data_16344_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16344
_Entry.PDB_ID 2KJV
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 2 . 1 1 1 A 2 2 ARG H H 2 8.836 8.538 0.298 1
1 3 . 1 1 1 A 2 2 ARG HA H 2 4.715 4.671 0.044 1
1 5 . 1 1 1 A 2 2 ARG N N 2 122.718 125.404 -2.686 1
1 6 . 1 1 1 A 3 3 ARG H H 3 8.145 8.267 -0.122 1
1 7 . 1 1 1 A 3 3 ARG HA H 3 5.354 5.697 -0.343 1
1 11 . 1 1 1 A 3 3 ARG N N 3 121.051 118.949 2.102 1
1 12 . 1 1 1 A 4 4 TYR H H 4 9.186 9.163 0.023 1
1 13 . 1 1 1 A 4 4 TYR HA H 4 5.061 5.100 -0.039 1
1 20 . 1 1 1 A 4 4 TYR N N 4 122.362 119.677 2.685 1
1 21 . 1 1 1 A 5 5 GLU H H 5 9.357 8.320 1.037 1
1 22 . 1 1 1 A 5 5 GLU HA H 5 5.006 4.764 0.242 1
1 27 . 1 1 1 A 5 5 GLU N N 5 119.338 120.786 -1.448 1
1 28 . 1 1 1 A 6 6 VAL H H 6 9.387 8.586 0.801 1
1 29 . 1 1 1 A 6 6 VAL HA H 6 4.481 4.542 -0.061 1
1 37 . 1 1 1 A 6 6 VAL N N 6 124.463 124.490 -0.027 1
1 38 . 1 1 1 A 7 7 ASN H H 7 9.059 8.687 0.372 1
1 39 . 1 1 1 A 7 7 ASN HA H 7 5.550 5.741 -0.191 1
1 44 . 1 1 1 A 7 7 ASN N N 7 125.802 126.701 -0.899 1
1 46 . 1 1 1 A 8 8 ILE H H 8 9.108 9.194 -0.086 1
1 47 . 1 1 1 A 8 8 ILE HA H 8 4.851 4.984 -0.133 1
1 57 . 1 1 1 A 8 8 ILE N N 8 125.010 126.527 -1.517 1
1 58 . 1 1 1 A 9 9 VAL H H 9 8.669 9.231 -0.562 1
1 59 . 1 1 1 A 9 9 VAL HA H 9 4.518 5.195 -0.677 1
1 67 . 1 1 1 A 9 9 VAL N N 9 125.755 128.556 -2.801 1
1 68 . 1 1 1 A 10 10 LEU H H 10 9.855 9.042 0.813 1
1 69 . 1 1 1 A 10 10 LEU HA H 10 5.341 5.104 0.237 1
1 79 . 1 1 1 A 10 10 LEU N N 10 127.024 129.672 -2.648 1
1 80 . 1 1 1 A 11 11 ASN H H 11 8.316 8.657 -0.341 1
1 85 . 1 1 1 A 11 11 ASN N N 11 118.911 119.357 -0.446 1
1 87 . 1 1 1 A 12 12 PRO HA H 12 4.471 4.628 -0.157 1
1 90 . 1 1 1 A 13 13 ASN H H 13 8.316 8.312 0.004 1
1 91 . 1 1 1 A 13 13 ASN HA H 13 4.813 4.933 -0.120 1
1 96 . 1 1 1 A 13 13 ASN N N 13 118.703 119.161 -0.458 1
1 98 . 1 1 1 A 14 14 LEU H H 14 7.181 7.336 -0.155 1
1 99 . 1 1 1 A 14 14 LEU HA H 14 4.382 4.146 0.236 1
1 109 . 1 1 1 A 14 14 LEU N N 14 118.890 122.433 -3.543 1
1 110 . 1 1 1 A 15 15 ASP H H 15 8.671 8.649 0.022 1
1 111 . 1 1 1 A 15 15 ASP HA H 15 4.704 4.859 -0.155 1
1 114 . 1 1 1 A 15 15 ASP N N 15 122.145 121.169 0.976 1
1 115 . 1 1 1 A 16 16 GLN H H 16 8.549 8.666 -0.117 1
1 116 . 1 1 1 A 16 16 GLN HA H 16 3.939 3.960 -0.021 1
1 123 . 1 1 1 A 16 16 GLN N N 16 116.429 118.069 -1.640 1
1 125 . 1 1 1 A 17 17 SER H H 17 8.352 8.213 0.139 1
1 126 . 1 1 1 A 17 17 SER HA H 17 4.316 4.158 0.158 1
1 129 . 1 1 1 A 17 17 SER N N 17 117.102 116.706 0.396 1
1 130 . 1 1 1 A 18 18 GLN H H 18 8.683 8.969 -0.286 1
1 131 . 1 1 1 A 18 18 GLN HA H 18 4.065 4.084 -0.019 1
1 138 . 1 1 1 A 18 18 GLN N N 18 124.500 121.036 3.464 1
1 140 . 1 1 1 A 19 19 LEU H H 19 8.792 8.142 0.650 1
1 141 . 1 1 1 A 19 19 LEU HA H 19 3.793 4.079 -0.286 1
1 148 . 1 1 1 A 19 19 LEU N N 19 121.821 122.318 -0.497 1
1 149 . 1 1 1 A 20 20 ALA H H 20 7.823 7.981 -0.158 1
1 150 . 1 1 1 A 20 20 ALA HA H 20 4.014 4.019 -0.005 1
1 154 . 1 1 1 A 20 20 ALA N N 20 120.183 120.580 -0.397 1
1 155 . 1 1 1 A 21 21 LEU H H 21 7.569 7.531 0.038 1
1 156 . 1 1 1 A 21 21 LEU HA H 21 4.255 3.901 0.354 1
1 166 . 1 1 1 A 21 21 LEU N N 21 119.682 116.826 2.856 1
1 167 . 1 1 1 A 22 22 GLU H H 22 8.076 7.742 0.334 1
1 168 . 1 1 1 A 22 22 GLU HA H 22 4.146 3.892 0.254 1
1 173 . 1 1 1 A 22 22 GLU N N 22 117.135 119.037 -1.902 1
1 174 . 1 1 1 A 23 23 LYS H H 23 8.400 7.371 1.029 1
1 175 . 1 1 1 A 23 23 LYS HA H 23 3.940 4.056 -0.116 1
1 182 . 1 1 1 A 23 23 LYS N N 23 117.328 119.782 -2.454 1
1 183 . 1 1 1 A 24 24 GLU H H 24 8.002 7.526 0.476 1
1 184 . 1 1 1 A 24 24 GLU HA H 24 4.134 4.096 0.038 1
1 189 . 1 1 1 A 24 24 GLU N N 24 121.932 119.275 2.657 1
1 190 . 1 1 1 A 25 25 ILE H H 25 8.124 8.098 0.026 1
1 191 . 1 1 1 A 25 25 ILE HA H 25 3.628 3.716 -0.088 1
1 201 . 1 1 1 A 25 25 ILE N N 25 121.791 120.637 1.154 1
1 202 . 1 1 1 A 26 26 ILE H H 26 8.311 9.246 -0.935 1
1 203 . 1 1 1 A 26 26 ILE HA H 26 3.421 3.747 -0.326 1
1 211 . 1 1 1 A 26 26 ILE N N 26 122.094 120.710 1.384 1
1 212 . 1 1 1 A 27 27 GLN H H 27 8.169 7.779 0.390 1
1 213 . 1 1 1 A 27 27 GLN HA H 27 3.769 3.894 -0.125 1
1 220 . 1 1 1 A 27 27 GLN N N 27 118.606 121.908 -3.302 1
1 222 . 1 1 1 A 28 28 ARG H H 28 8.146 7.992 0.154 1
1 223 . 1 1 1 A 28 28 ARG HA H 28 4.125 3.999 0.126 1
1 230 . 1 1 1 A 28 28 ARG N N 28 118.685 118.931 -0.246 1
1 231 . 1 1 1 A 29 29 ALA H H 29 8.176 8.103 0.073 1
1 232 . 1 1 1 A 29 29 ALA HA H 29 4.318 4.140 0.178 1
1 236 . 1 1 1 A 29 29 ALA N N 29 123.579 122.077 1.502 1
1 237 . 1 1 1 A 30 30 LEU H H 30 8.415 7.818 0.597 1
1 238 . 1 1 1 A 30 30 LEU HA H 30 3.774 3.889 -0.115 1
1 248 . 1 1 1 A 30 30 LEU N N 30 116.873 119.233 -2.360 1
1 249 . 1 1 1 A 31 31 GLU H H 31 7.865 8.116 -0.251 1
1 250 . 1 1 1 A 31 31 GLU HA H 31 4.172 4.009 0.163 1
1 255 . 1 1 1 A 31 31 GLU N N 31 117.422 118.023 -0.601 1
1 256 . 1 1 1 A 32 32 ASN H H 32 8.715 8.292 0.423 1
1 257 . 1 1 1 A 32 32 ASN HA H 32 4.434 4.444 -0.010 1
1 262 . 1 1 1 A 32 32 ASN N N 32 120.768 118.408 2.360 1
1 264 . 1 1 1 A 33 33 TYR H H 33 7.882 7.758 0.124 1
1 265 . 1 1 1 A 33 33 TYR HA H 33 4.321 4.517 -0.196 1
1 272 . 1 1 1 A 33 33 TYR N N 33 117.207 117.981 -0.774 1
1 273 . 1 1 1 A 34 34 GLY H H 34 7.668 8.754 -1.086 1
1 274 . 1 1 1 A 34 34 GLY HA2 H 34 3.796 3.936 -0.140 1
1 275 . 1 1 1 A 34 34 GLY HA3 H 34 4.037 3.957 0.080 1
1 276 . 1 1 1 A 34 34 GLY N N 34 104.268 108.360 -4.092 1
1 277 . 1 1 1 A 35 35 ALA H H 35 8.373 7.457 0.916 1
1 278 . 1 1 1 A 35 35 ALA HA H 35 4.955 4.768 0.187 1
1 282 . 1 1 1 A 35 35 ALA N N 35 120.534 122.448 -1.914 1
1 283 . 1 1 1 A 36 36 ARG H H 36 9.073 8.586 0.487 1
1 284 . 1 1 1 A 36 36 ARG HA H 36 4.582 4.820 -0.238 1
1 289 . 1 1 1 A 36 36 ARG N N 36 123.245 120.286 2.959 1
1 290 . 1 1 1 A 37 37 VAL H H 37 9.105 8.623 0.482 1
1 291 . 1 1 1 A 37 37 VAL HA H 37 4.011 4.384 -0.373 1
1 299 . 1 1 1 A 37 37 VAL N N 37 126.869 124.454 2.415 1
1 300 . 1 1 1 A 38 38 GLU H H 38 9.217 9.746 -0.529 1
1 301 . 1 1 1 A 38 38 GLU HA H 38 4.395 4.423 -0.028 1
1 306 . 1 1 1 A 38 38 GLU N N 38 129.074 129.811 -0.737 1
1 307 . 1 1 1 A 39 39 LYS H H 39 7.822 7.660 0.162 1
1 308 . 1 1 1 A 39 39 LYS HA H 39 4.672 4.951 -0.279 1
1 315 . 1 1 1 A 39 39 LYS N N 39 116.882 116.889 -0.007 1
1 316 . 1 1 1 A 40 40 VAL H H 40 8.412 8.814 -0.402 1
1 317 . 1 1 1 A 40 40 VAL HA H 40 4.892 5.025 -0.133 1
1 325 . 1 1 1 A 40 40 VAL N N 40 121.731 122.316 -0.585 1
1 326 . 1 1 1 A 41 41 GLU H H 41 9.523 9.201 0.322 1
1 327 . 1 1 1 A 41 41 GLU HA H 41 4.688 5.040 -0.352 1
1 332 . 1 1 1 A 41 41 GLU N N 41 126.064 128.396 -2.332 1
1 333 . 1 1 1 A 42 42 GLU H H 42 9.049 8.611 0.438 1
1 334 . 1 1 1 A 42 42 GLU HA H 42 4.658 4.865 -0.207 1
1 339 . 1 1 1 A 42 42 GLU N N 42 126.962 123.442 3.520 1
1 340 . 1 1 1 A 43 43 LEU H H 43 7.887 8.807 -0.920 1
1 341 . 1 1 1 A 43 43 LEU HA H 43 4.252 4.094 0.158 1
1 351 . 1 1 1 A 43 43 LEU N N 43 126.929 124.549 2.380 1
1 352 . 1 1 1 A 44 44 GLY H H 44 7.839 7.794 0.045 1
1 353 . 1 1 1 A 44 44 GLY HA2 H 44 2.380 3.707 -1.327 1
1 354 . 1 1 1 A 44 44 GLY HA3 H 44 3.940 3.812 0.128 1
1 355 . 1 1 1 A 44 44 GLY N N 44 105.145 107.438 -2.293 1
1 356 . 1 1 1 A 45 45 LEU H H 45 8.579 7.592 0.987 1
1 357 . 1 1 1 A 45 45 LEU HA H 45 4.906 4.190 0.716 1
1 367 . 1 1 1 A 45 45 LEU N N 45 122.487 119.968 2.519 1
1 368 . 1 1 1 A 46 46 ARG H H 46 8.899 8.657 0.242 1
1 369 . 1 1 1 A 46 46 ARG HA H 46 4.584 4.776 -0.192 1
1 374 . 1 1 1 A 46 46 ARG N N 46 123.175 121.481 1.694 1
1 375 . 1 1 1 A 47 47 ARG H H 47 8.330 8.474 -0.144 1
1 376 . 1 1 1 A 47 47 ARG HA H 47 4.429 4.366 0.063 1
1 381 . 1 1 1 A 47 47 ARG N N 47 120.447 124.303 -3.856 1
1 382 . 1 1 1 A 48 48 LEU H H 48 8.348 8.436 -0.088 1
1 383 . 1 1 1 A 48 48 LEU HA H 48 4.458 4.362 0.096 1
1 393 . 1 1 1 A 48 48 LEU N N 48 124.979 124.370 0.609 1
1 394 . 1 1 1 A 49 49 ALA H H 49 7.975 8.772 -0.797 1
1 395 . 1 1 1 A 49 49 ALA HA H 49 4.176 4.610 -0.434 1
1 399 . 1 1 1 A 49 49 ALA N N 49 130.824 124.802 6.022 1
1 400 . 1 1 1 A 50 50 TYR H H 50 8.587 8.844 -0.257 1
1 401 . 1 1 1 A 50 50 TYR HA H 50 4.656 4.258 0.398 1
1 404 . 1 1 1 A 50 50 TYR N N 50 122.514 117.523 4.991 1
1 405 . 1 1 1 A 51 51 PRO HA H 51 4.554 4.673 -0.119 1
1 406 . 1 1 1 A 52 52 ILE H H 52 8.262 8.614 -0.352 1
1 407 . 1 1 1 A 52 52 ILE HA H 52 4.182 4.819 -0.637 1
1 414 . 1 1 1 A 52 52 ILE N N 52 121.932 122.371 -0.439 1
1 415 . 1 1 1 A 53 53 ALA H H 53 8.420 8.728 -0.308 1
1 416 . 1 1 1 A 53 53 ALA HA H 53 4.359 4.464 -0.105 1
1 420 . 1 1 1 A 53 53 ALA N N 53 128.607 127.872 0.735 1
1 421 . 1 1 1 A 54 54 LYS H H 54 8.338 7.659 0.679 1
1 422 . 1 1 1 A 54 54 LYS HA H 54 4.320 4.411 -0.091 1
1 427 . 1 1 1 A 54 54 LYS N N 54 120.865 117.396 3.469 1
1 428 . 1 1 1 A 55 55 ASP H H 55 8.242 8.641 -0.399 1
1 431 . 1 1 1 A 55 55 ASP N N 55 121.940 120.303 1.637 1
1 432 . 1 1 1 A 56 56 PRO HA H 56 4.541 4.499 0.042 1
1 433 . 1 1 1 A 57 57 GLN H H 57 8.346 8.395 -0.049 1
1 434 . 1 1 1 A 57 57 GLN HA H 57 5.113 4.416 0.697 1
1 441 . 1 1 1 A 57 57 GLN N N 57 119.306 119.428 -0.122 1
1 443 . 1 1 1 A 58 58 GLY H H 58 8.724 8.309 0.415 1
1 444 . 1 1 1 A 58 58 GLY HA2 H 58 3.594 4.213 -0.619 1
1 445 . 1 1 1 A 58 58 GLY HA3 H 58 4.313 4.226 0.087 1
1 446 . 1 1 1 A 58 58 GLY N N 58 103.688 107.516 -3.828 1
1 447 . 1 1 1 A 59 59 TYR H H 59 8.941 8.571 0.370 1
1 448 . 1 1 1 A 59 59 TYR HA H 59 4.741 5.331 -0.590 1
1 453 . 1 1 1 A 59 59 TYR N N 59 123.537 122.045 1.492 1
1 454 . 1 1 1 A 60 60 PHE H H 60 9.215 8.987 0.228 1
1 455 . 1 1 1 A 60 60 PHE HA H 60 5.054 5.399 -0.345 1
1 460 . 1 1 1 A 60 60 PHE N N 60 130.526 130.886 -0.360 1
1 461 . 1 1 1 A 61 61 LEU H H 61 9.388 9.171 0.217 1
1 462 . 1 1 1 A 61 61 LEU HA H 61 5.047 4.815 0.232 1
1 472 . 1 1 1 A 61 61 LEU N N 61 123.595 123.271 0.324 1
1 473 . 1 1 1 A 62 62 TRP H H 62 8.752 8.128 0.624 1
1 474 . 1 1 1 A 62 62 TRP HA H 62 5.554 5.109 0.445 1
1 481 . 1 1 1 A 62 62 TRP N N 62 125.081 123.365 1.716 1
1 483 . 1 1 1 A 63 63 TYR H H 63 8.592 8.643 -0.051 1
1 484 . 1 1 1 A 63 63 TYR HA H 63 4.972 5.154 -0.182 1
1 491 . 1 1 1 A 63 63 TYR N N 63 123.346 126.833 -3.487 1
1 492 . 1 1 1 A 64 64 GLN H H 64 8.604 8.386 0.218 1
1 493 . 1 1 1 A 64 64 GLN HA H 64 4.866 4.496 0.370 1
1 500 . 1 1 1 A 64 64 GLN N N 64 123.079 121.346 1.733 1
1 502 . 1 1 1 A 65 65 VAL H H 65 9.204 8.928 0.276 1
1 503 . 1 1 1 A 65 65 VAL HA H 65 5.672 5.573 0.099 1
1 511 . 1 1 1 A 65 65 VAL N N 65 119.156 117.974 1.182 1
1 512 . 1 1 1 A 66 66 GLU H H 66 8.635 8.756 -0.121 1
1 513 . 1 1 1 A 66 66 GLU HA H 66 5.333 4.994 0.339 1
1 518 . 1 1 1 A 66 66 GLU N N 66 121.502 121.996 -0.494 1
1 519 . 1 1 1 A 67 67 MET H H 67 9.480 8.574 0.906 1
1 520 . 1 1 1 A 67 67 MET N N 67 122.258 121.405 0.853 1
1 521 . 1 1 1 A 68 68 PRO HA H 68 4.562 4.648 -0.086 1
1 522 . 1 1 1 A 69 69 GLU H H 69 10.059 8.632 1.427 1
1 523 . 1 1 1 A 69 69 GLU HA H 69 4.442 3.690 0.752 1
1 528 . 1 1 1 A 69 69 GLU N N 69 126.845 121.917 4.928 1
1 529 . 1 1 1 A 70 70 ASP H H 70 8.763 8.354 0.409 1
1 530 . 1 1 1 A 70 70 ASP HA H 70 4.568 4.366 0.202 1
1 533 . 1 1 1 A 70 70 ASP N N 70 115.710 119.556 -3.846 1
1 534 . 1 1 1 A 71 71 ARG H H 71 7.679 7.688 -0.009 1
1 535 . 1 1 1 A 71 71 ARG HA H 71 4.853 4.146 0.707 1
1 536 . 1 1 1 A 71 71 ARG N N 71 116.513 118.408 -1.895 1
1 537 . 1 1 1 A 72 72 VAL H H 72 6.949 7.721 -0.772 1
1 538 . 1 1 1 A 72 72 VAL HA H 72 3.287 3.688 -0.401 1
1 546 . 1 1 1 A 72 72 VAL N N 72 119.962 120.046 -0.084 1
1 547 . 1 1 1 A 73 73 ASN H H 73 8.292 8.260 0.032 1
1 548 . 1 1 1 A 73 73 ASN HA H 73 4.378 4.399 -0.021 1
1 553 . 1 1 1 A 73 73 ASN N N 73 117.910 119.449 -1.539 1
1 555 . 1 1 1 A 74 74 ASP H H 74 7.985 8.206 -0.221 1
1 556 . 1 1 1 A 74 74 ASP HA H 74 4.325 4.300 0.025 1
1 559 . 1 1 1 A 74 74 ASP N N 74 121.962 119.903 2.059 1
1 560 . 1 1 1 A 75 75 LEU H H 75 7.519 7.925 -0.406 1
1 561 . 1 1 1 A 75 75 LEU HA H 75 3.060 4.104 -1.044 1
1 570 . 1 1 1 A 75 75 LEU N N 75 122.206 119.597 2.609 1
1 571 . 1 1 1 A 76 76 ALA H H 76 7.936 8.440 -0.504 1
1 572 . 1 1 1 A 76 76 ALA HA H 76 3.582 4.148 -0.566 1
1 576 . 1 1 1 A 76 76 ALA N N 76 119.529 122.287 -2.758 1
1 577 . 1 1 1 A 77 77 ARG H H 77 7.619 8.207 -0.588 1
1 578 . 1 1 1 A 77 77 ARG HA H 77 3.852 4.157 -0.305 1
1 585 . 1 1 1 A 77 77 ARG N N 77 115.626 117.711 -2.085 1
1 586 . 1 1 1 A 78 78 GLU H H 78 7.739 7.520 0.219 1
1 587 . 1 1 1 A 78 78 GLU HA H 78 4.000 4.095 -0.095 1
1 592 . 1 1 1 A 78 78 GLU N N 78 119.427 120.362 -0.935 1
1 593 . 1 1 1 A 79 79 LEU H H 79 8.183 8.046 0.137 1
1 594 . 1 1 1 A 79 79 LEU HA H 79 4.033 3.945 0.088 1
1 603 . 1 1 1 A 79 79 LEU N N 79 117.433 120.847 -3.414 1
1 604 . 1 1 1 A 80 80 ARG H H 80 7.546 7.852 -0.306 1
1 605 . 1 1 1 A 80 80 ARG HA H 80 3.960 4.060 -0.100 1
1 610 . 1 1 1 A 80 80 ARG N N 80 113.295 118.979 -5.684 1
1 611 . 1 1 1 A 81 81 ILE H H 81 7.280 7.255 0.025 1
1 612 . 1 1 1 A 81 81 ILE HA H 81 3.987 4.127 -0.140 1
1 622 . 1 1 1 A 81 81 ILE N N 81 115.559 117.611 -2.052 1
1 623 . 1 1 1 A 82 82 ARG H H 82 6.846 7.341 -0.495 1
1 624 . 1 1 1 A 82 82 ARG HA H 82 4.231 4.223 0.008 1
1 631 . 1 1 1 A 82 82 ARG N N 82 119.695 123.588 -3.893 1
1 632 . 1 1 1 A 83 83 ASP H H 83 8.502 8.835 -0.333 1
1 633 . 1 1 1 A 83 83 ASP HA H 83 4.346 4.331 0.015 1
1 636 . 1 1 1 A 83 83 ASP N N 83 123.697 124.680 -0.983 1
1 637 . 1 1 1 A 84 84 ASN H H 84 8.883 8.073 0.810 1
1 638 . 1 1 1 A 84 84 ASN HA H 84 4.822 4.744 0.078 1
1 643 . 1 1 1 A 84 84 ASN N N 84 112.236 115.553 -3.317 1
1 645 . 1 1 1 A 85 85 VAL H H 85 7.800 7.569 0.231 1
1 646 . 1 1 1 A 85 85 VAL HA H 85 4.048 4.057 -0.009 1
1 654 . 1 1 1 A 85 85 VAL N N 85 122.112 119.847 2.265 1
1 655 . 1 1 1 A 86 86 ARG H H 86 9.285 8.594 0.691 1
1 656 . 1 1 1 A 86 86 ARG HA H 86 4.432 4.411 0.021 1
1 657 . 1 1 1 A 86 86 ARG N N 86 126.445 128.554 -2.109 1
1 658 . 1 1 1 A 87 87 ARG H H 87 7.671 7.658 0.013 1
1 659 . 1 1 1 A 87 87 ARG HA H 87 4.556 4.986 -0.430 1
1 666 . 1 1 1 A 87 87 ARG N N 87 116.855 116.550 0.305 1
1 667 . 1 1 1 A 88 88 VAL H H 88 8.904 8.551 0.353 1
1 668 . 1 1 1 A 88 88 VAL HA H 88 4.834 4.912 -0.078 1
1 676 . 1 1 1 A 88 88 VAL N N 88 123.751 120.734 3.017 1
1 677 . 1 1 1 A 89 89 MET H H 89 9.119 8.665 0.454 1
1 678 . 1 1 1 A 89 89 MET HA H 89 4.869 5.250 -0.381 1
1 683 . 1 1 1 A 89 89 MET N N 89 127.251 126.719 0.532 1
1 684 . 1 1 1 A 90 90 VAL H H 90 9.007 8.960 0.047 1
1 685 . 1 1 1 A 90 90 VAL HA H 90 4.962 4.941 0.021 1
1 693 . 1 1 1 A 90 90 VAL N N 90 127.769 125.521 2.248 1
1 694 . 1 1 1 A 91 91 VAL H H 91 9.195 9.024 0.171 1
1 695 . 1 1 1 A 91 91 VAL HA H 91 4.660 4.976 -0.316 1
1 703 . 1 1 1 A 91 91 VAL N N 91 126.267 127.699 -1.432 1
1 704 . 1 1 1 A 92 92 LYS H H 92 8.914 8.329 0.585 1
1 705 . 1 1 1 A 92 92 LYS HA H 92 4.124 4.716 -0.592 1
1 712 . 1 1 1 A 92 92 LYS N N 92 126.996 126.518 0.478 1
1 713 . 1 1 1 A 93 93 SER H H 93 8.046 8.602 -0.556 1
