 65.290 61.588 3.702 1
1 421 . 6 1 1 A 32 32 CYS CB C 32 26.040 26.748 -0.708 1
1 422 . 6 1 1 A 32 32 CYS N N 32 118.092 116.917 1.175 1
1 423 . 6 1 1 A 33 33 ALA H H 33 8.238 7.775 0.463 1
1 424 . 6 1 1 A 33 33 ALA HA H 33 4.215 4.136 0.079 1
1 428 . 6 1 1 A 33 33 ALA C C 33 180.900 179.362 1.538 1
1 429 . 6 1 1 A 33 33 ALA CA C 33 54.880 54.665 0.215 1
1 430 . 6 1 1 A 33 33 ALA CB C 33 18.010 18.467 -0.457 1
1 431 . 6 1 1 A 33 33 ALA N N 33 122.005 122.416 -0.411 1
1 432 . 6 1 1 A 34 34 LYS H H 34 7.883 8.065 -0.182 1
1 433 . 6 1 1 A 34 34 LYS HA H 34 4.044 3.970 0.074 1
1 442 . 6 1 1 A 34 34 LYS C C 34 177.100 178.275 -1.175 1
1 443 . 6 1 1 A 34 34 LYS CA C 34 58.490 59.445 -0.955 1
1 444 . 6 1 1 A 34 34 LYS CB C 34 32.900 32.629 0.271 1
1 448 . 6 1 1 A 34 34 LYS N N 34 117.252 118.409 -1.157 1
1 449 . 6 1 1 A 35 35 ASN H H 35 7.122 7.824 -0.702 1
1 450 . 6 1 1 A 35 35 ASN HA H 35 4.698 4.746 -0.048 1
1 455 . 6 1 1 A 35 35 ASN C C 35 172.600 174.399 -1.799 1
1 456 . 6 1 1 A 35 35 ASN CA C 35 53.490 52.682 0.808 1
1 457 . 6 1 1 A 35 35 ASN CB C 35 39.930 38.326 1.604 1
1 459 . 6 1 1 A 35 35 ASN N N 35 113.516 114.544 -1.028 1
1 461 . 6 1 1 A 36 36 ASN H H 36 7.650 7.996 -0.346 1
1 462 . 6 1 1 A 36 36 ASN HA H 36 4.364 4.437 -0.073 1
1 467 . 6 1 1 A 36 36 ASN C C 36 173.600 174.493 -0.893 1
1 468 . 6 1 1 A 36 36 ASN CA C 36 54.490 54.307 0.183 1
1 469 . 6 1 1 A 36 36 ASN CB C 36 37.050 37.577 -0.527 1
1 471 . 6 1 1 A 36 36 ASN N N 36 116.989 115.095 1.894 1
1 473 . 6 1 1 A 37 37 LEU H H 37 8.356 7.847 0.509 1
1 474 . 6 1 1 A 37 37 LEU HA H 37 4.741 4.297 0.444 1
1 484 . 6 1 1 A 37 37 LEU C C 37 177.100 176.553 0.547 1
1 485 . 6 1 1 A 37 37 LEU CA C 37 53.380 54.838 -1.458 1
1 486 . 6 1 1 A 37 37 LEU CB C 37 46.170 42.385 3.785 1
1 490 . 6 1 1 A 37 37 LEU N N 37 118.046 119.404 -1.358 1
1 491 . 6 1 1 A 38 38 GLN H H 38 8.649 8.812 -0.163 1
1 492 . 6 1 1 A 38 38 GLN HA H 38 4.436 4.356 0.080 1
1 499 . 6 1 1 A 38 38 GLN C C 38 177.400 177.012 0.388 1
1 500 . 6 1 1 A 38 38 GLN CA C 38 54.870 55.558 -0.688 1
1 501 . 6 1 1 A 38 38 GLN CB C 38 29.490 29.410 0.080 1
1 504 . 6 1 1 A 38 38 GLN N N 38 120.404 120.508 -0.104 1
1 506 . 6 1 1 A 39 39 LEU H H 39 8.862 8.728 0.134 1
1 507 . 6 1 1 A 39 39 LEU HA H 39 4.288 4.087 0.201 1
1 517 . 6 1 1 A 39 39 LEU C C 39 178.800 178.593 0.207 1
1 518 . 6 1 1 A 39 39 LEU CA C 39 59.270 58.508 0.762 1
1 519 . 6 1 1 A 39 39 LEU CB C 39 42.190 42.032 0.158 1
1 523 . 6 1 1 A 39 39 LEU N N 39 126.026 127.093 -1.067 1
1 524 . 6 1 1 A 40 40 THR H H 40 8.408 8.264 0.144 1
1 525 . 6 1 1 A 40 40 THR HA H 40 3.819 3.853 -0.034 1
1 530 . 6 1 1 A 40 40 THR C C 40 175.700 176.342 -0.642 1
1 531 . 6 1 1 A 40 40 THR CA C 40 66.760 67.144 -0.384 1
1 532 . 6 1 1 A 40 40 THR CB C 40 68.620 68.648 -0.028 1
1 534 . 6 1 1 A 40 40 THR N N 40 110.087 113.887 -3.800 1
1 535 . 6 1 1 A 41 41 GLN H H 41 6.817 8.368 -1.551 1
1 536 . 6 1 1 A 41 41 GLN HA H 41 4.192 3.933 0.259 1
1 543 . 6 1 1 A 41 41 GLN C C 41 178.000 178.022 -0.022 1
1 544 . 6 1 1 A 41 41 GLN CA C 41 58.650 58.683 -0.033 1
1 545 . 6 1 1 A 41 41 GLN CB C 41 28.850 28.134 0.716 1
1 547 . 6 1 1 A 41 41 GLN N N 41 119.955 121.083 -1.128 1
1 549 . 6 1 1 A 42 42 ALA H H 42 7.755 7.844 -0.089 1
1 550 . 6 1 1 A 42 42 ALA HA H 42 4.002 4.138 -0.136 1
1 554 . 6 1 1 A 42 42 ALA C C 42 178.300 179.577 -1.277 1
1 555 . 6 1 1 A 42 42 ALA CA C 42 55.190 54.911 0.279 1
1 556 . 6 1 1 A 42 42 ALA CB C 42 19.570 18.480 1.090 1
1 557 . 6 1 1 A 42 42 ALA N N 42 121.978 121.959 0.019 1
1 558 . 6 1 1 A 43 43 ILE H H 43 8.118 8.153 -0.035 1
1 559 . 6 1 1 A 43 43 ILE HA H 43 3.184 3.528 -0.344 1
1 569 . 6 1 1 A 43 43 ILE C C 43 177.300 177.875 -0.575 1
1 570 . 6 1 1 A 43 43 ILE CA C 43 65.600 65.406 0.194 1
1 571 . 6 1 1 A 43 43 ILE CB C 43 37.550 37.752 -0.202 1
1 574 . 6 1 1 A 43 43 ILE N N 43 115.574 118.631 -3.057 1
1 575 . 6 1 1 A 44 44 GLU H H 44 7.990 8.579 -0.589 1
1 576 . 6 1 1 A 44 44 GLU HA H 44 3.678 3.920 -0.242 1
1 581 . 6 1 1 A 44 44 GLU C C 44 178.400 179.697 -1.297 1
1 582 . 6 1 1 A 44 44 GLU CA C 44 61.090 60.041 1.049 1
1 583 . 6 1 1 A 44 44 GLU CB C 44 29.630 29.597 0.033 1
1 585 . 6 1 1 A 44 44 GLU N N 44 118.630 119.074 -0.444 1
1 586 . 6 1 1 A 45 45 GLU H H 45 8.110 8.242 -0.132 1
1 587 . 6 1 1 A 45 45 GLU HA H 45 3.939 4.029 -0.090 1
1 592 . 6 1 1 A 45 45 GLU C C 45 178.600 179.210 -0.610 1
1 593 . 6 1 1 A 45 45 GLU CA C 45 59.650 59.162 0.488 1
1 594 . 6 1 1 A 45 45 GLU CB C 45 29.730 29.171 0.559 1
1 596 . 6 1 1 A 45 45 GLU N N 45 118.927 120.680 -1.753 1
1 597 . 6 1 1 A 46 46 ALA H H 46 8.363 8.352 0.011 1
1 598 . 6 1 1 A 46 46 ALA HA H 46 3.859 4.063 -0.204 1
1 602 . 6 1 1 A 46 46 ALA C C 46 181.500 179.592 1.908 1
1 603 . 6 1 1 A 46 46 ALA CA C 46 55.080 55.144 -0.064 1
1 604 . 6 1 1 A 46 46 ALA CB C 46 17.090 18.689 -1.599 1
1 605 . 6 1 1 A 46 46 ALA N N 46 120.991 122.528 -1.537 1
1 606 . 6 1 1 A 47 47 ILE H H 47 8.496 8.516 -0.020 1
1 607 . 6 1 1 A 47 47 ILE HA H 47 3.447 3.950 -0.503 1
1 617 . 6 1 1 A 47 47 ILE C C 47 177.000 177.624 -0.624 1
1 618 . 6 1 1 A 47 47 ILE CA C 47 65.110 62.746 2.364 1
1 619 . 6 1 1 A 47 47 ILE CB C 47 37.522 37.392 0.130 1
1 623 . 6 1 1 A 47 47 ILE N N 47 120.499 118.263 2.236 1
1 624 . 6 1 1 A 48 48 LYS H H 48 8.546 8.081 0.465 1
1 625 . 6 1 1 A 48 48 LYS HA H 48 3.763 4.034 -0.271 1
1 634 . 6 1 1 A 48 48 LYS C C 48 179.400 179.789 -0.389 1
1 635 . 6 1 1 A 48 48 LYS CA C 48 61.430 59.761 1.669 1
1 636 . 6 1 1 A 48 48 LYS CB C 48 32.340 32.058 0.282 1
1 640 . 6 1 1 A 48 48 LYS N N 48 121.030 121.799 -0.769 1
1 641 . 6 1 1 A 49 49 GLU H H 49 8.518 8.288 0.230 1
1 642 . 6 1 1 A 49 49 GLU HA H 49 3.979 4.148 -0.169 1
1 647 . 6 1 1 A 49 49 GLU C C 49 178.400 178.591 -0.191 1
1 648 . 6 1 1 A 49 49 GLU CA C 49 60.230 58.770 1.460 1
1 649 . 6 1 1 A 49 49 GLU CB C 49 29.960 29.090 0.870 1
1 651 . 6 1 1 A 49 49 GLU N N 49 118.574 118.495 0.079 1
1 652 . 6 1 1 A 50 50 TYR H H 50 7.980 8.051 -0.071 1
1 653 . 6 1 1 A 50 50 TYR HA H 50 4.160 4.224 -0.064 1
1 660 . 6 1 1 A 50 50 TYR C C 50 178.000 177.201 0.799 1
1 661 . 6 1 1 A 50 50 TYR CA C 50 60.670 61.391 -0.721 1
1 662 . 6 1 1 A 50 50 TYR CB C 50 39.550 38.399 1.151 1
1 667 . 6 1 1 A 50 50 TYR N N 50 121.810 123.324 -1.514 1
1 668 . 6 1 1 A 51 51 LEU H H 51 8.342 8.293 0.049 1
1 669 . 6 1 1 A 51 51 LEU HA H 51 3.464 3.701 -0.237 1
1 679 . 6 1 1 A 51 51 LEU C C 51 179.600 179.305 0.295 1
1 680 . 6 1 1 A 51 51 LEU CA C 51 57.140 57.740 -0.600 1
1 681 . 6 1 1 A 51 51 LEU CB C 51 41.780 41.282 0.498 1
1 685 . 6 1 1 A 51 51 LEU N N 51 117.934 119.838 -1.904 1
1 686 . 6 1 1 A 52 52 GLN H H 52 8.397 7.807 0.590 1
1 687 . 6 1 1 A 52 52 GLN HA H 52 4.052 4.014 0.038 1
1 694 . 6 1 1 A 52 52 GLN C C 52 179.500 178.985 0.515 1
1 695 . 6 1 1 A 52 52 GLN CA C 52 59.140 58.800 0.340 1
1 696 . 6 1 1 A 52 52 GLN CB C 52 28.230 28.191 0.039 1
1 699 . 6 1 1 A 52 52 GLN N N 52 120.458 118.206 2.252 1
1 701 . 6 1 1 A 53 53 LYS H H 53 7.534 7.628 -0.094 1
1 702 . 6 1 1 A 53 53 LYS HA H 53 4.038 4.048 -0.010 1
1 711 . 6 1 1 A 53 53 LYS C C 53 176.900 178.141 -1.241 1
1 712 . 6 1 1 A 53 53 LYS CA C 53 58.330 58.652 -0.322 1
1 713 . 6 1 1 A 53 53 LYS CB C 53 32.720 31.975 0.745 1
1 717 . 6 1 1 A 53 53 LYS N N 53 118.094 120.835 -2.741 1
1 718 . 6 1 1 A 54 54 ARG H H 54 6.789 7.695 -0.906 1
1 719 . 6 1 1 A 54 54 ARG HA H 54 4.155 4.297 -0.142 1
1 727 . 6 1 1 A 54 54 ARG C C 54 174.500 176.422 -1.922 1
1 728 . 6 1 1 A 54 54 ARG CA C 54 55.560 57.394 -1.834 1
1 729 . 6 1 1 A 54 54 ARG CB C 54 29.660 32.209 -2.549 1
1 732 . 6 1 1 A 54 54 ARG N N 54 116.828 118.300 -1.472 1
1 734 . 6 1 1 A 55 55 ASN H H 55 7.651 7.999 -0.348 1
1 735 . 6 1 1 A 55 55 ASN HA H 55 4.456 4.745 -0.289 1
1 740 . 6 1 1 A 55 55 ASN C C 55 174.100 176.333 -2.233 1
1 741 . 6 1 1 A 55 55 ASN CA C 55 54.760 53.673 1.087 1
1 742 . 6 1 1 A 55 55 ASN CB C 55 37.370 39.750 -2.380 1
1 744 . 6 1 1 A 55 55 ASN N N 55 115.626 113.753 1.873 1
1 130 . 7 1 1 A 12 12 GLN H H 12 8.154 7.557 0.597 1
1 131 . 7 1 1 A 12 12 GLN HA H 12 4.247 4.339 -0.092 1
1 136 . 7 1 1 A 12 12 GLN C C 12 175.800 176.067 -0.267 1
1 137 . 7 1 1 A 12 12 GLN CA C 12 56.670 56.073 0.597 1
1 138 . 7 1 1 A 12 12 GLN CB C 12 33.855 29.008 4.847 1
1 140 . 7 1 1 A 12 12 GLN N N 12 121.590 117.447 4.143 1
1 141 . 7 1 1 A 13 13 LYS H H 13 8.408 8.824 -0.416 1
1 142 . 7 1 1 A 13 13 LYS HA H 13 4.538 5.069 -0.531 1
1 151 . 7 1 1 A 13 13 LYS C C 13 175.500 175.223 0.277 1
1 152 . 7 1 1 A 13 13 LYS CA C 13 55.500 54.758 0.742 1
1 153 . 7 1 1 A 13 13 LYS CB C 13 34.580 34.705 -0.125 1
1 157 . 7 1 1 A 13 13 LYS N N 13 121.913 121.308 0.605 1
1 158 . 7 1 1 A 14 14 ALA H H 14 8.771 8.657 0.114 1
1 159 . 7 1 1 A 14 14 ALA HA H 14 4.581 5.258 -0.677 1
1 163 . 7 1 1 A 14 14 ALA C C 14 176.100 175.413 0.687 1
1 164 . 7 1 1 A 14 14 ALA CA C 14 51.250 50.485 0.765 1
1 165 . 7 1 1 A 14 14 ALA CB C 14 21.540 24.273 -2.733 1
1 166 . 7 1 1 A 14 14 ALA N N 14 124.191 121.502 2.689 1
1 167 . 7 1 1 A 15 15 VAL H H 15 8.287 8.653 -0.366 1
1 168 . 7 1 1 A 15 15 VAL HA H 15 4.405 5.064 -0.659 1
1 176 . 7 1 1 A 15 15 VAL C C 15 175.300 175.138 0.162 1
1 177 . 7 1 1 A 15 15 VAL CA C 15 61.530 60.420 1.110 1
1 178 . 7 1 1 A 15 15 VAL CB C 15 32.980 34.497 -1.517 1
1 181 . 7 1 1 A 15 15 VAL N N 15 121.035 118.666 2.369 1
1 182 . 7 1 1 A 16 16 PHE H H 16 8.757 8.892 -0.135 1
1 183 . 7 1 1 A 16 16 PHE HA H 16 4.770 5.025 -0.255 1
1 191 . 7 1 1 A 16 16 PHE C C 16 173.200 173.589 -0.389 1
1 192 . 7 1 1 A 16 16 PHE CA C 16 56.180 56.699 -0.519 1
1 193 . 7 1 1 A 16 16 PHE CB C 16 40.820 42.154 -1.334 1
1 198 . 7 1 1 A 16 16 PHE N N 16 126.504 125.858 0.646 1
1 199 . 7 1 1 A 17 17 GLY H H 17 8.305 8.608 -0.303 1
1 200 . 7 1 1 A 17 17 GLY HA2 H 17 4.342 3.998 0.344 1
1 201 . 7 1 1 A 17 17 GLY HA3 H 17 3.240 4.013 -0.773 1
1 202 . 7 1 1 A 17 17 GLY C C 17 172.682 172.223 0.459 1
1 203 . 7 1 1 A 17 17 GLY CA C 17 45.070 44.778 0.292 1
1 204 . 7 1 1 A 17 17 GLY N N 17 111.670 111.694 -0.024 1
1 205 . 7 1 1 A 18 18 ILE H H 18 8.375 8.593 -0.218 1
1 206 . 7 1 1 A 18 18 ILE HA H 18 4.245 4.779 -0.534 1
1 216 . 7 1 1 A 18 18 ILE C C 18 173.700 174.150 -0.450 1
1 217 . 7 1 1 A 18 18 ILE CA C 18 59.240 58.376 0.864 1
1 218 . 7 1 1 A 18 18 ILE CB C 18 40.310 41.624 -1.314 1
1 222 . 7 1 1 A 18 18 ILE N N 18 120.812 120.716 0.096 1
1 223 . 7 1 1 A 19 19 TYR H H 19 8.293 8.493 -0.200 1
1 224 . 7 1 1 A 19 19 TYR HA H 19 4.942 5.074 -0.132 1
1 231 . 7 1 1 A 19 19 TYR C C 19 174.900 175.385 -0.485 1
1 232 . 7 1 1 A 19 19 TYR CA C 19 56.730 56.460 0.270 1
1 233 . 7 1 1 A 19 19 TYR CB C 19 39.200 39.720 -0.520 1