1 714 . 1 1 1 A 93 93 SER HA H 93 4.396 4.913 -0.517 1
1 717 . 1 1 1 A 93 93 SER N N 93 120.732 119.582 1.150 1
1 718 . 1 1 1 A 94 94 GLN H H 94 8.806 8.706 0.100 1
1 719 . 1 1 1 A 94 94 GLN HA H 94 4.316 4.920 -0.604 1
1 726 . 1 1 1 A 94 94 GLN N N 94 124.100 124.384 -0.284 1
1 728 . 1 1 1 A 95 95 GLU H H 95 8.481 8.568 -0.087 1
1 729 . 1 1 1 A 95 95 GLU HA H 95 4.579 4.448 0.131 1
1 734 . 1 1 1 A 95 95 GLU N N 95 124.145 119.539 4.606 1
1 735 . 1 1 1 A 96 96 PRO HA H 96 4.408 4.824 -0.416 1
1 742 . 1 1 1 A 97 97 PHE H H 97 8.234 8.797 -0.563 1
1 743 . 1 1 1 A 97 97 PHE HA H 97 4.647 5.097 -0.450 1
1 748 . 1 1 1 A 97 97 PHE N N 97 120.145 122.994 -2.849 1
1 749 . 1 1 1 A 98 98 LEU H H 98 8.115 8.232 -0.117 1
1 750 . 1 1 1 A 98 98 LEU HA H 98 4.368 4.756 -0.388 1
1 759 . 1 1 1 A 98 98 LEU N N 98 125.838 123.544 2.294 1
1 760 . 1 1 1 A 99 99 ALA H H 99 7.765 8.635 -0.870 1
1 761 . 1 1 1 A 99 99 ALA HA H 99 4.074 4.560 -0.486 1
1 2 . 2 1 1 A 2 2 ARG H H 2 8.836 7.745 1.091 1
1 3 . 2 1 1 A 2 2 ARG HA H 2 4.715 4.891 -0.176 1
1 5 . 2 1 1 A 2 2 ARG N N 2 122.718 120.145 2.573 1
1 6 . 2 1 1 A 3 3 ARG H H 3 8.145 8.392 -0.247 1
1 7 . 2 1 1 A 3 3 ARG HA H 3 5.354 5.501 -0.147 1
1 11 . 2 1 1 A 3 3 ARG N N 3 121.051 121.475 -0.424 1
1 12 . 2 1 1 A 4 4 TYR H H 4 9.186 8.961 0.225 1
1 13 . 2 1 1 A 4 4 TYR HA H 4 5.061 5.035 0.026 1
1 20 . 2 1 1 A 4 4 TYR N N 4 122.362 120.069 2.293 1
1 21 . 2 1 1 A 5 5 GLU H H 5 9.357 8.388 0.969 1
1 22 . 2 1 1 A 5 5 GLU HA H 5 5.006 4.738 0.268 1
1 27 . 2 1 1 A 5 5 GLU N N 5 119.338 120.548 -1.210 1
1 28 . 2 1 1 A 6 6 VAL H H 6 9.387 8.234 1.153 1
1 29 . 2 1 1 A 6 6 VAL HA H 6 4.481 4.685 -0.204 1
1 37 . 2 1 1 A 6 6 VAL N N 6 124.463 123.808 0.655 1
1 38 . 2 1 1 A 7 7 ASN H H 7 9.059 9.364 -0.305 1
1 39 . 2 1 1 A 7 7 ASN HA H 7 5.550 5.163 0.387 1
1 44 . 2 1 1 A 7 7 ASN N N 7 125.802 126.424 -0.622 1
1 46 . 2 1 1 A 8 8 ILE H H 8 9.108 8.994 0.114 1
1 47 . 2 1 1 A 8 8 ILE HA H 8 4.851 4.863 -0.012 1
1 57 . 2 1 1 A 8 8 ILE N N 8 125.010 126.675 -1.665 1
1 58 . 2 1 1 A 9 9 VAL H H 9 8.669 9.322 -0.653 1
1 59 . 2 1 1 A 9 9 VAL HA H 9 4.518 5.129 -0.611 1
1 67 . 2 1 1 A 9 9 VAL N N 9 125.755 123.253 2.502 1
1 68 . 2 1 1 A 10 10 LEU H H 10 9.855 8.935 0.920 1
1 69 . 2 1 1 A 10 10 LEU HA H 10 5.341 5.259 0.082 1
1 79 . 2 1 1 A 10 10 LEU N N 10 127.024 125.496 1.528 1
1 80 . 2 1 1 A 11 11 ASN H H 11 8.316 8.623 -0.307 1
1 85 . 2 1 1 A 11 11 ASN N N 11 118.911 120.943 -2.032 1
1 87 . 2 1 1 A 12 12 PRO HA H 12 4.471 4.568 -0.097 1
1 90 . 2 1 1 A 13 13 ASN H H 13 8.316 8.321 -0.005 1
1 91 . 2 1 1 A 13 13 ASN HA H 13 4.813 4.934 -0.121 1
1 96 . 2 1 1 A 13 13 ASN N N 13 118.703 118.962 -0.259 1
1 98 . 2 1 1 A 14 14 LEU H H 14 7.181 7.311 -0.130 1
1 99 . 2 1 1 A 14 14 LEU HA H 14 4.382 4.331 0.051 1
1 109 . 2 1 1 A 14 14 LEU N N 14 118.890 121.768 -2.878 1
1 110 . 2 1 1 A 15 15 ASP H H 15 8.671 8.511 0.160 1
1 111 . 2 1 1 A 15 15 ASP HA H 15 4.704 4.825 -0.121 1
1 114 . 2 1 1 A 15 15 ASP N N 15 122.145 121.462 0.683 1
1 115 . 2 1 1 A 16 16 GLN H H 16 8.549 8.788 -0.239 1
1 116 . 2 1 1 A 16 16 GLN HA H 16 3.939 3.900 0.039 1
1 123 . 2 1 1 A 16 16 GLN N N 16 116.429 120.073 -3.644 1
1 125 . 2 1 1 A 17 17 SER H H 17 8.352 7.866 0.486 1
1 126 . 2 1 1 A 17 17 SER HA H 17 4.316 4.060 0.256 1
1 129 . 2 1 1 A 17 17 SER N N 17 117.102 114.102 3.000 1
1 130 . 2 1 1 A 18 18 GLN H H 18 8.683 8.516 0.167 1
1 131 . 2 1 1 A 18 18 GLN HA H 18 4.065 4.049 0.016 1
1 138 . 2 1 1 A 18 18 GLN N N 18 124.500 121.835 2.665 1
1 140 . 2 1 1 A 19 19 LEU H H 19 8.792 8.142 0.650 1
1 141 . 2 1 1 A 19 19 LEU HA H 19 3.793 4.437 -0.644 1
1 148 . 2 1 1 A 19 19 LEU N N 19 121.821 121.934 -0.113 1
1 149 . 2 1 1 A 20 20 ALA H H 20 7.823 8.331 -0.508 1
1 150 . 2 1 1 A 20 20 ALA HA H 20 4.014 4.077 -0.063 1
1 154 . 2 1 1 A 20 20 ALA N N 20 120.183 120.757 -0.574 1
1 155 . 2 1 1 A 21 21 LEU H H 21 7.569 7.373 0.196 1
1 156 . 2 1 1 A 21 21 LEU HA H 21 4.255 3.931 0.324 1
1 166 . 2 1 1 A 21 21 LEU N N 21 119.682 116.961 2.721 1
1 167 . 2 1 1 A 22 22 GLU H H 22 8.076 7.994 0.082 1
1 168 . 2 1 1 A 22 22 GLU HA H 22 4.146 4.000 0.146 1
1 173 . 2 1 1 A 22 22 GLU N N 22 117.135 119.859 -2.724 1
1 174 . 2 1 1 A 23 23 LYS H H 23 8.400 7.630 0.770 1
1 175 . 2 1 1 A 23 23 LYS HA H 23 3.940 4.048 -0.108 1
1 182 . 2 1 1 A 23 23 LYS N N 23 117.328 120.210 -2.882 1
1 183 . 2 1 1 A 24 24 GLU H H 24 8.002 7.788 0.214 1
1 184 . 2 1 1 A 24 24 GLU HA H 24 4.134 4.114 0.020 1
1 189 . 2 1 1 A 24 24 GLU N N 24 121.932 119.476 2.456 1
1 190 . 2 1 1 A 25 25 ILE H H 25 8.124 8.121 0.003 1
1 191 . 2 1 1 A 25 25 ILE HA H 25 3.628 3.671 -0.043 1
1 201 . 2 1 1 A 25 25 ILE N N 25 121.791 119.316 2.475 1
1 202 . 2 1 1 A 26 26 ILE H H 26 8.311 8.454 -0.143 1
1 203 . 2 1 1 A 26 26 ILE HA H 26 3.421 3.448 -0.027 1
1 211 . 2 1 1 A 26 26 ILE N N 26 122.094 121.345 0.749 1
1 212 . 2 1 1 A 27 27 GLN H H 27 8.169 7.902 0.267 1
1 213 . 2 1 1 A 27 27 GLN HA H 27 3.769 3.929 -0.160 1
1 220 . 2 1 1 A 27 27 GLN N N 27 118.606 118.061 0.545 1
1 222 . 2 1 1 A 28 28 ARG H H 28 8.146 7.770 0.376 1
1 223 . 2 1 1 A 28 28 ARG HA H 28 4.125 4.044 0.081 1
1 230 . 2 1 1 A 28 28 ARG N N 28 118.685 119.643 -0.958 1
1 231 . 2 1 1 A 29 29 ALA H H 29 8.176 7.634 0.542 1
1 232 . 2 1 1 A 29 29 ALA HA H 29 4.318 4.118 0.200 1
1 236 . 2 1 1 A 29 29 ALA N N 29 123.579 121.788 1.791 1
1 237 . 2 1 1 A 30 30 LEU H H 30 8.415 8.072 0.343 1
1 238 . 2 1 1 A 30 30 LEU HA H 30 3.774 3.907 -0.133 1
1 248 . 2 1 1 A 30 30 LEU N N 30 116.873 118.994 -2.121 1
1 249 . 2 1 1 A 31 31 GLU H H 31 7.865 7.972 -0.107 1
1 250 . 2 1 1 A 31 31 GLU HA H 31 4.172 4.008 0.164 1
1 255 . 2 1 1 A 31 31 GLU N N 31 117.422 118.617 -1.195 1
1 256 . 2 1 1 A 32 32 ASN H H 32 8.715 8.280 0.435 1
1 257 . 2 1 1 A 32 32 ASN HA H 32 4.434 4.498 -0.064 1
1 262 . 2 1 1 A 32 32 ASN N N 32 120.768 118.290 2.478 1
1 264 . 2 1 1 A 33 33 TYR H H 33 7.882 7.700 0.182 1
1 265 . 2 1 1 A 33 33 TYR HA H 33 4.321 4.568 -0.247 1
1 272 . 2 1 1 A 33 33 TYR N N 33 117.207 117.101 0.106 1
1 273 . 2 1 1 A 34 34 GLY H H 34 7.668 7.915 -0.247 1
1 274 . 2 1 1 A 34 34 GLY HA2 H 34 3.796 3.972 -0.176 1
1 275 . 2 1 1 A 34 34 GLY HA3 H 34 4.037 3.984 0.053 1
1 276 . 2 1 1 A 34 34 GLY N N 34 104.268 108.229 -3.961 1
1 277 . 2 1 1 A 35 35 ALA H H 35 8.373 8.564 -0.191 1
1 278 . 2 1 1 A 35 35 ALA HA H 35 4.955 4.439 0.516 1
1 282 . 2 1 1 A 35 35 ALA N N 35 120.534 123.714 -3.180 1
1 283 . 2 1 1 A 36 36 ARG H H 36 9.073 8.643 0.430 1
1 284 . 2 1 1 A 36 36 ARG HA H 36 4.582 5.040 -0.458 1
1 289 . 2 1 1 A 36 36 ARG N N 36 123.245 122.602 0.643 1
1 290 . 2 1 1 A 37 37 VAL H H 37 9.105 8.695 0.410 1
1 291 . 2 1 1 A 37 37 VAL HA H 37 4.011 4.858 -0.847 1
1 299 . 2 1 1 A 37 37 VAL N N 37 126.869 121.569 5.300 1
1 300 . 2 1 1 A 38 38 GLU H H 38 9.217 8.932 0.285 1
1 301 . 2 1 1 A 38 38 GLU HA H 38 4.395 4.414 -0.019 1
1 306 . 2 1 1 A 38 38 GLU N N 38 129.074 127.889 1.185 1
1 307 . 2 1 1 A 39 39 LYS H H 39 7.822 7.619 0.203 1
1 308 . 2 1 1 A 39 39 LYS HA H 39 4.672 4.690 -0.018 1
1 315 . 2 1 1 A 39 39 LYS N N 39 116.882 118.592 -1.710 1
1 316 . 2 1 1 A 40 40 VAL H H 40 8.412 8.781 -0.369 1
1 317 . 2 1 1 A 40 40 VAL HA H 40 4.892 4.809 0.083 1
1 325 . 2 1 1 A 40 40 VAL N N 40 121.731 125.488 -3.757 1
1 326 . 2 1 1 A 41 41 GLU H H 41 9.523 9.340 0.183 1
1 327 . 2 1 1 A 41 41 GLU HA H 41 4.688 4.957 -0.269 1
1 332 . 2 1 1 A 41 41 GLU N N 41 126.064 128.565 -2.501 1
1 333 . 2 1 1 A 42 42 GLU H H 42 9.049 8.778 0.271 1
1 334 . 2 1 1 A 42 42 GLU HA H 42 4.658 4.955 -0.297 1
1 339 . 2 1 1 A 42 42 GLU N N 42 126.962 125.634 1.328 1
1 340 . 2 1 1 A 43 43 LEU H H 43 7.887 9.368 -1.481 1
1 341 . 2 1 1 A 43 43 LEU HA H 43 4.252 4.433 -0.181 1
1 351 . 2 1 1 A 43 43 LEU N N 43 126.929 124.893 2.036 1
1 352 . 2 1 1 A 44 44 GLY H H 44 7.839 8.085 -0.246 1
1 353 . 2 1 1 A 44 44 GLY HA2 H 44 2.380 4.052 -1.672 1
1 354 . 2 1 1 A 44 44 GLY HA3 H 44 3.940 4.072 -0.132 1
1 355 . 2 1 1 A 44 44 GLY N N 44 105.145 106.137 -0.992 1
1 356 . 2 1 1 A 45 45 LEU H H 45 8.579 7.943 0.636 1
1 357 . 2 1 1 A 45 45 LEU HA H 45 4.906 4.396 0.510 1
1 367 . 2 1 1 A 45 45 LEU N N 45 122.487 119.463 3.024 1
1 368 . 2 1 1 A 46 46 ARG H H 46 8.899 8.459 0.440 1
1 369 . 2 1 1 A 46 46 ARG HA H 46 4.584 4.615 -0.031 1
1 374 . 2 1 1 A 46 46 ARG N N 46 123.175 120.688 2.487 1
1 375 . 2 1 1 A 47 47 ARG H H 47 8.330 8.625 -0.295 1
1 376 . 2 1 1 A 47 47 ARG HA H 47 4.429 4.244 0.185 1
1 381 . 2 1 1 A 47 47 ARG N N 47 120.447 126.740 -6.293 1
1 382 . 2 1 1 A 48 48 LEU H H 48 8.348 8.339 0.009 1
1 383 . 2 1 1 A 48 48 LEU HA H 48 4.458 4.468 -0.010 1
1 393 . 2 1 1 A 48 48 LEU N N 48 124.979 120.693 4.286 1
1 394 . 2 1 1 A 49 49 ALA H H 49 7.975 8.797 -0.822 1
1 395 . 2 1 1 A 49 49 ALA HA H 49 4.176 4.650 -0.474 1
1 399 . 2 1 1 A 49 49 ALA N N 49 130.824 126.915 3.909 1
1 400 . 2 1 1 A 50 50 TYR H H 50 8.587 8.941 -0.354 1
1 401 . 2 1 1 A 50 50 TYR HA H 50 4.656 4.262 0.394 1
1 404 . 2 1 1 A 50 50 TYR N N 50 122.514 118.907 3.607 1
1 405 . 2 1 1 A 51 51 PRO HA H 51 4.554 4.681 -0.127 1
1 406 . 2 1 1 A 52 52 ILE H H 52 8.262 8.162 0.100 1
1 407 . 2 1 1 A 52 52 ILE HA H 52 4.182 4.508 -0.326 1
1 414 . 2 1 1 A 52 52 ILE N N 52 121.932 120.809 1.123 1
1 415 . 2 1 1 A 53 53 ALA H H 53 8.420 8.574 -0.154 1
1 416 . 2 1 1 A 53 53 ALA HA H 53 4.359 3.878 0.481 1
1 420 . 2 1 1 A 53 53 ALA N N 53 128.607 123.157 5.450 1
1 421 . 2 1 1 A 54 54 LYS H H 54 8.338 8.788 -0.450 1
1 422 . 2 1 1 A 54 54 LYS HA H 54 4.320 4.431 -0.111 1
1 427 . 2 1 1 A 54 54 LYS N N 54 120.865 117.846 3.019 1
1 428 . 2 1 1 A 55 55 ASP H H 55 8.242 8.611 -0.369 1
1 431 . 2 1 1 A 55 55 ASP N N 55 121.940 120.650 1.290 1
1 432 . 2 1 1 A 56 56 PRO HA H 56 4.541 4.621 -0.080 1
1 433 . 2 1 1 A 57 57 GLN H H 57 8.346 8.421 -0.075 1
1 434 . 2 1 1 A 57 57 GLN HA H 57 5.113 4.447 0.666 1
1 441 . 2 1 1 A 57 57 GLN N N 57 119.306 117.864 1.442 1
1 443 . 2 1 1 A 58 58 GLY H H 58 8.724 8.569 0.155 1
1 444 . 2 1 1 A 58 58 GLY HA2 H 58 3.594 4.045 -0.451 1
1 445 . 2 1 1 A 58 58 GLY HA3 H 58 4.313 4.064 0.249 1
1 446 . 2 1 1 A 58 58 GLY N N 58 103.688 107.593 -3.905 1
1 447 . 2 1 1 A 59 59 TYR H H 59 8.941 8.208 0.733 1
1 448 . 2 1 1 A 59 59 TYR HA H 59 4.741 4.850 -0.109 1
1 453 . 2 1 1 A 59 59 TYR N N 59 123.537 122.721 0.816 1
1 454 . 2 1 1 A 60 60 PHE H H 60 9.215 8.937 0.278 1
1 455 . 2 1 1 A 60 60 PHE HA H 60 5.054 5.048 0.006 1
1 460 . 2 1 1 A 60 60 PHE N N 60 130.526 126.914 3.612 1
1 461 . 2 1 1 A 61 61 LEU H H 61 9.388 8.976 0.412 1
1 462 . 2 1 1 A 61 61 LEU HA H 61 5.047 5.212 -0.165 1
1 472 . 2 1 1 A 61 61 LEU N N 61 123.595 119.664 3.931 1
1 473 . 2 1 1 A 62 62 TRP H H 62 8.752 8.583 0.169 1
1 474 . 2 1 1 A 62 62 TRP HA H 62 5.554 5.625 -0.071 1
1 481 . 2 1 1 A 62 62 TRP N N 62 125.081 125.932 -0.851 1
1 483 . 2 1 1 A 63 63 TYR H H 63 8.592 8.268 0.324 1
1 484 . 2 1 1 A 63 63 TYR HA H 63 4.972 5.419 -0.447 1
1 491 . 2 1 1 A 63 63 TYR N N 63 123.346 122.556 0.790 1
1 492 . 2 1 1 A 64 64 GLN H H 64 8.604 7.897 0.707 1
1 493 . 2 1 1 A 64 64 GLN HA H 64 4.866 4.435 0.431 1
1 500 . 2 1 1 A 64 64 GLN N N 64 123.079 119.318 3.761 1
1 502 . 2 1 1 A 65 65 VAL H H 65 9.204 8.396 0.808 1
1 503 . 2 1 1 A 65 65 VAL HA H 65 5.672 5.127 0.545 1
1 511 . 2 1 1 A 65 65 VAL N N 65 119.156 118.020 1.136 1
1 512 . 2 1 1 A 66 66 GLU H H 66 8.635 8.787 -0.152 1
1 513 . 2 1 1 A 66 66 GLU HA H 66 5.333 4.908 0.425 1
1 518 . 2 1 1 A 66 66 GLU N N 66 121.502 122.101 -0.599 1
1 519 . 2 1 1 A 67 67 MET H H 67 9.480 8.300 1.180 1
1 520 . 2 1 1 A 67 67 MET N N 67 122.258 122.643 -0.385 1
1 521 . 2 1 1 A 68 68 PRO HA H 68 4.562 4.616 -0.054 1
1 522 . 2 1 1 A 69 69 GLU H H 69 10.059 8.711 1.348 1
1 523 . 2 1 1 A 69 69 GLU HA H 69 4.442 3.851 0.591 1
1 528 . 2 1 1 A 69 69 GLU N N 69 126.845 121.973 4.872 1
1 529 . 2 1 1 A 70 70 ASP H H 70 8.763 7.965 0.798 1
1 530 . 2 1 1 A 70 70 ASP HA H 70 4.568 4.393 0.175 1
1 533 . 2 1 1 A 70 70 ASP N N 70 115.710 121.126 -5.416 1
1 534 . 2 1 1 A 71 71 ARG H H 71 7.679 7.914 -0.235 1
1 535 . 2 1 1 A 71 71 ARG HA H 71 4.853 4.099 0.754 1
1 536 . 2 1 1 A 71 71 ARG N N 71 116.513 120.224 -3.711 1
1 537 . 2 1 1 A 72 72 VAL H H 72 6.949 7.702 -0.753 1
1 538 . 2 1 1 A 72 72 VAL HA H 72 3.287 3.616 -0.329 1
1 546 . 2 1 1 A 72 72 VAL N N 72 119.962 118.311 1.651 1
1 547 . 2 1 1 A 73 73 ASN H H 73 8.292 8.297 -0.005 1
1 548 . 2 1 1 A 73 73 ASN HA H 73 4.378 4.332 0.046 1
1 553 . 2 1 1 A 73 73 ASN N N 73 117.910 119.351 -1.441 1
1 555 . 2 1 1 A 74 74 ASP H H 74 7.985 8.139 -0.154 1
1 556 . 2 1 1 A 74 74 ASP HA H 74 4.325 4.311 0.014 1
1 559 . 2 1 1 A 74 74 ASP N N 74 121.962 119.680 2.282 1
1 560 . 2 1 1 A 75 75 LEU H H 75 7.519 8.348 -0.829 1
1 561 . 2 1 1 A 75 75 LEU HA H 75 3.060 3.895 -0.835 1
1 570 . 2 1 1 A 75 75 LEU N N 75 122.206 120.748 1.458 1
1 571 . 2 1 1 A 76 76 ALA H H 76 7.936 8.515 -0.579 1
1 572 . 2 1 1 A 76 76 ALA HA H 76 3.582 3.964 -0.382 1
1 576 . 2 1 1 A 76 76 ALA N N 76 119.529 120.839 -1.310 1
1 577 . 2 1 1 A 77 77 ARG H H 77 7.619 8.170 -0.551 1
1 578 . 2 1 1 A 77 77 ARG HA H 77 3.852 4.109 -0.257 1
1 585 . 2 1 1 A 77 77 ARG N N 77 115.626 117.748 -2.122 1
1 586 . 2 1 1 A 78 78 GLU H H 78 7.739 7.626 0.113 1
1 587 . 2 1 1 A 78 78 GLU HA H 78 4.000 4.005 -0.005 1
1 592 . 2 1 1 A 78 78 GLU N N 78 119.427 120.027 -0.600 1
1 593 . 2 1 1 A 79 79 LEU H H 79 8.183 8.051 0.132 1
1 594 . 2 1 1 A 79 79 LEU HA H 79 4.033 3.933 0.100 1
1 603 . 2 1 1 A 79 79 LEU N N 79 117.433 120.363 -2.930 1
1 604 . 2 1 1 A 80 80 ARG H H 80 7.546 7.617 -0.071 1
1 605 . 2 1 1 A 80 80 ARG HA H 80 3.960 4.109 -0.149 1
1 610 . 2 1 1 A 80 80 ARG N N 80 113.295 119.909 -6.614 1
1 611 . 2 1 1 A 81 81 ILE H H 81 7.280 7.601 -0.321 1
1 612 . 2 1 1 A 81 81 ILE HA H 81 3.987 3.782 0.205 1
1 622 . 2 1 1 A 81 81 ILE N N 81 115.559 119.004 -3.445 1
1 623 . 2 1 1 A 82 82 ARG H H 82 6.846 7.542 -0.696 1
1 624 . 2 1 1 A 82 82 ARG HA H 82 4.231 4.381 -0.150 1
1 631 . 2 1 1 A 82 82 ARG N N 82 119.695 120.450 -0.755 1
1 632 . 2 1 1 A 83 83 ASP H H 83 8.502 8.797 -0.295 1
1 633 . 2 1 1 A 83 83 ASP HA H 83 4.346 4.344 0.002 1
1 636 . 2 1 1 A 83 83 ASP N N 83 123.697 120.523 3.174 1
1 637 . 2 1 1 A 84 84 ASN H H 84 8.883 8.183 0.700 1
1 638 . 2 1 1 A 84 84 ASN HA H 84 4.822 4.581 0.241 1
1 643 . 2 1 1 A 84 84 ASN N N 84 112.236 116.522 -4.286 1
1 645 . 2 1 1 A 85 85 VAL H H 85 7.800 7.639 0.161 1
1 646 . 2 1 1 A 85 85 VAL HA H 85 4.048 4.165 -0.117 1
1 654 . 2 1 1 A 85 85 VAL N N 85 122.112 119.338 2.774 1
1 655 . 2 1 1 A 86 86 ARG H H 86 9.285 8.624 0.661 1
1 656 . 2 1 1 A 86 86 ARG HA H 86 4.432 4.508 -0.076 1
1 657 . 2 1 1 A 86 86 ARG N N 86 126.445 127.008 -0.563 1
1 658 . 2 1 1 A 87 87 ARG H H 87 7.671 7.695 -0.024 1
1 659 . 2 1 1 A 87 87 ARG HA H 87 4.556 4.887 -0.331 1
1 666 . 2 1 1 A 87 87 ARG N N 87 116.855 117.362 -0.507 1
1 667 . 2 1 1 A 88 88 VAL H H 88 8.904 8.638 0.266 1
1 668 . 2 1 1 A 88 88 VAL HA H 88 4.834 4.930 -0.096 1