1 238 . 7 1 1 A 19 19 TYR N N 19 123.869 119.971 3.898 1
1 239 . 7 1 1 A 20 20 MET H H 20 8.513 8.815 -0.302 1
1 240 . 7 1 1 A 20 20 MET HA H 20 4.727 5.433 -0.706 1
1 248 . 7 1 1 A 20 20 MET C C 20 174.100 175.193 -1.093 1
1 249 . 7 1 1 A 20 20 MET CA C 20 54.350 52.859 1.491 1
1 250 . 7 1 1 A 20 20 MET CB C 20 37.450 35.773 1.677 1
1 253 . 7 1 1 A 20 20 MET N N 20 120.765 121.503 -0.738 1
1 254 . 7 1 1 A 21 21 ASP H H 21 9.139 8.735 0.404 1
1 255 . 7 1 1 A 21 21 ASP HA H 21 4.418 4.634 -0.216 1
1 258 . 7 1 1 A 21 21 ASP C C 21 176.600 177.121 -0.521 1
1 259 . 7 1 1 A 21 21 ASP CA C 21 55.560 54.715 0.845 1
1 260 . 7 1 1 A 21 21 ASP CB C 21 42.910 41.724 1.186 1
1 261 . 7 1 1 A 21 21 ASP N N 21 125.274 120.647 4.627 1
1 262 . 7 1 1 A 22 22 LYS H H 22 8.821 8.795 0.026 1
1 263 . 7 1 1 A 22 22 LYS HA H 22 3.851 3.986 -0.135 1
1 272 . 7 1 1 A 22 22 LYS C C 22 178.200 177.802 0.398 1
1 273 . 7 1 1 A 22 22 LYS CA C 22 60.170 59.539 0.631 1
1 274 . 7 1 1 A 22 22 LYS CB C 22 32.780 32.383 0.397 1
1 278 . 7 1 1 A 22 22 LYS N N 22 126.689 123.736 2.953 1
1 279 . 7 1 1 A 23 23 ASP H H 23 8.421 8.172 0.249 1
1 280 . 7 1 1 A 23 23 ASP HA H 23 4.454 4.326 0.128 1
1 283 . 7 1 1 A 23 23 ASP C C 23 178.700 178.260 0.440 1
1 284 . 7 1 1 A 23 23 ASP CA C 23 57.310 57.408 -0.098 1
1 285 . 7 1 1 A 23 23 ASP CB C 23 40.200 41.763 -1.563 1
1 286 . 7 1 1 A 23 23 ASP N N 23 120.894 119.369 1.525 1
1 287 . 7 1 1 A 24 24 LEU H H 24 8.079 7.873 0.206 1
1 288 . 7 1 1 A 24 24 LEU HA H 24 4.029 4.087 -0.058 1
1 298 . 7 1 1 A 24 24 LEU C C 24 177.900 178.249 -0.349 1
1 299 . 7 1 1 A 24 24 LEU CA C 24 57.460 57.972 -0.512 1
1 300 . 7 1 1 A 24 24 LEU CB C 24 42.000 41.898 0.102 1
1 304 . 7 1 1 A 24 24 LEU N N 24 123.406 120.370 3.036 1
1 305 . 7 1 1 A 25 25 LYS H H 25 7.976 8.017 -0.041 1
1 306 . 7 1 1 A 25 25 LYS HA H 25 3.666 4.045 -0.379 1
1 315 . 7 1 1 A 25 25 LYS C C 25 178.200 179.051 -0.851 1
1 316 . 7 1 1 A 25 25 LYS CA C 25 60.350 59.367 0.983 1
1 317 . 7 1 1 A 25 25 LYS CB C 25 31.870 32.042 -0.172 1
1 321 . 7 1 1 A 25 25 LYS N N 25 119.319 118.744 0.575 1
1 322 . 7 1 1 A 26 26 THR H H 26 8.193 8.916 -0.723 1
1 323 . 7 1 1 A 26 26 THR HA H 26 3.803 3.871 -0.068 1
1 328 . 7 1 1 A 26 26 THR C C 26 175.400 176.114 -0.714 1
1 329 . 7 1 1 A 26 26 THR CA C 26 67.110 66.969 0.141 1
1 330 . 7 1 1 A 26 26 THR CB C 26 68.520 68.304 0.216 1
1 332 . 7 1 1 A 26 26 THR N N 26 116.606 117.744 -1.138 1
1 333 . 7 1 1 A 27 27 ARG H H 27 8.032 8.210 -0.178 1
1 334 . 7 1 1 A 27 27 ARG HA H 27 3.986 4.085 -0.099 1
1 342 . 7 1 1 A 27 27 ARG C C 27 179.900 178.520 1.380 1
1 343 . 7 1 1 A 27 27 ARG CA C 27 59.730 59.654 0.076 1
1 344 . 7 1 1 A 27 27 ARG CB C 27 31.850 29.779 2.071 1
1 347 . 7 1 1 A 27 27 ARG N N 27 121.054 120.654 0.400 1
1 349 . 7 1 1 A 28 28 LEU H H 28 8.485 7.981 0.504 1
1 350 . 7 1 1 A 28 28 LEU HA H 28 4.270 4.163 0.107 1
1 360 . 7 1 1 A 28 28 LEU C C 28 178.000 178.465 -0.465 1
1 361 . 7 1 1 A 28 28 LEU CA C 28 58.090 57.698 0.392 1
1 362 . 7 1 1 A 28 28 LEU CB C 28 42.020 41.995 0.025 1
1 366 . 7 1 1 A 28 28 LEU N N 28 121.174 120.878 0.296 1
1 367 . 7 1 1 A 29 29 LYS H H 29 8.699 8.271 0.428 1
1 368 . 7 1 1 A 29 29 LYS HA H 29 3.899 4.031 -0.132 1
1 377 . 7 1 1 A 29 29 LYS C C 29 179.700 178.888 0.812 1
1 378 . 7 1 1 A 29 29 LYS CA C 29 60.760 59.633 1.127 1
1 379 . 7 1 1 A 29 29 LYS CB C 29 31.950 32.088 -0.138 1
1 383 . 7 1 1 A 29 29 LYS N N 29 121.221 119.801 1.420 1
1 384 . 7 1 1 A 30 30 VAL H H 30 8.616 7.940 0.676 1
1 385 . 7 1 1 A 30 30 VAL HA H 30 3.740 3.644 0.096 1
1 393 . 7 1 1 A 30 30 VAL C C 30 178.100 177.707 0.393 1
1 394 . 7 1 1 A 30 30 VAL CA C 30 66.610 65.902 0.708 1
1 395 . 7 1 1 A 30 30 VAL CB C 30 32.040 31.433 0.607 1
1 398 . 7 1 1 A 30 30 VAL N N 30 121.029 119.393 1.636 1
1 399 . 7 1 1 A 31 31 TYR H H 31 7.998 8.067 -0.069 1
1 400 . 7 1 1 A 31 31 TYR HA H 31 4.029 4.057 -0.028 1
1 407 . 7 1 1 A 31 31 TYR C C 31 179.000 177.855 1.145 1
1 408 . 7 1 1 A 31 31 TYR CA C 31 62.830 61.833 0.997 1
1 409 . 7 1 1 A 31 31 TYR CB C 31 39.040 38.533 0.507 1
1 414 . 7 1 1 A 31 31 TYR N N 31 121.235 120.842 0.393 1
1 415 . 7 1 1 A 32 32 CYS H H 32 8.833 8.619 0.214 1
1 416 . 7 1 1 A 32 32 CYS HA H 32 3.889 4.238 -0.349 1
1 419 . 7 1 1 A 32 32 CYS C C 32 176.800 175.767 1.033 1
1 420 . 7 1 1 A 32 32 CYS CA C 32 65.290 61.272 4.018 1
1 421 . 7 1 1 A 32 32 CYS CB C 32 26.040 26.971 -0.931 1
1 422 . 7 1 1 A 32 32 CYS N N 32 118.092 116.909 1.183 1
1 423 . 7 1 1 A 33 33 ALA H H 33 8.238 7.550 0.688 1
1 424 . 7 1 1 A 33 33 ALA HA H 33 4.215 4.192 0.023 1
1 428 . 7 1 1 A 33 33 ALA C C 33 180.900 179.475 1.425 1
1 429 . 7 1 1 A 33 33 ALA CA C 33 54.880 54.359 0.521 1
1 430 . 7 1 1 A 33 33 ALA CB C 33 18.010 18.798 -0.788 1
1 431 . 7 1 1 A 33 33 ALA N N 33 122.005 122.509 -0.504 1
1 432 . 7 1 1 A 34 34 LYS H H 34 7.883 8.072 -0.189 1
1 433 . 7 1 1 A 34 34 LYS HA H 34 4.044 4.011 0.033 1
1 442 . 7 1 1 A 34 34 LYS C C 34 177.100 178.204 -1.104 1
1 443 . 7 1 1 A 34 34 LYS CA C 34 58.490 59.268 -0.778 1
1 444 . 7 1 1 A 34 34 LYS CB C 34 32.900 32.619 0.281 1
1 448 . 7 1 1 A 34 34 LYS N N 34 117.252 118.469 -1.217 1
1 449 . 7 1 1 A 35 35 ASN H H 35 7.122 7.871 -0.749 1
1 450 . 7 1 1 A 35 35 ASN HA H 35 4.698 4.745 -0.047 1
1 455 . 7 1 1 A 35 35 ASN C C 35 172.600 174.306 -1.706 1
1 456 . 7 1 1 A 35 35 ASN CA C 35 53.490 52.620 0.870 1
1 457 . 7 1 1 A 35 35 ASN CB C 35 39.930 38.356 1.574 1
1 459 . 7 1 1 A 35 35 ASN N N 35 113.516 114.598 -1.082 1
1 461 . 7 1 1 A 36 36 ASN H H 36 7.650 7.988 -0.338 1
1 462 . 7 1 1 A 36 36 ASN HA H 36 4.364 4.429 -0.065 1
1 467 . 7 1 1 A 36 36 ASN C C 36 173.600 174.520 -0.920 1
1 468 . 7 1 1 A 36 36 ASN CA C 36 54.490 54.326 0.164 1
1 469 . 7 1 1 A 36 36 ASN CB C 36 37.050 37.284 -0.234 1
1 471 . 7 1 1 A 36 36 ASN N N 36 116.989 115.053 1.936 1
1 473 . 7 1 1 A 37 37 LEU H H 37 8.356 7.938 0.418 1
1 474 . 7 1 1 A 37 37 LEU HA H 37 4.741 4.306 0.435 1
1 484 . 7 1 1 A 37 37 LEU C C 37 177.100 176.537 0.563 1
1 485 . 7 1 1 A 37 37 LEU CA C 37 53.380 54.777 -1.397 1
1 486 . 7 1 1 A 37 37 LEU CB C 37 46.170 42.322 3.848 1
1 490 . 7 1 1 A 37 37 LEU N N 37 118.046 119.210 -1.164 1
1 491 . 7 1 1 A 38 38 GLN H H 38 8.649 8.832 -0.183 1
1 492 . 7 1 1 A 38 38 GLN HA H 38 4.436 4.354 0.082 1
1 499 . 7 1 1 A 38 38 GLN C C 38 177.400 177.102 0.298 1
1 500 . 7 1 1 A 38 38 GLN CA C 38 54.870 55.649 -0.779 1
1 501 . 7 1 1 A 38 38 GLN CB C 38 29.490 29.430 0.060 1
1 504 . 7 1 1 A 38 38 GLN N N 38 120.404 120.702 -0.298 1
1 506 . 7 1 1 A 39 39 LEU H H 39 8.862 8.658 0.204 1
1 507 . 7 1 1 A 39 39 LEU HA H 39 4.288 4.189 0.099 1
1 517 . 7 1 1 A 39 39 LEU C C 39 178.800 178.651 0.149 1
1 518 . 7 1 1 A 39 39 LEU CA C 39 59.270 58.331 0.939 1
1 519 . 7 1 1 A 39 39 LEU CB C 39 42.190 42.126 0.064 1
1 523 . 7 1 1 A 39 39 LEU N N 39 126.026 125.771 0.255 1
1 524 . 7 1 1 A 40 40 THR H H 40 8.408 8.319 0.089 1
1 525 . 7 1 1 A 40 40 THR HA H 40 3.819 3.857 -0.038 1
1 530 . 7 1 1 A 40 40 THR C C 40 175.700 176.320 -0.620 1
1 531 . 7 1 1 A 40 40 THR CA C 40 66.760 67.203 -0.443 1
1 532 . 7 1 1 A 40 40 THR CB C 40 68.620 68.423 0.197 1
1 534 . 7 1 1 A 40 40 THR N N 40 110.087 114.067 -3.980 1
1 535 . 7 1 1 A 41 41 GLN H H 41 6.817 8.315 -1.498 1
1 536 . 7 1 1 A 41 41 GLN HA H 41 4.192 3.933 0.259 1
1 543 . 7 1 1 A 41 41 GLN C C 41 178.000 178.012 -0.012 1
1 544 . 7 1 1 A 41 41 GLN CA C 41 58.650 58.651 -0.001 1
1 545 . 7 1 1 A 41 41 GLN CB C 41 28.850 28.223 0.627 1
1 547 . 7 1 1 A 41 41 GLN N N 41 119.955 121.489 -1.534 1
1 549 . 7 1 1 A 42 42 ALA H H 42 7.755 8.023 -0.268 1
1 550 . 7 1 1 A 42 42 ALA HA H 42 4.002 4.134 -0.132 1
1 554 . 7 1 1 A 42 42 ALA C C 42 178.300 179.579 -1.279 1
1 555 . 7 1 1 A 42 42 ALA CA C 42 55.190 54.892 0.298 1
1 556 . 7 1 1 A 42 42 ALA CB C 42 19.570 18.522 1.048 1
1 557 . 7 1 1 A 42 42 ALA N N 42 121.978 122.089 -0.111 1
1 558 . 7 1 1 A 43 43 ILE H H 43 8.118 8.254 -0.136 1
1 559 . 7 1 1 A 43 43 ILE HA H 43 3.184 3.507 -0.323 1
1 569 . 7 1 1 A 43 43 ILE C C 43 177.300 177.783 -0.483 1
1 570 . 7 1 1 A 43 43 ILE CA C 43 65.600 65.366 0.234 1
1 571 . 7 1 1 A 43 43 ILE CB C 43 37.550 37.817 -0.267 1
1 574 . 7 1 1 A 43 43 ILE N N 43 115.574 118.483 -2.909 1
1 575 . 7 1 1 A 44 44 GLU H H 44 7.990 8.464 -0.474 1
1 576 . 7 1 1 A 44 44 GLU HA H 44 3.678 3.896 -0.218 1
1 581 . 7 1 1 A 44 44 GLU C C 44 178.400 179.590 -1.190 1
1 582 . 7 1 1 A 44 44 GLU CA C 44 61.090 59.878 1.212 1
1 583 . 7 1 1 A 44 44 GLU CB C 44 29.630 29.398 0.232 1
1 585 . 7 1 1 A 44 44 GLU N N 44 118.630 118.967 -0.337 1
1 586 . 7 1 1 A 45 45 GLU H H 45 8.110 8.342 -0.232 1
1 587 . 7 1 1 A 45 45 GLU HA H 45 3.939 4.004 -0.065 1
1 592 . 7 1 1 A 45 45 GLU C C 45 178.600 178.891 -0.291 1
1 593 . 7 1 1 A 45 45 GLU CA C 45 59.650 59.150 0.500 1
1 594 . 7 1 1 A 45 45 GLU CB C 45 29.730 29.820 -0.090 1
1 596 . 7 1 1 A 45 45 GLU N N 45 118.927 120.679 -1.752 1
1 597 . 7 1 1 A 46 46 ALA H H 46 8.363 8.436 -0.073 1
1 598 . 7 1 1 A 46 46 ALA HA H 46 3.859 4.085 -0.226 1
1 602 . 7 1 1 A 46 46 ALA C C 46 181.500 179.570 1.930 1
1 603 . 7 1 1 A 46 46 ALA CA C 46 55.080 55.145 -0.065 1
1 604 . 7 1 1 A 46 46 ALA CB C 46 17.090 18.693 -1.603 1
1 605 . 7 1 1 A 46 46 ALA N N 46 120.991 121.799 -0.808 1
1 606 . 7 1 1 A 47 47 ILE H H 47 8.496 8.577 -0.081 1
1 607 . 7 1 1 A 47 47 ILE HA H 47 3.447 3.989 -0.542 1
1 617 . 7 1 1 A 47 47 ILE C C 47 177.000 177.629 -0.629 1
1 618 . 7 1 1 A 47 47 ILE CA C 47 65.110 62.678 2.432 1
1 619 . 7 1 1 A 47 47 ILE CB C 47 37.522 37.638 -0.116 1
1 623 . 7 1 1 A 47 47 ILE N N 47 120.499 118.407 2.092 1
1 624 . 7 1 1 A 48 48 LYS H H 48 8.546 8.128 0.418 1
1 625 . 7 1 1 A 48 48 LYS HA H 48 3.763 4.032 -0.269 1
1 634 . 7 1 1 A 48 48 LYS C C 48 179.400 179.512 -0.112 1
1 635 . 7 1 1 A 48 48 LYS CA C 48 61.430 59.771 1.659 1
1 636 . 7 1 1 A 48 48 LYS CB C 48 32.340 32.106 0.234 1
1 640 . 7 1 1 A 48 48 LYS N N 48 121.030 121.689 -0.659 1
1 641 . 7 1 1 A 49 49 GLU H H 49 8.518 8.452 0.066 1
1 642 . 7 1 1 A 49 49 GLU HA H 49 3.979 4.065 -0.086 1
1 647 . 7 1 1 A 49 49 GLU C C 49 178.400 178.626 -0.226 1
1 648 . 7 1 1 A 49 49 GLU CA C 49 60.230 59.077 1.153 1
1 649 . 7 1 1 A 49 49 GLU CB C 49 29.960 29.662 0.298 1
1 651 . 7 1 1 A 49 49 GLU N N 49 118.574 118.179 0.395 1
1 652 . 7 1 1 A 50 50 TYR H H 50 7.980 8.028 -0.048 1
1 653 . 7 1 1 A 50 50 TYR HA H 50 4.160 4.210 -0.050 1
1 660 . 7 1 1 A 50 50 TYR C C 50 178.000 177.155 0.845 1
1 661 . 7 1 1 A 50 50 TYR CA C 50 60.670 61.447 -0.777 1
1 662 . 7 1 1 A 50 50 TYR CB C 50 39.550 38.645 0.905 1
1 667 . 7 1 1 A 50 50 TYR N N 50 121.810 123.259 -1.449 1
1 668 . 7 1 1 A 51 51 LEU H H 51 8.342 8.398 -0.056 1
1 669 . 7 1 1 A 51 51 LEU HA H 51 3.464 3.703 -0.239 1
1 679 . 7 1 1 A 51 51 LEU C C 51 179.600 179.514 0.086 1
1 680 . 7 1 1 A 51 51 LEU CA C 51 57.140 57.732 -0.592 1
1 681 . 7 1 1 A 51 51 LEU CB C 51 41.780 41.191 0.589 1
1 685 . 7 1 1 A 51 51 LEU N N 51 117.934 119.494 -1.560 1
1 686 . 7 1 1 A 52 52 GLN H H 52 8.397 7.755 0.642 1
1 687 . 7 1 1 A 52 52 GLN HA H 52 4.052 3.971 0.081 1
1 694 . 7 1 1 A 52 52 GLN C C 52 179.500 179.160 0.340 1
1 695 . 7 1 1 A 52 52 GLN CA C 52 59.140 58.957 0.183 1
1 696 . 7 1 1 A 52 52 GLN CB C 52 28.230 28.221 0.009 1
1 699 . 7 1 1 A 52 52 GLN N N 52 120.458 119.071 1.387 1
1 701 . 7 1 1 A 53 53 LYS H H 53 7.534 8.182 -0.648 1
1 702 . 7 1 1 A 53 53 LYS HA H 53 4.038 4.038 0.000 1
1 711 . 7 1 1 A 53 53 LYS C C 53 176.900 178.249 -1.349 1
1 712 . 7 1 1 A 53 53 LYS CA C 53 58.330 58.540 -0.210 1
1 713 . 7 1 1 A 53 53 LYS CB C 53 32.720 31.897 0.823 1
1 717 . 7 1 1 A 53 53 LYS N N 53 118.094 120.916 -2.822 1
1 718 . 7 1 1 A 54 54 ARG H H 54 6.789 7.641 -0.852 1
1 719 . 7 1 1 A 54 54 ARG HA H 54 4.155 4.259 -0.104 1
1 727 . 7 1 1 A 54 54 ARG C C 54 174.500 176.661 -2.161 1
1 728 . 7 1 1 A 54 54 ARG CA C 54 55.560 57.577 -2.017 1
1 729 . 7 1 1 A 54 54 ARG CB C 54 29.660 31.808 -2.148 1
1 732 . 7 1 1 A 54 54 ARG N N 54 116.828 118.306 -1.478 1
1 734 . 7 1 1 A 55 55 ASN H H 55 7.651 7.748 -0.097 1
1 735 . 7 1 1 A 55 55 ASN HA H 55 4.456 4.737 -0.281 1
1 740 . 7 1 1 A 55 55 ASN C C 55 174.100 176.342 -2.242 1
1 741 . 7 1 1 A 55 55 ASN CA C 55 54.760 53.626 1.134 1
1 742 . 7 1 1 A 55 55 ASN CB C 55 37.370 39.730 -2.360 1
1 744 . 7 1 1 A 55 55 ASN N N 55 115.626 113.992 1.634 1
1 130 . 8 1 1 A 12 12 GLN H H 12 8.154 7.895 0.259 1
1 131 . 8 1 1 A 12 12 GLN HA H 12 4.247 4.350 -0.103 1
1 136 . 8 1 1 A 12 12 GLN C C 12 175.800 175.841 -0.041 1
1 137 . 8 1 1 A 12 12 GLN CA C 12 56.670 55.989 0.681 1
1 138 . 8 1 1 A 12 12 GLN CB C 12 33.855 29.034 4.821 1
1 140 . 8 1 1 A 12 12 GLN N N 12 121.590 117.603 3.987 1
1 141 . 8 1 1 A 13 13 LYS H H 13 8.408 8.807 -0.399 1
1 142 . 8 1 1 A 13 13 LYS HA H 13 4.538 5.076 -0.538 1
1 151 . 8 1 1 A 13 13 LYS C C 13 175.500 175.085 0.415 1
1 152 . 8 1 1 A 13 13 LYS CA C 13 55.500 55.069 0.431 1
1 153 . 8 1 1 A 13 13 LYS CB C 13 34.580 34.963 -0.383 1
1 157 . 8 1 1 A 13 13 LYS N N 13 121.913 122.538 -0.625 1
1 158 . 8 1 1 A 14 14 ALA H H 14 8.771 8.787 -0.016 1
1 159 . 8 1 1 A 14 14 ALA HA H 14 4.581 5.249 -0.668 1
1 163 . 8 1 1 A 14 14 ALA C C 14 176.100 175.663 0.437 1
1 164 . 8 1 1 A 14 14 ALA CA C 14 51.250 50.165 1.085 1
1 165 . 8 1 1 A 14 14 ALA CB C 14 21.540 23.895 -2.355 1
1 166 . 8 1 1 A 14 14 ALA N N 14 124.191 122.078 2.113 1
1 167 . 8 1 1 A 15 15 VAL H H 15 8.287 8.482 -0.195 1
1 168 . 8 1 1 A 15 15 VAL HA H 15 4.405 4.889 -0.484 1
1 176 . 8 1 1 A 15 15 VAL C C 15 175.300 175.043 0.257 1
1 177 . 8 1 1 A 15 15 VAL CA C 15 61.530 60.803 0.727 1
1 178 . 8 1 1 A 15 15 VAL CB C 15 32.980 34.105 -1.125 1
1 181 . 8 1 1 A 15 15 VAL N N 15 121.035 119.395 1.640 1
1 182 . 8 1 1 A 16 16 PHE H H 16 8.757 8.914 -0.157 1
1 183 . 8 1 1 A 16 16 PHE HA H 16 4.770 5.145 -0.375 1
1 191 . 8 1 1 A 16 16 PHE C C 16 173.200 173.648 -0.448 1
1 192 . 8 1 1 A 16 16 PHE CA C 16 56.180 56.206 -0.026 1
1 193 . 8 1 1 A 16 16 PHE CB C 16 40.820 42.510 -1.690 1
1 198 . 8 1 1 A 16 16 PHE N N 16 126.504 126.106 0.398 1
1 199 . 8 1 1 A 17 17 GLY H H 17 8.305 8.516 -0.211 1
1 200 . 8 1 1 A 17 17 GLY HA2 H 17 4.342 4.005 0.337 1
1 201 . 8 1 1 A 17 17 GLY HA3 H 17 3.240 4.008 -0.768 1
1 202 . 8 1 1 A 17 17 GLY C C 17 172.682 172.255 0.427 1
1 203 . 8 1 1 A 17 17 GLY CA C 17 45.070 44.924 0.146 1
1 204 . 8 1 1 A 17 17 GLY N N 17 111.670 111.548 0.122 1
1 205 . 8 1 1 A 18 18 ILE H H 18 8.375 8.483 -0.108 1
1 206 . 8 1 1 A 18 18 ILE HA H 18 4.245 4.744 -0.499 1
1 216 . 8 1 1 A 18 18 ILE C C 18 173.700 173.778 -0.078 1
1 217 . 8 1 1 A 18 18 ILE CA C 18 59.240 58.314 0.926 1
1 218 . 8 1 1 A 18 18 ILE CB C 18 40.310 41.440 -1.130 1
1 222 . 8 1 1 A 18 18 ILE N N 18 120.812 119.952 0.860 1
1 223 . 8 1 1 A 19 19 TYR H H 19 8.293 8.568 -0.275 1
1 224 . 8 1 1 A 19 19 TYR HA H 19 4.942 4.998 -0.056 1
1 231 . 8 1 1 A 19 19 TYR C C 19 174.900 175.657 -0.757 1
1 232 . 8 1 1 A 19 19 TYR CA C 19 56.730 56.589 0.141 1
1 233 . 8 1 1 A 19 19 TYR CB C 19 39.200 38.644 0.556 1
1 238 . 8 1 1 A 19 19 TYR N N 19 123.869 121.421 2.448 1
1 239 . 8 1 1 A 20 20 MET H H 20 8.513 8.684 -0.171 1
1 240 . 8 1 1 A 20 20 MET HA H 20 4.727 5.175 -0.448 1
1 248 . 8 1 1 A 20 20 MET C C 20 174.100 175.951 -1.851 1
1 249 . 8 1 1 A 20 20 MET CA C 20 54.350 53.247 1.103 1
1 250 . 8 1 1 A 20 20 MET CB C 20 37.450 34.482 2.968 1
1 253 . 8 1 1 A 20 20 MET N N 20 120.765 122.317 -1.552 1
1 254 . 8 1 1 A 21 21 ASP H H 21 9.139 8.730 0.409 1
1 255 . 8 1 1 A 21 21 ASP HA H 21 4.418 4.679 -0.261 1
1 258 . 8 1 1 A 21 21 ASP C C 21 176.600 177.340 -0.740 1
1 259 . 8 1 1 A 21 21 ASP CA C 21 55.560 54.399 1.161 1
1 260 . 8 1 1 A 21 21 ASP CB C 21 42.910 41.649 1.261 1
1 261 . 8 1 1 A 21 21 ASP N N 21 125.274 119.593 5.681 1
1 262 . 8 1 1 A 22 22 LYS H H 22 8.821 8.865 -0.044 1
1 263 . 8 1 1 A 22 22 LYS HA H 22 3.851 4.002 -0.151 1
1 272 . 8 1 1 A 22 22 LYS C C 22 178.200 177.716 0.484 1
1 273 . 8 1 1 A 22 22 LYS CA C 22 60.170 59.388 0.782 1
1 274 . 8 1 1 A 22 22 LYS CB C 22 32.780 32.392 0.388 1
1 278 . 8 1 1 A 22 22 LYS N N 22 126.689 123.658 3.031 1
1 279 . 8 1 1 A 23 23 ASP H H 23 8.421 8.145 0.276 1
1 280 . 8 1 1 A 23 23 ASP HA H 23 4.454 4.319 0.135 1
1 283 . 8 1 1 A 23 23 ASP C C 23 178.700 178.145 0.555 1
1 284 . 8 1 1 A 23 23 ASP CA C 23 57.310 57.452 -0.142 1
1 285 . 8 1 1 A 23 23 ASP CB C 23 40.200 41.918 -1.718 1
1 286 . 8 1 1 A 23 23 ASP N N 23 120.894 119.582 1.312 1
1 287 . 8 1 1 A 24 24 LEU H H 24 8.079 7.887 0.192 1
1 288 . 8 1 1 A 24 24 LEU HA H 24 4.029 4.094 -0.065 1
1 298 . 8 1 1 A 24 24 LEU C C 24 177.900 178.281 -0.381 1
1 299 . 8 1 1 A 24 24 LEU CA C 24 57.460 58.044 -0.584 1
1 300 . 8 1 1 A 24 24 LEU CB C 24 42.000 41.917 0.083 1
1 304 . 8 1 1 A 24 24 LEU N N 24 123.406 120.399 3.007 1
1 305 . 8 1 1 A 25 25 LYS H H 25 7.976 7.889 0.087 1
1 306 . 8 1 1 A 25 25 LYS HA H 25 3.666 3.988 -0.322 1
1 315 . 8 1 1 A 25 25 LYS C C 25 178.200 178.915 -0.715 1
1 316 . 8 1 1 A 25 25 LYS CA C 25 60.350 59.804 0.546 1
1 317 . 8 1 1 A 25 25 LYS CB C 25 31.870 32.293 -0.423 1
1 321 . 8 1 1 A 25 25 LYS N N 25 119.319 119.001 0.318 1
1 322 . 8 1 1 A 26 26 THR H H 26 8.193 8.651 -0.458 1
1 323 . 8 1 1 A 26 26 THR HA H 26 3.803 4.013 -0.210 1
1 328 . 8 1 1 A 26 26 THR C C 26 175.400 176.473 -1.073 1
1 329 . 8 1 1 A 26 26 THR CA C 26 67.110 66.390 0.720 1
1 330 . 8 1 1 A 26 26 THR CB C 26 68.520 68.556 -0.036 1
1 332 . 8 1 1 A 26 26 THR N N 26 116.606 117.375 -0.769 1
1 333 . 8 1 1 A 27 27 ARG H H 27 8.032 8.138 -0.106 1
1 334 . 8 1 1 A 27 27 ARG HA H 27 3.986 4.066 -0.080 1
1 342 . 8 1 1 A 27 27 ARG C C 27 179.900 178.566 1.334 1
1 343 . 8 1 1 A 27 27 ARG CA C 27 59.730 59.714 0.016 1
1 344 . 8 1 1 A 27 27 ARG CB C 27 31.850 29.867 1.983 1
1 347 . 8 1 1 A 27 27 ARG N N 27 121.054 121.131 -0.077 1
1 349 . 8 1 1 A 28 28 LEU H H 28 8.485 8.133 0.352 1
1 350 . 8 1 1 A 28 28 LEU HA H 28 4.270 4.162 0.108 1
1 360 . 8 1 1 A 28 28 LEU C C 28 178.000 178.468 -0.468 1
1 361 . 8 1 1 A 28 28 LEU CA C 28 58.090 57.583 0.507 1
1 362 . 8 1 1 A 28 28 LEU CB C 28 42.020 41.944 0.076 1
1 366 . 8 1 1 A 28 28 LEU N N 28 121.174 120.696 0.478 1
1 367 . 8 1 1 A 29 29 LYS H H 29 8.699 8.301 0.398 1
1 368 . 8 1 1 A 29 29 LYS HA H 29 3.899 4.015 -0.116 1
1 377 . 8 1 1 A 29 29 LYS C C 29 179.700 179.057 0.643 1
1 378 . 8 1 1 A 29 29 LYS CA C 29 60.760 59.743 1.017 1
1 379 . 8 1 1 A 29 29 LYS CB C 29 31.950 32.062 -0.112 1
1 383 . 8 1 1 A 29 29 LYS N N 29 121.221 119.816 1.405 1
1 384 . 8 1 1 A 30 30 VAL H H 30 8.616 8.045 0.571 1
1 385 . 8 1 1 A 30 30 VAL HA H 30 3.740 3.605 0.135 1
1 393 . 8 1 1 A 30 30 VAL C C 30 178.100 177.647 0.453 1
1 394 . 8 1 1 A 30 30 VAL CA C 30 66.610 66.128 0.482 1
1 395 . 8 1 1 A 30 30 VAL CB C 30 32.040 31.554 0.486 1
1 398 . 8 1 1 A 30 30 VAL N N 30 121.029 119.385 1.644 1
1 399 . 8 1 1 A 31 31 TYR H H 31 7.998 8.065 -0.067 1
1 400 . 8 1 1 A 31 31 TYR HA H 31 4.029 4.116 -0.087 1
1 407 . 8 1 1 A 31 31 TYR C C 31 179.000 177.870 1.130 1
1 408 . 8 1 1 A 31 31 TYR CA C 31 62.830 61.903 0.927 1
1 409 . 8 1 1 A 31 31 TYR CB C 31 39.040 38.553 0.487 1
1 414 . 8 1 1 A 31 31 TYR N N 31 121.235 120.929 0.306 1
1 415 . 8 1 1 A 32 32 CYS H H 32 8.833 8.584 0.249 1
1 416 . 8 1 1 A 32 32 CYS HA H 32 3.889 4.001 -0.112 1
1 419 . 8 1 1 A 32 32 CYS C C 32 176.800 176.875 -0.075 1
1 420 . 8 1 1 A 32 32 CYS CA C 32 65.290 62.680 2.610 1
1 421 . 8 1 1 A 32 32 CYS CB C 32 26.040 27.161 -1.121 1
1 422 . 8 1 1 A 32 32 CYS N N 32 118.092 117.293 0.799 1
1 423 . 8 1 1 A 33 33 ALA H H 33 8.238 8.045 0.193 1
1 424 . 8 1 1 A 33 33 ALA HA H 33 4.215 4.002 0.213 1
1 428 . 8 1 1 A 33 33 ALA C C 33 180.900 179.522 1.378 1
1 429 . 8 1 1 A 33 33 ALA CA C 33 54.880 55.104 -0.224 1
1 430 . 8 1 1 A 33 33 ALA CB C 33 18.010 18.137 -0.127 1
1 431 . 8 1 1 A 33 33 ALA N N 33 122.005 122.102 -0.097 1
1 432 . 8 1 1 A 34 34 LYS H H 34 7.883 7.889 -0.006 1
1 433 . 8 1 1 A 34 34 LYS HA H 34 4.044 4.031 0.013 1
1 442 . 8 1 1 A 34 34 LYS C C 34 177.100 178.041 -0.941 1
1 443 . 8 1 1 A 34 34 LYS CA C 34 58.490 59.203 -0.713 1
1 444 . 8 1 1 A 34 34 LYS CB C 34 32.900 32.332 0.568 1
1 448 . 8 1 1 A 34 34 LYS N N 34 117.252 118.119 -0.867 1
1 449 . 8 1 1 A 35 35 ASN H H 35 7.122 7.733 -0.611 1
1 450 . 8 1 1 A 35 35 ASN HA H 35 4.698 4.728 -0.030 1
1 455 . 8 1 1 A 35 35 ASN C C 35 172.600 174.313 -1.713 1
1 456 . 8 1 1 A 35 35 ASN CA C 35 53.490 52.605 0.885 1
1 457 . 8 1 1 A 35 35 ASN CB C 35 39.930 38.488 1.442 1
1 459 . 8 1 1 A 35 35 ASN N N 35 113.516 114.388 -0.872 1
1 461 . 8 1 1 A 36 36 ASN H H 36 7.650 7.977 -0.327 1
1 462 . 8 1 1 A 36 36 ASN HA H 36 4.364 4.260 0.104 1
1 467 . 8 1 1 A 36 36 ASN C C 36 173.600 174.471 -0.871 1
1 468 . 8 1 1 A 36 36 ASN CA C 36 54.490 54.365 0.125 1
1 469 . 8 1 1 A 36 36 ASN CB C 36 37.050 37.322 -0.272 1
1 471 . 8 1 1 A 36 36 ASN N N 36 116.989 115.200 1.789 1
1 473 . 8 1 1 A 37 37 LEU H H 37 8.356 7.860 0.496 1
1 474 . 8 1 1 A 37 37 LEU HA H 37 4.741 4.318 0.423 1
1 484 . 8 1 1 A 37 37 LEU C C 37 177.100 176.620 0.480 1
1 485 . 8 1 1 A 37 37 LEU CA C 37 53.380 54.663 -1.283 1
1 486 . 8 1 1 A 37 37 LEU CB C 37 46.170 42.336 3.834 1
1 490 . 8 1 1 A 37 37 LEU N N 37 118.046 119.025 -0.979 1
1 491 . 8 1 1 A 38 38 GLN H H 38 8.649 8.806 -0.157 1
1 492 . 8 1 1 A 38 38 GLN HA H 38 4.436 4.406 0.030 1