1 676 . 2 1 1 A 88 88 VAL N N 88 123.751 118.003 5.748 1
1 677 . 2 1 1 A 89 89 MET H H 89 9.119 8.642 0.477 1
1 678 . 2 1 1 A 89 89 MET HA H 89 4.869 5.325 -0.456 1
1 683 . 2 1 1 A 89 89 MET N N 89 127.251 124.536 2.715 1
1 684 . 2 1 1 A 90 90 VAL H H 90 9.007 9.050 -0.043 1
1 685 . 2 1 1 A 90 90 VAL HA H 90 4.962 5.343 -0.381 1
1 693 . 2 1 1 A 90 90 VAL N N 90 127.769 124.473 3.296 1
1 694 . 2 1 1 A 91 91 VAL H H 91 9.195 8.621 0.574 1
1 695 . 2 1 1 A 91 91 VAL HA H 91 4.660 5.005 -0.345 1
1 703 . 2 1 1 A 91 91 VAL N N 91 126.267 121.977 4.290 1
1 704 . 2 1 1 A 92 92 LYS H H 92 8.914 8.393 0.521 1
1 705 . 2 1 1 A 92 92 LYS HA H 92 4.124 4.006 0.118 1
1 712 . 2 1 1 A 92 92 LYS N N 92 126.996 123.118 3.878 1
1 713 . 2 1 1 A 93 93 SER H H 93 8.046 7.708 0.338 1
1 714 . 2 1 1 A 93 93 SER HA H 93 4.396 4.870 -0.474 1
1 717 . 2 1 1 A 93 93 SER N N 93 120.732 116.861 3.871 1
1 718 . 2 1 1 A 94 94 GLN H H 94 8.806 8.701 0.105 1
1 719 . 2 1 1 A 94 94 GLN HA H 94 4.316 4.514 -0.198 1
1 726 . 2 1 1 A 94 94 GLN N N 94 124.100 127.371 -3.271 1
1 728 . 2 1 1 A 95 95 GLU H H 95 8.481 8.447 0.034 1
1 729 . 2 1 1 A 95 95 GLU HA H 95 4.579 4.570 0.009 1
1 734 . 2 1 1 A 95 95 GLU N N 95 124.145 119.985 4.160 1
1 735 . 2 1 1 A 96 96 PRO HA H 96 4.408 4.834 -0.426 1
1 742 . 2 1 1 A 97 97 PHE H H 97 8.234 8.731 -0.497 1
1 743 . 2 1 1 A 97 97 PHE HA H 97 4.647 5.010 -0.363 1
1 748 . 2 1 1 A 97 97 PHE N N 97 120.145 120.201 -0.056 1
1 749 . 2 1 1 A 98 98 LEU H H 98 8.115 9.007 -0.892 1
1 750 . 2 1 1 A 98 98 LEU HA H 98 4.368 4.928 -0.560 1
1 759 . 2 1 1 A 98 98 LEU N N 98 125.838 118.428 7.410 1
1 760 . 2 1 1 A 99 99 ALA H H 99 7.765 8.570 -0.805 1
1 761 . 2 1 1 A 99 99 ALA HA H 99 4.074 4.366 -0.292 1
1 2 . 3 1 1 A 2 2 ARG H H 2 8.836 7.990 0.846 1
1 3 . 3 1 1 A 2 2 ARG HA H 2 4.715 4.692 0.023 1
1 5 . 3 1 1 A 2 2 ARG N N 2 122.718 117.865 4.853 1
1 6 . 3 1 1 A 3 3 ARG H H 3 8.145 8.506 -0.361 1
1 7 . 3 1 1 A 3 3 ARG HA H 3 5.354 5.794 -0.440 1
1 11 . 3 1 1 A 3 3 ARG N N 3 121.051 118.614 2.437 1
1 12 . 3 1 1 A 4 4 TYR H H 4 9.186 9.204 -0.018 1
1 13 . 3 1 1 A 4 4 TYR HA H 4 5.061 5.160 -0.099 1
1 20 . 3 1 1 A 4 4 TYR N N 4 122.362 119.357 3.005 1
1 21 . 3 1 1 A 5 5 GLU H H 5 9.357 8.866 0.491 1
1 22 . 3 1 1 A 5 5 GLU HA H 5 5.006 5.655 -0.649 1
1 27 . 3 1 1 A 5 5 GLU N N 5 119.338 122.248 -2.910 1
1 28 . 3 1 1 A 6 6 VAL H H 6 9.387 9.310 0.077 1
1 29 . 3 1 1 A 6 6 VAL HA H 6 4.481 4.965 -0.484 1
1 37 . 3 1 1 A 6 6 VAL N N 6 124.463 122.544 1.919 1
1 38 . 3 1 1 A 7 7 ASN H H 7 9.059 8.974 0.085 1
1 39 . 3 1 1 A 7 7 ASN HA H 7 5.550 5.259 0.291 1
1 44 . 3 1 1 A 7 7 ASN N N 7 125.802 124.157 1.645 1
1 46 . 3 1 1 A 8 8 ILE H H 8 9.108 8.863 0.245 1
1 47 . 3 1 1 A 8 8 ILE HA H 8 4.851 4.627 0.224 1
1 57 . 3 1 1 A 8 8 ILE N N 8 125.010 126.427 -1.417 1
1 58 . 3 1 1 A 9 9 VAL H H 9 8.669 8.853 -0.184 1
1 59 . 3 1 1 A 9 9 VAL HA H 9 4.518 4.671 -0.153 1
1 67 . 3 1 1 A 9 9 VAL N N 9 125.755 128.443 -2.688 1
1 68 . 3 1 1 A 10 10 LEU H H 10 9.855 8.886 0.969 1
1 69 . 3 1 1 A 10 10 LEU HA H 10 5.341 5.408 -0.067 1
1 79 . 3 1 1 A 10 10 LEU N N 10 127.024 124.895 2.129 1
1 80 . 3 1 1 A 11 11 ASN H H 11 8.316 8.630 -0.314 1
1 85 . 3 1 1 A 11 11 ASN N N 11 118.911 117.218 1.693 1
1 87 . 3 1 1 A 12 12 PRO HA H 12 4.471 4.676 -0.205 1
1 90 . 3 1 1 A 13 13 ASN H H 13 8.316 8.238 0.078 1
1 91 . 3 1 1 A 13 13 ASN HA H 13 4.813 4.581 0.232 1
1 96 . 3 1 1 A 13 13 ASN N N 13 118.703 119.449 -0.746 1
1 98 . 3 1 1 A 14 14 LEU H H 14 7.181 7.735 -0.554 1
1 99 . 3 1 1 A 14 14 LEU HA H 14 4.382 4.204 0.178 1
1 109 . 3 1 1 A 14 14 LEU N N 14 118.890 119.661 -0.771 1
1 110 . 3 1 1 A 15 15 ASP H H 15 8.671 8.700 -0.029 1
1 111 . 3 1 1 A 15 15 ASP HA H 15 4.704 4.842 -0.138 1
1 114 . 3 1 1 A 15 15 ASP N N 15 122.145 121.085 1.060 1
1 115 . 3 1 1 A 16 16 GLN H H 16 8.549 8.792 -0.243 1
1 116 . 3 1 1 A 16 16 GLN HA H 16 3.939 3.895 0.044 1
1 123 . 3 1 1 A 16 16 GLN N N 16 116.429 120.080 -3.651 1
1 125 . 3 1 1 A 17 17 SER H H 17 8.352 7.951 0.401 1
1 126 . 3 1 1 A 17 17 SER HA H 17 4.316 4.147 0.169 1
1 129 . 3 1 1 A 17 17 SER N N 17 117.102 114.934 2.168 1
1 130 . 3 1 1 A 18 18 GLN H H 18 8.683 9.096 -0.413 1
1 131 . 3 1 1 A 18 18 GLN HA H 18 4.065 4.062 0.003 1
1 138 . 3 1 1 A 18 18 GLN N N 18 124.500 121.849 2.651 1
1 140 . 3 1 1 A 19 19 LEU H H 19 8.792 7.928 0.864 1
1 141 . 3 1 1 A 19 19 LEU HA H 19 3.793 4.026 -0.233 1
1 148 . 3 1 1 A 19 19 LEU N N 19 121.821 122.113 -0.292 1
1 149 . 3 1 1 A 20 20 ALA H H 20 7.823 7.969 -0.146 1
1 150 . 3 1 1 A 20 20 ALA HA H 20 4.014 3.974 0.040 1
1 154 . 3 1 1 A 20 20 ALA N N 20 120.183 120.678 -0.495 1
1 155 . 3 1 1 A 21 21 LEU H H 21 7.569 7.590 -0.021 1
1 156 . 3 1 1 A 21 21 LEU HA H 21 4.255 3.895 0.360 1
1 166 . 3 1 1 A 21 21 LEU N N 21 119.682 117.273 2.409 1
1 167 . 3 1 1 A 22 22 GLU H H 22 8.076 8.308 -0.232 1
1 168 . 3 1 1 A 22 22 GLU HA H 22 4.146 4.035 0.111 1
1 173 . 3 1 1 A 22 22 GLU N N 22 117.135 122.042 -4.907 1
1 174 . 3 1 1 A 23 23 LYS H H 23 8.400 7.370 1.030 1
1 175 . 3 1 1 A 23 23 LYS HA H 23 3.940 4.080 -0.140 1
1 182 . 3 1 1 A 23 23 LYS N N 23 117.328 119.323 -1.995 1
1 183 . 3 1 1 A 24 24 GLU H H 24 8.002 7.866 0.136 1
1 184 . 3 1 1 A 24 24 GLU HA H 24 4.134 4.151 -0.017 1
1 189 . 3 1 1 A 24 24 GLU N N 24 121.932 119.274 2.658 1
1 190 . 3 1 1 A 25 25 ILE H H 25 8.124 7.288 0.836 1
1 191 . 3 1 1 A 25 25 ILE HA H 25 3.628 3.658 -0.030 1
1 201 . 3 1 1 A 25 25 ILE N N 25 121.791 120.088 1.703 1
1 202 . 3 1 1 A 26 26 ILE H H 26 8.311 7.785 0.526 1
1 203 . 3 1 1 A 26 26 ILE HA H 26 3.421 3.416 0.005 1
1 211 . 3 1 1 A 26 26 ILE N N 26 122.094 121.055 1.039 1
1 212 . 3 1 1 A 27 27 GLN H H 27 8.169 8.075 0.094 1
1 213 . 3 1 1 A 27 27 GLN HA H 27 3.769 3.877 -0.108 1
1 220 . 3 1 1 A 27 27 GLN N N 27 118.606 118.314 0.292 1
1 222 . 3 1 1 A 28 28 ARG H H 28 8.146 8.049 0.097 1
1 223 . 3 1 1 A 28 28 ARG HA H 28 4.125 4.068 0.057 1
1 230 . 3 1 1 A 28 28 ARG N N 28 118.685 118.595 0.090 1
1 231 . 3 1 1 A 29 29 ALA H H 29 8.176 8.076 0.100 1
1 232 . 3 1 1 A 29 29 ALA HA H 29 4.318 4.000 0.318 1
1 236 . 3 1 1 A 29 29 ALA N N 29 123.579 122.499 1.080 1
1 237 . 3 1 1 A 30 30 LEU H H 30 8.415 7.703 0.712 1
1 238 . 3 1 1 A 30 30 LEU HA H 30 3.774 3.947 -0.173 1
1 248 . 3 1 1 A 30 30 LEU N N 30 116.873 117.148 -0.275 1
1 249 . 3 1 1 A 31 31 GLU H H 31 7.865 7.841 0.024 1
1 250 . 3 1 1 A 31 31 GLU HA H 31 4.172 4.014 0.158 1
1 255 . 3 1 1 A 31 31 GLU N N 31 117.422 119.547 -2.125 1
1 256 . 3 1 1 A 32 32 ASN H H 32 8.715 8.354 0.361 1
1 257 . 3 1 1 A 32 32 ASN HA H 32 4.434 4.478 -0.044 1
1 262 . 3 1 1 A 32 32 ASN N N 32 120.768 118.162 2.606 1
1 264 . 3 1 1 A 33 33 TYR H H 33 7.882 7.738 0.144 1
1 265 . 3 1 1 A 33 33 TYR HA H 33 4.321 4.539 -0.218 1
1 272 . 3 1 1 A 33 33 TYR N N 33 117.207 119.700 -2.493 1
1 273 . 3 1 1 A 34 34 GLY H H 34 7.668 8.174 -0.506 1
1 274 . 3 1 1 A 34 34 GLY HA2 H 34 3.796 3.782 0.014 1
1 275 . 3 1 1 A 34 34 GLY HA3 H 34 4.037 3.913 0.124 1
1 276 . 3 1 1 A 34 34 GLY N N 34 104.268 108.879 -4.611 1
1 277 . 3 1 1 A 35 35 ALA H H 35 8.373 8.109 0.264 1
1 278 . 3 1 1 A 35 35 ALA HA H 35 4.955 4.808 0.147 1
1 282 . 3 1 1 A 35 35 ALA N N 35 120.534 122.529 -1.995 1
1 283 . 3 1 1 A 36 36 ARG H H 36 9.073 8.795 0.278 1
1 284 . 3 1 1 A 36 36 ARG HA H 36 4.582 4.729 -0.147 1
1 289 . 3 1 1 A 36 36 ARG N N 36 123.245 123.242 0.003 1
1 290 . 3 1 1 A 37 37 VAL H H 37 9.105 8.420 0.685 1
1 291 . 3 1 1 A 37 37 VAL HA H 37 4.011 4.827 -0.816 1
1 299 . 3 1 1 A 37 37 VAL N N 37 126.869 125.336 1.533 1
1 300 . 3 1 1 A 38 38 GLU H H 38 9.217 8.988 0.229 1
1 301 . 3 1 1 A 38 38 GLU HA H 38 4.395 4.607 -0.212 1
1 306 . 3 1 1 A 38 38 GLU N N 38 129.074 126.872 2.202 1
1 307 . 3 1 1 A 39 39 LYS H H 39 7.822 7.551 0.271 1
1 308 . 3 1 1 A 39 39 LYS HA H 39 4.672 4.749 -0.077 1
1 315 . 3 1 1 A 39 39 LYS N N 39 116.882 118.054 -1.172 1
1 316 . 3 1 1 A 40 40 VAL H H 40 8.412 8.750 -0.338 1
1 317 . 3 1 1 A 40 40 VAL HA H 40 4.892 4.190 0.702 1
1 325 . 3 1 1 A 40 40 VAL N N 40 121.731 121.994 -0.263 1
1 326 . 3 1 1 A 41 41 GLU H H 41 9.523 8.254 1.269 1
1 327 . 3 1 1 A 41 41 GLU HA H 41 4.688 4.914 -0.226 1
1 332 . 3 1 1 A 41 41 GLU N N 41 126.064 129.749 -3.685 1
1 333 . 3 1 1 A 42 42 GLU H H 42 9.049 8.795 0.254 1
1 334 . 3 1 1 A 42 42 GLU HA H 42 4.658 4.679 -0.021 1
1 339 . 3 1 1 A 42 42 GLU N N 42 126.962 126.194 0.768 1
1 340 . 3 1 1 A 43 43 LEU H H 43 7.887 9.129 -1.242 1
1 341 . 3 1 1 A 43 43 LEU HA H 43 4.252 4.282 -0.030 1
1 351 . 3 1 1 A 43 43 LEU N N 43 126.929 126.446 0.483 1
1 352 . 3 1 1 A 44 44 GLY H H 44 7.839 8.246 -0.407 1
1 353 . 3 1 1 A 44 44 GLY HA2 H 44 2.380 4.051 -1.671 1
1 354 . 3 1 1 A 44 44 GLY HA3 H 44 3.940 4.182 -0.242 1
1 355 . 3 1 1 A 44 44 GLY N N 44 105.145 105.929 -0.784 1
1 356 . 3 1 1 A 45 45 LEU H H 45 8.579 7.887 0.692 1
1 357 . 3 1 1 A 45 45 LEU HA H 45 4.906 4.168 0.738 1
1 367 . 3 1 1 A 45 45 LEU N N 45 122.487 120.409 2.078 1
1 368 . 3 1 1 A 46 46 ARG H H 46 8.899 8.584 0.315 1
1 369 . 3 1 1 A 46 46 ARG HA H 46 4.584 4.577 0.007 1
1 374 . 3 1 1 A 46 46 ARG N N 46 123.175 121.745 1.430 1
1 375 . 3 1 1 A 47 47 ARG H H 47 8.330 8.267 0.063 1
1 376 . 3 1 1 A 47 47 ARG HA H 47 4.429 4.265 0.164 1
1 381 . 3 1 1 A 47 47 ARG N N 47 120.447 121.118 -0.671 1
1 382 . 3 1 1 A 48 48 LEU H H 48 8.348 8.271 0.077 1
1 383 . 3 1 1 A 48 48 LEU HA H 48 4.458 4.506 -0.048 1
1 393 . 3 1 1 A 48 48 LEU N N 48 124.979 122.444 2.535 1
1 394 . 3 1 1 A 49 49 ALA H H 49 7.975 8.550 -0.575 1
1 395 . 3 1 1 A 49 49 ALA HA H 49 4.176 4.190 -0.014 1
1 399 . 3 1 1 A 49 49 ALA N N 49 130.824 124.660 6.164 1
1 400 . 3 1 1 A 50 50 TYR H H 50 8.587 8.262 0.325 1
1 401 . 3 1 1 A 50 50 TYR HA H 50 4.656 4.538 0.118 1
1 404 . 3 1 1 A 50 50 TYR N N 50 122.514 116.146 6.368 1
1 405 . 3 1 1 A 51 51 PRO HA H 51 4.554 4.657 -0.103 1
1 406 . 3 1 1 A 52 52 ILE H H 52 8.262 8.748 -0.486 1
1 407 . 3 1 1 A 52 52 ILE HA H 52 4.182 4.555 -0.373 1
1 414 . 3 1 1 A 52 52 ILE N N 52 121.932 123.640 -1.708 1
1 415 . 3 1 1 A 53 53 ALA H H 53 8.420 9.062 -0.642 1
1 416 . 3 1 1 A 53 53 ALA HA H 53 4.359 3.949 0.410 1
1 420 . 3 1 1 A 53 53 ALA N N 53 128.607 130.431 -1.824 1
1 421 . 3 1 1 A 54 54 LYS H H 54 8.338 8.414 -0.076 1
1 422 . 3 1 1 A 54 54 LYS HA H 54 4.320 3.765 0.555 1
1 427 . 3 1 1 A 54 54 LYS N N 54 120.865 108.748 12.117 1
1 428 . 3 1 1 A 55 55 ASP H H 55 8.242 8.068 0.174 1
1 431 . 3 1 1 A 55 55 ASP N N 55 121.940 118.136 3.804 1
1 432 . 3 1 1 A 56 56 PRO HA H 56 4.541 4.615 -0.074 1
1 433 . 3 1 1 A 57 57 GLN H H 57 8.346 8.548 -0.202 1
1 434 . 3 1 1 A 57 57 GLN HA H 57 5.113 4.593 0.520 1
1 441 . 3 1 1 A 57 57 GLN N N 57 119.306 119.828 -0.522 1
1 443 . 3 1 1 A 58 58 GLY H H 58 8.724 8.346 0.378 1
1 444 . 3 1 1 A 58 58 GLY HA2 H 58 3.594 4.294 -0.700 1
1 445 . 3 1 1 A 58 58 GLY HA3 H 58 4.313 4.344 -0.031 1
1 446 . 3 1 1 A 58 58 GLY N N 58 103.688 107.530 -3.842 1
1 447 . 3 1 1 A 59 59 TYR H H 59 8.941 8.935 0.006 1
1 448 . 3 1 1 A 59 59 TYR HA H 59 4.741 5.358 -0.617 1
1 453 . 3 1 1 A 59 59 TYR N N 59 123.537 121.930 1.607 1
1 454 . 3 1 1 A 60 60 PHE H H 60 9.215 9.444 -0.229 1
1 455 . 3 1 1 A 60 60 PHE HA H 60 5.054 5.242 -0.188 1
1 460 . 3 1 1 A 60 60 PHE N N 60 130.526 123.144 7.382 1
1 461 . 3 1 1 A 61 61 LEU H H 61 9.388 9.206 0.182 1
1 462 . 3 1 1 A 61 61 LEU HA H 61 5.047 5.434 -0.387 1
1 472 . 3 1 1 A 61 61 LEU N N 61 123.595 123.771 -0.176 1
1 473 . 3 1 1 A 62 62 TRP H H 62 8.752 8.872 -0.120 1
1 474 . 3 1 1 A 62 62 TRP HA H 62 5.554 5.718 -0.164 1
1 481 . 3 1 1 A 62 62 TRP N N 62 125.081 126.966 -1.885 1
1 483 . 3 1 1 A 63 63 TYR H H 63 8.592 9.185 -0.593 1
1 484 . 3 1 1 A 63 63 TYR HA H 63 4.972 4.705 0.267 1
1 491 . 3 1 1 A 63 63 TYR N N 63 123.346 126.561 -3.215 1
1 492 . 3 1 1 A 64 64 GLN H H 64 8.604 9.373 -0.769 1
1 493 . 3 1 1 A 64 64 GLN HA H 64 4.866 4.770 0.096 1
1 500 . 3 1 1 A 64 64 GLN N N 64 123.079 121.345 1.734 1
1 502 . 3 1 1 A 65 65 VAL H H 65 9.204 9.164 0.040 1
1 503 . 3 1 1 A 65 65 VAL HA H 65 5.672 5.144 0.528 1
1 511 . 3 1 1 A 65 65 VAL N N 65 119.156 117.828 1.328 1
1 512 . 3 1 1 A 66 66 GLU H H 66 8.635 8.676 -0.041 1
1 513 . 3 1 1 A 66 66 GLU HA H 66 5.333 4.829 0.504 1
1 518 . 3 1 1 A 66 66 GLU N N 66 121.502 120.496 1.006 1
1 519 . 3 1 1 A 67 67 MET H H 67 9.480 7.725 1.755 1
1 520 . 3 1 1 A 67 67 MET N N 67 122.258 120.266 1.992 1
1 521 . 3 1 1 A 68 68 PRO HA H 68 4.562 4.641 -0.079 1
1 522 . 3 1 1 A 69 69 GLU H H 69 10.059 8.796 1.263 1
1 523 . 3 1 1 A 69 69 GLU HA H 69 4.442 3.879 0.563 1
1 528 . 3 1 1 A 69 69 GLU N N 69 126.845 121.931 4.914 1
1 529 . 3 1 1 A 70 70 ASP H H 70 8.763 8.053 0.710 1
1 530 . 3 1 1 A 70 70 ASP HA H 70 4.568 4.428 0.140 1
1 533 . 3 1 1 A 70 70 ASP N N 70 115.710 121.136 -5.426 1
1 534 . 3 1 1 A 71 71 ARG H H 71 7.679 7.851 -0.172 1
1 535 . 3 1 1 A 71 71 ARG HA H 71 4.853 4.119 0.734 1
1 536 . 3 1 1 A 71 71 ARG N N 71 116.513 118.442 -1.929 1
1 537 . 3 1 1 A 72 72 VAL H H 72 6.949 7.658 -0.709 1
1 538 . 3 1 1 A 72 72 VAL HA H 72 3.287 3.637 -0.350 1
1 546 . 3 1 1 A 72 72 VAL N N 72 119.962 119.469 0.493 1
1 547 . 3 1 1 A 73 73 ASN H H 73 8.292 8.306 -0.014 1
1 548 . 3 1 1 A 73 73 ASN HA H 73 4.378 4.369 0.009 1
1 553 . 3 1 1 A 73 73 ASN N N 73 117.910 119.450 -1.540 1
1 555 . 3 1 1 A 74 74 ASP H H 74 7.985 8.061 -0.076 1
1 556 . 3 1 1 A 74 74 ASP HA H 74 4.325 4.284 0.041 1
1 559 . 3 1 1 A 74 74 ASP N N 74 121.962 120.143 1.819 1
1 560 . 3 1 1 A 75 75 LEU H H 75 7.519 7.877 -0.358 1
1 561 . 3 1 1 A 75 75 LEU HA H 75 3.060 3.758 -0.698 1
1 570 . 3 1 1 A 75 75 LEU N N 75 122.206 120.818 1.388 1
1 571 . 3 1 1 A 76 76 ALA H H 76 7.936 8.316 -0.380 1
1 572 . 3 1 1 A 76 76 ALA HA H 76 3.582 3.951 -0.369 1
1 576 . 3 1 1 A 76 76 ALA N N 76 119.529 120.893 -1.364 1
1 577 . 3 1 1 A 77 77 ARG H H 77 7.619 8.065 -0.446 1
1 578 . 3 1 1 A 77 77 ARG HA H 77 3.852 4.115 -0.263 1
1 585 . 3 1 1 A 77 77 ARG N N 77 115.626 117.862 -2.236 1
1 586 . 3 1 1 A 78 78 GLU H H 78 7.739 7.565 0.174 1
1 587 . 3 1 1 A 78 78 GLU HA H 78 4.000 4.043 -0.043 1
1 592 . 3 1 1 A 78 78 GLU N N 78 119.427 120.216 -0.789 1
1 593 . 3 1 1 A 79 79 LEU H H 79 8.183 7.922 0.261 1
1 594 . 3 1 1 A 79 79 LEU HA H 79 4.033 3.900 0.133 1
1 603 . 3 1 1 A 79 79 LEU N N 79 117.433 120.428 -2.995 1
1 604 . 3 1 1 A 80 80 ARG H H 80 7.546 7.708 -0.162 1
1 605 . 3 1 1 A 80 80 ARG HA H 80 3.960 4.062 -0.102 1
1 610 . 3 1 1 A 80 80 ARG N N 80 113.295 119.072 -5.777 1
1 611 . 3 1 1 A 81 81 ILE H H 81 7.280 7.586 -0.306 1
1 612 . 3 1 1 A 81 81 ILE HA H 81 3.987 4.103 -0.116 1
1 622 . 3 1 1 A 81 81 ILE N N 81 115.559 118.089 -2.530 1
1 623 . 3 1 1 A 82 82 ARG H H 82 6.846 7.492 -0.646 1
1 624 . 3 1 1 A 82 82 ARG HA H 82 4.231 4.218 0.013 1
1 631 . 3 1 1 A 82 82 ARG N N 82 119.695 123.637 -3.942 1
1 632 . 3 1 1 A 83 83 ASP H H 83 8.502 8.835 -0.333 1
1 633 . 3 1 1 A 83 83 ASP HA H 83 4.346 4.325 0.021 1
1 636 . 3 1 1 A 83 83 ASP N N 83 123.697 124.621 -0.924 1