1 499 . 8 1 1 A 38 38 GLN C C 38 177.400 176.781 0.619 1
1 500 . 8 1 1 A 38 38 GLN CA C 38 54.870 55.405 -0.535 1
1 501 . 8 1 1 A 38 38 GLN CB C 38 29.490 29.720 -0.230 1
1 504 . 8 1 1 A 38 38 GLN N N 38 120.404 120.713 -0.309 1
1 506 . 8 1 1 A 39 39 LEU H H 39 8.862 8.600 0.262 1
1 507 . 8 1 1 A 39 39 LEU HA H 39 4.288 4.180 0.108 1
1 517 . 8 1 1 A 39 39 LEU C C 39 178.800 178.652 0.148 1
1 518 . 8 1 1 A 39 39 LEU CA C 39 59.270 58.339 0.931 1
1 519 . 8 1 1 A 39 39 LEU CB C 39 42.190 42.305 -0.115 1
1 523 . 8 1 1 A 39 39 LEU N N 39 126.026 126.069 -0.043 1
1 524 . 8 1 1 A 40 40 THR H H 40 8.408 8.203 0.205 1
1 525 . 8 1 1 A 40 40 THR HA H 40 3.819 3.834 -0.015 1
1 530 . 8 1 1 A 40 40 THR C C 40 175.700 176.289 -0.589 1
1 531 . 8 1 1 A 40 40 THR CA C 40 66.760 67.106 -0.346 1
1 532 . 8 1 1 A 40 40 THR CB C 40 68.620 68.566 0.054 1
1 534 . 8 1 1 A 40 40 THR N N 40 110.087 113.440 -3.353 1
1 535 . 8 1 1 A 41 41 GLN H H 41 6.817 8.332 -1.515 1
1 536 . 8 1 1 A 41 41 GLN HA H 41 4.192 3.937 0.255 1
1 543 . 8 1 1 A 41 41 GLN C C 41 178.000 177.948 0.052 1
1 544 . 8 1 1 A 41 41 GLN CA C 41 58.650 58.697 -0.047 1
1 545 . 8 1 1 A 41 41 GLN CB C 41 28.850 28.204 0.646 1
1 547 . 8 1 1 A 41 41 GLN N N 41 119.955 121.185 -1.230 1
1 549 . 8 1 1 A 42 42 ALA H H 42 7.755 8.007 -0.252 1
1 550 . 8 1 1 A 42 42 ALA HA H 42 4.002 4.119 -0.117 1
1 554 . 8 1 1 A 42 42 ALA C C 42 178.300 179.723 -1.423 1
1 555 . 8 1 1 A 42 42 ALA CA C 42 55.190 54.978 0.212 1
1 556 . 8 1 1 A 42 42 ALA CB C 42 19.570 18.235 1.335 1
1 557 . 8 1 1 A 42 42 ALA N N 42 121.978 121.931 0.047 1
1 558 . 8 1 1 A 43 43 ILE H H 43 8.118 8.214 -0.096 1
1 559 . 8 1 1 A 43 43 ILE HA H 43 3.184 3.540 -0.356 1
1 569 . 8 1 1 A 43 43 ILE C C 43 177.300 177.726 -0.426 1
1 570 . 8 1 1 A 43 43 ILE CA C 43 65.600 65.422 0.178 1
1 571 . 8 1 1 A 43 43 ILE CB C 43 37.550 37.725 -0.175 1
1 574 . 8 1 1 A 43 43 ILE N N 43 115.574 118.686 -3.112 1
1 575 . 8 1 1 A 44 44 GLU H H 44 7.990 8.603 -0.613 1
1 576 . 8 1 1 A 44 44 GLU HA H 44 3.678 3.879 -0.201 1
1 581 . 8 1 1 A 44 44 GLU C C 44 178.400 179.557 -1.157 1
1 582 . 8 1 1 A 44 44 GLU CA C 44 61.090 60.114 0.976 1
1 583 . 8 1 1 A 44 44 GLU CB C 44 29.630 29.707 -0.077 1
1 585 . 8 1 1 A 44 44 GLU N N 44 118.630 118.979 -0.349 1
1 586 . 8 1 1 A 45 45 GLU H H 45 8.110 8.312 -0.202 1
1 587 . 8 1 1 A 45 45 GLU HA H 45 3.939 3.980 -0.041 1
1 592 . 8 1 1 A 45 45 GLU C C 45 178.600 178.930 -0.330 1
1 593 . 8 1 1 A 45 45 GLU CA C 45 59.650 59.016 0.634 1
1 594 . 8 1 1 A 45 45 GLU CB C 45 29.730 29.925 -0.195 1
1 596 . 8 1 1 A 45 45 GLU N N 45 118.927 120.642 -1.715 1
1 597 . 8 1 1 A 46 46 ALA H H 46 8.363 8.323 0.040 1
1 598 . 8 1 1 A 46 46 ALA HA H 46 3.859 4.072 -0.213 1
1 602 . 8 1 1 A 46 46 ALA C C 46 181.500 179.559 1.941 1
1 603 . 8 1 1 A 46 46 ALA CA C 46 55.080 55.158 -0.078 1
1 604 . 8 1 1 A 46 46 ALA CB C 46 17.090 18.686 -1.596 1
1 605 . 8 1 1 A 46 46 ALA N N 46 120.991 121.711 -0.720 1
1 606 . 8 1 1 A 47 47 ILE H H 47 8.496 8.723 -0.227 1
1 607 . 8 1 1 A 47 47 ILE HA H 47 3.447 3.952 -0.505 1
1 617 . 8 1 1 A 47 47 ILE C C 47 177.000 177.625 -0.625 1
1 618 . 8 1 1 A 47 47 ILE CA C 47 65.110 62.677 2.433 1
1 619 . 8 1 1 A 47 47 ILE CB C 47 37.522 37.615 -0.093 1
1 623 . 8 1 1 A 47 47 ILE N N 47 120.499 118.523 1.976 1
1 624 . 8 1 1 A 48 48 LYS H H 48 8.546 8.251 0.295 1
1 625 . 8 1 1 A 48 48 LYS HA H 48 3.763 4.030 -0.267 1
1 634 . 8 1 1 A 48 48 LYS C C 48 179.400 179.834 -0.434 1
1 635 . 8 1 1 A 48 48 LYS CA C 48 61.430 59.585 1.845 1
1 636 . 8 1 1 A 48 48 LYS CB C 48 32.340 32.023 0.317 1
1 640 . 8 1 1 A 48 48 LYS N N 48 121.030 121.807 -0.777 1
1 641 . 8 1 1 A 49 49 GLU H H 49 8.518 8.434 0.084 1
1 642 . 8 1 1 A 49 49 GLU HA H 49 3.979 4.181 -0.202 1
1 647 . 8 1 1 A 49 49 GLU C C 49 178.400 178.632 -0.232 1
1 648 . 8 1 1 A 49 49 GLU CA C 49 60.230 58.532 1.698 1
1 649 . 8 1 1 A 49 49 GLU CB C 49 29.960 29.066 0.894 1
1 651 . 8 1 1 A 49 49 GLU N N 49 118.574 118.488 0.086 1
1 652 . 8 1 1 A 50 50 TYR H H 50 7.980 8.030 -0.050 1
1 653 . 8 1 1 A 50 50 TYR HA H 50 4.160 4.215 -0.055 1
1 660 . 8 1 1 A 50 50 TYR C C 50 178.000 177.207 0.793 1
1 661 . 8 1 1 A 50 50 TYR CA C 50 60.670 61.489 -0.819 1
1 662 . 8 1 1 A 50 50 TYR CB C 50 39.550 38.396 1.154 1
1 667 . 8 1 1 A 50 50 TYR N N 50 121.810 123.130 -1.320 1
1 668 . 8 1 1 A 51 51 LEU H H 51 8.342 8.228 0.114 1
1 669 . 8 1 1 A 51 51 LEU HA H 51 3.464 3.701 -0.237 1
1 679 . 8 1 1 A 51 51 LEU C C 51 179.600 179.365 0.235 1
1 680 . 8 1 1 A 51 51 LEU CA C 51 57.140 57.747 -0.607 1
1 681 . 8 1 1 A 51 51 LEU CB C 51 41.780 41.333 0.447 1
1 685 . 8 1 1 A 51 51 LEU N N 51 117.934 119.779 -1.845 1
1 686 . 8 1 1 A 52 52 GLN H H 52 8.397 7.730 0.667 1
1 687 . 8 1 1 A 52 52 GLN HA H 52 4.052 3.972 0.080 1
1 694 . 8 1 1 A 52 52 GLN C C 52 179.500 179.308 0.192 1
1 695 . 8 1 1 A 52 52 GLN CA C 52 59.140 58.976 0.164 1
1 696 . 8 1 1 A 52 52 GLN CB C 52 28.230 28.273 -0.043 1
1 699 . 8 1 1 A 52 52 GLN N N 52 120.458 118.873 1.585 1
1 701 . 8 1 1 A 53 53 LYS H H 53 7.534 7.924 -0.390 1
1 702 . 8 1 1 A 53 53 LYS HA H 53 4.038 4.028 0.010 1
1 711 . 8 1 1 A 53 53 LYS C C 53 176.900 178.193 -1.293 1
1 712 . 8 1 1 A 53 53 LYS CA C 53 58.330 58.603 -0.273 1
1 713 . 8 1 1 A 53 53 LYS CB C 53 32.720 31.821 0.899 1
1 717 . 8 1 1 A 53 53 LYS N N 53 118.094 121.089 -2.995 1
1 718 . 8 1 1 A 54 54 ARG H H 54 6.789 7.618 -0.829 1
1 719 . 8 1 1 A 54 54 ARG HA H 54 4.155 4.173 -0.018 1
1 727 . 8 1 1 A 54 54 ARG C C 54 174.500 176.745 -2.245 1
1 728 . 8 1 1 A 54 54 ARG CA C 54 55.560 57.590 -2.030 1
1 729 . 8 1 1 A 54 54 ARG CB C 54 29.660 31.375 -1.715 1
1 732 . 8 1 1 A 54 54 ARG N N 54 116.828 118.286 -1.458 1
1 734 . 8 1 1 A 55 55 ASN H H 55 7.651 8.172 -0.521 1
1 735 . 8 1 1 A 55 55 ASN HA H 55 4.456 4.739 -0.283 1
1 740 . 8 1 1 A 55 55 ASN C C 55 174.100 176.693 -2.593 1
1 741 . 8 1 1 A 55 55 ASN CA C 55 54.760 53.742 1.018 1
1 742 . 8 1 1 A 55 55 ASN CB C 55 37.370 39.712 -2.342 1
1 744 . 8 1 1 A 55 55 ASN N N 55 115.626 114.053 1.573 1
1 130 . 9 1 1 A 12 12 GLN H H 12 8.154 7.553 0.601 1
1 131 . 9 1 1 A 12 12 GLN HA H 12 4.247 4.338 -0.091 1
1 136 . 9 1 1 A 12 12 GLN C C 12 175.800 176.042 -0.242 1
1 137 . 9 1 1 A 12 12 GLN CA C 12 56.670 56.098 0.572 1
1 138 . 9 1 1 A 12 12 GLN CB C 12 33.855 29.043 4.812 1
1 140 . 9 1 1 A 12 12 GLN N N 12 121.590 117.735 3.855 1
1 141 . 9 1 1 A 13 13 LYS H H 13 8.408 8.827 -0.419 1
1 142 . 9 1 1 A 13 13 LYS HA H 13 4.538 5.108 -0.570 1
1 151 . 9 1 1 A 13 13 LYS C C 13 175.500 175.198 0.302 1
1 152 . 9 1 1 A 13 13 LYS CA C 13 55.500 54.744 0.756 1
1 153 . 9 1 1 A 13 13 LYS CB C 13 34.580 34.851 -0.271 1
1 157 . 9 1 1 A 13 13 LYS N N 13 121.913 121.634 0.279 1
1 158 . 9 1 1 A 14 14 ALA H H 14 8.771 8.648 0.123 1
1 159 . 9 1 1 A 14 14 ALA HA H 14 4.581 5.223 -0.642 1
1 163 . 9 1 1 A 14 14 ALA C C 14 176.100 175.537 0.563 1
1 164 . 9 1 1 A 14 14 ALA CA C 14 51.250 50.529 0.721 1
1 165 . 9 1 1 A 14 14 ALA CB C 14 21.540 24.083 -2.543 1
1 166 . 9 1 1 A 14 14 ALA N N 14 124.191 121.476 2.715 1
1 167 . 9 1 1 A 15 15 VAL H H 15 8.287 8.598 -0.311 1
1 168 . 9 1 1 A 15 15 VAL HA H 15 4.405 5.097 -0.692 1
1 176 . 9 1 1 A 15 15 VAL C C 15 175.300 175.154 0.146 1
1 177 . 9 1 1 A 15 15 VAL CA C 15 61.530 60.466 1.064 1
1 178 . 9 1 1 A 15 15 VAL CB C 15 32.980 34.286 -1.306 1
1 181 . 9 1 1 A 15 15 VAL N N 15 121.035 118.779 2.256 1
1 182 . 9 1 1 A 16 16 PHE H H 16 8.757 8.890 -0.133 1
1 183 . 9 1 1 A 16 16 PHE HA H 16 4.770 5.055 -0.285 1
1 191 . 9 1 1 A 16 16 PHE C C 16 173.200 173.666 -0.466 1
1 192 . 9 1 1 A 16 16 PHE CA C 16 56.180 56.651 -0.471 1
1 193 . 9 1 1 A 16 16 PHE CB C 16 40.820 42.297 -1.477 1
1 198 . 9 1 1 A 16 16 PHE N N 16 126.504 126.083 0.421 1
1 199 . 9 1 1 A 17 17 GLY H H 17 8.305 8.483 -0.178 1
1 200 . 9 1 1 A 17 17 GLY HA2 H 17 4.342 4.003 0.339 1
1 201 . 9 1 1 A 17 17 GLY HA3 H 17 3.240 4.015 -0.775 1
1 202 . 9 1 1 A 17 17 GLY C C 17 172.682 171.990 0.692 1
1 203 . 9 1 1 A 17 17 GLY CA C 17 45.070 44.746 0.324 1
1 204 . 9 1 1 A 17 17 GLY N N 17 111.670 111.514 0.156 1
1 205 . 9 1 1 A 18 18 ILE H H 18 8.375 8.608 -0.233 1
1 206 . 9 1 1 A 18 18 ILE HA H 18 4.245 4.778 -0.533 1
1 216 . 9 1 1 A 18 18 ILE C C 18 173.700 174.170 -0.470 1
1 217 . 9 1 1 A 18 18 ILE CA C 18 59.240 58.336 0.904 1
1 218 . 9 1 1 A 18 18 ILE CB C 18 40.310 41.695 -1.385 1
1 222 . 9 1 1 A 18 18 ILE N N 18 120.812 120.580 0.232 1
1 223 . 9 1 1 A 19 19 TYR H H 19 8.293 8.569 -0.276 1
1 224 . 9 1 1 A 19 19 TYR HA H 19 4.942 5.058 -0.116 1
1 231 . 9 1 1 A 19 19 TYR C C 19 174.900 175.718 -0.818 1
1 232 . 9 1 1 A 19 19 TYR CA C 19 56.730 56.426 0.304 1
1 233 . 9 1 1 A 19 19 TYR CB C 19 39.200 39.395 -0.195 1
1 238 . 9 1 1 A 19 19 TYR N N 19 123.869 120.297 3.572 1
1 239 . 9 1 1 A 20 20 MET H H 20 8.513 8.651 -0.138 1
1 240 . 9 1 1 A 20 20 MET HA H 20 4.727 5.377 -0.650 1
1 248 . 9 1 1 A 20 20 MET C C 20 174.100 175.888 -1.788 1
1 249 . 9 1 1 A 20 20 MET CA C 20 54.350 52.939 1.411 1
1 250 . 9 1 1 A 20 20 MET CB C 20 37.450 35.584 1.866 1
1 253 . 9 1 1 A 20 20 MET N N 20 120.765 121.892 -1.127 1
1 254 . 9 1 1 A 21 21 ASP H H 21 9.139 8.716 0.423 1
1 255 . 9 1 1 A 21 21 ASP HA H 21 4.418 4.631 -0.213 1
1 258 . 9 1 1 A 21 21 ASP C C 21 176.600 177.124 -0.524 1
1 259 . 9 1 1 A 21 21 ASP CA C 21 55.560 54.736 0.824 1
1 260 . 9 1 1 A 21 21 ASP CB C 21 42.910 41.583 1.327 1
1 261 . 9 1 1 A 21 21 ASP N N 21 125.274 120.290 4.984 1
1 262 . 9 1 1 A 22 22 LYS H H 22 8.821 8.744 0.077 1
1 263 . 9 1 1 A 22 22 LYS HA H 22 3.851 3.995 -0.144 1
1 272 . 9 1 1 A 22 22 LYS C C 22 178.200 177.668 0.532 1
1 273 . 9 1 1 A 22 22 LYS CA C 22 60.170 59.463 0.707 1
1 274 . 9 1 1 A 22 22 LYS CB C 22 32.780 32.433 0.347 1
1 278 . 9 1 1 A 22 22 LYS N N 22 126.689 123.718 2.971 1
1 279 . 9 1 1 A 23 23 ASP H H 23 8.421 8.179 0.242 1
1 280 . 9 1 1 A 23 23 ASP HA H 23 4.454 4.318 0.136 1
1 283 . 9 1 1 A 23 23 ASP C C 23 178.700 178.328 0.372 1
1 284 . 9 1 1 A 23 23 ASP CA C 23 57.310 57.485 -0.175 1
1 285 . 9 1 1 A 23 23 ASP CB C 23 40.200 41.864 -1.664 1
1 286 . 9 1 1 A 23 23 ASP N N 23 120.894 119.525 1.369 1
1 287 . 9 1 1 A 24 24 LEU H H 24 8.079 7.876 0.203 1
1 288 . 9 1 1 A 24 24 LEU HA H 24 4.029 4.034 -0.005 1
1 298 . 9 1 1 A 24 24 LEU C C 24 177.900 178.281 -0.381 1
1 299 . 9 1 1 A 24 24 LEU CA C 24 57.460 58.098 -0.638 1
1 300 . 9 1 1 A 24 24 LEU CB C 24 42.000 41.917 0.083 1
1 304 . 9 1 1 A 24 24 LEU N N 24 123.406 120.363 3.043 1
1 305 . 9 1 1 A 25 25 LYS H H 25 7.976 7.939 0.037 1
1 306 . 9 1 1 A 25 25 LYS HA H 25 3.666 4.013 -0.347 1
1 315 . 9 1 1 A 25 25 LYS C C 25 178.200 178.907 -0.707 1