1 637 . 3 1 1 A 84 84 ASN H H 84 8.883 7.880 1.003 1
1 638 . 3 1 1 A 84 84 ASN HA H 84 4.822 4.738 0.084 1
1 643 . 3 1 1 A 84 84 ASN N N 84 112.236 115.266 -3.030 1
1 645 . 3 1 1 A 85 85 VAL H H 85 7.800 7.499 0.301 1
1 646 . 3 1 1 A 85 85 VAL HA H 85 4.048 4.069 -0.021 1
1 654 . 3 1 1 A 85 85 VAL N N 85 122.112 120.231 1.881 1
1 655 . 3 1 1 A 86 86 ARG H H 86 9.285 8.683 0.602 1
1 656 . 3 1 1 A 86 86 ARG HA H 86 4.432 4.566 -0.134 1
1 657 . 3 1 1 A 86 86 ARG N N 86 126.445 128.915 -2.470 1
1 658 . 3 1 1 A 87 87 ARG H H 87 7.671 7.683 -0.012 1
1 659 . 3 1 1 A 87 87 ARG HA H 87 4.556 4.764 -0.208 1
1 666 . 3 1 1 A 87 87 ARG N N 87 116.855 120.025 -3.170 1
1 667 . 3 1 1 A 88 88 VAL H H 88 8.904 8.663 0.241 1
1 668 . 3 1 1 A 88 88 VAL HA H 88 4.834 4.857 -0.023 1
1 676 . 3 1 1 A 88 88 VAL N N 88 123.751 119.224 4.527 1
1 677 . 3 1 1 A 89 89 MET H H 89 9.119 9.122 -0.003 1
1 678 . 3 1 1 A 89 89 MET HA H 89 4.869 5.231 -0.362 1
1 683 . 3 1 1 A 89 89 MET N N 89 127.251 126.772 0.479 1
1 684 . 3 1 1 A 90 90 VAL H H 90 9.007 9.036 -0.029 1
1 685 . 3 1 1 A 90 90 VAL HA H 90 4.962 4.882 0.080 1
1 693 . 3 1 1 A 90 90 VAL N N 90 127.769 126.279 1.490 1
1 694 . 3 1 1 A 91 91 VAL H H 91 9.195 9.006 0.189 1
1 695 . 3 1 1 A 91 91 VAL HA H 91 4.660 4.906 -0.246 1
1 703 . 3 1 1 A 91 91 VAL N N 91 126.267 124.020 2.247 1
1 704 . 3 1 1 A 92 92 LYS H H 92 8.914 8.503 0.411 1
1 705 . 3 1 1 A 92 92 LYS HA H 92 4.124 4.357 -0.233 1
1 712 . 3 1 1 A 92 92 LYS N N 92 126.996 125.260 1.736 1
1 713 . 3 1 1 A 93 93 SER H H 93 8.046 8.470 -0.424 1
1 714 . 3 1 1 A 93 93 SER HA H 93 4.396 4.558 -0.162 1
1 717 . 3 1 1 A 93 93 SER N N 93 120.732 119.544 1.188 1
1 718 . 3 1 1 A 94 94 GLN H H 94 8.806 8.606 0.200 1
1 719 . 3 1 1 A 94 94 GLN HA H 94 4.316 4.944 -0.628 1
1 726 . 3 1 1 A 94 94 GLN N N 94 124.100 122.338 1.762 1
1 728 . 3 1 1 A 95 95 GLU H H 95 8.481 8.627 -0.146 1
1 729 . 3 1 1 A 95 95 GLU HA H 95 4.579 4.584 -0.005 1
1 734 . 3 1 1 A 95 95 GLU N N 95 124.145 121.110 3.035 1
1 735 . 3 1 1 A 96 96 PRO HA H 96 4.408 4.669 -0.261 1
1 742 . 3 1 1 A 97 97 PHE H H 97 8.234 8.535 -0.301 1
1 743 . 3 1 1 A 97 97 PHE HA H 97 4.647 4.705 -0.058 1
1 748 . 3 1 1 A 97 97 PHE N N 97 120.145 123.251 -3.106 1
1 749 . 3 1 1 A 98 98 LEU H H 98 8.115 7.806 0.309 1
1 750 . 3 1 1 A 98 98 LEU HA H 98 4.368 4.802 -0.434 1
1 759 . 3 1 1 A 98 98 LEU N N 98 125.838 122.323 3.515 1
1 760 . 3 1 1 A 99 99 ALA H H 99 7.765 8.699 -0.934 1
1 761 . 3 1 1 A 99 99 ALA HA H 99 4.074 4.659 -0.585 1
1 2 . 4 1 1 A 2 2 ARG H H 2 8.836 7.322 1.514 1
1 3 . 4 1 1 A 2 2 ARG HA H 2 4.715 4.747 -0.032 1
1 5 . 4 1 1 A 2 2 ARG N N 2 122.718 119.067 3.651 1
1 6 . 4 1 1 A 3 3 ARG H H 3 8.145 8.266 -0.121 1
1 7 . 4 1 1 A 3 3 ARG HA H 3 5.354 5.222 0.132 1
1 11 . 4 1 1 A 3 3 ARG N N 3 121.051 119.774 1.277 1
1 12 . 4 1 1 A 4 4 TYR H H 4 9.186 9.040 0.146 1
1 13 . 4 1 1 A 4 4 TYR HA H 4 5.061 5.246 -0.185 1
1 20 . 4 1 1 A 4 4 TYR N N 4 122.362 122.842 -0.480 1
1 21 . 4 1 1 A 5 5 GLU H H 5 9.357 10.361 -1.004 1
1 22 . 4 1 1 A 5 5 GLU HA H 5 5.006 5.075 -0.069 1
1 27 . 4 1 1 A 5 5 GLU N N 5 119.338 122.129 -2.791 1
1 28 . 4 1 1 A 6 6 VAL H H 6 9.387 8.943 0.444 1
1 29 . 4 1 1 A 6 6 VAL HA H 6 4.481 4.735 -0.254 1
1 37 . 4 1 1 A 6 6 VAL N N 6 124.463 126.576 -2.113 1
1 38 . 4 1 1 A 7 7 ASN H H 7 9.059 9.230 -0.171 1
1 39 . 4 1 1 A 7 7 ASN HA H 7 5.550 5.640 -0.090 1
1 44 . 4 1 1 A 7 7 ASN N N 7 125.802 128.068 -2.266 1
1 46 . 4 1 1 A 8 8 ILE H H 8 9.108 9.067 0.041 1
1 47 . 4 1 1 A 8 8 ILE HA H 8 4.851 5.004 -0.153 1
1 57 . 4 1 1 A 8 8 ILE N N 8 125.010 125.427 -0.417 1
1 58 . 4 1 1 A 9 9 VAL H H 9 8.669 9.231 -0.562 1
1 59 . 4 1 1 A 9 9 VAL HA H 9 4.518 5.020 -0.502 1
1 67 . 4 1 1 A 9 9 VAL N N 9 125.755 128.668 -2.913 1
1 68 . 4 1 1 A 10 10 LEU H H 10 9.855 9.110 0.745 1
1 69 . 4 1 1 A 10 10 LEU HA H 10 5.341 5.014 0.327 1
1 79 . 4 1 1 A 10 10 LEU N N 10 127.024 129.932 -2.908 1
1 80 . 4 1 1 A 11 11 ASN H H 11 8.316 8.619 -0.303 1
1 85 . 4 1 1 A 11 11 ASN N N 11 118.911 120.326 -1.415 1
1 87 . 4 1 1 A 12 12 PRO HA H 12 4.471 4.600 -0.129 1
1 90 . 4 1 1 A 13 13 ASN H H 13 8.316 8.130 0.186 1
1 91 . 4 1 1 A 13 13 ASN HA H 13 4.813 4.681 0.132 1
1 96 . 4 1 1 A 13 13 ASN N N 13 118.703 119.472 -0.769 1
1 98 . 4 1 1 A 14 14 LEU H H 14 7.181 7.525 -0.344 1
1 99 . 4 1 1 A 14 14 LEU HA H 14 4.382 4.252 0.130 1
1 109 . 4 1 1 A 14 14 LEU N N 14 118.890 120.712 -1.822 1
1 110 . 4 1 1 A 15 15 ASP H H 15 8.671 8.617 0.054 1
1 111 . 4 1 1 A 15 15 ASP HA H 15 4.704 4.800 -0.096 1
1 114 . 4 1 1 A 15 15 ASP N N 15 122.145 120.965 1.180 1
1 115 . 4 1 1 A 16 16 GLN H H 16 8.549 8.810 -0.261 1
1 116 . 4 1 1 A 16 16 GLN HA H 16 3.939 3.920 0.019 1
1 123 . 4 1 1 A 16 16 GLN N N 16 116.429 120.441 -4.012 1
1 125 . 4 1 1 A 17 17 SER H H 17 8.352 8.169 0.183 1
1 126 . 4 1 1 A 17 17 SER HA H 17 4.316 4.142 0.174 1
1 129 . 4 1 1 A 17 17 SER N N 17 117.102 117.176 -0.074 1
1 130 . 4 1 1 A 18 18 GLN H H 18 8.683 8.862 -0.179 1
1 131 . 4 1 1 A 18 18 GLN HA H 18 4.065 4.073 -0.008 1
1 138 . 4 1 1 A 18 18 GLN N N 18 124.500 121.018 3.482 1
1 140 . 4 1 1 A 19 19 LEU H H 19 8.792 8.167 0.625 1
1 141 . 4 1 1 A 19 19 LEU HA H 19 3.793 3.942 -0.149 1
1 148 . 4 1 1 A 19 19 LEU N N 19 121.821 121.620 0.201 1
1 149 . 4 1 1 A 20 20 ALA H H 20 7.823 8.704 -0.881 1
1 150 . 4 1 1 A 20 20 ALA HA H 20 4.014 3.976 0.038 1
1 154 . 4 1 1 A 20 20 ALA N N 20 120.183 120.973 -0.790 1
1 155 . 4 1 1 A 21 21 LEU H H 21 7.569 7.451 0.118 1
1 156 . 4 1 1 A 21 21 LEU HA H 21 4.255 3.903 0.352 1
1 166 . 4 1 1 A 21 21 LEU N N 21 119.682 117.176 2.506 1
1 167 . 4 1 1 A 22 22 GLU H H 22 8.076 7.685 0.391 1
1 168 . 4 1 1 A 22 22 GLU HA H 22 4.146 3.954 0.192 1
1 173 . 4 1 1 A 22 22 GLU N N 22 117.135 119.005 -1.870 1
1 174 . 4 1 1 A 23 23 LYS H H 23 8.400 7.514 0.886 1
1 175 . 4 1 1 A 23 23 LYS HA H 23 3.940 3.985 -0.045 1
1 182 . 4 1 1 A 23 23 LYS N N 23 117.328 119.656 -2.328 1
1 183 . 4 1 1 A 24 24 GLU H H 24 8.002 7.837 0.165 1
1 184 . 4 1 1 A 24 24 GLU HA H 24 4.134 4.099 0.035 1
1 189 . 4 1 1 A 24 24 GLU N N 24 121.932 119.577 2.355 1
1 190 . 4 1 1 A 25 25 ILE H H 25 8.124 7.843 0.281 1
1 191 . 4 1 1 A 25 25 ILE HA H 25 3.628 3.701 -0.073 1
1 201 . 4 1 1 A 25 25 ILE N N 25 121.791 120.925 0.866 1
1 202 . 4 1 1 A 26 26 ILE H H 26 8.311 8.674 -0.363 1
1 203 . 4 1 1 A 26 26 ILE HA H 26 3.421 3.721 -0.300 1
1 211 . 4 1 1 A 26 26 ILE N N 26 122.094 120.638 1.456 1
1 212 . 4 1 1 A 27 27 GLN H H 27 8.169 7.849 0.320 1
1 213 . 4 1 1 A 27 27 GLN HA H 27 3.769 3.849 -0.080 1
1 220 . 4 1 1 A 27 27 GLN N N 27 118.606 121.288 -2.682 1
1 222 . 4 1 1 A 28 28 ARG H H 28 8.146 7.490 0.656 1
1 223 . 4 1 1 A 28 28 ARG HA H 28 4.125 4.004 0.121 1
1 230 . 4 1 1 A 28 28 ARG N N 28 118.685 119.303 -0.618 1
1 231 . 4 1 1 A 29 29 ALA H H 29 8.176 7.633 0.543 1
1 232 . 4 1 1 A 29 29 ALA HA H 29 4.318 4.080 0.238 1
1 236 . 4 1 1 A 29 29 ALA N N 29 123.579 122.411 1.168 1
1 237 . 4 1 1 A 30 30 LEU H H 30 8.415 7.875 0.540 1
1 238 . 4 1 1 A 30 30 LEU HA H 30 3.774 3.843 -0.069 1
1 248 . 4 1 1 A 30 30 LEU N N 30 116.873 119.134 -2.261 1
1 249 . 4 1 1 A 31 31 GLU H H 31 7.865 7.757 0.108 1
1 250 . 4 1 1 A 31 31 GLU HA H 31 4.172 4.047 0.125 1
1 255 . 4 1 1 A 31 31 GLU N N 31 117.422 119.235 -1.813 1
1 256 . 4 1 1 A 32 32 ASN H H 32 8.715 8.163 0.552 1
1 257 . 4 1 1 A 32 32 ASN HA H 32 4.434 4.479 -0.045 1
1 262 . 4 1 1 A 32 32 ASN N N 32 120.768 118.272 2.496 1
1 264 . 4 1 1 A 33 33 TYR H H 33 7.882 7.789 0.093 1
1 265 . 4 1 1 A 33 33 TYR HA H 33 4.321 4.481 -0.160 1
1 272 . 4 1 1 A 33 33 TYR N N 33 117.207 120.468 -3.261 1
1 273 . 4 1 1 A 34 34 GLY H H 34 7.668 8.534 -0.866 1
1 274 . 4 1 1 A 34 34 GLY HA2 H 34 3.796 3.772 0.024 1
1 275 . 4 1 1 A 34 34 GLY HA3 H 34 4.037 3.921 0.116 1
1 276 . 4 1 1 A 34 34 GLY N N 34 104.268 108.632 -4.364 1
1 277 . 4 1 1 A 35 35 ALA H H 35 8.373 7.682 0.691 1
1 278 . 4 1 1 A 35 35 ALA HA H 35 4.955 4.827 0.128 1
1 282 . 4 1 1 A 35 35 ALA N N 35 120.534 123.217 -2.683 1
1 283 . 4 1 1 A 36 36 ARG H H 36 9.073 9.085 -0.012 1
1 284 . 4 1 1 A 36 36 ARG HA H 36 4.582 5.042 -0.460 1
1 289 . 4 1 1 A 36 36 ARG N N 36 123.245 122.795 0.450 1
1 290 . 4 1 1 A 37 37 VAL H H 37 9.105 8.723 0.382 1
1 291 . 4 1 1 A 37 37 VAL HA H 37 4.011 5.085 -1.074 1
1 299 . 4 1 1 A 37 37 VAL N N 37 126.869 123.211 3.658 1
1 300 . 4 1 1 A 38 38 GLU H H 38 9.217 9.257 -0.040 1
1 301 . 4 1 1 A 38 38 GLU HA H 38 4.395 4.320 0.075 1
1 306 . 4 1 1 A 38 38 GLU N N 38 129.074 127.300 1.774 1
1 307 . 4 1 1 A 39 39 LYS H H 39 7.822 7.467 0.355 1
1 308 . 4 1 1 A 39 39 LYS HA H 39 4.672 4.875 -0.203 1
1 315 . 4 1 1 A 39 39 LYS N N 39 116.882 118.054 -1.172 1
1 316 . 4 1 1 A 40 40 VAL H H 40 8.412 8.799 -0.387 1
1 317 . 4 1 1 A 40 40 VAL HA H 40 4.892 4.385 0.507 1
1 325 . 4 1 1 A 40 40 VAL N N 40 121.731 121.666 0.065 1
1 326 . 4 1 1 A 41 41 GLU H H 41 9.523 8.690 0.833 1
1 327 . 4 1 1 A 41 41 GLU HA H 41 4.688 5.027 -0.339 1
1 332 . 4 1 1 A 41 41 GLU N N 41 126.064 130.166 -4.102 1
1 333 . 4 1 1 A 42 42 GLU H H 42 9.049 8.598 0.451 1
1 334 . 4 1 1 A 42 42 GLU HA H 42 4.658 4.794 -0.136 1
1 339 . 4 1 1 A 42 42 GLU N N 42 126.962 125.083 1.879 1
1 340 . 4 1 1 A 43 43 LEU H H 43 7.887 8.939 -1.052 1
1 341 . 4 1 1 A 43 43 LEU HA H 43 4.252 4.245 0.007 1
1 351 . 4 1 1 A 43 43 LEU N N 43 126.929 124.903 2.026 1
1 352 . 4 1 1 A 44 44 GLY H H 44 7.839 7.769 0.070 1
1 353 . 4 1 1 A 44 44 GLY HA2 H 44 2.380 3.334 -0.954 1
1 354 . 4 1 1 A 44 44 GLY HA3 H 44 3.940 3.809 0.131 1
1 355 . 4 1 1 A 44 44 GLY N N 44 105.145 106.661 -1.516 1
1 356 . 4 1 1 A 45 45 LEU H H 45 8.579 7.490 1.089 1
1 357 . 4 1 1 A 45 45 LEU HA H 45 4.906 4.133 0.773 1
1 367 . 4 1 1 A 45 45 LEU N N 45 122.487 120.579 1.908 1
1 368 . 4 1 1 A 46 46 ARG H H 46 8.899 8.649 0.250 1
1 369 . 4 1 1 A 46 46 ARG HA H 46 4.584 4.748 -0.164 1
1 374 . 4 1 1 A 46 46 ARG N N 46 123.175 122.175 1.000 1
1 375 . 4 1 1 A 47 47 ARG H H 47 8.330 8.384 -0.054 1
1 376 . 4 1 1 A 47 47 ARG HA H 47 4.429 4.486 -0.057 1
1 381 . 4 1 1 A 47 47 ARG N N 47 120.447 122.144 -1.697 1
1 382 . 4 1 1 A 48 48 LEU H H 48 8.348 8.506 -0.158 1
1 383 . 4 1 1 A 48 48 LEU HA H 48 4.458 4.296 0.162 1
1 393 . 4 1 1 A 48 48 LEU N N 48 124.979 126.387 -1.408 1
1 394 . 4 1 1 A 49 49 ALA H H 49 7.975 8.553 -0.578 1
1 395 . 4 1 1 A 49 49 ALA HA H 49 4.176 4.505 -0.329 1
1 399 . 4 1 1 A 49 49 ALA N N 49 130.824 126.707 4.117 1
1 400 . 4 1 1 A 50 50 TYR H H 50 8.587 8.736 -0.149 1
1 401 . 4 1 1 A 50 50 TYR HA H 50 4.656 4.521 0.135 1
1 404 . 4 1 1 A 50 50 TYR N N 50 122.514 116.656 5.858 1
1 405 . 4 1 1 A 51 51 PRO HA H 51 4.554 4.602 -0.048 1
1 406 . 4 1 1 A 52 52 ILE H H 52 8.262 8.657 -0.395 1
1 407 . 4 1 1 A 52 52 ILE HA H 52 4.182 4.441 -0.259 1
1 414 . 4 1 1 A 52 52 ILE N N 52 121.932 123.348 -1.416 1
1 415 . 4 1 1 A 53 53 ALA H H 53 8.420 8.677 -0.257 1
1 416 . 4 1 1 A 53 53 ALA HA H 53 4.359 3.922 0.437 1
1 420 . 4 1 1 A 53 53 ALA N N 53 128.607 125.378 3.229 1
1 421 . 4 1 1 A 54 54 LYS H H 54 8.338 8.444 -0.106 1
1 422 . 4 1 1 A 54 54 LYS HA H 54 4.320 4.554 -0.234 1
1 427 . 4 1 1 A 54 54 LYS N N 54 120.865 121.670 -0.805 1
1 428 . 4 1 1 A 55 55 ASP H H 55 8.242 7.770 0.472 1
1 431 . 4 1 1 A 55 55 ASP N N 55 121.940 122.496 -0.556 1
1 432 . 4 1 1 A 56 56 PRO HA H 56 4.541 4.757 -0.216 1
1 433 . 4 1 1 A 57 57 GLN H H 57 8.346 8.327 0.019 1
1 434 . 4 1 1 A 57 57 GLN HA H 57 5.113 4.378 0.735 1
1 441 . 4 1 1 A 57 57 GLN N N 57 119.306 118.913 0.393 1
1 443 . 4 1 1 A 58 58 GLY H H 58 8.724 8.518 0.206 1
1 444 . 4 1 1 A 58 58 GLY HA2 H 58 3.594 4.163 -0.569 1
1 445 . 4 1 1 A 58 58 GLY HA3 H 58 4.313 4.164 0.149 1
1 446 . 4 1 1 A 58 58 GLY N N 58 103.688 107.660 -3.972 1
1 447 . 4 1 1 A 59 59 TYR H H 59 8.941 8.723 0.218 1
1 448 . 4 1 1 A 59 59 TYR HA H 59 4.741 5.245 -0.504 1
1 453 . 4 1 1 A 59 59 TYR N N 59 123.537 122.559 0.978 1
1 454 . 4 1 1 A 60 60 PHE H H 60 9.215 8.982 0.233 1
1 455 . 4 1 1 A 60 60 PHE HA H 60 5.054 5.387 -0.333 1
1 460 . 4 1 1 A 60 60 PHE N N 60 130.526 130.754 -0.228 1
1 461 . 4 1 1 A 61 61 LEU H H 61 9.388 8.993 0.395 1
1 462 . 4 1 1 A 61 61 LEU HA H 61 5.047 4.969 0.078 1
1 472 . 4 1 1 A 61 61 LEU N N 61 123.595 122.561 1.034 1
1 473 . 4 1 1 A 62 62 TRP H H 62 8.752 8.551 0.201 1
1 474 . 4 1 1 A 62 62 TRP HA H 62 5.554 5.404 0.150 1
1 481 . 4 1 1 A 62 62 TRP N N 62 125.081 125.030 0.051 1
1 483 . 4 1 1 A 63 63 TYR H H 63 8.592 8.793 -0.201 1
1 484 . 4 1 1 A 63 63 TYR HA H 63 4.972 4.648 0.324 1
1 491 . 4 1 1 A 63 63 TYR N N 63 123.346 125.539 -2.193 1
1 492 . 4 1 1 A 64 64 GLN H H 64 8.604 8.158 0.446 1
1 493 . 4 1 1 A 64 64 GLN HA H 64 4.866 4.488 0.378 1
1 500 . 4 1 1 A 64 64 GLN N N 64 123.079 121.317 1.762 1
1 502 . 4 1 1 A 65 65 VAL H H 65 9.204 9.006 0.198 1
1 503 . 4 1 1 A 65 65 VAL HA H 65 5.672 5.506 0.166 1
1 511 . 4 1 1 A 65 65 VAL N N 65 119.156 118.279 0.877 1
1 512 . 4 1 1 A 66 66 GLU H H 66 8.635 8.750 -0.115 1
1 513 . 4 1 1 A 66 66 GLU HA H 66 5.333 4.990 0.343 1
1 518 . 4 1 1 A 66 66 GLU N N 66 121.502 122.296 -0.794 1
1 519 . 4 1 1 A 67 67 MET H H 67 9.480 8.134 1.346 1
1 520 . 4 1 1 A 67 67 MET N N 67 122.258 122.158 0.100 1
1 521 . 4 1 1 A 68 68 PRO HA H 68 4.562 4.671 -0.109 1
1 522 . 4 1 1 A 69 69 GLU H H 69 10.059 9.122 0.937 1
1 523 . 4 1 1 A 69 69 GLU HA H 69 4.442 3.978 0.464 1
1 528 . 4 1 1 A 69 69 GLU N N 69 126.845 121.857 4.988 1
1 529 . 4 1 1 A 70 70 ASP H H 70 8.763 7.927 0.836 1
1 530 . 4 1 1 A 70 70 ASP HA H 70 4.568 4.415 0.153 1
1 533 . 4 1 1 A 70 70 ASP N N 70 115.710 119.712 -4.002 1
1 534 . 4 1 1 A 71 71 ARG H H 71 7.679 7.996 -0.317 1
1 535 . 4 1 1 A 71 71 ARG HA H 71 4.853 4.138 0.715 1
1 536 . 4 1 1 A 71 71 ARG N N 71 116.513 118.688 -2.175 1
1 537 . 4 1 1 A 72 72 VAL H H 72 6.949 7.845 -0.896 1
1 538 . 4 1 1 A 72 72 VAL HA H 72 3.287 3.663 -0.376 1
1 546 . 4 1 1 A 72 72 VAL N N 72 119.962 119.534 0.428 1
1 547 . 4 1 1 A 73 73 ASN H H 73 8.292 7.907 0.385 1
1 548 . 4 1 1 A 73 73 ASN HA H 73 4.378 4.387 -0.009 1
1 553 . 4 1 1 A 73 73 ASN N N 73 117.910 119.458 -1.548 1
1 555 . 4 1 1 A 74 74 ASP H H 74 7.985 8.076 -0.091 1
1 556 . 4 1 1 A 74 74 ASP HA H 74 4.325 4.346 -0.021 1
1 559 . 4 1 1 A 74 74 ASP N N 74 121.962 120.172 1.790 1
1 560 . 4 1 1 A 75 75 LEU H H 75 7.519 8.045 -0.526 1
1 561 . 4 1 1 A 75 75 LEU HA H 75 3.060 3.817 -0.757 1
1 570 . 4 1 1 A 75 75 LEU N N 75 122.206 120.681 1.525 1
1 571 . 4 1 1 A 76 76 ALA H H 76 7.936 8.233 -0.297 1
1 572 . 4 1 1 A 76 76 ALA HA H 76 3.582 3.940 -0.358 1
1 576 . 4 1 1 A 76 76 ALA N N 76 119.529 121.033 -1.504 1
1 577 . 4 1 1 A 77 77 ARG H H 77 7.619 8.157 -0.538 1
1 578 . 4 1 1 A 77 77 ARG HA H 77 3.852 4.120 -0.268 1
1 585 . 4 1 1 A 77 77 ARG N N 77 115.626 118.008 -2.382 1
1 586 . 4 1 1 A 78 78 GLU H H 78 7.739 8.144 -0.405 1
1 587 . 4 1 1 A 78 78 GLU HA H 78 4.000 4.066 -0.066 1
1 592 . 4 1 1 A 78 78 GLU N N 78 119.427 118.278 1.149 1
1 593 . 4 1 1 A 79 79 LEU H H 79 8.183 8.311 -0.128 1