1 316 . 9 1 1 A 25 25 LYS CA C 25 60.350 59.531 0.819 1
1 317 . 9 1 1 A 25 25 LYS CB C 25 31.870 32.115 -0.245 1
1 321 . 9 1 1 A 25 25 LYS N N 25 119.319 118.800 0.519 1
1 322 . 9 1 1 A 26 26 THR H H 26 8.193 8.737 -0.544 1
1 323 . 9 1 1 A 26 26 THR HA H 26 3.803 3.960 -0.157 1
1 328 . 9 1 1 A 26 26 THR C C 26 175.400 176.372 -0.972 1
1 329 . 9 1 1 A 26 26 THR CA C 26 67.110 66.647 0.463 1
1 330 . 9 1 1 A 26 26 THR CB C 26 68.520 68.519 0.001 1
1 332 . 9 1 1 A 26 26 THR N N 26 116.606 117.566 -0.960 1
1 333 . 9 1 1 A 27 27 ARG H H 27 8.032 8.242 -0.210 1
1 334 . 9 1 1 A 27 27 ARG HA H 27 3.986 4.066 -0.080 1
1 342 . 9 1 1 A 27 27 ARG C C 27 179.900 178.504 1.396 1
1 343 . 9 1 1 A 27 27 ARG CA C 27 59.730 59.713 0.017 1
1 344 . 9 1 1 A 27 27 ARG CB C 27 31.850 29.872 1.978 1
1 347 . 9 1 1 A 27 27 ARG N N 27 121.054 121.027 0.027 1
1 349 . 9 1 1 A 28 28 LEU H H 28 8.485 8.070 0.415 1
1 350 . 9 1 1 A 28 28 LEU HA H 28 4.270 4.155 0.115 1
1 360 . 9 1 1 A 28 28 LEU C C 28 178.000 178.519 -0.519 1
1 361 . 9 1 1 A 28 28 LEU CA C 28 58.090 57.525 0.565 1
1 362 . 9 1 1 A 28 28 LEU CB C 28 42.020 41.944 0.076 1
1 366 . 9 1 1 A 28 28 LEU N N 28 121.174 120.671 0.503 1
1 367 . 9 1 1 A 29 29 LYS H H 29 8.699 8.265 0.434 1
1 368 . 9 1 1 A 29 29 LYS HA H 29 3.899 4.040 -0.141 1
1 377 . 9 1 1 A 29 29 LYS C C 29 179.700 178.947 0.753 1
1 378 . 9 1 1 A 29 29 LYS CA C 29 60.760 59.703 1.057 1
1 379 . 9 1 1 A 29 29 LYS CB C 29 31.950 32.049 -0.099 1
1 383 . 9 1 1 A 29 29 LYS N N 29 121.221 119.734 1.487 1
1 384 . 9 1 1 A 30 30 VAL H H 30 8.616 8.039 0.577 1
1 385 . 9 1 1 A 30 30 VAL HA H 30 3.740 3.605 0.135 1
1 393 . 9 1 1 A 30 30 VAL C C 30 178.100 177.647 0.453 1
1 394 . 9 1 1 A 30 30 VAL CA C 30 66.610 66.126 0.484 1
1 395 . 9 1 1 A 30 30 VAL CB C 30 32.040 31.581 0.459 1
1 398 . 9 1 1 A 30 30 VAL N N 30 121.029 119.253 1.776 1
1 399 . 9 1 1 A 31 31 TYR H H 31 7.998 8.100 -0.102 1
1 400 . 9 1 1 A 31 31 TYR HA H 31 4.029 4.107 -0.078 1
1 407 . 9 1 1 A 31 31 TYR C C 31 179.000 177.778 1.222 1
1 408 . 9 1 1 A 31 31 TYR CA C 31 62.830 61.987 0.843 1
1 409 . 9 1 1 A 31 31 TYR CB C 31 39.040 38.536 0.504 1
1 414 . 9 1 1 A 31 31 TYR N N 31 121.235 120.971 0.264 1
1 415 . 9 1 1 A 32 32 CYS H H 32 8.833 8.608 0.225 1
1 416 . 9 1 1 A 32 32 CYS HA H 32 3.889 4.158 -0.269 1
1 419 . 9 1 1 A 32 32 CYS C C 32 176.800 176.894 -0.094 1
1 420 . 9 1 1 A 32 32 CYS CA C 32 65.290 62.679 2.611 1
1 421 . 9 1 1 A 32 32 CYS CB C 32 26.040 27.175 -1.135 1
1 422 . 9 1 1 A 32 32 CYS N N 32 118.092 117.136 0.956 1
1 423 . 9 1 1 A 33 33 ALA H H 33 8.238 7.951 0.287 1
1 424 . 9 1 1 A 33 33 ALA HA H 33 4.215 4.065 0.150 1
1 428 . 9 1 1 A 33 33 ALA C C 33 180.900 179.602 1.298 1
1 429 . 9 1 1 A 33 33 ALA CA C 33 54.880 54.800 0.080 1
1 430 . 9 1 1 A 33 33 ALA CB C 33 18.010 18.461 -0.451 1
1 431 . 9 1 1 A 33 33 ALA N N 33 122.005 122.243 -0.238 1
1 432 . 9 1 1 A 34 34 LYS H H 34 7.883 8.021 -0.138 1
1 433 . 9 1 1 A 34 34 LYS HA H 34 4.044 4.031 0.013 1
1 442 . 9 1 1 A 34 34 LYS C C 34 177.100 178.019 -0.919 1
1 443 . 9 1 1 A 34 34 LYS CA C 34 58.490 59.102 -0.612 1
1 444 . 9 1 1 A 34 34 LYS CB C 34 32.900 32.366 0.534 1
1 448 . 9 1 1 A 34 34 LYS N N 34 117.252 118.094 -0.842 1
1 449 . 9 1 1 A 35 35 ASN H H 35 7.122 7.824 -0.702 1
1 450 . 9 1 1 A 35 35 ASN HA H 35 4.698 4.726 -0.028 1
1 455 . 9 1 1 A 35 35 ASN C C 35 172.600 174.388 -1.788 1
1 456 . 9 1 1 A 35 35 ASN CA C 35 53.490 52.589 0.901 1
1 457 . 9 1 1 A 35 35 ASN CB C 35 39.930 38.356 1.574 1
1 459 . 9 1 1 A 35 35 ASN N N 35 113.516 114.403 -0.887 1
1 461 . 9 1 1 A 36 36 ASN H H 36 7.650 7.986 -0.336 1
1 462 . 9 1 1 A 36 36 ASN HA H 36 4.364 4.259 0.105 1
1 467 . 9 1 1 A 36 36 ASN C C 36 173.600 174.405 -0.805 1
1 468 . 9 1 1 A 36 36 ASN CA C 36 54.490 54.326 0.164 1
1 469 . 9 1 1 A 36 36 ASN CB C 36 37.050 37.510 -0.460 1
1 471 . 9 1 1 A 36 36 ASN N N 36 116.989 115.112 1.877 1
1 473 . 9 1 1 A 37 37 LEU H H 37 8.356 7.789 0.567 1
1 474 . 9 1 1 A 37 37 LEU HA H 37 4.741 4.324 0.417 1
1 484 . 9 1 1 A 37 37 LEU C C 37 177.100 176.483 0.617 1
1 485 . 9 1 1 A 37 37 LEU CA C 37 53.380 54.757 -1.377 1
1 486 . 9 1 1 A 37 37 LEU CB C 37 46.170 42.393 3.777 1
1 490 . 9 1 1 A 37 37 LEU N N 37 118.046 119.311 -1.265 1
1 491 . 9 1 1 A 38 38 GLN H H 38 8.649 8.797 -0.148 1
1 492 . 9 1 1 A 38 38 GLN HA H 38 4.436 4.414 0.022 1
1 499 . 9 1 1 A 38 38 GLN C C 38 177.400 177.244 0.156 1
1 500 . 9 1 1 A 38 38 GLN CA C 38 54.870 55.481 -0.611 1
1 501 . 9 1 1 A 38 38 GLN CB C 38 29.490 29.572 -0.082 1
1 504 . 9 1 1 A 38 38 GLN N N 38 120.404 120.426 -0.022 1
1 506 . 9 1 1 A 39 39 LEU H H 39 8.862 8.728 0.134 1
1 507 . 9 1 1 A 39 39 LEU HA H 39 4.288 4.173 0.115 1
1 517 . 9 1 1 A 39 39 LEU C C 39 178.800 178.609 0.191 1
1 518 . 9 1 1 A 39 39 LEU CA C 39 59.270 58.681 0.589 1
1 519 . 9 1 1 A 39 39 LEU CB C 39 42.190 41.756 0.434 1
1 523 . 9 1 1 A 39 39 LEU N N 39 126.026 127.348 -1.322 1
1 524 . 9 1 1 A 40 40 THR H H 40 8.408 8.212 0.196 1
1 525 . 9 1 1 A 40 40 THR HA H 40 3.819 3.841 -0.022 1
1 530 . 9 1 1 A 40 40 THR C C 40 175.700 176.421 -0.721 1
1 531 . 9 1 1 A 40 40 THR CA C 40 66.760 67.142 -0.382 1
1 532 . 9 1 1 A 40 40 THR CB C 40 68.620 68.677 -0.057 1
1 534 . 9 1 1 A 40 40 THR N N 40 110.087 113.748 -3.661 1
1 535 . 9 1 1 A 41 41 GLN H H 41 6.817 8.381 -1.564 1
1 536 . 9 1 1 A 41 41 GLN HA H 41 4.192 3.986 0.206 1
1 543 . 9 1 1 A 41 41 GLN C C 41 178.000 177.960 0.040 1
1 544 . 9 1 1 A 41 41 GLN CA C 41 58.650 58.715 -0.065 1
1 545 . 9 1 1 A 41 41 GLN CB C 41 28.850 28.140 0.710 1
1 547 . 9 1 1 A 41 41 GLN N N 41 119.955 121.107 -1.152 1
1 549 . 9 1 1 A 42 42 ALA H H 42 7.755 7.899 -0.144 1
1 550 . 9 1 1 A 42 42 ALA HA H 42 4.002 4.147 -0.145 1
1 554 . 9 1 1 A 42 42 ALA C C 42 178.300 179.539 -1.239 1
1 555 . 9 1 1 A 42 42 ALA CA C 42 55.190 54.872 0.318 1
1 556 . 9 1 1 A 42 42 ALA CB C 42 19.570 18.500 1.070 1
1 557 . 9 1 1 A 42 42 ALA N N 42 121.978 122.045 -0.067 1
1 558 . 9 1 1 A 43 43 ILE H H 43 8.118 8.087 0.031 1
1 559 . 9 1 1 A 43 43 ILE HA H 43 3.184 3.536 -0.352 1
1 569 . 9 1 1 A 43 43 ILE C C 43 177.300 177.719 -0.419 1
1 570 . 9 1 1 A 43 43 ILE CA C 43 65.600 65.414 0.186 1
1 571 . 9 1 1 A 43 43 ILE CB C 43 37.550 37.754 -0.204 1
1 574 . 9 1 1 A 43 43 ILE N N 43 115.574 118.638 -3.064 1
1 575 . 9 1 1 A 44 44 GLU H H 44 7.990 8.661 -0.671 1
1 576 . 9 1 1 A 44 44 GLU HA H 44 3.678 3.895 -0.217 1
1 581 . 9 1 1 A 44 44 GLU C C 44 178.400 179.646 -1.246 1
1 582 . 9 1 1 A 44 44 GLU CA C 44 61.090 59.951 1.139 1
1 583 . 9 1 1 A 44 44 GLU CB C 44 29.630 29.422 0.208 1
1 585 . 9 1 1 A 44 44 GLU N N 44 118.630 119.059 -0.429 1
1 586 . 9 1 1 A 45 45 GLU H H 45 8.110 8.387 -0.277 1
1 587 . 9 1 1 A 45 45 GLU HA H 45 3.939 4.034 -0.095 1
1 592 . 9 1 1 A 45 45 GLU C C 45 178.600 179.199 -0.599 1
1 593 . 9 1 1 A 45 45 GLU CA C 45 59.650 58.932 0.718 1
1 594 . 9 1 1 A 45 45 GLU CB C 45 29.730 29.293 0.437 1
1 596 . 9 1 1 A 45 45 GLU N N 45 118.927 120.370 -1.443 1
1 597 . 9 1 1 A 46 46 ALA H H 46 8.363 8.363 0.000 1
1 598 . 9 1 1 A 46 46 ALA HA H 46 3.859 4.054 -0.195 1
1 602 . 9 1 1 A 46 46 ALA C C 46 181.500 179.517 1.983 1
1 603 . 9 1 1 A 46 46 ALA CA C 46 55.080 55.150 -0.070 1
1 604 . 9 1 1 A 46 46 ALA CB C 46 17.090 18.705 -1.615 1
1 605 . 9 1 1 A 46 46 ALA N N 46 120.991 122.514 -1.523 1
1 606 . 9 1 1 A 47 47 ILE H H 47 8.496 8.678 -0.182 1
1 607 . 9 1 1 A 47 47 ILE HA H 47 3.447 3.984 -0.537 1
1 617 . 9 1 1 A 47 47 ILE C C 47 177.000 177.645 -0.645 1
1 618 . 9 1 1 A 47 47 ILE CA C 47 65.110 62.660 2.450 1
1 619 . 9 1 1 A 47 47 ILE CB C 47 37.522 37.541 -0.019 1
1 623 . 9 1 1 A 47 47 ILE N N 47 120.499 118.128 2.371 1
1 624 . 9 1 1 A 48 48 LYS H H 48 8.546 7.987 0.559 1
1 625 . 9 1 1 A 48 48 LYS HA H 48 3.763 4.009 -0.246 1
1 634 . 9 1 1 A 48 48 LYS C C 48 179.400 179.870 -0.470 1
1 635 . 9 1 1 A 48 48 LYS CA C 48 61.430 59.486 1.944 1
1 636 . 9 1 1 A 48 48 LYS CB C 48 32.340 32.035 0.305 1
1 640 . 9 1 1 A 48 48 LYS N N 48 121.030 121.609 -0.579 1
1 641 . 9 1 1 A 49 49 GLU H H 49 8.518 8.322 0.196 1
1 642 . 9 1 1 A 49 49 GLU HA H 49 3.979 4.080 -0.101 1
1 647 . 9 1 1 A 49 49 GLU C C 49 178.400 178.731 -0.331 1
1 648 . 9 1 1 A 49 49 GLU CA C 49 60.230 59.145 1.085 1
1 649 . 9 1 1 A 49 49 GLU CB C 49 29.960 29.682 0.278 1
1 651 . 9 1 1 A 49 49 GLU N N 49 118.574 118.230 0.344 1
1 652 . 9 1 1 A 50 50 TYR H H 50 7.980 8.035 -0.055 1
1 653 . 9 1 1 A 50 50 TYR HA H 50 4.160 4.209 -0.049 1
1 660 . 9 1 1 A 50 50 TYR C C 50 178.000 177.233 0.767 1
1 661 . 9 1 1 A 50 50 TYR CA C 50 60.670 61.399 -0.729 1
1 662 . 9 1 1 A 50 50 TYR CB C 50 39.550 38.451 1.099 1
1 667 . 9 1 1 A 50 50 TYR N N 50 121.810 123.494 -1.684 1
1 668 . 9 1 1 A 51 51 LEU H H 51 8.342 8.398 -0.056 1
1 669 . 9 1 1 A 51 51 LEU HA H 51 3.464 3.726 -0.262 1
1 679 . 9 1 1 A 51 51 LEU C C 51 179.600 179.609 -0.009 1
1 680 . 9 1 1 A 51 51 LEU CA C 51 57.140 57.690 -0.550 1
1 681 . 9 1 1 A 51 51 LEU CB C 51 41.780 41.213 0.567 1
1 685 . 9 1 1 A 51 51 LEU N N 51 117.934 119.304 -1.370 1
1 686 . 9 1 1 A 52 52 GLN H H 52 8.397 7.751 0.646 1
1 687 . 9 1 1 A 52 52 GLN HA H 52 4.052 3.981 0.071 1
1 694 . 9 1 1 A 52 52 GLN C C 52 179.500 179.097 0.403 1
1 695 . 9 1 1 A 52 52 GLN CA C 52 59.140 58.896 0.244 1
1 696 . 9 1 1 A 52 52 GLN CB C 52 28.230 28.344 -0.114 1
1 699 . 9 1 1 A 52 52 GLN N N 52 120.458 118.687 1.771 1
1 701 . 9 1 1 A 53 53 LYS H H 53 7.534 7.965 -0.431 1
1 702 . 9 1 1 A 53 53 LYS HA H 53 4.038 4.045 -0.007 1
1 711 . 9 1 1 A 53 53 LYS C C 53 176.900 178.242 -1.342 1
1 712 . 9 1 1 A 53 53 LYS CA C 53 58.330 58.550 -0.220 1
1 713 . 9 1 1 A 53 53 LYS CB C 53 32.720 32.016 0.704 1
1 717 . 9 1 1 A 53 53 LYS N N 53 118.094 121.027 -2.933 1
1 718 . 9 1 1 A 54 54 ARG H H 54 6.789 7.624 -0.835 1
1 719 . 9 1 1 A 54 54 ARG HA H 54 4.155 4.255 -0.100 1
1 727 . 9 1 1 A 54 54 ARG C C 54 174.500 176.633 -2.133 1
1 728 . 9 1 1 A 54 54 ARG CA C 54 55.560 57.555 -1.995 1
1 729 . 9 1 1 A 54 54 ARG CB C 54 29.660 32.016 -2.356 1
1 732 . 9 1 1 A 54 54 ARG N N 54 116.828 118.311 -1.483 1
1 734 . 9 1 1 A 55 55 ASN H H 55 7.651 8.047 -0.396 1
1 735 . 9 1 1 A 55 55 ASN HA H 55 4.456 4.702 -0.246 1
1 740 . 9 1 1 A 55 55 ASN C C 55 174.100 176.570 -2.470 1
1 741 . 9 1 1 A 55 55 ASN CA C 55 54.760 53.748 1.012 1
1 742 . 9 1 1 A 55 55 ASN CB C 55 37.370 39.810 -2.440 1
1 744 . 9 1 1 A 55 55 ASN N N 55 115.626 114.026 1.600 1
1 130 . 10 1 1 A 12 12 GLN H H 12 8.154 8.914 -0.760 1
1 131 . 10 1 1 A 12 12 GLN HA H 12 4.247 4.082 0.165 1
1 136 . 10 1 1 A 12 12 GLN C C 12 175.800 175.058 0.742 1
1 137 . 10 1 1 A 12 12 GLN CA C 12 56.670 58.601 -1.931 1
1 138 . 10 1 1 A 12 12 GLN CB C 12 33.855 28.198 5.657 1
1 140 . 10 1 1 A 12 12 GLN N N 12 121.590 118.159 3.431 1
1 141 . 10 1 1 A 13 13 LYS H H 13 8.408 8.137 0.271 1
1 142 . 10 1 1 A 13 13 LYS HA H 13 4.538 4.903 -0.365 1
1 151 . 10 1 1 A 13 13 LYS C C 13 175.500 175.155 0.345 1
1 152 . 10 1 1 A 13 13 LYS CA C 13 55.500 54.937 0.563 1
1 153 . 10 1 1 A 13 13 LYS CB C 13 34.580 35.067 -0.487 1
1 157 . 10 1 1 A 13 13 LYS N N 13 121.913 116.607 5.306 1
1 158 . 10 1 1 A 14 14 ALA H H 14 8.771 8.656 0.115 1
1 159 . 10 1 1 A 14 14 ALA HA H 14 4.581 5.219 -0.638 1
1 163 . 10 1 1 A 14 14 ALA C C 14 176.100 175.414 0.686 1
1 164 . 10 1 1 A 14 14 ALA CA C 14 51.250 50.533 0.717 1
1 165 . 10 1 1 A 14 14 ALA CB C 14 21.540 24.144 -2.604 1
1 166 . 10 1 1 A 14 14 ALA N N 14 124.191 121.331 2.860 1
1 167 . 10 1 1 A 15 15 VAL H H 15 8.287 8.654 -0.367 1
1 168 . 10 1 1 A 15 15 VAL HA H 15 4.405 5.060 -0.655 1
1 176 . 10 1 1 A 15 15 VAL C C 15 175.300 175.034 0.266 1
1 177 . 10 1 1 A 15 15 VAL CA C 15 61.530 60.569 0.961 1
1 178 . 10 1 1 A 15 15 VAL CB C 15 32.980 34.423 -1.443 1
1 181 . 10 1 1 A 15 15 VAL N N 15 121.035 118.868 2.167 1
1 182 . 10 1 1 A 16 16 PHE H H 16 8.757 8.885 -0.128 1
1 183 . 10 1 1 A 16 16 PHE HA H 16 4.770 5.147 -0.377 1
1 191 . 10 1 1 A 16 16 PHE C C 16 173.200 173.659 -0.459 1
1 192 . 10 1 1 A 16 16 PHE CA C 16 56.180 56.194 -0.014 1
1 193 . 10 1 1 A 16 16 PHE CB C 16 40.820 42.511 -1.691 1
1 198 . 10 1 1 A 16 16 PHE N N 16 126.504 126.127 0.377 1
1 199 . 10 1 1 A 17 17 GLY H H 17 8.305 8.343 -0.038 1
1 200 . 10 1 1 A 17 17 GLY HA2 H 17 4.342 4.014 0.328 1
1 201 . 10 1 1 A 17 17 GLY HA3 H 17 3.240 4.016 -0.776 1
1 202 . 10 1 1 A 17 17 GLY C C 17 172.682 172.045 0.637 1
1 203 . 10 1 1 A 17 17 GLY CA C 17 45.070 44.748 0.322 1
1 204 . 10 1 1 A 17 17 GLY N N 17 111.670 111.483 0.187 1
1 205 . 10 1 1 A 18 18 ILE H H 18 8.375 8.576 -0.201 1
1 206 . 10 1 1 A 18 18 ILE HA H 18 4.245 4.778 -0.533 1
1 216 . 10 1 1 A 18 18 ILE C C 18 173.700 173.982 -0.282 1
1 217 . 10 1 1 A 18 18 ILE CA C 18 59.240 58.456 0.784 1
1 218 . 10 1 1 A 18 18 ILE CB C 18 40.310 41.488 -1.178 1
1 222 . 10 1 1 A 18 18 ILE N N 18 120.812 120.767 0.045 1
1 223 . 10 1 1 A 19 19 TYR H H 19 8.293 8.517 -0.224 1
1 224 . 10 1 1 A 19 19 TYR HA H 19 4.942 5.073 -0.131 1
1 231 . 10 1 1 A 19 19 TYR C C 19 174.900 175.852 -0.952 1
1 232 . 10 1 1 A 19 19 TYR CA C 19 56.730 56.596 0.134 1
1 233 . 10 1 1 A 19 19 TYR CB C 19 39.200 39.055 0.145 1
1 238 . 10 1 1 A 19 19 TYR N N 19 123.869 120.672 3.197 1
1 239 . 10 1 1 A 20 20 MET H H 20 8.513 8.634 -0.121 1
1 240 . 10 1 1 A 20 20 MET HA H 20 4.727 5.424 -0.697 1
1 248 . 10 1 1 A 20 20 MET C C 20 174.100 175.926 -1.826 1
1 249 . 10 1 1 A 20 20 MET CA C 20 54.350 53.074 1.276 1
1 250 . 10 1 1 A 20 20 MET CB C 20 37.450 35.697 1.753 1
1 253 . 10 1 1 A 20 20 MET N N 20 120.765 121.880 -1.115 1
1 254 . 10 1 1 A 21 21 ASP H H 21 9.139 8.673 0.466 1
1 255 . 10 1 1 A 21 21 ASP HA H 21 4.418 4.614 -0.196 1
1 258 . 10 1 1 A 21 21 ASP C C 21 176.600 177.137 -0.537 1
1 259 . 10 1 1 A 21 21 ASP CA C 21 55.560 54.669 0.891 1
1 260 . 10 1 1 A 21 21 ASP CB C 21 42.910 41.590 1.320 1
1 261 . 10 1 1 A 21 21 ASP N N 21 125.274 120.760 4.514 1
1 262 . 10 1 1 A 22 22 LYS H H 22 8.821 8.736 0.085 1
1 263 . 10 1 1 A 22 22 LYS HA H 22 3.851 3.940 -0.089 1
1 272 . 10 1 1 A 22 22 LYS C C 22 178.200 177.718 0.482 1
1 273 . 10 1 1 A 22 22 LYS CA C 22 60.170 59.606 0.564 1
1 274 . 10 1 1 A 22 22 LYS CB C 22 32.780 32.378 0.402 1
1 278 . 10 1 1 A 22 22 LYS N N 22 126.689 123.706 2.983 1
1 279 . 10 1 1 A 23 23 ASP H H 23 8.421 8.228 0.193 1
1 280 . 10 1 1 A 23 23 ASP HA H 23 4.454 4.316 0.138 1
1 283 . 10 1 1 A 23 23 ASP C C 23 178.700 178.354 0.346 1
1 284 . 10 1 1 A 23 23 ASP CA C 23 57.310 57.563 -0.253 1
1 285 . 10 1 1 A 23 23 ASP CB C 23 40.200 42.034 -1.834 1
1 286 . 10 1 1 A 23 23 ASP N N 23 120.894 119.501 1.393 1
1 287 . 10 1 1 A 24 24 LEU H H 24 8.079 7.891 0.188 1
1 288 . 10 1 1 A 24 24 LEU HA H 24 4.029 4.043 -0.014 1
1 298 . 10 1 1 A 24 24 LEU C C 24 177.900 178.266 -0.366 1
1 299 . 10 1 1 A 24 24 LEU CA C 24 57.460 58.063 -0.603 1
1 300 . 10 1 1 A 24 24 LEU CB C 24 42.000 41.923 0.077 1
1 304 . 10 1 1 A 24 24 LEU N N 24 123.406 120.365 3.041 1
1 305 . 10 1 1 A 25 25 LYS H H 25 7.976 8.193 -0.217 1
1 306 . 10 1 1 A 25 25 LYS HA H 25 3.666 4.064 -0.398 1
1 315 . 10 1 1 A 25 25 LYS C C 25 178.200 179.179 -0.979 1
1 316 . 10 1 1 A 25 25 LYS CA C 25 60.350 59.319 1.031 1
1 317 . 10 1 1 A 25 25 LYS CB C 25 31.870 32.061 -0.191 1
1 321 . 10 1 1 A 25 25 LYS N N 25 119.319 118.763 0.556 1
1 322 . 10 1 1 A 26 26 THR H H 26 8.193 8.557 -0.364 1
1 323 . 10 1 1 A 26 26 THR HA H 26 3.803 3.870 -0.067 1
1 328 . 10 1 1 A 26 26 THR C C 26 175.400 176.069 -0.669 1
1 329 . 10 1 1 A 26 26 THR CA C 26 67.110 67.152 -0.042 1
1 330 . 10 1 1 A 26 26 THR CB C 26 68.520 68.284 0.236 1
1 332 . 10 1 1 A 26 26 THR N N 26 116.606 117.560 -0.954 1
1 333 . 10 1 1 A 27 27 ARG H H 27 8.032 8.334 -0.302 1
1 334 . 10 1 1 A 27 27 ARG HA H 27 3.986 4.108 -0.122 1
1 342 . 10 1 1 A 27 27 ARG C C 27 179.900 178.657 1.243 1
1 343 . 10 1 1 A 27 27 ARG CA C 27 59.730 59.513 0.217 1
1 344 . 10 1 1 A 27 27 ARG CB C 27 31.850 29.719 2.131 1
1 347 . 10 1 1 A 27 27 ARG N N 27 121.054 120.673 0.381 1
1 349 . 10 1 1 A 28 28 LEU H H 28 8.485 7.944 0.541 1
1 350 . 10 1 1 A 28 28 LEU HA H 28 4.270 4.180 0.090 1
1 360 . 10 1 1 A 28 28 LEU C C 28 178.000 178.368 -0.368 1
1 361 . 10 1 1 A 28 28 LEU CA C 28 58.090 57.667 0.423 1
1 362 . 10 1 1 A 28 28 LEU CB C 28 42.020 41.915 0.105 1
1 366 . 10 1 1 A 28 28 LEU N N 28 121.174 121.156 0.018 1
1 367 . 10 1 1 A 29 29 LYS H H 29 8.699 8.278 0.421 1
1 368 . 10 1 1 A 29 29 LYS HA H 29 3.899 4.025 -0.126 1
1 377 . 10 1 1 A 29 29 LYS C C 29 179.700 178.795 0.905 1
1 378 . 10 1 1 A 29 29 LYS CA C 29 60.760 59.626 1.134 1
1 379 . 10 1 1 A 29 29 LYS CB C 29 31.950 32.087 -0.137 1
1 383 . 10 1 1 A 29 29 LYS N N 29 121.221 119.692 1.529 1
1 384 . 10 1 1 A 30 30 VAL H H 30 8.616 7.872 0.744 1
1 385 . 10 1 1 A 30 30 VAL HA H 30 3.740 3.646 0.094 1
1 393 . 10 1 1 A 30 30 VAL C C 30 178.100 177.671 0.429 1
1 394 . 10 1 1 A 30 30 VAL CA C 30 66.610 65.971 0.639 1
1 395 . 10 1 1 A 30 30 VAL CB C 30 32.040 31.472 0.568 1
1 398 . 10 1 1 A 30 30 VAL N N 30 121.029 119.133 1.896 1
1 399 . 10 1 1 A 31 31 TYR H H 31 7.998 7.964 0.034 1
1 400 . 10 1 1 A 31 31 TYR HA H 31 4.029 4.087 -0.058 1
1 407 . 10 1 1 A 31 31 TYR C C 31 179.000 178.012 0.988 1
1 408 . 10 1 1 A 31 31 TYR CA C 31 62.830 61.842 0.988 1
1 409 . 10 1 1 A 31 31 TYR CB C 31 39.040 38.543 0.497 1
1 414 . 10 1 1 A 31 31 TYR N N 31 121.235 120.861 0.374 1
1 415 . 10 1 1 A 32 32 CYS H H 32 8.833 8.648 0.185 1
1 416 . 10 1 1 A 32 32 CYS HA H 32 3.889 4.230 -0.341 1
1 419 . 10 1 1 A 32 32 CYS C C 32 176.800 176.395 0.405 1
1 420 . 10 1 1 A 32 32 CYS CA C 32 65.290 61.298 3.992 1
1 421 . 10 1 1 A 32 32 CYS CB C 32 26.040 26.683 -0.643 1
1 422 . 10 1 1 A 32 32 CYS N N 32 118.092 117.048 1.044 1
1 423 . 10 1 1 A 33 33 ALA H H 33 8.238 7.596 0.642 1
1 424 . 10 1 1 A 33 33 ALA HA H 33 4.215 4.171 0.044 1
1 428 . 10 1 1 A 33 33 ALA C C 33 180.900 179.463 1.437 1
1 429 . 10 1 1 A 33 33 ALA CA C 33 54.880 54.623 0.257 1
1 430 . 10 1 1 A 33 33 ALA CB C 33 18.010 18.578 -0.568 1
1 431 . 10 1 1 A 33 33 ALA N N 33 122.005 122.475 -0.470 1
1 432 . 10 1 1 A 34 34 LYS H H 34 7.883 8.081 -0.198 1
1 433 . 10 1 1 A 34 34 LYS HA H 34 4.044 3.961 0.083 1
1 442 . 10 1 1 A 34 34 LYS C C 34 177.100 178.067 -0.967 1
1 443 . 10 1 1 A 34 34 LYS CA C 34 58.490 59.289 -0.799 1
1 444 . 10 1 1 A 34 34 LYS CB C 34 32.900 32.513 0.387 1
1 448 . 10 1 1 A 34 34 LYS N N 34 117.252 118.264 -1.012 1
1 449 . 10 1 1 A 35 35 ASN H H 35 7.122 7.924 -0.802 1
1 450 . 10 1 1 A 35 35 ASN HA H 35 4.698 4.714 -0.016 1
1 455 . 10 1 1 A 35 35 ASN C C 35 172.600 174.334 -1.734 1
1 456 . 10 1 1 A 35 35 ASN CA C 35 53.490 52.576 0.914 1
1 457 . 10 1 1 A 35 35 ASN CB C 35 39.930 38.267 1.663 1
1 459 . 10 1 1 A 35 35 ASN N N 35 113.516 114.363 -0.847 1
1 461 . 10 1 1 A 36 36 ASN H H 36 7.650 7.992 -0.342 1
1 462 . 10 1 1 A 36 36 ASN HA H 36 4.364 4.463 -0.099 1
1 467 . 10 1 1 A 36 36 ASN C C 36 173.600 174.550 -0.950 1
1 468 . 10 1 1 A 36 36 ASN CA C 36 54.490 54.324 0.166 1
1 469 . 10 1 1 A 36 36 ASN CB C 36 37.050 37.400 -0.350 1
1 471 . 10 1 1 A 36 36 ASN N N 36 116.989 115.128 1.861 1
1 473 . 10 1 1 A 37 37 LEU H H 37 8.356 7.889 0.467 1
1 474 . 10 1 1 A 37 37 LEU HA H 37 4.741 4.295 0.446 1
1 484 . 10 1 1 A 37 37 LEU C C 37 177.100 176.714 0.386 1
1 485 . 10 1 1 A 37 37 LEU CA C 37 53.380 54.807 -1.427 1
1 486 . 10 1 1 A 37 37 LEU CB C 37 46.170 42.466 3.704 1
1 490 . 10 1 1 A 37 37 LEU N N 37 118.046 118.931 -0.885 1
1 491 . 10 1 1 A 38 38 GLN H H 38 8.649 8.862 -0.213 1
1 492 . 10 1 1 A 38 38 GLN HA H 38 4.436 4.377 0.059 1
1 499 . 10 1 1 A 38 38 GLN C C 38 177.400 177.155 0.245 1
1 500 . 10 1 1 A 38 38 GLN CA C 38 54.870 55.491 -0.621 1
1 501 . 10 1 1 A 38 38 GLN CB C 38 29.490 29.622 -0.132 1
1 504 . 10 1 1 A 38 38 GLN N N 38 120.404 120.609 -0.205 1
1 506 . 10 1 1 A 39 39 LEU H H 39 8.862 8.785 0.077 1
1 507 . 10 1 1 A 39 39 LEU HA H 39 4.288 4.224 0.064 1
1 517 . 10 1 1 A 39 39 LEU C C 39 178.800 178.713 0.087 1
1 518 . 10 1 1 A 39 39 LEU CA C 39 59.270 58.249 1.021 1
1 519 . 10 1 1 A 39 39 LEU CB C 39 42.190 42.148 0.042 1
1 523 . 10 1 1 A 39 39 LEU N N 39 126.026 125.836 0.190 1
1 524 . 10 1 1 A 40 40 THR H H 40 8.408 8.252 0.156 1
1 525 . 10 1 1 A 40 40 THR HA H 40 3.819 3.879 -0.060 1
1 530 . 10 1 1 A 40 40 THR C C 40 175.700 176.353 -0.653 1
1 531 . 10 1 1 A 40 40 THR CA C 40 66.760 67.161 -0.401 1
1 532 . 10 1 1 A 40 40 THR CB C 40 68.620 68.568 0.052 1
1 534 . 10 1 1 A 40 40 THR N N 40 110.087 115.320 -5.233 1
1 535 . 10 1 1 A 41 41 GLN H H 41 6.817 8.318 -1.501 1
1 536 . 10 1 1 A 41 41 GLN HA H 41 4.192 3.940 0.252 1
1 543 . 10 1 1 A 41 41 GLN C C 41 178.000 177.998 0.002 1
1 544 . 10 1 1 A 41 41 GLN CA C 41 58.650 58.529 0.121 1
1 545 . 10 1 1 A 41 41 GLN CB C 41 28.850 28.308 0.542 1
1 547 . 10 1 1 A 41 41 GLN N N 41 119.955 121.637 -1.682 1
1 549 . 10 1 1 A 42 42 ALA H H 42 7.755 7.924 -0.169 1
1 550 . 10 1 1 A 42 42 ALA HA H 42 4.002 4.146 -0.144 1
1 554 . 10 1 1 A 42 42 ALA C C 42 178.300 179.661 -1.361 1
1 555 . 10 1 1 A 42 42 ALA CA C 42 55.190 54.940 0.250 1
1 556 . 10 1 1 A 42 42 ALA CB C 42 19.570 18.485 1.085 1
1 557 . 10 1 1 A 42 42 ALA N N 42 121.978 121.932 0.046 1
1 558 . 10 1 1 A 43 43 ILE H H 43 8.118 8.247 -0.129 1
1 559 . 10 1 1 A 43 43 ILE HA H 43 3.184 3.533 -0.349 1
1 569 . 10 1 1 A 43 43 ILE C C 43 177.300 177.921 -0.621 1