1 594 . 4 1 1 A 79 79 LEU HA H 79 4.033 3.953 0.080 1
1 603 . 4 1 1 A 79 79 LEU N N 79 117.433 120.654 -3.221 1
1 604 . 4 1 1 A 80 80 ARG H H 80 7.546 8.071 -0.525 1
1 605 . 4 1 1 A 80 80 ARG HA H 80 3.960 4.046 -0.086 1
1 610 . 4 1 1 A 80 80 ARG N N 80 113.295 119.822 -6.527 1
1 611 . 4 1 1 A 81 81 ILE H H 81 7.280 7.641 -0.361 1
1 612 . 4 1 1 A 81 81 ILE HA H 81 3.987 3.741 0.246 1
1 622 . 4 1 1 A 81 81 ILE N N 81 115.559 118.705 -3.146 1
1 623 . 4 1 1 A 82 82 ARG H H 82 6.846 7.541 -0.695 1
1 624 . 4 1 1 A 82 82 ARG HA H 82 4.231 4.376 -0.145 1
1 631 . 4 1 1 A 82 82 ARG N N 82 119.695 120.295 -0.600 1
1 632 . 4 1 1 A 83 83 ASP H H 83 8.502 9.160 -0.658 1
1 633 . 4 1 1 A 83 83 ASP HA H 83 4.346 4.272 0.074 1
1 636 . 4 1 1 A 83 83 ASP N N 83 123.697 121.798 1.899 1
1 637 . 4 1 1 A 84 84 ASN H H 84 8.883 8.212 0.671 1
1 638 . 4 1 1 A 84 84 ASN HA H 84 4.822 4.561 0.261 1
1 643 . 4 1 1 A 84 84 ASN N N 84 112.236 116.594 -4.358 1
1 645 . 4 1 1 A 85 85 VAL H H 85 7.800 7.648 0.152 1
1 646 . 4 1 1 A 85 85 VAL HA H 85 4.048 4.215 -0.167 1
1 654 . 4 1 1 A 85 85 VAL N N 85 122.112 118.966 3.146 1
1 655 . 4 1 1 A 86 86 ARG H H 86 9.285 8.955 0.330 1
1 656 . 4 1 1 A 86 86 ARG HA H 86 4.432 4.462 -0.030 1
1 657 . 4 1 1 A 86 86 ARG N N 86 126.445 126.908 -0.463 1
1 658 . 4 1 1 A 87 87 ARG H H 87 7.671 7.675 -0.004 1
1 659 . 4 1 1 A 87 87 ARG HA H 87 4.556 4.907 -0.351 1
1 666 . 4 1 1 A 87 87 ARG N N 87 116.855 117.345 -0.490 1
1 667 . 4 1 1 A 88 88 VAL H H 88 8.904 8.635 0.269 1
1 668 . 4 1 1 A 88 88 VAL HA H 88 4.834 4.888 -0.054 1
1 676 . 4 1 1 A 88 88 VAL N N 88 123.751 117.909 5.842 1
1 677 . 4 1 1 A 89 89 MET H H 89 9.119 8.728 0.391 1
1 678 . 4 1 1 A 89 89 MET HA H 89 4.869 5.168 -0.299 1
1 683 . 4 1 1 A 89 89 MET N N 89 127.251 124.745 2.506 1
1 684 . 4 1 1 A 90 90 VAL H H 90 9.007 8.962 0.045 1
1 685 . 4 1 1 A 90 90 VAL HA H 90 4.962 5.067 -0.105 1
1 693 . 4 1 1 A 90 90 VAL N N 90 127.769 125.844 1.925 1
1 694 . 4 1 1 A 91 91 VAL H H 91 9.195 9.219 -0.024 1
1 695 . 4 1 1 A 91 91 VAL HA H 91 4.660 4.770 -0.110 1
1 703 . 4 1 1 A 91 91 VAL N N 91 126.267 129.549 -3.282 1
1 704 . 4 1 1 A 92 92 LYS H H 92 8.914 8.383 0.531 1
1 705 . 4 1 1 A 92 92 LYS HA H 92 4.124 4.351 -0.227 1
1 712 . 4 1 1 A 92 92 LYS N N 92 126.996 124.663 2.333 1
1 713 . 4 1 1 A 93 93 SER H H 93 8.046 8.406 -0.360 1
1 714 . 4 1 1 A 93 93 SER HA H 93 4.396 5.027 -0.631 1
1 717 . 4 1 1 A 93 93 SER N N 93 120.732 116.149 4.583 1
1 718 . 4 1 1 A 94 94 GLN H H 94 8.806 8.943 -0.137 1
1 719 . 4 1 1 A 94 94 GLN HA H 94 4.316 5.200 -0.884 1
1 726 . 4 1 1 A 94 94 GLN N N 94 124.100 121.309 2.791 1
1 728 . 4 1 1 A 95 95 GLU H H 95 8.481 8.727 -0.246 1
1 729 . 4 1 1 A 95 95 GLU HA H 95 4.579 4.988 -0.409 1
1 734 . 4 1 1 A 95 95 GLU N N 95 124.145 122.159 1.986 1
1 735 . 4 1 1 A 96 96 PRO HA H 96 4.408 4.655 -0.247 1
1 742 . 4 1 1 A 97 97 PHE H H 97 8.234 8.505 -0.271 1
1 743 . 4 1 1 A 97 97 PHE HA H 97 4.647 4.984 -0.337 1
1 748 . 4 1 1 A 97 97 PHE N N 97 120.145 121.990 -1.845 1
1 749 . 4 1 1 A 98 98 LEU H H 98 8.115 8.862 -0.747 1
1 750 . 4 1 1 A 98 98 LEU HA H 98 4.368 5.050 -0.682 1
1 759 . 4 1 1 A 98 98 LEU N N 98 125.838 119.482 6.356 1
1 760 . 4 1 1 A 99 99 ALA H H 99 7.765 8.756 -0.991 1
1 761 . 4 1 1 A 99 99 ALA HA H 99 4.074 4.563 -0.489 1
1 2 . 5 1 1 A 2 2 ARG H H 2 8.836 7.544 1.292 1
1 3 . 5 1 1 A 2 2 ARG HA H 2 4.715 4.597 0.118 1
1 5 . 5 1 1 A 2 2 ARG N N 2 122.718 117.529 5.189 1
1 6 . 5 1 1 A 3 3 ARG H H 3 8.145 8.329 -0.184 1
1 7 . 5 1 1 A 3 3 ARG HA H 3 5.354 5.243 0.111 1
1 11 . 5 1 1 A 3 3 ARG N N 3 121.051 123.471 -2.420 1
1 12 . 5 1 1 A 4 4 TYR H H 4 9.186 8.904 0.282 1
1 13 . 5 1 1 A 4 4 TYR HA H 4 5.061 5.194 -0.133 1
1 20 . 5 1 1 A 4 4 TYR N N 4 122.362 119.888 2.474 1
1 21 . 5 1 1 A 5 5 GLU H H 5 9.357 8.526 0.831 1
1 22 . 5 1 1 A 5 5 GLU HA H 5 5.006 4.981 0.025 1
1 27 . 5 1 1 A 5 5 GLU N N 5 119.338 120.079 -0.741 1
1 28 . 5 1 1 A 6 6 VAL H H 6 9.387 7.877 1.510 1
1 29 . 5 1 1 A 6 6 VAL HA H 6 4.481 5.046 -0.565 1
1 37 . 5 1 1 A 6 6 VAL N N 6 124.463 122.739 1.724 1
1 38 . 5 1 1 A 7 7 ASN H H 7 9.059 8.556 0.503 1
1 39 . 5 1 1 A 7 7 ASN HA H 7 5.550 6.046 -0.496 1
1 44 . 5 1 1 A 7 7 ASN N N 7 125.802 124.908 0.894 1
1 46 . 5 1 1 A 8 8 ILE H H 8 9.108 8.913 0.195 1
1 47 . 5 1 1 A 8 8 ILE HA H 8 4.851 4.698 0.153 1
1 57 . 5 1 1 A 8 8 ILE N N 8 125.010 125.800 -0.790 1
1 58 . 5 1 1 A 9 9 VAL H H 9 8.669 9.014 -0.345 1
1 59 . 5 1 1 A 9 9 VAL HA H 9 4.518 5.165 -0.647 1
1 67 . 5 1 1 A 9 9 VAL N N 9 125.755 129.117 -3.362 1
1 68 . 5 1 1 A 10 10 LEU H H 10 9.855 8.972 0.883 1
1 69 . 5 1 1 A 10 10 LEU HA H 10 5.341 5.341 0.000 1
1 79 . 5 1 1 A 10 10 LEU N N 10 127.024 123.757 3.267 1
1 80 . 5 1 1 A 11 11 ASN H H 11 8.316 8.804 -0.488 1
1 85 . 5 1 1 A 11 11 ASN N N 11 118.911 118.295 0.616 1
1 87 . 5 1 1 A 12 12 PRO HA H 12 4.471 4.617 -0.146 1
1 90 . 5 1 1 A 13 13 ASN H H 13 8.316 8.150 0.166 1
1 91 . 5 1 1 A 13 13 ASN HA H 13 4.813 4.658 0.155 1
1 96 . 5 1 1 A 13 13 ASN N N 13 118.703 119.477 -0.774 1
1 98 . 5 1 1 A 14 14 LEU H H 14 7.181 7.513 -0.332 1
1 99 . 5 1 1 A 14 14 LEU HA H 14 4.382 4.187 0.195 1
1 109 . 5 1 1 A 14 14 LEU N N 14 118.890 120.646 -1.756 1
1 110 . 5 1 1 A 15 15 ASP H H 15 8.671 8.652 0.019 1
1 111 . 5 1 1 A 15 15 ASP HA H 15 4.704 4.837 -0.133 1
1 114 . 5 1 1 A 15 15 ASP N N 15 122.145 121.174 0.971 1
1 115 . 5 1 1 A 16 16 GLN H H 16 8.549 8.568 -0.019 1
1 116 . 5 1 1 A 16 16 GLN HA H 16 3.939 3.905 0.034 1
1 123 . 5 1 1 A 16 16 GLN N N 16 116.429 118.052 -1.623 1
1 125 . 5 1 1 A 17 17 SER H H 17 8.352 8.409 -0.057 1
1 126 . 5 1 1 A 17 17 SER HA H 17 4.316 4.151 0.165 1
1 129 . 5 1 1 A 17 17 SER N N 17 117.102 114.188 2.914 1
1 130 . 5 1 1 A 18 18 GLN H H 18 8.683 9.115 -0.432 1
1 131 . 5 1 1 A 18 18 GLN HA H 18 4.065 4.040 0.025 1
1 138 . 5 1 1 A 18 18 GLN N N 18 124.500 121.814 2.686 1
1 140 . 5 1 1 A 19 19 LEU H H 19 8.792 8.065 0.727 1
1 141 . 5 1 1 A 19 19 LEU HA H 19 3.793 3.972 -0.179 1
1 148 . 5 1 1 A 19 19 LEU N N 19 121.821 121.744 0.077 1
1 149 . 5 1 1 A 20 20 ALA H H 20 7.823 8.603 -0.780 1
1 150 . 5 1 1 A 20 20 ALA HA H 20 4.014 3.953 0.061 1
1 154 . 5 1 1 A 20 20 ALA N N 20 120.183 120.780 -0.597 1
1 155 . 5 1 1 A 21 21 LEU H H 21 7.569 7.443 0.126 1
1 156 . 5 1 1 A 21 21 LEU HA H 21 4.255 3.903 0.352 1
1 166 . 5 1 1 A 21 21 LEU N N 21 119.682 117.303 2.379 1
1 167 . 5 1 1 A 22 22 GLU H H 22 8.076 8.217 -0.141 1
1 168 . 5 1 1 A 22 22 GLU HA H 22 4.146 4.033 0.113 1
1 173 . 5 1 1 A 22 22 GLU N N 22 117.135 121.298 -4.163 1
1 174 . 5 1 1 A 23 23 LYS H H 23 8.400 7.672 0.728 1
1 175 . 5 1 1 A 23 23 LYS HA H 23 3.940 4.030 -0.090 1
1 182 . 5 1 1 A 23 23 LYS N N 23 117.328 119.308 -1.980 1
1 183 . 5 1 1 A 24 24 GLU H H 24 8.002 7.535 0.467 1
1 184 . 5 1 1 A 24 24 GLU HA H 24 4.134 4.085 0.049 1
1 189 . 5 1 1 A 24 24 GLU N N 24 121.932 119.477 2.455 1
1 190 . 5 1 1 A 25 25 ILE H H 25 8.124 7.814 0.310 1
1 191 . 5 1 1 A 25 25 ILE HA H 25 3.628 3.675 -0.047 1
1 201 . 5 1 1 A 25 25 ILE N N 25 121.791 120.489 1.302 1
1 202 . 5 1 1 A 26 26 ILE H H 26 8.311 8.264 0.047 1
1 203 . 5 1 1 A 26 26 ILE HA H 26 3.421 3.764 -0.343 1
1 211 . 5 1 1 A 26 26 ILE N N 26 122.094 120.711 1.383 1
1 212 . 5 1 1 A 27 27 GLN H H 27 8.169 7.737 0.432 1
1 213 . 5 1 1 A 27 27 GLN HA H 27 3.769 3.863 -0.094 1
1 220 . 5 1 1 A 27 27 GLN N N 27 118.606 121.595 -2.989 1
1 222 . 5 1 1 A 28 28 ARG H H 28 8.146 7.719 0.427 1
1 223 . 5 1 1 A 28 28 ARG HA H 28 4.125 4.017 0.108 1
1 230 . 5 1 1 A 28 28 ARG N N 28 118.685 120.152 -1.467 1
1 231 . 5 1 1 A 29 29 ALA H H 29 8.176 7.483 0.693 1
1 232 . 5 1 1 A 29 29 ALA HA H 29 4.318 4.128 0.190 1
1 236 . 5 1 1 A 29 29 ALA N N 29 123.579 121.937 1.642 1
1 237 . 5 1 1 A 30 30 LEU H H 30 8.415 7.753 0.662 1
1 238 . 5 1 1 A 30 30 LEU HA H 30 3.774 3.891 -0.117 1
1 248 . 5 1 1 A 30 30 LEU N N 30 116.873 118.917 -2.044 1
1 249 . 5 1 1 A 31 31 GLU H H 31 7.865 7.810 0.055 1
1 250 . 5 1 1 A 31 31 GLU HA H 31 4.172 4.007 0.165 1
1 255 . 5 1 1 A 31 31 GLU N N 31 117.422 118.722 -1.300 1
1 256 . 5 1 1 A 32 32 ASN H H 32 8.715 8.102 0.613 1
1 257 . 5 1 1 A 32 32 ASN HA H 32 4.434 4.494 -0.060 1
1 262 . 5 1 1 A 32 32 ASN N N 32 120.768 118.201 2.567 1
1 264 . 5 1 1 A 33 33 TYR H H 33 7.882 7.656 0.226 1
1 265 . 5 1 1 A 33 33 TYR HA H 33 4.321 4.584 -0.263 1
1 272 . 5 1 1 A 33 33 TYR N N 33 117.207 117.569 -0.362 1
1 273 . 5 1 1 A 34 34 GLY H H 34 7.668 8.130 -0.462 1
1 274 . 5 1 1 A 34 34 GLY HA2 H 34 3.796 3.958 -0.162 1
1 275 . 5 1 1 A 34 34 GLY HA3 H 34 4.037 3.963 0.074 1
1 276 . 5 1 1 A 34 34 GLY N N 34 104.268 108.199 -3.931 1
1 277 . 5 1 1 A 35 35 ALA H H 35 8.373 7.977 0.396 1
1 278 . 5 1 1 A 35 35 ALA HA H 35 4.955 4.484 0.471 1
1 282 . 5 1 1 A 35 35 ALA N N 35 120.534 123.443 -2.909 1
1 283 . 5 1 1 A 36 36 ARG H H 36 9.073 8.893 0.180 1
1 284 . 5 1 1 A 36 36 ARG HA H 36 4.582 5.065 -0.483 1
1 289 . 5 1 1 A 36 36 ARG N N 36 123.245 122.724 0.521 1
1 290 . 5 1 1 A 37 37 VAL H H 37 9.105 8.978 0.127 1
1 291 . 5 1 1 A 37 37 VAL HA H 37 4.011 4.249 -0.238 1
1 299 . 5 1 1 A 37 37 VAL N N 37 126.869 124.100 2.769 1
1 300 . 5 1 1 A 38 38 GLU H H 38 9.217 8.908 0.309 1
1 301 . 5 1 1 A 38 38 GLU HA H 38 4.395 4.272 0.123 1
1 306 . 5 1 1 A 38 38 GLU N N 38 129.074 128.617 0.457 1
1 307 . 5 1 1 A 39 39 LYS H H 39 7.822 7.648 0.174 1
1 308 . 5 1 1 A 39 39 LYS HA H 39 4.672 5.037 -0.365 1
1 315 . 5 1 1 A 39 39 LYS N N 39 116.882 117.891 -1.009 1
1 316 . 5 1 1 A 40 40 VAL H H 40 8.412 8.666 -0.254 1
1 317 . 5 1 1 A 40 40 VAL HA H 40 4.892 4.854 0.038 1
1 325 . 5 1 1 A 40 40 VAL N N 40 121.731 121.364 0.367 1
1 326 . 5 1 1 A 41 41 GLU H H 41 9.523 8.824 0.699 1
1 327 . 5 1 1 A 41 41 GLU HA H 41 4.688 4.717 -0.029 1
1 332 . 5 1 1 A 41 41 GLU N N 41 126.064 127.879 -1.815 1
1 333 . 5 1 1 A 42 42 GLU H H 42 9.049 8.612 0.437 1
1 334 . 5 1 1 A 42 42 GLU HA H 42 4.658 4.625 0.033 1
1 339 . 5 1 1 A 42 42 GLU N N 42 126.962 123.399 3.563 1
1 340 . 5 1 1 A 43 43 LEU H H 43 7.887 8.609 -0.722 1
1 341 . 5 1 1 A 43 43 LEU HA H 43 4.252 4.261 -0.009 1
1 351 . 5 1 1 A 43 43 LEU N N 43 126.929 122.082 4.847 1
1 352 . 5 1 1 A 44 44 GLY H H 44 7.839 7.096 0.743 1
1 353 . 5 1 1 A 44 44 GLY HA2 H 44 2.380 4.079 -1.699 1
1 354 . 5 1 1 A 44 44 GLY HA3 H 44 3.940 4.080 -0.140 1
1 355 . 5 1 1 A 44 44 GLY N N 44 105.145 107.418 -2.273 1
1 356 . 5 1 1 A 45 45 LEU H H 45 8.579 8.269 0.310 1
1 357 . 5 1 1 A 45 45 LEU HA H 45 4.906 4.410 0.496 1
1 367 . 5 1 1 A 45 45 LEU N N 45 122.487 121.258 1.229 1
1 368 . 5 1 1 A 46 46 ARG H H 46 8.899 8.496 0.403 1
1 369 . 5 1 1 A 46 46 ARG HA H 46 4.584 4.598 -0.014 1
1 374 . 5 1 1 A 46 46 ARG N N 46 123.175 120.526 2.649 1
1 375 . 5 1 1 A 47 47 ARG H H 47 8.330 8.542 -0.212 1
1 376 . 5 1 1 A 47 47 ARG HA H 47 4.429 4.894 -0.465 1
1 381 . 5 1 1 A 47 47 ARG N N 47 120.447 116.508 3.939 1
1 382 . 5 1 1 A 48 48 LEU H H 48 8.348 8.751 -0.403 1
1 383 . 5 1 1 A 48 48 LEU HA H 48 4.458 4.572 -0.114 1
1 393 . 5 1 1 A 48 48 LEU N N 48 124.979 123.770 1.209 1
1 394 . 5 1 1 A 49 49 ALA H H 49 7.975 8.806 -0.831 1
1 395 . 5 1 1 A 49 49 ALA HA H 49 4.176 4.756 -0.580 1
1 399 . 5 1 1 A 49 49 ALA N N 49 130.824 128.426 2.398 1
1 400 . 5 1 1 A 50 50 TYR H H 50 8.587 9.110 -0.523 1
1 401 . 5 1 1 A 50 50 TYR HA H 50 4.656 4.166 0.490 1
1 404 . 5 1 1 A 50 50 TYR N N 50 122.514 119.721 2.793 1
1 405 . 5 1 1 A 51 51 PRO HA H 51 4.554 4.643 -0.089 1
1 406 . 5 1 1 A 52 52 ILE H H 52 8.262 8.527 -0.265 1
1 407 . 5 1 1 A 52 52 ILE HA H 52 4.182 4.970 -0.788 1
1 414 . 5 1 1 A 52 52 ILE N N 52 121.932 123.041 -1.109 1
1 415 . 5 1 1 A 53 53 ALA H H 53 8.420 8.716 -0.296 1
1 416 . 5 1 1 A 53 53 ALA HA H 53 4.359 4.329 0.030 1
1 420 . 5 1 1 A 53 53 ALA N N 53 128.607 126.463 2.144 1
1 421 . 5 1 1 A 54 54 LYS H H 54 8.338 8.127 0.211 1
1 422 . 5 1 1 A 54 54 LYS HA H 54 4.320 4.518 -0.198 1
1 427 . 5 1 1 A 54 54 LYS N N 54 120.865 114.504 6.361 1
1 428 . 5 1 1 A 55 55 ASP H H 55 8.242 7.768 0.474 1
1 431 . 5 1 1 A 55 55 ASP N N 55 121.940 122.190 -0.250 1
1 432 . 5 1 1 A 56 56 PRO HA H 56 4.541 4.795 -0.254 1
1 433 . 5 1 1 A 57 57 GLN H H 57 8.346 8.945 -0.599 1
1 434 . 5 1 1 A 57 57 GLN HA H 57 5.113 4.498 0.615 1
1 441 . 5 1 1 A 57 57 GLN N N 57 119.306 120.490 -1.184 1
1 443 . 5 1 1 A 58 58 GLY H H 58 8.724 7.984 0.740 1
1 444 . 5 1 1 A 58 58 GLY HA2 H 58 3.594 4.157 -0.563 1
1 445 . 5 1 1 A 58 58 GLY HA3 H 58 4.313 4.171 0.142 1
1 446 . 5 1 1 A 58 58 GLY N N 58 103.688 107.667 -3.979 1
1 447 . 5 1 1 A 59 59 TYR H H 59 8.941 8.724 0.217 1
1 448 . 5 1 1 A 59 59 TYR HA H 59 4.741 5.166 -0.425 1
1 453 . 5 1 1 A 59 59 TYR N N 59 123.537 122.228 1.309 1
1 454 . 5 1 1 A 60 60 PHE H H 60 9.215 8.395 0.820 1
1 455 . 5 1 1 A 60 60 PHE HA H 60 5.054 6.005 -0.951 1
1 460 . 5 1 1 A 60 60 PHE N N 60 130.526 122.771 7.755 1
1 461 . 5 1 1 A 61 61 LEU H H 61 9.388 9.106 0.282 1
1 462 . 5 1 1 A 61 61 LEU HA H 61 5.047 5.128 -0.081 1
1 472 . 5 1 1 A 61 61 LEU N N 61 123.595 119.259 4.336 1
1 473 . 5 1 1 A 62 62 TRP H H 62 8.752 8.867 -0.115 1
1 474 . 5 1 1 A 62 62 TRP HA H 62 5.554 5.545 0.009 1
1 481 . 5 1 1 A 62 62 TRP N N 62 125.081 124.362 0.719 1
1 483 . 5 1 1 A 63 63 TYR H H 63 8.592 8.020 0.572 1
1 484 . 5 1 1 A 63 63 TYR HA H 63 4.972 5.337 -0.365 1
1 491 . 5 1 1 A 63 63 TYR N N 63 123.346 122.588 0.758 1
1 492 . 5 1 1 A 64 64 GLN H H 64 8.604 8.424 0.180 1
1 493 . 5 1 1 A 64 64 GLN HA H 64 4.866 4.659 0.207 1
1 500 . 5 1 1 A 64 64 GLN N N 64 123.079 119.122 3.957 1
1 502 . 5 1 1 A 65 65 VAL H H 65 9.204 8.509 0.695 1
1 503 . 5 1 1 A 65 65 VAL HA H 65 5.672 5.192 0.480 1
1 511 . 5 1 1 A 65 65 VAL N N 65 119.156 117.975 1.181 1
1 512 . 5 1 1 A 66 66 GLU H H 66 8.635 8.432 0.203 1
1 513 . 5 1 1 A 66 66 GLU HA H 66 5.333 4.744 0.589 1
1 518 . 5 1 1 A 66 66 GLU N N 66 121.502 122.375 -0.873 1
1 519 . 5 1 1 A 67 67 MET H H 67 9.480 8.053 1.427 1
1 520 . 5 1 1 A 67 67 MET N N 67 122.258 122.833 -0.575 1
1 521 . 5 1 1 A 68 68 PRO HA H 68 4.562 4.670 -0.108 1
1 522 . 5 1 1 A 69 69 GLU H H 69 10.059 8.837 1.222 1
1 523 . 5 1 1 A 69 69 GLU HA H 69 4.442 4.211 0.231 1
1 528 . 5 1 1 A 69 69 GLU N N 69 126.845 121.423 5.422 1
1 529 . 5 1 1 A 70 70 ASP H H 70 8.763 8.306 0.457 1
1 530 . 5 1 1 A 70 70 ASP HA H 70 4.568 4.433 0.135 1
1 533 . 5 1 1 A 70 70 ASP N N 70 115.710 119.000 -3.290 1
1 534 . 5 1 1 A 71 71 ARG H H 71 7.679 7.953 -0.274 1
1 535 . 5 1 1 A 71 71 ARG HA H 71 4.853 4.124 0.729 1
1 536 . 5 1 1 A 71 71 ARG N N 71 116.513 119.096 -2.583 1
1 537 . 5 1 1 A 72 72 VAL H H 72 6.949 7.816 -0.867 1
1 538 . 5 1 1 A 72 72 VAL HA H 72 3.287 3.650 -0.363 1
1 546 . 5 1 1 A 72 72 VAL N N 72 119.962 119.667 0.295 1
1 547 . 5 1 1 A 73 73 ASN H H 73 8.292 7.737 0.555 1
1 548 . 5 1 1 A 73 73 ASN HA H 73 4.378 4.393 -0.015 1
1 553 . 5 1 1 A 73 73 ASN N N 73 117.910 119.591 -1.681 1
1 555 . 5 1 1 A 74 74 ASP H H 74 7.985 7.673 0.312 1
1 556 . 5 1 1 A 74 74 ASP HA H 74 4.325 4.357 -0.032 1
1 559 . 5 1 1 A 74 74 ASP N N 74 121.962 119.571 2.391 1
1 560 . 5 1 1 A 75 75 LEU H H 75 7.519 8.047 -0.528 1
1 561 . 5 1 1 A 75 75 LEU HA H 75 3.060 3.840 -0.780 1
1 570 . 5 1 1 A 75 75 LEU N N 75 122.206 119.257 2.949 1
1 571 . 5 1 1 A 76 76 ALA H H 76 7.936 8.002 -0.066 1
1 572 . 5 1 1 A 76 76 ALA HA H 76 3.582 3.947 -0.365 1
1 576 . 5 1 1 A 76 76 ALA N N 76 119.529 122.266 -2.737 1
1 577 . 5 1 1 A 77 77 ARG H H 77 7.619 7.762 -0.143 1
1 578 . 5 1 1 A 77 77 ARG HA H 77 3.852 4.049 -0.197 1
1 585 . 5 1 1 A 77 77 ARG N N 77 115.626 118.518 -2.892 1
1 586 . 5 1 1 A 78 78 GLU H H 78 7.739 7.498 0.241 1
1 587 . 5 1 1 A 78 78 GLU HA H 78 4.000 4.072 -0.072 1
1 592 . 5 1 1 A 78 78 GLU N N 78 119.427 118.876 0.551 1
1 593 . 5 1 1 A 79 79 LEU H H 79 8.183 8.084 0.099 1
1 594 . 5 1 1 A 79 79 LEU HA H 79 4.033 3.911 0.122 1
1 603 . 5 1 1 A 79 79 LEU N N 79 117.433 120.519 -3.086 1
1 604 . 5 1 1 A 80 80 ARG H H 80 7.546 7.719 -0.173 1
1 605 . 5 1 1 A 80 80 ARG HA H 80 3.960 4.117 -0.157 1
1 610 . 5 1 1 A 80 80 ARG N N 80 113.295 118.275 -4.980 1
1 611 . 5 1 1 A 81 81 ILE H H 81 7.280 7.400 -0.120 1
1 612 . 5 1 1 A 81 81 ILE HA H 81 3.987 4.127 -0.140 1
1 622 . 5 1 1 A 81 81 ILE N N 81 115.559 117.671 -2.112 1
1 623 . 5 1 1 A 82 82 ARG H H 82 6.846 7.235 -0.389 1
1 624 . 5 1 1 A 82 82 ARG HA H 82 4.231 4.206 0.025 1
1 631 . 5 1 1 A 82 82 ARG N N 82 119.695 123.426 -3.731 1
1 632 . 5 1 1 A 83 83 ASP H H 83 8.502 8.916 -0.414 1
1 633 . 5 1 1 A 83 83 ASP HA H 83 4.346 4.328 0.018 1
1 636 . 5 1 1 A 83 83 ASP N N 83 123.697 125.119 -1.422 1
1 637 . 5 1 1 A 84 84 ASN H H 84 8.883 8.217 0.666 1
1 638 . 5 1 1 A 84 84 ASN HA H 84 4.822 4.580 0.242 1
1 643 . 5 1 1 A 84 84 ASN N N 84 112.236 116.009 -3.773 1
1 645 . 5 1 1 A 85 85 VAL H H 85 7.800 7.671 0.129 1
1 646 . 5 1 1 A 85 85 VAL HA H 85 4.048 4.305 -0.257 1
1 654 . 5 1 1 A 85 85 VAL N N 85 122.112 119.146 2.966 1
1 655 . 5 1 1 A 86 86 ARG H H 86 9.285 8.725 0.560 1
1 656 . 5 1 1 A 86 86 ARG HA H 86 4.432 4.322 0.110 1
1 657 . 5 1 1 A 86 86 ARG N N 86 126.445 128.672 -2.227 1
1 658 . 5 1 1 A 87 87 ARG H H 87 7.671 7.705 -0.034 1
1 659 . 5 1 1 A 87 87 ARG HA H 87 4.556 4.764 -0.208 1
1 666 . 5 1 1 A 87 87 ARG N N 87 116.855 118.757 -1.902 1
1 667 . 5 1 1 A 88 88 VAL H H 88 8.904 8.633 0.271 1
1 668 . 5 1 1 A 88 88 VAL HA H 88 4.834 4.871 -0.037 1
1 676 . 5 1 1 A 88 88 VAL N N 88 123.751 123.784 -0.033 1
1 677 . 5 1 1 A 89 89 MET H H 89 9.119 8.985 0.134 1
1 678 . 5 1 1 A 89 89 MET HA H 89 4.869 5.143 -0.274 1
1 683 . 5 1 1 A 89 89 MET N N 89 127.251 128.225 -0.974 1
1 684 . 5 1 1 A 90 90 VAL H H 90 9.007 8.994 0.013 1
1 685 . 5 1 1 A 90 90 VAL HA H 90 4.962 4.705 0.257 1
1 693 . 5 1 1 A 90 90 VAL N N 90 127.769 126.468 1.301 1
1 694 . 5 1 1 A 91 91 VAL H H 91 9.195 8.965 0.230 1
1 695 . 5 1 1 A 91 91 VAL HA H 91 4.660 4.715 -0.055 1
1 703 . 5 1 1 A 91 91 VAL N N 91 126.267 127.876 -1.609 1
1 704 . 5 1 1 A 92 92 LYS H H 92 8.914 8.263 0.651 1
1 705 . 5 1 1 A 92 92 LYS HA H 92 4.124 4.676 -0.552 1
1 712 . 5 1 1 A 92 92 LYS N N 92 126.996 124.613 2.383 1
1 713 . 5 1 1 A 93 93 SER H H 93 8.046 8.335 -0.289 1
1 714 . 5 1 1 A 93 93 SER HA H 93 4.396 4.604 -0.208 1
1 717 . 5 1 1 A 93 93 SER N N 93 120.732 116.707 4.025 1
1 718 . 5 1 1 A 94 94 GLN H H 94 8.806 8.480 0.326 1
1 719 . 5 1 1 A 94 94 GLN HA H 94 4.316 4.328 -0.012 1
1 726 . 5 1 1 A 94 94 GLN N N 94 124.100 122.247 1.853 1
1 728 . 5 1 1 A 95 95 GLU H H 95 8.481 8.489 -0.008 1
1 729 . 5 1 1 A 95 95 GLU HA H 95 4.579 4.777 -0.198 1
1 734 . 5 1 1 A 95 95 GLU N N 95 124.145 120.893 3.252 1
1 735 . 5 1 1 A 96 96 PRO HA H 96 4.408 4.776 -0.368 1
1 742 . 5 1 1 A 97 97 PHE H H 97 8.234 8.662 -0.428 1
1 743 . 5 1 1 A 97 97 PHE HA H 97 4.647 4.736 -0.089 1
1 748 . 5 1 1 A 97 97 PHE N N 97 120.145 122.729 -2.584 1
1 749 . 5 1 1 A 98 98 LEU H H 98 8.115 8.004 0.111 1
1 750 . 5 1 1 A 98 98 LEU HA H 98 4.368 4.145 0.223 1
1 759 . 5 1 1 A 98 98 LEU N N 98 125.838 125.908 -0.070 1
1 760 . 5 1 1 A 99 99 ALA H H 99 7.765 8.731 -0.966 1
1 761 . 5 1 1 A 99 99 ALA HA H 99 4.074 4.715 -0.641 1
1 2 . 6 1 1 A 2 2 ARG H H 2 8.836 7.967 0.869 1
1 3 . 6 1 1 A 2 2 ARG HA H 2 4.715 4.501 0.214 1
1 5 . 6 1 1 A 2 2 ARG N N 2 122.718 119.576 3.142 1
1 6 . 6 1 1 A 3 3 ARG H H 3 8.145 8.264 -0.119 1
1 7 . 6 1 1 A 3 3 ARG HA H 3 5.354 5.404 -0.050 1
1 11 . 6 1 1 A 3 3 ARG N N 3 121.051 119.782 1.269 1
1 12 . 6 1 1 A 4 4 TYR H H 4 9.186 9.003 0.183 1
1 13 . 6 1 1 A 4 4 TYR HA H 4 5.061 5.065 -0.004 1
1 20 . 6 1 1 A 4 4 TYR N N 4 122.362 121.468 0.894 1
1 21 . 6 1 1 A 5 5 GLU H H 5 9.357 8.758 0.599 1
1 22 . 6 1 1 A 5 5 GLU HA H 5 5.006 4.553 0.453 1
1 27 . 6 1 1 A 5 5 GLU N N 5 119.338 119.247 0.091 1
1 28 . 6 1 1 A 6 6 VAL H H 6 9.387 8.618 0.769 1
1 29 . 6 1 1 A 6 6 VAL HA H 6 4.481 4.359 0.122 1
1 37 . 6 1 1 A 6 6 VAL N N 6 124.463 124.523 -0.060 1
1 38 . 6 1 1 A 7 7 ASN H H 7 9.059 8.828 0.231 1
1 39 . 6 1 1 A 7 7 ASN HA H 7 5.550 4.907 0.643 1
1 44 . 6 1 1 A 7 7 ASN N N 7 125.802 125.689 0.113 1
1 46 . 6 1 1 A 8 8 ILE H H 8 9.108 8.746 0.362 1
1 47 . 6 1 1 A 8 8 ILE HA H 8 4.851 4.829 0.022 1
1 57 . 6 1 1 A 8 8 ILE N N 8 125.010 124.057 0.953 1
1 58 . 6 1 1 A 9 9 VAL H H 9 8.669 9.122 -0.453 1
1 59 . 6 1 1 A 9 9 VAL HA H 9 4.518 5.018 -0.500 1
1 67 . 6 1 1 A 9 9 VAL N N 9 125.755 128.457 -2.702 1
1 68 . 6 1 1 A 10 10 LEU H H 10 9.855 9.205 0.650 1
1 69 . 6 1 1 A 10 10 LEU HA H 10 5.341 4.980 0.361 1
1 79 . 6 1 1 A 10 10 LEU N N 10 127.024 129.760 -2.736 1
1 80 . 6 1 1 A 11 11 ASN H H 11 8.316 8.795 -0.479 1
1 85 . 6 1 1 A 11 11 ASN N N 11 118.911 120.504 -1.593 1
1 87 . 6 1 1 A 12 12 PRO HA H 12 4.471 4.547 -0.076 1
1 90 . 6 1 1 A 13 13 ASN H H 13 8.316 8.231 0.085 1
1 91 . 6 1 1 A 13 13 ASN HA H 13 4.813 4.531 0.282 1
1 96 . 6 1 1 A 13 13 ASN N N 13 118.703 119.541 -0.838 1
1 98 . 6 1 1 A 14 14 LEU H H 14 7.181 7.498 -0.317 1
1 99 . 6 1 1 A 14 14 LEU HA H 14 4.382 4.294 0.088 1
1 109 . 6 1 1 A 14 14 LEU N N 14 118.890 120.713 -1.823 1
1 110 . 6 1 1 A 15 15 ASP H H 15 8.671 8.604 0.067 1
1 111 . 6 1 1 A 15 15 ASP HA H 15 4.704 4.805 -0.101 1
1 114 . 6 1 1 A 15 15 ASP N N 15 122.145 121.065 1.080 1
1 115 . 6 1 1 A 16 16 GLN H H 16 8.549 8.593 -0.044 1
1 116 . 6 1 1 A 16 16 GLN HA H 16 3.939 3.914 0.025 1
1 123 . 6 1 1 A 16 16 GLN N N 16 116.429 117.825 -1.396 1
1 125 . 6 1 1 A 17 17 SER H H 17 8.352 8.179 0.173 1
1 126 . 6 1 1 A 17 17 SER HA H 17 4.316 4.156 0.160 1
1 129 . 6 1 1 A 17 17 SER N N 17 117.102 116.309 0.793 1
1 130 . 6 1 1 A 18 18 GLN H H 18 8.683 9.194 -0.511 1
1 131 . 6 1 1 A 18 18 GLN HA H 18 4.065 4.044 0.021 1
1 138 . 6 1 1 A 18 18 GLN N N 18 124.500 121.219 3.281 1
1 140 . 6 1 1 A 19 19 LEU H H 19 8.792 8.156 0.636 1
1 141 . 6 1 1 A 19 19 LEU HA H 19 3.793 4.195 -0.402 1
1 148 . 6 1 1 A 19 19 LEU N N 19 121.821 122.070 -0.249 1
1 149 . 6 1 1 A 20 20 ALA H H 20 7.823 8.057 -0.234 1
1 150 . 6 1 1 A 20 20 ALA HA H 20 4.014 3.970 0.044 1
1 154 . 6 1 1 A 20 20 ALA N N 20 120.183 120.587 -0.404 1
1 155 . 6 1 1 A 21 21 LEU H H 21 7.569 7.670 -0.101 1
1 156 . 6 1 1 A 21 21 LEU HA H 21 4.255 3.920 0.335 1
1 166 . 6 1 1 A 21 21 LEU N N 21 119.682 117.271 2.411 1
1 167 . 6 1 1 A 22 22 GLU H H 22 8.076 7.956 0.120 1
1 168 . 6 1 1 A 22 22 GLU HA H 22 4.146 3.970 0.176 1
1 173 . 6 1 1 A 22 22 GLU N N 22 117.135 118.622 -1.487 1
1 174 . 6 1 1 A 23 23 LYS H H 23 8.400 7.710 0.690 1
1 175 . 6 1 1 A 23 23 LYS HA H 23 3.940 3.978 -0.038 1
1 182 . 6 1 1 A 23 23 LYS N N 23 117.328 120.346 -3.018 1
1 183 . 6 1 1 A 24 24 GLU H H 24 8.002 8.117 -0.115 1
1 184 . 6 1 1 A 24 24 GLU HA H 24 4.134 4.137 -0.003 1
1 189 . 6 1 1 A 24 24 GLU N N 24 121.932 118.841 3.091 1
1 190 . 6 1 1 A 25 25 ILE H H 25 8.124 7.704 0.420 1
1 191 . 6 1 1 A 25 25 ILE HA H 25 3.628 3.677 -0.049 1
1 201 . 6 1 1 A 25 25 ILE N N 25 121.791 120.208 1.583 1
1 202 . 6 1 1 A 26 26 ILE H H 26 8.311 7.960 0.351 1
1 203 . 6 1 1 A 26 26 ILE HA H 26 3.421 3.509 -0.088 1
1 211 . 6 1 1 A 26 26 ILE N N 26 122.094 120.780 1.314 1
1 212 . 6 1 1 A 27 27 GLN H H 27 8.169 8.155 0.014 1
1 213 . 6 1 1 A 27 27 GLN HA H 27 3.769 3.924 -0.155 1
1 220 . 6 1 1 A 27 27 GLN N N 27 118.606 118.198 0.408 1
1 222 . 6 1 1 A 28 28 ARG H H 28 8.146 7.835 0.311 1
1 223 . 6 1 1 A 28 28 ARG HA H 28 4.125 4.064 0.061 1
1 230 . 6 1 1 A 28 28 ARG N N 28 118.685 118.800 -0.115 1
1 231 . 6 1 1 A 29 29 ALA H H 29 8.176 8.071 0.105 1
1 232 . 6 1 1 A 29 29 ALA HA H 29 4.318 4.031 0.287 1
1 236 . 6 1 1 A 29 29 ALA N N 29 123.579 122.560 1.019 1
1 237 . 6 1 1 A 30 30 LEU H H 30 8.415 7.946 0.469 1
1 238 . 6 1 1 A 30 30 LEU HA H 30 3.774 3.948 -0.174 1
1 248 . 6 1 1 A 30 30 LEU N N 30 116.873 117.168 -0.295 1
1 249 . 6 1 1 A 31 31 GLU H H 31 7.865 7.785 0.080 1
1 250 . 6 1 1 A 31 31 GLU HA H 31 4.172 3.983 0.189 1
1 255 . 6 1 1 A 31 31 GLU N N 31 117.422 119.630 -2.208 1
1 256 . 6 1 1 A 32 32 ASN H H 32 8.715 8.131 0.584 1
1 257 . 6 1 1 A 32 32 ASN HA H 32 4.434 4.472 -0.038 1
1 262 . 6 1 1 A 32 32 ASN N N 32 120.768 118.211 2.557 1
1 264 . 6 1 1 A 33 33 TYR H H 33 7.882 7.503 0.379 1
1 265 . 6 1 1 A 33 33 TYR HA H 33 4.321 4.556 -0.235 1
1 272 . 6 1 1 A 33 33 TYR N N 33 117.207 117.019 0.188 1
1 273 . 6 1 1 A 34 34 GLY H H 34 7.668 7.866 -0.198 1
1 274 . 6 1 1 A 34 34 GLY HA2 H 34 3.796 3.925 -0.129 1
1 275 . 6 1 1 A 34 34 GLY HA3 H 34 4.037 3.926 0.111 1
1 276 . 6 1 1 A 34 34 GLY N N 34 104.268 109.005 -4.737 1
1 277 . 6 1 1 A 35 35 ALA H H 35 8.373 7.677 0.696 1
1 278 . 6 1 1 A 35 35 ALA HA H 35 4.955 4.688 0.267 1
1 282 . 6 1 1 A 35 35 ALA N N 35 120.534 122.833 -2.299 1
1 283 . 6 1 1 A 36 36 ARG H H 36 9.073 8.517 0.556 1
1 284 . 6 1 1 A 36 36 ARG HA H 36 4.582 4.952 -0.370 1
1 289 . 6 1 1 A 36 36 ARG N N 36 123.245 122.667 0.578 1
1 290 . 6 1 1 A 37 37 VAL H H 37 9.105 8.662 0.443 1
1 291 . 6 1 1 A 37 37 VAL HA H 37 4.011 4.818 -0.807 1
1 299 . 6 1 1 A 37 37 VAL N N 37 126.869 123.346 3.523 1
1 300 . 6 1 1 A 38 38 GLU H H 38 9.217 9.299 -0.082 1
1 301 . 6 1 1 A 38 38 GLU HA H 38 4.395 4.337 0.058 1
1 306 . 6 1 1 A 38 38 GLU N N 38 129.074 127.670 1.404 1
1 307 . 6 1 1 A 39 39 LYS H H 39 7.822 7.738 0.084 1
1 308 . 6 1 1 A 39 39 LYS HA H 39 4.672 4.956 -0.284 1
1 315 . 6 1 1 A 39 39 LYS N N 39 116.882 119.566 -2.684 1
1 316 . 6 1 1 A 40 40 VAL H H 40 8.412 9.046 -0.634 1
1 317 . 6 1 1 A 40 40 VAL HA H 40 4.892 5.336 -0.444 1
1 325 . 6 1 1 A 40 40 VAL N N 40 121.731 121.907 -0.176 1
1 326 . 6 1 1 A 41 41 GLU H H 41 9.523 8.658 0.865 1
1 327 . 6 1 1 A 41 41 GLU HA H 41 4.688 4.977 -0.289 1
1 332 . 6 1 1 A 41 41 GLU N N 41 126.064 128.714 -2.650 1
1 333 . 6 1 1 A 42 42 GLU H H 42 9.049 8.476 0.573 1
1 334 . 6 1 1 A 42 42 GLU HA H 42 4.658 4.535 0.123 1
1 339 . 6 1 1 A 42 42 GLU N N 42 126.962 123.758 3.204 1
1 340 . 6 1 1 A 43 43 LEU H H 43 7.887 8.448 -0.561 1
1 341 . 6 1 1 A 43 43 LEU HA H 43 4.252 4.693 -0.441 1
1 351 . 6 1 1 A 43 43 LEU N N 43 126.929 123.066 3.863 1
1 352 . 6 1 1 A 44 44 GLY H H 44 7.839 8.544 -0.705 1
1 353 . 6 1 1 A 44 44 GLY HA2 H 44 2.380 3.976 -1.596 1
1 354 . 6 1 1 A 44 44 GLY HA3 H 44 3.940 3.994 -0.054 1
1 355 . 6 1 1 A 44 44 GLY N N 44 105.145 109.507 -4.362 1
1 356 . 6 1 1 A 45 45 LEU H H 45 8.579 8.433 0.146 1
1 357 . 6 1 1 A 45 45 LEU HA H 45 4.906 4.447 0.459 1
1 367 . 6 1 1 A 45 45 LEU N N 45 122.487 123.770 -1.283 1
1 368 . 6 1 1 A 46 46 ARG H H 46 8.899 8.427 0.472 1
1 369 . 6 1 1 A 46 46 ARG HA H 46 4.584 4.352 0.232 1
1 374 . 6 1 1 A 46 46 ARG N N 46 123.175 120.868 2.307 1
1 375 . 6 1 1 A 47 47 ARG H H 47 8.330 8.831 -0.501 1
1 376 . 6 1 1 A 47 47 ARG HA H 47 4.429 3.817 0.612 1
1 381 . 6 1 1 A 47 47 ARG N N 47 120.447 118.525 1.922 1
1 382 . 6 1 1 A 48 48 LEU H H 48 8.348 7.824 0.524 1
1 383 . 6 1 1 A 48 48 LEU HA H 48 4.458 4.362 0.096 1
1 393 . 6 1 1 A 48 48 LEU N N 48 124.979 119.366 5.613 1
1 394 . 6 1 1 A 49 49 ALA H H 49 7.975 8.813 -0.838 1
1 395 . 6 1 1 A 49 49 ALA HA H 49 4.176 4.574 -0.398 1
1 399 . 6 1 1 A 49 49 ALA N N 49 130.824 124.889 5.935 1
1 400 . 6 1 1 A 50 50 TYR H H 50 8.587 8.799 -0.212 1
1 401 . 6 1 1 A 50 50 TYR HA H 50 4.656 4.276 0.380 1
1 404 . 6 1 1 A 50 50 TYR N N 50 122.514 122.578 -0.064 1
1 405 . 6 1 1 A 51 51 PRO HA H 51 4.554 4.508 0.046 1
1 406 . 6 1 1 A 52 52 ILE H H 52 8.262 8.464 -0.202 1
1 407 . 6 1 1 A 52 52 ILE HA H 52 4.182 3.993 0.189 1
1 414 . 6 1 1 A 52 52 ILE N N 52 121.932 122.874 -0.942 1
1 415 . 6 1 1 A 53 53 ALA H H 53 8.420 8.568 -0.148 1
1 416 . 6 1 1 A 53 53 ALA HA H 53 4.359 4.588 -0.229 1
1 420 . 6 1 1 A 53 53 ALA N N 53 128.607 131.173 -2.566 1
1 421 . 6 1 1 A 54 54 LYS H H 54 8.338 7.917 0.421 1
1 422 . 6 1 1 A 54 54 LYS HA H 54 4.320 4.242 0.078 1
1 427 . 6 1 1 A 54 54 LYS N N 54 120.865 118.281 2.584 1
1 428 . 6 1 1 A 55 55 ASP H H 55 8.242 7.515 0.727 1
1 431 . 6 1 1 A 55 55 ASP N N 55 121.940 120.110 1.830 1
1 432 . 6 1 1 A 56 56 PRO HA H 56 4.541 4.427 0.114 1
1 433 . 6 1 1 A 57 57 GLN H H 57 8.346 8.316 0.030 1
1 434 . 6 1 1 A 57 57 GLN HA H 57 5.113 4.340 0.773 1
1 441 . 6 1 1 A 57 57 GLN N N 57 119.306 119.594 -0.288 1
1 443 . 6 1 1 A 58 58 GLY H H 58 8.724 8.088 0.636 1
1 444 . 6 1 1 A 58 58 GLY HA2 H 58 3.594 4.133 -0.539 1
1 445 . 6 1 1 A 58 58 GLY HA3 H 58 4.313 4.171 0.142 1
1 446 . 6 1 1 A 58 58 GLY N N 58 103.688 108.246 -4.558 1
1 447 . 6 1 1 A 59 59 TYR H H 59 8.941 8.624 0.317 1
1 448 . 6 1 1 A 59 59 TYR HA H 59 4.741 5.222 -0.481 1
1 453 . 6 1 1 A 59 59 TYR N N 59 123.537 122.015 1.522 1
1 454 . 6 1 1 A 60 60 PHE H H 60 9.215 9.044 0.171 1
1 455 . 6 1 1 A 60 60 PHE HA H 60 5.054 5.068 -0.014 1
1 460 . 6 1 1 A 60 60 PHE N N 60 130.526 126.948 3.578 1
1 461 . 6 1 1 A 61 61 LEU H H 61 9.388 8.668 0.720 1
1 462 . 6 1 1 A 61 61 LEU HA H 61 5.047 4.979 0.068 1
1 472 . 6 1 1 A 61 61 LEU N N 61 123.595 118.723 4.872 1
1 473 . 6 1 1 A 62 62 TRP H H 62 8.752 8.273 0.479 1
1 474 . 6 1 1 A 62 62 TRP HA H 62 5.554 5.189 0.365 1
1 481 . 6 1 1 A 62 62 TRP N N 62 125.081 125.078 0.003 1
1 483 . 6 1 1 A 63 63 TYR H H 63 8.592 8.614 -0.022 1
1 484 . 6 1 1 A 63 63 TYR HA H 63 4.972 5.223 -0.251 1
1 491 . 6 1 1 A 63 63 TYR N N 63 123.346 126.810 -3.464 1
1 492 . 6 1 1 A 64 64 GLN H H 64 8.604 8.494 0.110 1
1 493 . 6 1 1 A 64 64 GLN HA H 64 4.866 4.471 0.395 1
1 500 . 6 1 1 A 64 64 GLN N N 64 123.079 121.199 1.880 1
1 502 . 6 1 1 A 65 65 VAL H H 65 9.204 8.958 0.246 1
1 503 . 6 1 1 A 65 65 VAL HA H 65 5.672 4.992 0.680 1
1 511 . 6 1 1 A 65 65 VAL N N 65 119.156 117.311 1.845 1
1 512 . 6 1 1 A 66 66 GLU H H 66 8.635 8.635 0.000 1
1 513 . 6 1 1 A 66 66 GLU HA H 66 5.333 4.774 0.559 1
1 518 . 6 1 1 A 66 66 GLU N N 66 121.502 120.439 1.063 1
1 519 . 6 1 1 A 67 67 MET H H 67 9.480 7.766 1.714 1
1 520 . 6 1 1 A 67 67 MET N N 67 122.258 119.361 2.897 1
1 521 . 6 1 1 A 68 68 PRO HA H 68 4.562 4.582 -0.020 1
1 522 . 6 1 1 A 69 69 GLU H H 69 10.059 8.496 1.563 1
1 523 . 6 1 1 A 69 69 GLU HA H 69 4.442 3.507 0.935 1
1 528 . 6 1 1 A 69 69 GLU N N 69 126.845 121.482 5.363 1