1 570 . 10 1 1 A 43 43 ILE CA C 43 65.600 65.347 0.253 1
1 571 . 10 1 1 A 43 43 ILE CB C 43 37.550 37.787 -0.237 1
1 574 . 10 1 1 A 43 43 ILE N N 43 115.574 118.615 -3.041 1
1 575 . 10 1 1 A 44 44 GLU H H 44 7.990 8.477 -0.487 1
1 576 . 10 1 1 A 44 44 GLU HA H 44 3.678 3.924 -0.246 1
1 581 . 10 1 1 A 44 44 GLU C C 44 178.400 179.623 -1.223 1
1 582 . 10 1 1 A 44 44 GLU CA C 44 61.090 59.920 1.170 1
1 583 . 10 1 1 A 44 44 GLU CB C 44 29.630 29.416 0.214 1
1 585 . 10 1 1 A 44 44 GLU N N 44 118.630 118.964 -0.334 1
1 586 . 10 1 1 A 45 45 GLU H H 45 8.110 8.306 -0.196 1
1 587 . 10 1 1 A 45 45 GLU HA H 45 3.939 4.029 -0.090 1
1 592 . 10 1 1 A 45 45 GLU C C 45 178.600 179.064 -0.464 1
1 593 . 10 1 1 A 45 45 GLU CA C 45 59.650 59.318 0.332 1
1 594 . 10 1 1 A 45 45 GLU CB C 45 29.730 29.503 0.227 1
1 596 . 10 1 1 A 45 45 GLU N N 45 118.927 120.773 -1.846 1
1 597 . 10 1 1 A 46 46 ALA H H 46 8.363 8.214 0.149 1
1 598 . 10 1 1 A 46 46 ALA HA H 46 3.859 4.055 -0.196 1
1 602 . 10 1 1 A 46 46 ALA C C 46 181.500 179.569 1.931 1
1 603 . 10 1 1 A 46 46 ALA CA C 46 55.080 55.123 -0.043 1
1 604 . 10 1 1 A 46 46 ALA CB C 46 17.090 18.706 -1.616 1
1 605 . 10 1 1 A 46 46 ALA N N 46 120.991 121.761 -0.770 1
1 606 . 10 1 1 A 47 47 ILE H H 47 8.496 8.616 -0.120 1
1 607 . 10 1 1 A 47 47 ILE HA H 47 3.447 3.956 -0.509 1
1 617 . 10 1 1 A 47 47 ILE C C 47 177.000 177.555 -0.555 1
1 618 . 10 1 1 A 47 47 ILE CA C 47 65.110 62.686 2.424 1
1 619 . 10 1 1 A 47 47 ILE CB C 47 37.522 37.382 0.140 1
1 623 . 10 1 1 A 47 47 ILE N N 47 120.499 118.100 2.399 1
1 624 . 10 1 1 A 48 48 LYS H H 48 8.546 8.354 0.192 1
1 625 . 10 1 1 A 48 48 LYS HA H 48 3.763 4.080 -0.317 1
1 634 . 10 1 1 A 48 48 LYS C C 48 179.400 179.745 -0.345 1
1 635 . 10 1 1 A 48 48 LYS CA C 48 61.430 59.773 1.657 1
1 636 . 10 1 1 A 48 48 LYS CB C 48 32.340 32.066 0.274 1
1 640 . 10 1 1 A 48 48 LYS N N 48 121.030 121.792 -0.762 1
1 641 . 10 1 1 A 49 49 GLU H H 49 8.518 8.608 -0.090 1
1 642 . 10 1 1 A 49 49 GLU HA H 49 3.979 4.085 -0.106 1
1 647 . 10 1 1 A 49 49 GLU C C 49 178.400 178.695 -0.295 1
1 648 . 10 1 1 A 49 49 GLU CA C 49 60.230 59.077 1.153 1
1 649 . 10 1 1 A 49 49 GLU CB C 49 29.960 29.580 0.380 1
1 651 . 10 1 1 A 49 49 GLU N N 49 118.574 118.290 0.284 1
1 652 . 10 1 1 A 50 50 TYR H H 50 7.980 8.056 -0.076 1
1 653 . 10 1 1 A 50 50 TYR HA H 50 4.160 4.225 -0.065 1
1 660 . 10 1 1 A 50 50 TYR C C 50 178.000 177.221 0.779 1
1 661 . 10 1 1 A 50 50 TYR CA C 50 60.670 61.432 -0.762 1
1 662 . 10 1 1 A 50 50 TYR CB C 50 39.550 38.410 1.140 1
1 667 . 10 1 1 A 50 50 TYR N N 50 121.810 123.486 -1.676 1
1 668 . 10 1 1 A 51 51 LEU H H 51 8.342 8.302 0.040 1
1 669 . 10 1 1 A 51 51 LEU HA H 51 3.464 3.677 -0.213 1
1 679 . 10 1 1 A 51 51 LEU C C 51 179.600 179.276 0.324 1
1 680 . 10 1 1 A 51 51 LEU CA C 51 57.140 57.819 -0.679 1
1 681 . 10 1 1 A 51 51 LEU CB C 51 41.780 41.335 0.445 1
1 685 . 10 1 1 A 51 51 LEU N N 51 117.934 119.708 -1.774 1
1 686 . 10 1 1 A 52 52 GLN H H 52 8.397 7.712 0.685 1
1 687 . 10 1 1 A 52 52 GLN HA H 52 4.052 4.023 0.029 1
1 694 . 10 1 1 A 52 52 GLN C C 52 179.500 178.630 0.870 1
1 695 . 10 1 1 A 52 52 GLN CA C 52 59.140 58.714 0.426 1
1 696 . 10 1 1 A 52 52 GLN CB C 52 28.230 28.084 0.146 1
1 699 . 10 1 1 A 52 52 GLN N N 52 120.458 118.136 2.322 1
1 701 . 10 1 1 A 53 53 LYS H H 53 7.534 7.663 -0.129 1
1 702 . 10 1 1 A 53 53 LYS HA H 53 4.038 4.049 -0.011 1
1 711 . 10 1 1 A 53 53 LYS C C 53 176.900 178.271 -1.371 1
1 712 . 10 1 1 A 53 53 LYS CA C 53 58.330 58.678 -0.348 1
1 713 . 10 1 1 A 53 53 LYS CB C 53 32.720 31.951 0.769 1
1 717 . 10 1 1 A 53 53 LYS N N 53 118.094 121.043 -2.949 1
1 718 . 10 1 1 A 54 54 ARG H H 54 6.789 7.763 -0.974 1
1 719 . 10 1 1 A 54 54 ARG HA H 54 4.155 4.252 -0.097 1
1 727 . 10 1 1 A 54 54 ARG C C 54 174.500 176.449 -1.949 1
1 728 . 10 1 1 A 54 54 ARG CA C 54 55.560 57.528 -1.968 1
1 729 . 10 1 1 A 54 54 ARG CB C 54 29.660 32.224 -2.564 1
1 732 . 10 1 1 A 54 54 ARG N N 54 116.828 118.294 -1.466 1
1 734 . 10 1 1 A 55 55 ASN H H 55 7.651 7.726 -0.075 1
1 735 . 10 1 1 A 55 55 ASN HA H 55 4.456 4.732 -0.276 1
1 740 . 10 1 1 A 55 55 ASN C C 55 174.100 176.405 -2.305 1
1 741 . 10 1 1 A 55 55 ASN CA C 55 54.760 53.846 0.914 1
1 742 . 10 1 1 A 55 55 ASN CB C 55 37.370 39.813 -2.443 1
1 744 . 10 1 1 A 55 55 ASN N N 55 115.626 113.897 1.729 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 44 0.971 1
2 1 1 1 "RMS(OBS, PRED)" CA 44 1.040 1
3 1 1 1 "RMS(OBS, PRED)" CB 43 1.449 1
4 1 1 1 "RMS(OBS, PRED)" H 44 0.430 1
5 1 1 1 "RMS(OBS, PRED)" HA 45 0.299 1
6 1 1 1 "RMS(OBS, PRED)" N 44 1.842 1
7 1 2 1 "RMS(OBS, PRED)" C 44 0.967 1
8 1 2 1 "RMS(OBS, PRED)" CA 44 1.010 1
9 1 2 1 "RMS(OBS, PRED)" CB 43 1.395 1
10 1 2 1 "RMS(OBS, PRED)" H 44 0.420 1
11 1 2 1 "RMS(OBS, PRED)" HA 45 0.303 1
12 1 2 1 "RMS(OBS, PRED)" N 44 1.886 1
13 1 3 1 "RMS(OBS, PRED)" C 44 0.952 1
14 1 3 1 "RMS(OBS, PRED)" CA 44 1.065 1
15 1 3 1 "RMS(OBS, PRED)" CB 43 1.336 1
16 1 3 1 "RMS(OBS, PRED)" H 44 0.449 1
17 1 3 1 "RMS(OBS, PRED)" HA 45 0.308 1
18 1 3 1 "RMS(OBS, PRED)" N 44 1.871 1
19 1 4 1 "RMS(OBS, PRED)" C 44 1.002 1
20 1 4 1 "RMS(OBS, PRED)" CA 44 1.049 1
21 1 4 1 "RMS(OBS, PRED)" CB 43 1.416 1
22 1 4 1 "RMS(OBS, PRED)" H 44 0.422 1
23 1 4 1 "RMS(OBS, PRED)" HA 45 0.310 1
24 1 4 1 "RMS(OBS, PRED)" N 44 1.884 1
25 1 5 1 "RMS(OBS, PRED)" C 44 0.978 1
26 1 5 1 "RMS(OBS, PRED)" CA 44 1.050 1
27 1 5 1 "RMS(OBS, PRED)" CB 43 1.315 1
28 1 5 1 "RMS(OBS, PRED)" H 44 0.452 1
29 1 5 1 "RMS(OBS, PRED)" HA 45 0.311 1
30 1 5 1 "RMS(OBS, PRED)" N 44 2.060 1
31 1 6 1 "RMS(OBS, PRED)" C 44 0.963 1
32 1 6 1 "RMS(OBS, PRED)" CA 44 1.081 1
33 1 6 1 "RMS(OBS, PRED)" CB 43 1.675 1
34 1 6 1 "RMS(OBS, PRED)" H 44 0.428 1
35 1 6 1 "RMS(OBS, PRED)" HA 45 0.304 1
36 1 6 1 "RMS(OBS, PRED)" N 44 2.027 1
37 1 7 1 "RMS(OBS, PRED)" C 44 0.936 1
38 1 7 1 "RMS(OBS, PRED)" CA 44 1.090 1
39 1 7 1 "RMS(OBS, PRED)" CB 43 1.416 1
40 1 7 1 "RMS(OBS, PRED)" H 44 0.446 1
41 1 7 1 "RMS(OBS, PRED)" HA 45 0.308 1
42 1 7 1 "RMS(OBS, PRED)" N 44 1.924 1
43 1 8 1 "RMS(OBS, PRED)" C 44 0.980 1
44 1 8 1 "RMS(OBS, PRED)" CA 44 0.977 1
45 1 8 1 "RMS(OBS, PRED)" CB 43 1.446 1
46 1 8 1 "RMS(OBS, PRED)" H 44 0.405 1
47 1 8 1 "RMS(OBS, PRED)" HA 45 0.288 1
48 1 8 1 "RMS(OBS, PRED)" N 44 1.861 1
49 1 9 1 "RMS(OBS, PRED)" C 44 0.975 1
50 1 9 1 "RMS(OBS, PRED)" CA 44 0.968 1
51 1 9 1 "RMS(OBS, PRED)" CB 43 1.425 1
52 1 9 1 "RMS(OBS, PRED)" H 44 0.436 1
53 1 9 1 "RMS(OBS, PRED)" HA 45 0.305 1
54 1 9 1 "RMS(OBS, PRED)" N 44 1.921 1
55 1 10 1 "RMS(OBS, PRED)" C 44 0.969 1
56 1 10 1 "RMS(OBS, PRED)" CA 44 1.101 1
57 1 10 1 "RMS(OBS, PRED)" CB 43 1.509 1
58 1 10 1 "RMS(OBS, PRED)" H 44 0.436 1
59 1 10 1 "RMS(OBS, PRED)" HA 45 0.304 1
60 1 10 1 "RMS(OBS, PRED)" N 44 2.129 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
1 130 . 1 1 A 12 12 GLN H H 12 8.154 8.045 0.109 2
1 131 . 1 1 A 12 12 GLN HA H 12 4.247 4.399 -0.152 2
1 136 . 1 1 A 12 12 GLN C C 12 175.800 175.586 0.214 2
1 137 . 1 1 A 12 12 GLN CA C 12 56.670 56.234 0.436 2
1 138 . 1 1 A 12 12 GLN CB C 12 33.855 29.004 4.851 2
1 140 . 1 1 A 12 12 GLN N N 12 121.590 118.415 3.175 2
1 141 . 1 1 A 13 13 LYS H H 13 8.408 8.755 -0.347 2
1 142 . 1 1 A 13 13 LYS HA H 13 4.538 5.020 -0.482 2
1 151 . 1 1 A 13 13 LYS C C 13 175.500 175.273 0.227 2
1 152 . 1 1 A 13 13 LYS CA C 13 55.500 54.895 0.605 2
1 153 . 1 1 A 13 13 LYS CB C 13 34.580 34.800 -0.220 2
1 157 . 1 1 A 13 13 LYS N N 13 121.913 120.827 1.086 2
1 158 . 1 1 A 14 14 ALA H H 14 8.771 8.726 0.045 2
1 159 . 1 1 A 14 14 ALA HA H 14 4.581 5.210 -0.629 2
1 163 . 1 1 A 14 14 ALA C C 14 176.100 175.444 0.656 2
1 164 . 1 1 A 14 14 ALA CA C 14 51.250 50.497 0.753 2
1 165 . 1 1 A 14 14 ALA CB C 14 21.540 24.080 -2.540 2
1 166 . 1 1 A 14 14 ALA N N 14 124.191 121.876 2.316 2
1 167 . 1 1 A 15 15 VAL H H 15 8.287 8.598 -0.311 2
1 168 . 1 1 A 15 15 VAL HA H 15 4.405 5.045 -0.640 2
1 176 . 1 1 A 15 15 VAL C C 15 175.300 175.101 0.199 2
1 177 . 1 1 A 15 15 VAL CA C 15 61.530 60.589 0.941 2
1 178 . 1 1 A 15 15 VAL CB C 15 32.980 34.394 -1.414 2
1 181 . 1 1 A 15 15 VAL N N 15 121.035 118.734 2.300 2
1 182 . 1 1 A 16 16 PHE H H 16 8.757 8.896 -0.139 2
1 183 . 1 1 A 16 16 PHE HA H 16 4.770 5.080 -0.310 2
1 191 . 1 1 A 16 16 PHE C C 16 173.200 173.630 -0.430 2
1 192 . 1 1 A 16 16 PHE CA C 16 56.180 56.512 -0.332 2
1 193 . 1 1 A 16 16 PHE CB C 16 40.820 42.286 -1.466 2
1 198 . 1 1 A 16 16 PHE N N 16 126.504 126.076 0.428 2
1 199 . 1 1 A 17 17 GLY H H 17 8.305 8.562 -0.258 2
1 200 . 1 1 A 17 17 GLY HA2 H 17 4.342 4.004 0.338 2
1 201 . 1 1 A 17 17 GLY HA3 H 17 3.240 4.014 -0.774 2
1 202 . 1 1 A 17 17 GLY C C 17 172.682 172.185 0.497 2
1 203 . 1 1 A 17 17 GLY CA C 17 45.070 44.794 0.276 2
1 204 . 1 1 A 17 17 GLY N N 17 111.670 111.663 0.007 2
1 205 . 1 1 A 18 18 ILE H H 18 8.375 8.565 -0.190 2
1 206 . 1 1 A 18 18 ILE HA H 18 4.245 4.744 -0.499 2
1 216 . 1 1 A 18 18 ILE C C 18 173.700 173.929 -0.229 2
1 217 . 1 1 A 18 18 ILE CA C 18 59.240 58.390 0.850 2
1 218 . 1 1 A 18 18 ILE CB C 18 40.310 41.507 -1.197 2
1 222 . 1 1 A 18 18 ILE N N 18 120.812 120.559 0.253 2
1 223 . 1 1 A 19 19 TYR H H 19 8.293 8.551 -0.258 2
1 224 . 1 1 A 19 19 TYR HA H 19 4.942 5.022 -0.080 2
1 231 . 1 1 A 19 19 TYR C C 19 174.900 175.626 -0.726 2
1 232 . 1 1 A 19 19 TYR CA C 19 56.730 56.564 0.166 2
1 233 . 1 1 A 19 19 TYR CB C 19 39.200 38.997 0.203 2
1 238 . 1 1 A 19 19 TYR N N 19 123.869 120.794 3.075 2
1 239 . 1 1 A 20 20 MET H H 20 8.513 8.671 -0.158 2
1 240 . 1 1 A 20 20 MET HA H 20 4.727 5.373 -0.646 2
1 248 . 1 1 A 20 20 MET C C 20 174.100 175.856 -1.756 2
1 249 . 1 1 A 20 20 MET CA C 20 54.350 52.995 1.355 2
1 250 . 1 1 A 20 20 MET CB C 20 37.450 35.517 1.933 2
1 253 . 1 1 A 20 20 MET N N 20 120.765 121.891 -1.126 2
1 254 . 1 1 A 21 21 ASP H H 21 9.139 8.689 0.450 2
1 255 . 1 1 A 21 21 ASP HA H 21 4.418 4.625 -0.207 2
1 258 . 1 1 A 21 21 ASP C C 21 176.600 177.109 -0.509 2
1 259 . 1 1 A 21 21 ASP CA C 21 55.560 54.689 0.871 2
1 260 . 1 1 A 21 21 ASP CB C 21 42.910 41.586 1.324 2
1 261 . 1 1 A 21 21 ASP N N 21 125.274 120.454 4.820 2
1 262 . 1 1 A 22 22 LYS H H 22 8.821 8.758 0.062 2
1 263 . 1 1 A 22 22 LYS HA H 22 3.851 3.988 -0.137 2
1 272 . 1 1 A 22 22 LYS C C 22 178.200 177.712 0.488 2
1 273 . 1 1 A 22 22 LYS CA C 22 60.170 59.450 0.721 2
1 274 . 1 1 A 22 22 LYS CB C 22 32.780 32.388 0.392 2
1 278 . 1 1 A 22 22 LYS N N 22 126.689 123.668 3.021 2
1 279 . 1 1 A 23 23 ASP H H 23 8.421 8.180 0.241 2
1 280 . 1 1 A 23 23 ASP HA H 23 4.454 4.325 0.129 2
1 283 . 1 1 A 23 23 ASP C C 23 178.700 178.250 0.450 2
1 284 . 1 1 A 23 23 ASP CA C 23 57.310 57.372 -0.062 2