1 529 . 6 1 1 A 70 70 ASP H H 70 8.763 8.472 0.291 1
1 530 . 6 1 1 A 70 70 ASP HA H 70 4.568 4.252 0.316 1
1 533 . 6 1 1 A 70 70 ASP N N 70 115.710 120.635 -4.925 1
1 534 . 6 1 1 A 71 71 ARG H H 71 7.679 8.120 -0.441 1
1 535 . 6 1 1 A 71 71 ARG HA H 71 4.853 4.171 0.682 1
1 536 . 6 1 1 A 71 71 ARG N N 71 116.513 118.556 -2.043 1
1 537 . 6 1 1 A 72 72 VAL H H 72 6.949 7.974 -1.025 1
1 538 . 6 1 1 A 72 72 VAL HA H 72 3.287 3.601 -0.314 1
1 546 . 6 1 1 A 72 72 VAL N N 72 119.962 120.438 -0.476 1
1 547 . 6 1 1 A 73 73 ASN H H 73 8.292 8.205 0.087 1
1 548 . 6 1 1 A 73 73 ASN HA H 73 4.378 4.413 -0.035 1
1 553 . 6 1 1 A 73 73 ASN N N 73 117.910 119.401 -1.491 1
1 555 . 6 1 1 A 74 74 ASP H H 74 7.985 8.080 -0.095 1
1 556 . 6 1 1 A 74 74 ASP HA H 74 4.325 4.422 -0.097 1
1 559 . 6 1 1 A 74 74 ASP N N 74 121.962 120.004 1.958 1
1 560 . 6 1 1 A 75 75 LEU H H 75 7.519 8.723 -1.204 1
1 561 . 6 1 1 A 75 75 LEU HA H 75 3.060 3.863 -0.803 1
1 570 . 6 1 1 A 75 75 LEU N N 75 122.206 120.637 1.569 1
1 571 . 6 1 1 A 76 76 ALA H H 76 7.936 8.524 -0.588 1
1 572 . 6 1 1 A 76 76 ALA HA H 76 3.582 3.937 -0.355 1
1 576 . 6 1 1 A 76 76 ALA N N 76 119.529 121.126 -1.597 1
1 577 . 6 1 1 A 77 77 ARG H H 77 7.619 8.053 -0.434 1
1 578 . 6 1 1 A 77 77 ARG HA H 77 3.852 4.030 -0.178 1
1 585 . 6 1 1 A 77 77 ARG N N 77 115.626 117.819 -2.193 1
1 586 . 6 1 1 A 78 78 GLU H H 78 7.739 7.961 -0.222 1
1 587 . 6 1 1 A 78 78 GLU HA H 78 4.000 4.120 -0.120 1
1 592 . 6 1 1 A 78 78 GLU N N 78 119.427 119.432 -0.005 1
1 593 . 6 1 1 A 79 79 LEU H H 79 8.183 8.327 -0.144 1
1 594 . 6 1 1 A 79 79 LEU HA H 79 4.033 4.051 -0.018 1
1 603 . 6 1 1 A 79 79 LEU N N 79 117.433 120.360 -2.927 1
1 604 . 6 1 1 A 80 80 ARG H H 80 7.546 8.924 -1.378 1
1 605 . 6 1 1 A 80 80 ARG HA H 80 3.960 3.984 -0.024 1
1 610 . 6 1 1 A 80 80 ARG N N 80 113.295 119.585 -6.290 1
1 611 . 6 1 1 A 81 81 ILE H H 81 7.280 7.707 -0.427 1
1 612 . 6 1 1 A 81 81 ILE HA H 81 3.987 4.039 -0.052 1
1 622 . 6 1 1 A 81 81 ILE N N 81 115.559 118.600 -3.041 1
1 623 . 6 1 1 A 82 82 ARG H H 82 6.846 7.310 -0.464 1
1 624 . 6 1 1 A 82 82 ARG HA H 82 4.231 4.205 0.026 1
1 631 . 6 1 1 A 82 82 ARG N N 82 119.695 123.261 -3.566 1
1 632 . 6 1 1 A 83 83 ASP H H 83 8.502 9.021 -0.519 1
1 633 . 6 1 1 A 83 83 ASP HA H 83 4.346 4.286 0.060 1
1 636 . 6 1 1 A 83 83 ASP N N 83 123.697 126.254 -2.557 1
1 637 . 6 1 1 A 84 84 ASN H H 84 8.883 7.981 0.902 1
1 638 . 6 1 1 A 84 84 ASN HA H 84 4.822 4.688 0.134 1
1 643 . 6 1 1 A 84 84 ASN N N 84 112.236 116.235 -3.999 1
1 645 . 6 1 1 A 85 85 VAL H H 85 7.800 7.583 0.217 1
1 646 . 6 1 1 A 85 85 VAL HA H 85 4.048 4.135 -0.087 1
1 654 . 6 1 1 A 85 85 VAL N N 85 122.112 119.071 3.041 1
1 655 . 6 1 1 A 86 86 ARG H H 86 9.285 8.521 0.764 1
1 656 . 6 1 1 A 86 86 ARG HA H 86 4.432 4.398 0.034 1
1 657 . 6 1 1 A 86 86 ARG N N 86 126.445 129.179 -2.734 1
1 658 . 6 1 1 A 87 87 ARG H H 87 7.671 7.762 -0.091 1
1 659 . 6 1 1 A 87 87 ARG HA H 87 4.556 4.891 -0.335 1
1 666 . 6 1 1 A 87 87 ARG N N 87 116.855 115.444 1.411 1
1 667 . 6 1 1 A 88 88 VAL H H 88 8.904 8.742 0.162 1
1 668 . 6 1 1 A 88 88 VAL HA H 88 4.834 4.868 -0.034 1
1 676 . 6 1 1 A 88 88 VAL N N 88 123.751 117.437 6.314 1
1 677 . 6 1 1 A 89 89 MET H H 89 9.119 8.375 0.744 1
1 678 . 6 1 1 A 89 89 MET HA H 89 4.869 5.074 -0.205 1
1 683 . 6 1 1 A 89 89 MET N N 89 127.251 125.300 1.951 1
1 684 . 6 1 1 A 90 90 VAL H H 90 9.007 8.912 0.095 1
1 685 . 6 1 1 A 90 90 VAL HA H 90 4.962 4.732 0.230 1
1 693 . 6 1 1 A 90 90 VAL N N 90 127.769 125.935 1.834 1
1 694 . 6 1 1 A 91 91 VAL H H 91 9.195 8.450 0.745 1
1 695 . 6 1 1 A 91 91 VAL HA H 91 4.660 4.937 -0.277 1
1 703 . 6 1 1 A 91 91 VAL N N 91 126.267 125.851 0.416 1
1 704 . 6 1 1 A 92 92 LYS H H 92 8.914 8.349 0.565 1
1 705 . 6 1 1 A 92 92 LYS HA H 92 4.124 4.018 0.106 1
1 712 . 6 1 1 A 92 92 LYS N N 92 126.996 122.946 4.050 1
1 713 . 6 1 1 A 93 93 SER H H 93 8.046 7.821 0.225 1
1 714 . 6 1 1 A 93 93 SER HA H 93 4.396 5.162 -0.766 1
1 717 . 6 1 1 A 93 93 SER N N 93 120.732 116.382 4.350 1
1 718 . 6 1 1 A 94 94 GLN H H 94 8.806 8.671 0.135 1
1 719 . 6 1 1 A 94 94 GLN HA H 94 4.316 4.382 -0.066 1
1 726 . 6 1 1 A 94 94 GLN N N 94 124.100 126.735 -2.635 1
1 728 . 6 1 1 A 95 95 GLU H H 95 8.481 8.717 -0.236 1
1 729 . 6 1 1 A 95 95 GLU HA H 95 4.579 4.733 -0.154 1
1 734 . 6 1 1 A 95 95 GLU N N 95 124.145 122.494 1.651 1
1 735 . 6 1 1 A 96 96 PRO HA H 96 4.408 4.163 0.245 1
1 742 . 6 1 1 A 97 97 PHE H H 97 8.234 7.762 0.472 1
1 743 . 6 1 1 A 97 97 PHE HA H 97 4.647 4.817 -0.170 1
1 748 . 6 1 1 A 97 97 PHE N N 97 120.145 120.076 0.069 1
1 749 . 6 1 1 A 98 98 LEU H H 98 8.115 8.755 -0.640 1
1 750 . 6 1 1 A 98 98 LEU HA H 98 4.368 4.774 -0.406 1
1 759 . 6 1 1 A 98 98 LEU N N 98 125.838 122.340 3.498 1
1 760 . 6 1 1 A 99 99 ALA H H 99 7.765 8.218 -0.453 1
1 761 . 6 1 1 A 99 99 ALA HA H 99 4.074 4.466 -0.392 1
1 2 . 7 1 1 A 2 2 ARG H H 2 8.836 7.898 0.938 1
1 3 . 7 1 1 A 2 2 ARG HA H 2 4.715 4.786 -0.071 1
1 5 . 7 1 1 A 2 2 ARG N N 2 122.718 119.340 3.378 1
1 6 . 7 1 1 A 3 3 ARG H H 3 8.145 8.261 -0.116 1
1 7 . 7 1 1 A 3 3 ARG HA H 3 5.354 5.327 0.027 1
1 11 . 7 1 1 A 3 3 ARG N N 3 121.051 120.964 0.087 1
1 12 . 7 1 1 A 4 4 TYR H H 4 9.186 8.942 0.244 1
1 13 . 7 1 1 A 4 4 TYR HA H 4 5.061 5.150 -0.089 1
1 20 . 7 1 1 A 4 4 TYR N N 4 122.362 121.165 1.197 1
1 21 . 7 1 1 A 5 5 GLU H H 5 9.357 8.716 0.641 1
1 22 . 7 1 1 A 5 5 GLU HA H 5 5.006 4.788 0.218 1
1 27 . 7 1 1 A 5 5 GLU N N 5 119.338 119.934 -0.596 1
1 28 . 7 1 1 A 6 6 VAL H H 6 9.387 8.157 1.230 1
1 29 . 7 1 1 A 6 6 VAL HA H 6 4.481 4.563 -0.082 1
1 37 . 7 1 1 A 6 6 VAL N N 6 124.463 123.112 1.351 1
1 38 . 7 1 1 A 7 7 ASN H H 7 9.059 8.737 0.322 1
1 39 . 7 1 1 A 7 7 ASN HA H 7 5.550 5.271 0.279 1
1 44 . 7 1 1 A 7 7 ASN N N 7 125.802 126.110 -0.308 1
1 46 . 7 1 1 A 8 8 ILE H H 8 9.108 8.764 0.344 1
1 47 . 7 1 1 A 8 8 ILE HA H 8 4.851 4.968 -0.117 1
1 57 . 7 1 1 A 8 8 ILE N N 8 125.010 124.157 0.853 1
1 58 . 7 1 1 A 9 9 VAL H H 9 8.669 9.028 -0.359 1
1 59 . 7 1 1 A 9 9 VAL HA H 9 4.518 4.861 -0.343 1
1 67 . 7 1 1 A 9 9 VAL N N 9 125.755 122.550 3.205 1
1 68 . 7 1 1 A 10 10 LEU H H 10 9.855 8.975 0.880 1
1 69 . 7 1 1 A 10 10 LEU HA H 10 5.341 5.266 0.075 1
1 79 . 7 1 1 A 10 10 LEU N N 10 127.024 125.255 1.769 1
1 80 . 7 1 1 A 11 11 ASN H H 11 8.316 8.768 -0.452 1
1 85 . 7 1 1 A 11 11 ASN N N 11 118.911 119.595 -0.684 1
1 87 . 7 1 1 A 12 12 PRO HA H 12 4.471 4.584 -0.113 1
1 90 . 7 1 1 A 13 13 ASN H H 13 8.316 8.235 0.081 1
1 91 . 7 1 1 A 13 13 ASN HA H 13 4.813 4.806 0.007 1
1 96 . 7 1 1 A 13 13 ASN N N 13 118.703 119.562 -0.859 1
1 98 . 7 1 1 A 14 14 LEU H H 14 7.181 7.243 -0.062 1
1 99 . 7 1 1 A 14 14 LEU HA H 14 4.382 4.940 -0.558 1
1 109 . 7 1 1 A 14 14 LEU N N 14 118.890 116.337 2.553 1
1 110 . 7 1 1 A 15 15 ASP H H 15 8.671 8.556 0.115 1
1 111 . 7 1 1 A 15 15 ASP HA H 15 4.704 4.926 -0.222 1
1 114 . 7 1 1 A 15 15 ASP N N 15 122.145 119.919 2.226 1
1 115 . 7 1 1 A 16 16 GLN H H 16 8.549 8.828 -0.279 1
1 116 . 7 1 1 A 16 16 GLN HA H 16 3.939 3.950 -0.011 1
1 123 . 7 1 1 A 16 16 GLN N N 16 116.429 119.810 -3.381 1
1 125 . 7 1 1 A 17 17 SER H H 17 8.352 8.061 0.291 1
1 126 . 7 1 1 A 17 17 SER HA H 17 4.316 4.129 0.187 1
1 129 . 7 1 1 A 17 17 SER N N 17 117.102 117.228 -0.126 1
1 130 . 7 1 1 A 18 18 GLN H H 18 8.683 8.058 0.625 1
1 131 . 7 1 1 A 18 18 GLN HA H 18 4.065 4.030 0.035 1
1 138 . 7 1 1 A 18 18 GLN N N 18 124.500 121.122 3.378 1
1 140 . 7 1 1 A 19 19 LEU H H 19 8.792 8.028 0.764 1
1 141 . 7 1 1 A 19 19 LEU HA H 19 3.793 4.048 -0.255 1
1 148 . 7 1 1 A 19 19 LEU N N 19 121.821 122.187 -0.366 1
1 149 . 7 1 1 A 20 20 ALA H H 20 7.823 7.953 -0.130 1
1 150 . 7 1 1 A 20 20 ALA HA H 20 4.014 3.990 0.024 1
1 154 . 7 1 1 A 20 20 ALA N N 20 120.183 120.443 -0.260 1
1 155 . 7 1 1 A 21 21 LEU H H 21 7.569 7.642 -0.073 1
1 156 . 7 1 1 A 21 21 LEU HA H 21 4.255 3.920 0.335 1
1 166 . 7 1 1 A 21 21 LEU N N 21 119.682 117.356 2.326 1
1 167 . 7 1 1 A 22 22 GLU H H 22 8.076 8.378 -0.302 1
1 168 . 7 1 1 A 22 22 GLU HA H 22 4.146 4.037 0.109 1
1 173 . 7 1 1 A 22 22 GLU N N 22 117.135 121.153 -4.018 1
1 174 . 7 1 1 A 23 23 LYS H H 23 8.400 7.504 0.896 1
1 175 . 7 1 1 A 23 23 LYS HA H 23 3.940 4.071 -0.131 1
1 182 . 7 1 1 A 23 23 LYS N N 23 117.328 119.692 -2.364 1
1 183 . 7 1 1 A 24 24 GLU H H 24 8.002 7.928 0.074 1
1 184 . 7 1 1 A 24 24 GLU HA H 24 4.134 4.043 0.091 1
1 189 . 7 1 1 A 24 24 GLU N N 24 121.932 119.064 2.868 1
1 190 . 7 1 1 A 25 25 ILE H H 25 8.124 8.048 0.076 1
1 191 . 7 1 1 A 25 25 ILE HA H 25 3.628 3.691 -0.063 1
1 201 . 7 1 1 A 25 25 ILE N N 25 121.791 119.006 2.785 1
1 202 . 7 1 1 A 26 26 ILE H H 26 8.311 8.248 0.063 1
1 203 . 7 1 1 A 26 26 ILE HA H 26 3.421 3.568 -0.147 1
1 211 . 7 1 1 A 26 26 ILE N N 26 122.094 121.520 0.574 1
1 212 . 7 1 1 A 27 27 GLN H H 27 8.169 8.055 0.114 1
1 213 . 7 1 1 A 27 27 GLN HA H 27 3.769 3.954 -0.185 1
1 220 . 7 1 1 A 27 27 GLN N N 27 118.606 119.411 -0.805 1
1 222 . 7 1 1 A 28 28 ARG H H 28 8.146 7.758 0.388 1
1 223 . 7 1 1 A 28 28 ARG HA H 28 4.125 3.998 0.127 1
1 230 . 7 1 1 A 28 28 ARG N N 28 118.685 118.621 0.064 1
1 231 . 7 1 1 A 29 29 ALA H H 29 8.176 8.042 0.134 1
1 232 . 7 1 1 A 29 29 ALA HA H 29 4.318 4.135 0.183 1
1 236 . 7 1 1 A 29 29 ALA N N 29 123.579 122.269 1.310 1
1 237 . 7 1 1 A 30 30 LEU H H 30 8.415 7.892 0.523 1
1 238 . 7 1 1 A 30 30 LEU HA H 30 3.774 3.859 -0.085 1
1 248 . 7 1 1 A 30 30 LEU N N 30 116.873 118.898 -2.025 1
1 249 . 7 1 1 A 31 31 GLU H H 31 7.865 7.918 -0.053 1
1 250 . 7 1 1 A 31 31 GLU HA H 31 4.172 4.015 0.157 1
1 255 . 7 1 1 A 31 31 GLU N N 31 117.422 118.911 -1.489 1
1 256 . 7 1 1 A 32 32 ASN H H 32 8.715 7.920 0.795 1
1 257 . 7 1 1 A 32 32 ASN HA H 32 4.434 4.425 0.009 1
1 262 . 7 1 1 A 32 32 ASN N N 32 120.768 118.180 2.588 1
1 264 . 7 1 1 A 33 33 TYR H H 33 7.882 7.673 0.209 1
1 265 . 7 1 1 A 33 33 TYR HA H 33 4.321 4.468 -0.147 1
1 272 . 7 1 1 A 33 33 TYR N N 33 117.207 119.300 -2.093 1
1 273 . 7 1 1 A 34 34 GLY H H 34 7.668 9.015 -1.347 1
1 274 . 7 1 1 A 34 34 GLY HA2 H 34 3.796 3.895 -0.099 1
1 275 . 7 1 1 A 34 34 GLY HA3 H 34 4.037 3.919 0.118 1
1 276 . 7 1 1 A 34 34 GLY N N 34 104.268 108.727 -4.459 1
1 277 . 7 1 1 A 35 35 ALA H H 35 8.373 7.963 0.410 1
1 278 . 7 1 1 A 35 35 ALA HA H 35 4.955 4.725 0.230 1
1 282 . 7 1 1 A 35 35 ALA N N 35 120.534 122.832 -2.298 1
1 283 . 7 1 1 A 36 36 ARG H H 36 9.073 8.664 0.409 1
1 284 . 7 1 1 A 36 36 ARG HA H 36 4.582 4.849 -0.267 1
1 289 . 7 1 1 A 36 36 ARG N N 36 123.245 121.677 1.568 1
1 290 . 7 1 1 A 37 37 VAL H H 37 9.105 8.961 0.144 1
1 291 . 7 1 1 A 37 37 VAL HA H 37 4.011 4.213 -0.202 1
1 299 . 7 1 1 A 37 37 VAL N N 37 126.869 124.173 2.696 1
1 300 . 7 1 1 A 38 38 GLU H H 38 9.217 8.979 0.238 1
1 301 . 7 1 1 A 38 38 GLU HA H 38 4.395 4.785 -0.390 1
1 306 . 7 1 1 A 38 38 GLU N N 38 129.074 127.518 1.556 1
1 307 . 7 1 1 A 39 39 LYS H H 39 7.822 7.628 0.194 1
1 308 . 7 1 1 A 39 39 LYS HA H 39 4.672 4.782 -0.110 1
1 315 . 7 1 1 A 39 39 LYS N N 39 116.882 118.366 -1.484 1
1 316 . 7 1 1 A 40 40 VAL H H 40 8.412 9.116 -0.704 1
1 317 . 7 1 1 A 40 40 VAL HA H 40 4.892 4.915 -0.023 1
1 325 . 7 1 1 A 40 40 VAL N N 40 121.731 122.980 -1.249 1
1 326 . 7 1 1 A 41 41 GLU H H 41 9.523 9.125 0.398 1
1 327 . 7 1 1 A 41 41 GLU HA H 41 4.688 4.655 0.033 1
1 332 . 7 1 1 A 41 41 GLU N N 41 126.064 128.019 -1.955 1
1 333 . 7 1 1 A 42 42 GLU H H 42 9.049 8.589 0.460 1
1 334 . 7 1 1 A 42 42 GLU HA H 42 4.658 4.531 0.127 1
1 339 . 7 1 1 A 42 42 GLU N N 42 126.962 122.909 4.053 1
1 340 . 7 1 1 A 43 43 LEU H H 43 7.887 8.727 -0.840 1
1 341 . 7 1 1 A 43 43 LEU HA H 43 4.252 4.852 -0.600 1
1 351 . 7 1 1 A 43 43 LEU N N 43 126.929 123.987 2.942 1
1 352 . 7 1 1 A 44 44 GLY H H 44 7.839 9.001 -1.162 1
1 353 . 7 1 1 A 44 44 GLY HA2 H 44 2.380 4.086 -1.706 1
1 354 . 7 1 1 A 44 44 GLY HA3 H 44 3.940 4.100 -0.160 1
1 355 . 7 1 1 A 44 44 GLY N N 44 105.145 110.047 -4.902 1
1 356 . 7 1 1 A 45 45 LEU H H 45 8.579 8.286 0.293 1
1 357 . 7 1 1 A 45 45 LEU HA H 45 4.906 4.121 0.785 1
1 367 . 7 1 1 A 45 45 LEU N N 45 122.487 122.478 0.009 1
1 368 . 7 1 1 A 46 46 ARG H H 46 8.899 8.777 0.122 1
1 369 . 7 1 1 A 46 46 ARG HA H 46 4.584 4.836 -0.252 1
1 374 . 7 1 1 A 46 46 ARG N N 46 123.175 119.244 3.931 1
1 375 . 7 1 1 A 47 47 ARG H H 47 8.330 8.431 -0.101 1
1 376 . 7 1 1 A 47 47 ARG HA H 47 4.429 4.184 0.245 1
1 381 . 7 1 1 A 47 47 ARG N N 47 120.447 124.558 -4.111 1
1 382 . 7 1 1 A 48 48 LEU H H 48 8.348 8.350 -0.002 1
1 383 . 7 1 1 A 48 48 LEU HA H 48 4.458 4.342 0.116 1
1 393 . 7 1 1 A 48 48 LEU N N 48 124.979 122.097 2.882 1
1 394 . 7 1 1 A 49 49 ALA H H 49 7.975 8.338 -0.363 1
1 395 . 7 1 1 A 49 49 ALA HA H 49 4.176 4.465 -0.289 1
1 399 . 7 1 1 A 49 49 ALA N N 49 130.824 122.888 7.936 1
1 400 . 7 1 1 A 50 50 TYR H H 50 8.587 8.498 0.089 1
1 401 . 7 1 1 A 50 50 TYR HA H 50 4.656 4.649 0.007 1
1 404 . 7 1 1 A 50 50 TYR N N 50 122.514 118.849 3.665 1
1 405 . 7 1 1 A 51 51 PRO HA H 51 4.554 4.637 -0.083 1
1 406 . 7 1 1 A 52 52 ILE H H 52 8.262 8.807 -0.545 1
1 407 . 7 1 1 A 52 52 ILE HA H 52 4.182 4.502 -0.320 1
1 414 . 7 1 1 A 52 52 ILE N N 52 121.932 121.275 0.657 1
1 415 . 7 1 1 A 53 53 ALA H H 53 8.420 8.066 0.354 1
1 416 . 7 1 1 A 53 53 ALA HA H 53 4.359 3.983 0.376 1
1 420 . 7 1 1 A 53 53 ALA N N 53 128.607 123.490 5.117 1
1 421 . 7 1 1 A 54 54 LYS H H 54 8.338 8.665 -0.327 1
1 422 . 7 1 1 A 54 54 LYS HA H 54 4.320 4.064 0.256 1
1 427 . 7 1 1 A 54 54 LYS N N 54 120.865 117.873 2.992 1
1 428 . 7 1 1 A 55 55 ASP H H 55 8.242 8.398 -0.156 1
1 431 . 7 1 1 A 55 55 ASP N N 55 121.940 120.355 1.585 1
1 432 . 7 1 1 A 56 56 PRO HA H 56 4.541 4.431 0.110 1
1 433 . 7 1 1 A 57 57 GLN H H 57 8.346 7.948 0.398 1
1 434 . 7 1 1 A 57 57 GLN HA H 57 5.113 4.684 0.429 1
1 441 . 7 1 1 A 57 57 GLN N N 57 119.306 116.713 2.593 1
1 443 . 7 1 1 A 58 58 GLY H H 58 8.724 8.243 0.481 1
1 444 . 7 1 1 A 58 58 GLY HA2 H 58 3.594 4.260 -0.666 1
1 445 . 7 1 1 A 58 58 GLY HA3 H 58 4.313 4.267 0.046 1
1 446 . 7 1 1 A 58 58 GLY N N 58 103.688 108.386 -4.698 1
1 447 . 7 1 1 A 59 59 TYR H H 59 8.941 8.874 0.067 1
1 448 . 7 1 1 A 59 59 TYR HA H 59 4.741 5.464 -0.723 1
1 453 . 7 1 1 A 59 59 TYR N N 59 123.537 122.980 0.557 1
1 454 . 7 1 1 A 60 60 PHE H H 60 9.215 9.157 0.058 1
1 455 . 7 1 1 A 60 60 PHE HA H 60 5.054 5.405 -0.351 1
1 460 . 7 1 1 A 60 60 PHE N N 60 130.526 123.593 6.933 1
1 461 . 7 1 1 A 61 61 LEU H H 61 9.388 9.065 0.323 1
1 462 . 7 1 1 A 61 61 LEU HA H 61 5.047 5.401 -0.354 1
1 472 . 7 1 1 A 61 61 LEU N N 61 123.595 120.322 3.273 1
1 473 . 7 1 1 A 62 62 TRP H H 62 8.752 9.053 -0.301 1
1 474 . 7 1 1 A 62 62 TRP HA H 62 5.554 5.421 0.133 1
1 481 . 7 1 1 A 62 62 TRP N N 62 125.081 125.367 -0.286 1
1 483 . 7 1 1 A 63 63 TYR H H 63 8.592 7.935 0.657 1
1 484 . 7 1 1 A 63 63 TYR HA H 63 4.972 5.512 -0.540 1
1 491 . 7 1 1 A 63 63 TYR N N 63 123.346 122.459 0.887 1
1 492 . 7 1 1 A 64 64 GLN H H 64 8.604 8.504 0.100 1