1 285 . 1 1 A 23 23 ASP CB C 23 40.200 41.886 -1.686 2
1 286 . 1 1 A 23 23 ASP N N 23 120.894 119.505 1.389 2
1 287 . 1 1 A 24 24 LEU H H 24 8.079 7.883 0.196 2
1 288 . 1 1 A 24 24 LEU HA H 24 4.029 4.101 -0.072 2
1 298 . 1 1 A 24 24 LEU C C 24 177.900 178.308 -0.408 2
1 299 . 1 1 A 24 24 LEU CA C 24 57.460 57.947 -0.487 2
1 300 . 1 1 A 24 24 LEU CB C 24 42.000 41.867 0.133 2
1 304 . 1 1 A 24 24 LEU N N 24 123.406 120.290 3.116 2
1 305 . 1 1 A 25 25 LYS H H 25 7.976 8.062 -0.086 2
1 306 . 1 1 A 25 25 LYS HA H 25 3.666 4.033 -0.367 2
1 315 . 1 1 A 25 25 LYS C C 25 178.200 178.940 -0.740 2
1 316 . 1 1 A 25 25 LYS CA C 25 60.350 59.442 0.908 2
1 317 . 1 1 A 25 25 LYS CB C 25 31.870 32.109 -0.239 2
1 321 . 1 1 A 25 25 LYS N N 25 119.319 118.873 0.446 2
1 322 . 1 1 A 26 26 THR H H 26 8.193 8.667 -0.474 2
1 323 . 1 1 A 26 26 THR HA H 26 3.803 3.967 -0.164 2
1 328 . 1 1 A 26 26 THR C C 26 175.400 176.359 -0.959 2
1 329 . 1 1 A 26 26 THR CA C 26 67.110 66.583 0.527 2
1 330 . 1 1 A 26 26 THR CB C 26 68.520 68.486 0.034 2
1 332 . 1 1 A 26 26 THR N N 26 116.606 117.467 -0.861 2
1 333 . 1 1 A 27 27 ARG H H 27 8.032 8.154 -0.122 2
1 334 . 1 1 A 27 27 ARG HA H 27 3.986 4.076 -0.090 2
1 342 . 1 1 A 27 27 ARG C C 27 179.900 178.558 1.342 2
1 343 . 1 1 A 27 27 ARG CA C 27 59.730 59.639 0.091 2
1 344 . 1 1 A 27 27 ARG CB C 27 31.850 29.833 2.017 2
1 347 . 1 1 A 27 27 ARG N N 27 121.054 120.979 0.075 2
1 349 . 1 1 A 28 28 LEU H H 28 8.485 8.015 0.470 2
1 350 . 1 1 A 28 28 LEU HA H 28 4.270 4.162 0.108 2
1 360 . 1 1 A 28 28 LEU C C 28 178.000 178.464 -0.464 2
1 361 . 1 1 A 28 28 LEU CA C 28 58.090 57.626 0.464 2
1 362 . 1 1 A 28 28 LEU CB C 28 42.020 41.929 0.091 2
1 366 . 1 1 A 28 28 LEU N N 28 121.174 120.846 0.328 2
1 367 . 1 1 A 29 29 LYS H H 29 8.699 8.253 0.446 2
1 368 . 1 1 A 29 29 LYS HA H 29 3.899 4.036 -0.137 2
1 377 . 1 1 A 29 29 LYS C C 29 179.700 178.910 0.790 2
1 378 . 1 1 A 29 29 LYS CA C 29 60.760 59.666 1.094 2
1 379 . 1 1 A 29 29 LYS CB C 29 31.950 32.057 -0.107 2
1 383 . 1 1 A 29 29 LYS N N 29 121.221 119.675 1.546 2
1 384 . 1 1 A 30 30 VAL H H 30 8.616 7.933 0.683 2
1 385 . 1 1 A 30 30 VAL HA H 30 3.740 3.631 0.109 2
1 393 . 1 1 A 30 30 VAL C C 30 178.100 177.662 0.438 2
1 394 . 1 1 A 30 30 VAL CA C 30 66.610 66.041 0.569 2
1 395 . 1 1 A 30 30 VAL CB C 30 32.040 31.477 0.563 2
1 398 . 1 1 A 30 30 VAL N N 30 121.029 119.245 1.784 2
1 399 . 1 1 A 31 31 TYR H H 31 7.998 8.036 -0.038 2
1 400 . 1 1 A 31 31 TYR HA H 31 4.029 4.083 -0.054 2
1 407 . 1 1 A 31 31 TYR C C 31 179.000 177.877 1.123 2
1 408 . 1 1 A 31 31 TYR CA C 31 62.830 61.877 0.953 2
1 409 . 1 1 A 31 31 TYR CB C 31 39.040 38.549 0.491 2
1 414 . 1 1 A 31 31 TYR N N 31 121.235 120.908 0.327 2
1 415 . 1 1 A 32 32 CYS H H 32 8.833 8.630 0.203 2
1 416 . 1 1 A 32 32 CYS HA H 32 3.889 4.195 -0.306 2
1 419 . 1 1 A 32 32 CYS C C 32 176.800 176.604 0.196 2
1 420 . 1 1 A 32 32 CYS CA C 32 65.290 61.876 3.414 2
1 421 . 1 1 A 32 32 CYS CB C 32 26.040 26.976 -0.936 2
1 422 . 1 1 A 32 32 CYS N N 32 118.092 117.050 1.042 2
1 423 . 1 1 A 33 33 ALA H H 33 8.238 7.762 0.476 2
1 424 . 1 1 A 33 33 ALA HA H 33 4.215 4.116 0.099 2
1 428 . 1 1 A 33 33 ALA C C 33 180.900 179.519 1.381 2
1 429 . 1 1 A 33 33 ALA CA C 33 54.880 54.684 0.197 2
1 430 . 1 1 A 33 33 ALA CB C 33 18.010 18.475 -0.465 2
1 431 . 1 1 A 33 33 ALA N N 33 122.005 122.417 -0.412 2
1 432 . 1 1 A 34 34 LYS H H 34 7.883 8.015 -0.132 2
1 433 . 1 1 A 34 34 LYS HA H 34 4.044 4.011 0.033 2
1 442 . 1 1 A 34 34 LYS C C 34 177.100 178.145 -1.045 2
1 443 . 1 1 A 34 34 LYS CA C 34 58.490 59.212 -0.722 2
1 444 . 1 1 A 34 34 LYS CB C 34 32.900 32.469 0.431 2
1 448 . 1 1 A 34 34 LYS N N 34 117.252 118.215 -0.963 2
1 449 . 1 1 A 35 35 ASN H H 35 7.122 7.865 -0.743 2
1 450 . 1 1 A 35 35 ASN HA H 35 4.698 4.730 -0.032 2
1 455 . 1 1 A 35 35 ASN C C 35 172.600 174.355 -1.755 2
1 456 . 1 1 A 35 35 ASN CA C 35 53.490 52.605 0.884 2
1 457 . 1 1 A 35 35 ASN CB C 35 39.930 38.336 1.594 2
1 459 . 1 1 A 35 35 ASN N N 35 113.516 114.459 -0.943 2
1 461 . 1 1 A 36 36 ASN H H 36 7.650 7.985 -0.335 2
1 462 . 1 1 A 36 36 ASN HA H 36 4.364 4.394 -0.030 2
1 467 . 1 1 A 36 36 ASN C C 36 173.600 174.478 -0.878 2
1 468 . 1 1 A 36 36 ASN CA C 36 54.490 54.330 0.160 2
1 469 . 1 1 A 36 36 ASN CB C 36 37.050 37.435 -0.386 2
1 471 . 1 1 A 36 36 ASN N N 36 116.989 115.130 1.859 2
1 473 . 1 1 A 37 37 LEU H H 37 8.356 7.886 0.470 2
1 474 . 1 1 A 37 37 LEU HA H 37 4.741 4.312 0.429 2
1 484 . 1 1 A 37 37 LEU C C 37 177.100 176.603 0.497 2
1 485 . 1 1 A 37 37 LEU CA C 37 53.380 54.744 -1.364 2
1 486 . 1 1 A 37 37 LEU CB C 37 46.170 42.359 3.811 2
1 490 . 1 1 A 37 37 LEU N N 37 118.046 119.146 -1.100 2
1 491 . 1 1 A 38 38 GLN H H 38 8.649 8.822 -0.173 2
1 492 . 1 1 A 38 38 GLN HA H 38 4.436 4.374 0.062 2
1 499 . 1 1 A 38 38 GLN C C 38 177.400 177.077 0.324 2
1 500 . 1 1 A 38 38 GLN CA C 38 54.870 55.565 -0.695 2
1 501 . 1 1 A 38 38 GLN CB C 38 29.490 29.546 -0.056 2
1 504 . 1 1 A 38 38 GLN N N 38 120.404 120.573 -0.169 2
1 506 . 1 1 A 39 39 LEU H H 39 8.862 8.684 0.178 2
1 507 . 1 1 A 39 39 LEU HA H 39 4.288 4.195 0.093 2
1 517 . 1 1 A 39 39 LEU C C 39 178.800 178.649 0.151 2
1 518 . 1 1 A 39 39 LEU CA C 39 59.270 58.439 0.831 2
1 519 . 1 1 A 39 39 LEU CB C 39 42.190 42.099 0.091 2
1 523 . 1 1 A 39 39 LEU N N 39 126.026 126.462 -0.436 2
1 524 . 1 1 A 40 40 THR H H 40 8.408 8.227 0.181 2
1 525 . 1 1 A 40 40 THR HA H 40 3.819 3.850 -0.031 2
1 530 . 1 1 A 40 40 THR C C 40 175.700 176.356 -0.656 2
1 531 . 1 1 A 40 40 THR CA C 40 66.760 67.153 -0.392 2
1 532 . 1 1 A 40 40 THR CB C 40 68.620 68.585 0.035 2
1 534 . 1 1 A 40 40 THR N N 40 110.087 114.002 -3.915 2
1 535 . 1 1 A 41 41 GLN H H 41 6.817 8.378 -1.561 2
1 536 . 1 1 A 41 41 GLN HA H 41 4.192 3.935 0.257 2
1 543 . 1 1 A 41 41 GLN C C 41 178.000 178.021 -0.021 2
1 544 . 1 1 A 41 41 GLN CA C 41 58.650 58.701 -0.051 2
1 545 . 1 1 A 41 41 GLN CB C 41 28.850 28.256 0.594 2
1 547 . 1 1 A 41 41 GLN N N 41 119.955 121.140 -1.185 2
1 549 . 1 1 A 42 42 ALA H H 42 7.755 7.933 -0.178 2
1 550 . 1 1 A 42 42 ALA HA H 42 4.002 4.136 -0.134 2
1 554 . 1 1 A 42 42 ALA C C 42 178.300 179.639 -1.339 2
1 555 . 1 1 A 42 42 ALA CA C 42 55.190 54.888 0.302 2
1 556 . 1 1 A 42 42 ALA CB C 42 19.570 18.433 1.137 2
1 557 . 1 1 A 42 42 ALA N N 42 121.978 121.959 0.019 2
1 558 . 1 1 A 43 43 ILE H H 43 8.118 8.163 -0.045 2
1 559 . 1 1 A 43 43 ILE HA H 43 3.184 3.528 -0.344 2
1 569 . 1 1 A 43 43 ILE C C 43 177.300 177.789 -0.489 2
1 570 . 1 1 A 43 43 ILE CA C 43 65.600 65.398 0.202 2
1 571 . 1 1 A 43 43 ILE CB C 43 37.550 37.763 -0.213 2
1 574 . 1 1 A 43 43 ILE N N 43 115.574 118.648 -3.074 2
1 575 . 1 1 A 44 44 GLU H H 44 7.990 8.544 -0.554 2
1 576 . 1 1 A 44 44 GLU HA H 44 3.678 3.906 -0.228 2
1 581 . 1 1 A 44 44 GLU C C 44 178.400 179.636 -1.235 2
1 582 . 1 1 A 44 44 GLU CA C 44 61.090 59.979 1.111 2
1 583 . 1 1 A 44 44 GLU CB C 44 29.630 29.506 0.124 2
1 585 . 1 1 A 44 44 GLU N N 44 118.630 119.017 -0.387 2
1 586 . 1 1 A 45 45 GLU H H 45 8.110 8.320 -0.210 2
1 587 . 1 1 A 45 45 GLU HA H 45 3.939 4.012 -0.073 2
1 592 . 1 1 A 45 45 GLU C C 45 178.600 179.076 -0.476 2
1 593 . 1 1 A 45 45 GLU CA C 45 59.650 59.250 0.400 2
1 594 . 1 1 A 45 45 GLU CB C 45 29.730 29.421 0.309 2
1 596 . 1 1 A 45 45 GLU N N 45 118.927 120.645 -1.718 2
1 597 . 1 1 A 46 46 ALA H H 46 8.363 8.337 0.026 2
1 598 . 1 1 A 46 46 ALA HA H 46 3.859 4.061 -0.202 2
1 602 . 1 1 A 46 46 ALA C C 46 181.500 179.567 1.933 2
1 603 . 1 1 A 46 46 ALA CA C 46 55.080 55.141 -0.061 2
1 604 . 1 1 A 46 46 ALA CB C 46 17.090 18.693 -1.603 2
1 605 . 1 1 A 46 46 ALA N N 46 120.991 122.066 -1.075 2
1 606 . 1 1 A 47 47 ILE H H 47 8.496 8.600 -0.103 2
1 607 . 1 1 A 47 47 ILE HA H 47 3.447 3.968 -0.521 2
1 617 . 1 1 A 47 47 ILE C C 47 177.000 177.623 -0.623 2
1 618 . 1 1 A 47 47 ILE CA C 47 65.110 62.701 2.409 2
1 619 . 1 1 A 47 47 ILE CB C 47 37.522 37.550 -0.028 2
1 623 . 1 1 A 47 47 ILE N N 47 120.499 118.203 2.296 2
1 624 . 1 1 A 48 48 LYS H H 48 8.546 8.139 0.407 2
1 625 . 1 1 A 48 48 LYS HA H 48 3.763 4.038 -0.275 2
1 634 . 1 1 A 48 48 LYS C C 48 179.400 179.769 -0.369 2
1 635 . 1 1 A 48 48 LYS CA C 48 61.430 59.686 1.744 2
1 636 . 1 1 A 48 48 LYS CB C 48 32.340 32.077 0.263 2
1 640 . 1 1 A 48 48 LYS N N 48 121.030 121.692 -0.662 2
1 641 . 1 1 A 49 49 GLU H H 49 8.518 8.384 0.134 2
1 642 . 1 1 A 49 49 GLU HA H 49 3.979 4.117 -0.139 2
1 647 . 1 1 A 49 49 GLU C C 49 178.400 178.650 -0.250 2
1 648 . 1 1 A 49 49 GLU CA C 49 60.230 58.895 1.335 2
1 649 . 1 1 A 49 49 GLU CB C 49 29.960 29.356 0.604 2
1 651 . 1 1 A 49 49 GLU N N 49 118.574 118.343 0.231 2
1 652 . 1 1 A 50 50 TYR H H 50 7.980 8.031 -0.051 2
1 653 . 1 1 A 50 50 TYR HA H 50 4.160 4.215 -0.055 2
1 660 . 1 1 A 50 50 TYR C C 50 178.000 177.158 0.842 2
1 661 . 1 1 A 50 50 TYR CA C 50 60.670 61.420 -0.750 2
1 662 . 1 1 A 50 50 TYR CB C 50 39.550 38.452 1.098 2
1 667 . 1 1 A 50 50 TYR N N 50 121.810 123.344 -1.534 2
1 668 . 1 1 A 51 51 LEU H H 51 8.342 8.317 0.025 2
1 669 . 1 1 A 51 51 LEU HA H 51 3.464 3.696 -0.232 2
1 679 . 1 1 A 51 51 LEU C C 51 179.600 179.352 0.248 2
1 680 . 1 1 A 51 51 LEU CA C 51 57.140 57.753 -0.613 2
1 681 . 1 1 A 51 51 LEU CB C 51 41.780 41.297 0.484 2
1 685 . 1 1 A 51 51 LEU N N 51 117.934 119.677 -1.743 2
1 686 . 1 1 A 52 52 GLN H H 52 8.397 7.806 0.591 2
1 687 . 1 1 A 52 52 GLN HA H 52 4.052 3.989 0.063 2
1 694 . 1 1 A 52 52 GLN C C 52 179.500 178.933 0.567 2
1 695 . 1 1 A 52 52 GLN CA C 52 59.140 58.853 0.287 2
1 696 . 1 1 A 52 52 GLN CB C 52 28.230 28.191 0.039 2
1 699 . 1 1 A 52 52 GLN N N 52 120.458 118.393 2.065 2
1 701 . 1 1 A 53 53 LYS H H 53 7.534 7.826 -0.292 2
1 702 . 1 1 A 53 53 LYS HA H 53 4.038 4.040 -0.002 2
1 711 . 1 1 A 53 53 LYS C C 53 176.900 178.239 -1.339 2
1 712 . 1 1 A 53 53 LYS CA C 53 58.330 58.650 -0.320 2
1 713 . 1 1 A 53 53 LYS CB C 53 32.720 31.927 0.793 2
1 717 . 1 1 A 53 53 LYS N N 53 118.094 120.990 -2.896 2
1 718 . 1 1 A 54 54 ARG H H 54 6.789 7.660 -0.871 2
1 719 . 1 1 A 54 54 ARG HA H 54 4.155 4.232 -0.077 2
1 727 . 1 1 A 54 54 ARG C C 54 174.500 176.551 -2.051 2
1 728 . 1 1 A 54 54 ARG CA C 54 55.560 57.548 -1.988 2
1 729 . 1 1 A 54 54 ARG CB C 54 29.660 31.864 -2.204 2
1 732 . 1 1 A 54 54 ARG N N 54 116.828 118.337 -1.509 2
1 734 . 1 1 A 55 55 ASN H H 55 7.651 7.955 -0.304 2
1 735 . 1 1 A 55 55 ASN HA H 55 4.456 4.730 -0.274 2
1 740 . 1 1 A 55 55 ASN C C 55 174.100 176.471 -2.372 2
1 741 . 1 1 A 55 55 ASN CA C 55 54.760 53.766 0.994 2
1 742 . 1 1 A 55 55 ASN CB C 55 37.370 39.766 -2.396 2
1 744 . 1 1 A 55 55 ASN N N 55 115.626 113.926 1.700 2
stop_
save_