1 493 . 7 1 1 A 64 64 GLN HA H 64 4.866 4.959 -0.093 1
1 500 . 7 1 1 A 64 64 GLN N N 64 123.079 119.786 3.293 1
1 502 . 7 1 1 A 65 65 VAL H H 65 9.204 8.869 0.335 1
1 503 . 7 1 1 A 65 65 VAL HA H 65 5.672 5.584 0.088 1
1 511 . 7 1 1 A 65 65 VAL N N 65 119.156 118.123 1.033 1
1 512 . 7 1 1 A 66 66 GLU H H 66 8.635 8.961 -0.326 1
1 513 . 7 1 1 A 66 66 GLU HA H 66 5.333 5.408 -0.075 1
1 518 . 7 1 1 A 66 66 GLU N N 66 121.502 122.831 -1.329 1
1 519 . 7 1 1 A 67 67 MET H H 67 9.480 8.362 1.118 1
1 520 . 7 1 1 A 67 67 MET N N 67 122.258 125.542 -3.284 1
1 521 . 7 1 1 A 68 68 PRO HA H 68 4.562 4.507 0.055 1
1 522 . 7 1 1 A 69 69 GLU H H 69 10.059 9.043 1.016 1
1 523 . 7 1 1 A 69 69 GLU HA H 69 4.442 3.954 0.488 1
1 528 . 7 1 1 A 69 69 GLU N N 69 126.845 123.346 3.499 1
1 529 . 7 1 1 A 70 70 ASP H H 70 8.763 8.183 0.580 1
1 530 . 7 1 1 A 70 70 ASP HA H 70 4.568 4.377 0.191 1
1 533 . 7 1 1 A 70 70 ASP N N 70 115.710 119.410 -3.700 1
1 534 . 7 1 1 A 71 71 ARG H H 71 7.679 7.659 0.020 1
1 535 . 7 1 1 A 71 71 ARG HA H 71 4.853 4.122 0.731 1
1 536 . 7 1 1 A 71 71 ARG N N 71 116.513 118.970 -2.457 1
1 537 . 7 1 1 A 72 72 VAL H H 72 6.949 7.782 -0.833 1
1 538 . 7 1 1 A 72 72 VAL HA H 72 3.287 3.691 -0.404 1
1 546 . 7 1 1 A 72 72 VAL N N 72 119.962 119.733 0.229 1
1 547 . 7 1 1 A 73 73 ASN H H 73 8.292 8.301 -0.009 1
1 548 . 7 1 1 A 73 73 ASN HA H 73 4.378 4.354 0.024 1
1 553 . 7 1 1 A 73 73 ASN N N 73 117.910 119.451 -1.541 1
1 555 . 7 1 1 A 74 74 ASP H H 74 7.985 8.122 -0.137 1
1 556 . 7 1 1 A 74 74 ASP HA H 74 4.325 4.324 0.001 1
1 559 . 7 1 1 A 74 74 ASP N N 74 121.962 119.827 2.135 1
1 560 . 7 1 1 A 75 75 LEU H H 75 7.519 8.386 -0.867 1
1 561 . 7 1 1 A 75 75 LEU HA H 75 3.060 3.954 -0.894 1
1 570 . 7 1 1 A 75 75 LEU N N 75 122.206 119.407 2.799 1
1 571 . 7 1 1 A 76 76 ALA H H 76 7.936 8.643 -0.707 1
1 572 . 7 1 1 A 76 76 ALA HA H 76 3.582 4.026 -0.444 1
1 576 . 7 1 1 A 76 76 ALA N N 76 119.529 122.127 -2.598 1
1 577 . 7 1 1 A 77 77 ARG H H 77 7.619 7.715 -0.096 1
1 578 . 7 1 1 A 77 77 ARG HA H 77 3.852 4.021 -0.169 1
1 585 . 7 1 1 A 77 77 ARG N N 77 115.626 118.685 -3.059 1
1 586 . 7 1 1 A 78 78 GLU H H 78 7.739 7.627 0.112 1
1 587 . 7 1 1 A 78 78 GLU HA H 78 4.000 4.124 -0.124 1
1 592 . 7 1 1 A 78 78 GLU N N 78 119.427 119.413 0.014 1
1 593 . 7 1 1 A 79 79 LEU H H 79 8.183 8.448 -0.265 1
1 594 . 7 1 1 A 79 79 LEU HA H 79 4.033 4.038 -0.005 1
1 603 . 7 1 1 A 79 79 LEU N N 79 117.433 120.346 -2.913 1
1 604 . 7 1 1 A 80 80 ARG H H 80 7.546 7.834 -0.288 1
1 605 . 7 1 1 A 80 80 ARG HA H 80 3.960 4.123 -0.163 1
1 610 . 7 1 1 A 80 80 ARG N N 80 113.295 120.459 -7.164 1
1 611 . 7 1 1 A 81 81 ILE H H 81 7.280 7.595 -0.315 1
1 612 . 7 1 1 A 81 81 ILE HA H 81 3.987 3.839 0.148 1
1 622 . 7 1 1 A 81 81 ILE N N 81 115.559 118.385 -2.826 1
1 623 . 7 1 1 A 82 82 ARG H H 82 6.846 7.660 -0.814 1
1 624 . 7 1 1 A 82 82 ARG HA H 82 4.231 4.422 -0.191 1
1 631 . 7 1 1 A 82 82 ARG N N 82 119.695 120.494 -0.799 1
1 632 . 7 1 1 A 83 83 ASP H H 83 8.502 9.069 -0.567 1
1 633 . 7 1 1 A 83 83 ASP HA H 83 4.346 4.382 -0.036 1
1 636 . 7 1 1 A 83 83 ASP N N 83 123.697 120.892 2.805 1
1 637 . 7 1 1 A 84 84 ASN H H 84 8.883 8.221 0.662 1
1 638 . 7 1 1 A 84 84 ASN HA H 84 4.822 4.571 0.251 1
1 643 . 7 1 1 A 84 84 ASN N N 84 112.236 116.498 -4.262 1
1 645 . 7 1 1 A 85 85 VAL H H 85 7.800 7.684 0.116 1
1 646 . 7 1 1 A 85 85 VAL HA H 85 4.048 4.252 -0.204 1
1 654 . 7 1 1 A 85 85 VAL N N 85 122.112 119.493 2.619 1
1 655 . 7 1 1 A 86 86 ARG H H 86 9.285 8.787 0.498 1
1 656 . 7 1 1 A 86 86 ARG HA H 86 4.432 4.369 0.063 1
1 657 . 7 1 1 A 86 86 ARG N N 86 126.445 129.268 -2.823 1
1 658 . 7 1 1 A 87 87 ARG H H 87 7.671 7.733 -0.062 1
1 659 . 7 1 1 A 87 87 ARG HA H 87 4.556 4.732 -0.176 1
1 666 . 7 1 1 A 87 87 ARG N N 87 116.855 115.237 1.618 1
1 667 . 7 1 1 A 88 88 VAL H H 88 8.904 8.570 0.334 1
1 668 . 7 1 1 A 88 88 VAL HA H 88 4.834 4.919 -0.085 1
1 676 . 7 1 1 A 88 88 VAL N N 88 123.751 121.599 2.152 1
1 677 . 7 1 1 A 89 89 MET H H 89 9.119 9.023 0.096 1
1 678 . 7 1 1 A 89 89 MET HA H 89 4.869 5.182 -0.313 1
1 683 . 7 1 1 A 89 89 MET N N 89 127.251 127.993 -0.742 1
1 684 . 7 1 1 A 90 90 VAL H H 90 9.007 8.938 0.069 1
1 685 . 7 1 1 A 90 90 VAL HA H 90 4.962 5.031 -0.069 1
1 693 . 7 1 1 A 90 90 VAL N N 90 127.769 126.365 1.404 1
1 694 . 7 1 1 A 91 91 VAL H H 91 9.195 9.027 0.168 1
1 695 . 7 1 1 A 91 91 VAL HA H 91 4.660 5.009 -0.349 1
1 703 . 7 1 1 A 91 91 VAL N N 91 126.267 121.800 4.467 1
1 704 . 7 1 1 A 92 92 LYS H H 92 8.914 8.423 0.491 1
1 705 . 7 1 1 A 92 92 LYS HA H 92 4.124 4.154 -0.030 1
1 712 . 7 1 1 A 92 92 LYS N N 92 126.996 125.097 1.899 1
1 713 . 7 1 1 A 93 93 SER H H 93 8.046 7.659 0.387 1
1 714 . 7 1 1 A 93 93 SER HA H 93 4.396 5.357 -0.961 1
1 717 . 7 1 1 A 93 93 SER N N 93 120.732 115.627 5.105 1
1 718 . 7 1 1 A 94 94 GLN H H 94 8.806 8.806 0.000 1
1 719 . 7 1 1 A 94 94 GLN HA H 94 4.316 4.907 -0.591 1
1 726 . 7 1 1 A 94 94 GLN N N 94 124.100 117.376 6.724 1
1 728 . 7 1 1 A 95 95 GLU H H 95 8.481 8.638 -0.157 1
1 729 . 7 1 1 A 95 95 GLU HA H 95 4.579 4.917 -0.338 1
1 734 . 7 1 1 A 95 95 GLU N N 95 124.145 120.358 3.787 1
1 735 . 7 1 1 A 96 96 PRO HA H 96 4.408 4.676 -0.268 1
1 742 . 7 1 1 A 97 97 PHE H H 97 8.234 8.867 -0.633 1
1 743 . 7 1 1 A 97 97 PHE HA H 97 4.647 4.865 -0.218 1
1 748 . 7 1 1 A 97 97 PHE N N 97 120.145 123.310 -3.165 1
1 749 . 7 1 1 A 98 98 LEU H H 98 8.115 8.742 -0.627 1
1 750 . 7 1 1 A 98 98 LEU HA H 98 4.368 4.114 0.254 1
1 759 . 7 1 1 A 98 98 LEU N N 98 125.838 119.489 6.349 1
1 760 . 7 1 1 A 99 99 ALA H H 99 7.765 8.371 -0.606 1
1 761 . 7 1 1 A 99 99 ALA HA H 99 4.074 4.777 -0.703 1
1 2 . 8 1 1 A 2 2 ARG H H 2 8.836 7.905 0.931 1
1 3 . 8 1 1 A 2 2 ARG HA H 2 4.715 4.605 0.110 1
1 5 . 8 1 1 A 2 2 ARG N N 2 122.718 117.682 5.036 1
1 6 . 8 1 1 A 3 3 ARG H H 3 8.145 8.476 -0.331 1
1 7 . 8 1 1 A 3 3 ARG HA H 3 5.354 5.434 -0.080 1
1 11 . 8 1 1 A 3 3 ARG N N 3 121.051 117.895 3.156 1
1 12 . 8 1 1 A 4 4 TYR H H 4 9.186 8.935 0.251 1
1 13 . 8 1 1 A 4 4 TYR HA H 4 5.061 5.024 0.037 1
1 20 . 8 1 1 A 4 4 TYR N N 4 122.362 120.055 2.307 1
1 21 . 8 1 1 A 5 5 GLU H H 5 9.357 8.426 0.931 1
1 22 . 8 1 1 A 5 5 GLU HA H 5 5.006 5.424 -0.418 1
1 27 . 8 1 1 A 5 5 GLU N N 5 119.338 120.645 -1.307 1
1 28 . 8 1 1 A 6 6 VAL H H 6 9.387 8.954 0.433 1
1 29 . 8 1 1 A 6 6 VAL HA H 6 4.481 4.633 -0.152 1
1 37 . 8 1 1 A 6 6 VAL N N 6 124.463 124.137 0.326 1
1 38 . 8 1 1 A 7 7 ASN H H 7 9.059 9.473 -0.414 1
1 39 . 8 1 1 A 7 7 ASN HA H 7 5.550 5.054 0.496 1
1 44 . 8 1 1 A 7 7 ASN N N 7 125.802 127.881 -2.079 1
1 46 . 8 1 1 A 8 8 ILE H H 8 9.108 8.866 0.242 1
1 47 . 8 1 1 A 8 8 ILE HA H 8 4.851 4.821 0.030 1
1 57 . 8 1 1 A 8 8 ILE N N 8 125.010 126.399 -1.389 1
1 58 . 8 1 1 A 9 9 VAL H H 9 8.669 8.880 -0.211 1
1 59 . 8 1 1 A 9 9 VAL HA H 9 4.518 5.025 -0.507 1
1 67 . 8 1 1 A 9 9 VAL N N 9 125.755 128.935 -3.180 1
1 68 . 8 1 1 A 10 10 LEU H H 10 9.855 9.089 0.766 1
1 69 . 8 1 1 A 10 10 LEU HA H 10 5.341 5.053 0.288 1
1 79 . 8 1 1 A 10 10 LEU N N 10 127.024 126.701 0.323 1
1 80 . 8 1 1 A 11 11 ASN H H 11 8.316 8.652 -0.336 1
1 85 . 8 1 1 A 11 11 ASN N N 11 118.911 120.262 -1.351 1
1 87 . 8 1 1 A 12 12 PRO HA H 12 4.471 4.637 -0.166 1
1 90 . 8 1 1 A 13 13 ASN H H 13 8.316 8.401 -0.085 1
1 91 . 8 1 1 A 13 13 ASN HA H 13 4.813 4.997 -0.184 1
1 96 . 8 1 1 A 13 13 ASN N N 13 118.703 119.094 -0.391 1
1 98 . 8 1 1 A 14 14 LEU H H 14 7.181 7.485 -0.304 1
1 99 . 8 1 1 A 14 14 LEU HA H 14 4.382 4.169 0.213 1
1 109 . 8 1 1 A 14 14 LEU N N 14 118.890 121.465 -2.575 1
1 110 . 8 1 1 A 15 15 ASP H H 15 8.671 8.632 0.039 1
1 111 . 8 1 1 A 15 15 ASP HA H 15 4.704 4.863 -0.159 1
1 114 . 8 1 1 A 15 15 ASP N N 15 122.145 121.168 0.977 1
1 115 . 8 1 1 A 16 16 GLN H H 16 8.549 8.689 -0.140 1
1 116 . 8 1 1 A 16 16 GLN HA H 16 3.939 3.959 -0.020 1
1 123 . 8 1 1 A 16 16 GLN N N 16 116.429 118.086 -1.657 1
1 125 . 8 1 1 A 17 17 SER H H 17 8.352 7.887 0.465 1
1 126 . 8 1 1 A 17 17 SER HA H 17 4.316 4.089 0.227 1
1 129 . 8 1 1 A 17 17 SER N N 17 117.102 115.461 1.641 1
1 130 . 8 1 1 A 18 18 GLN H H 18 8.683 9.485 -0.802 1
1 131 . 8 1 1 A 18 18 GLN HA H 18 4.065 4.086 -0.021 1
1 138 . 8 1 1 A 18 18 GLN N N 18 124.500 121.461 3.039 1
1 140 . 8 1 1 A 19 19 LEU H H 19 8.792 7.900 0.892 1
1 141 . 8 1 1 A 19 19 LEU HA H 19 3.793 4.098 -0.305 1
1 148 . 8 1 1 A 19 19 LEU N N 19 121.821 122.220 -0.399 1
1 149 . 8 1 1 A 20 20 ALA H H 20 7.823 8.012 -0.189 1
1 150 . 8 1 1 A 20 20 ALA HA H 20 4.014 4.037 -0.023 1
1 154 . 8 1 1 A 20 20 ALA N N 20 120.183 120.922 -0.739 1
1 155 . 8 1 1 A 21 21 LEU H H 21 7.569 7.587 -0.018 1
1 156 . 8 1 1 A 21 21 LEU HA H 21 4.255 3.918 0.337 1
1 166 . 8 1 1 A 21 21 LEU N N 21 119.682 117.169 2.513 1
1 167 . 8 1 1 A 22 22 GLU H H 22 8.076 8.405 -0.329 1
1 168 . 8 1 1 A 22 22 GLU HA H 22 4.146 4.042 0.104 1
1 173 . 8 1 1 A 22 22 GLU N N 22 117.135 122.066 -4.931 1
1 174 . 8 1 1 A 23 23 LYS H H 23 8.400 7.461 0.939 1
1 175 . 8 1 1 A 23 23 LYS HA H 23 3.940 4.092 -0.152 1
1 182 . 8 1 1 A 23 23 LYS N N 23 117.328 119.498 -2.170 1
1 183 . 8 1 1 A 24 24 GLU H H 24 8.002 7.901 0.101 1
1 184 . 8 1 1 A 24 24 GLU HA H 24 4.134 4.107 0.027 1
1 189 . 8 1 1 A 24 24 GLU N N 24 121.932 119.673 2.259 1
1 190 . 8 1 1 A 25 25 ILE H H 25 8.124 7.503 0.621 1
1 191 . 8 1 1 A 25 25 ILE HA H 25 3.628 3.817 -0.189 1
1 201 . 8 1 1 A 25 25 ILE N N 25 121.791 117.493 4.298 1
1 202 . 8 1 1 A 26 26 ILE H H 26 8.311 8.173 0.138 1
1 203 . 8 1 1 A 26 26 ILE HA H 26 3.421 3.436 -0.015 1
1 211 . 8 1 1 A 26 26 ILE N N 26 122.094 122.809 -0.715 1
1 212 . 8 1 1 A 27 27 GLN H H 27 8.169 7.831 0.338 1
1 213 . 8 1 1 A 27 27 GLN HA H 27 3.769 3.921 -0.152 1
1 220 . 8 1 1 A 27 27 GLN N N 27 118.606 118.495 0.111 1
1 222 . 8 1 1 A 28 28 ARG H H 28 8.146 8.176 -0.030 1
1 223 . 8 1 1 A 28 28 ARG HA H 28 4.125 4.067 0.058 1
1 230 . 8 1 1 A 28 28 ARG N N 28 118.685 118.876 -0.191 1
1 231 . 8 1 1 A 29 29 ALA H H 29 8.176 8.348 -0.172 1
1 232 . 8 1 1 A 29 29 ALA HA H 29 4.318 4.014 0.304 1
1 236 . 8 1 1 A 29 29 ALA N N 29 123.579 122.497 1.082 1
1 237 . 8 1 1 A 30 30 LEU H H 30 8.415 7.527 0.888 1
1 238 . 8 1 1 A 30 30 LEU HA H 30 3.774 3.905 -0.131 1
1 248 . 8 1 1 A 30 30 LEU N N 30 116.873 117.130 -0.257 1
1 249 . 8 1 1 A 31 31 GLU H H 31 7.865 7.744 0.121 1
1 250 . 8 1 1 A 31 31 GLU HA H 31 4.172 4.003 0.169 1
1 255 . 8 1 1 A 31 31 GLU N N 31 117.422 119.510 -2.088 1
1 256 . 8 1 1 A 32 32 ASN H H 32 8.715 8.413 0.302 1
1 257 . 8 1 1 A 32 32 ASN HA H 32 4.434 4.418 0.016 1
1 262 . 8 1 1 A 32 32 ASN N N 32 120.768 118.293 2.475 1
1 264 . 8 1 1 A 33 33 TYR H H 33 7.882 7.368 0.514 1
1 265 . 8 1 1 A 33 33 TYR HA H 33 4.321 4.559 -0.238 1
1 272 . 8 1 1 A 33 33 TYR N N 33 117.207 117.528 -0.321 1
1 273 . 8 1 1 A 34 34 GLY H H 34 7.668 8.645 -0.977 1
1 274 . 8 1 1 A 34 34 GLY HA2 H 34 3.796 3.976 -0.180 1
1 275 . 8 1 1 A 34 34 GLY HA3 H 34 4.037 3.979 0.058 1
1 276 . 8 1 1 A 34 34 GLY N N 34 104.268 108.425 -4.157 1
1 277 . 8 1 1 A 35 35 ALA H H 35 8.373 7.729 0.644 1
1 278 . 8 1 1 A 35 35 ALA HA H 35 4.955 4.513 0.442 1
1 282 . 8 1 1 A 35 35 ALA N N 35 120.534 123.082 -2.548 1
1 283 . 8 1 1 A 36 36 ARG H H 36 9.073 8.958 0.115 1
1 284 . 8 1 1 A 36 36 ARG HA H 36 4.582 5.009 -0.427 1
1 289 . 8 1 1 A 36 36 ARG N N 36 123.245 122.581 0.664 1
1 290 . 8 1 1 A 37 37 VAL H H 37 9.105 8.755 0.350 1
1 291 . 8 1 1 A 37 37 VAL HA H 37 4.011 5.178 -1.167 1
1 299 . 8 1 1 A 37 37 VAL N N 37 126.869 123.221 3.648 1
1 300 . 8 1 1 A 38 38 GLU H H 38 9.217 9.525 -0.308 1
1 301 . 8 1 1 A 38 38 GLU HA H 38 4.395 4.336 0.059 1
1 306 . 8 1 1 A 38 38 GLU N N 38 129.074 129.165 -0.091 1
1 307 . 8 1 1 A 39 39 LYS H H 39 7.822 7.558 0.264 1
1 308 . 8 1 1 A 39 39 LYS HA H 39 4.672 4.824 -0.152 1
1 315 . 8 1 1 A 39 39 LYS N N 39 116.882 117.763 -0.881 1
1 316 . 8 1 1 A 40 40 VAL H H 40 8.412 8.619 -0.207 1
1 317 . 8 1 1 A 40 40 VAL HA H 40 4.892 4.870 0.022 1
1 325 . 8 1 1 A 40 40 VAL N N 40 121.731 117.687 4.044 1
1 326 . 8 1 1 A 41 41 GLU H H 41 9.523 9.073 0.450 1
1 327 . 8 1 1 A 41 41 GLU HA H 41 4.688 4.994 -0.306 1
1 332 . 8 1 1 A 41 41 GLU N N 41 126.064 123.620 2.444 1
1 333 . 8 1 1 A 42 42 GLU H H 42 9.049 9.014 0.035 1
1 334 . 8 1 1 A 42 42 GLU HA H 42 4.658 4.497 0.161 1
1 339 . 8 1 1 A 42 42 GLU N N 42 126.962 127.041 -0.079 1
1 340 . 8 1 1 A 43 43 LEU H H 43 7.887 8.684 -0.797 1
1 341 . 8 1 1 A 43 43 LEU HA H 43 4.252 4.252 0.000 1
1 351 . 8 1 1 A 43 43 LEU N N 43 126.929 125.885 1.044 1
1 352 . 8 1 1 A 44 44 GLY H H 44 7.839 8.160 -0.321 1
1 353 . 8 1 1 A 44 44 GLY HA2 H 44 2.380 3.796 -1.416 1
1 354 . 8 1 1 A 44 44 GLY HA3 H 44 3.940 3.867 0.073 1
1 355 . 8 1 1 A 44 44 GLY N N 44 105.145 106.998 -1.853 1
1 356 . 8 1 1 A 45 45 LEU H H 45 8.579 7.943 0.636 1
1 357 . 8 1 1 A 45 45 LEU HA H 45 4.906 4.141 0.765 1
1 367 . 8 1 1 A 45 45 LEU N N 45 122.487 120.090 2.397 1
1 368 . 8 1 1 A 46 46 ARG H H 46 8.899 8.516 0.383 1
1 369 . 8 1 1 A 46 46 ARG HA H 46 4.584 4.575 0.009 1
1 374 . 8 1 1 A 46 46 ARG N N 46 123.175 120.651 2.524 1
1 375 . 8 1 1 A 47 47 ARG H H 47 8.330 8.363 -0.033 1
1 376 . 8 1 1 A 47 47 ARG HA H 47 4.429 4.883 -0.454 1
1 381 . 8 1 1 A 47 47 ARG N N 47 120.447 120.316 0.131 1
1 382 . 8 1 1 A 48 48 LEU H H 48 8.348 8.864 -0.516 1
1 383 . 8 1 1 A 48 48 LEU HA H 48 4.458 4.477 -0.019 1
1 393 . 8 1 1 A 48 48 LEU N N 48 124.979 127.543 -2.564 1
1 394 . 8 1 1 A 49 49 ALA H H 49 7.975 7.541 0.434 1
1 395 . 8 1 1 A 49 49 ALA HA H 49 4.176 4.536 -0.360 1
1 399 . 8 1 1 A 49 49 ALA N N 49 130.824 123.503 7.321 1
1 400 . 8 1 1 A 50 50 TYR H H 50 8.587 9.091 -0.504 1
1 401 . 8 1 1 A 50 50 TYR HA H 50 4.656 4.216 0.440 1
1 404 . 8 1 1 A 50 50 TYR N N 50 122.514 122.831 -0.317 1
1 405 . 8 1 1 A 51 51 PRO HA H 51 4.554 4.687 -0.133 1
1 406 . 8 1 1 A 52 52 ILE H H 52 8.262 8.505 -0.243 1
1 407 . 8 1 1 A 52 52 ILE HA H 52 4.182 4.630 -0.448 1
1 414 . 8 1 1 A 52 52 ILE N N 52 121.932 122.274 -0.342 1
1 415 . 8 1 1 A 53 53 ALA H H 53 8.420 8.548 -0.128 1
1 416 . 8 1 1 A 53 53 ALA HA H 53 4.359 4.418 -0.059 1
1 420 . 8 1 1 A 53 53 ALA N N 53 128.607 128.794 -0.187 1
1 421 . 8 1 1 A 54 54 LYS H H 54 8.338 8.450 -0.112 1
1 422 . 8 1 1 A 54 54 LYS HA H 54 4.320 3.979 0.341 1
1 427 . 8 1 1 A 54 54 LYS N N 54 120.865 123.220 -2.355 1
1 428 . 8 1 1 A 55 55 ASP H H 55 8.242 8.122 0.120 1
1 431 . 8 1 1 A 55 55 ASP N N 55 121.940 119.903 2.037 1
1 432 . 8 1 1 A 56 56 PRO HA H 56 4.541 4.633 -0.092 1
1 433 . 8 1 1 A 57 57 GLN H H 57 8.346 8.496 -0.150 1
1 434 . 8 1 1 A 57 57 GLN HA H 57 5.113 5.307 -0.194 1
1 441 . 8 1 1 A 57 57 GLN N N 57 119.306 116.771 2.535 1
1 443 . 8 1 1 A 58 58 GLY H H 58 8.724 8.443 0.281 1
1 444 . 8 1 1 A 58 58 GLY HA2 H 58 3.594 4.296 -0.702 1
1 445 . 8 1 1 A 58 58 GLY HA3 H 58 4.313 4.307 0.006 1
1 446 . 8 1 1 A 58 58 GLY N N 58 103.688 107.408 -3.720 1
1 447 . 8 1 1 A 59 59 TYR H H 59 8.941 8.997 -0.056 1
1 448 . 8 1 1 A 59 59 TYR HA H 59 4.741 5.021 -0.280 1
1 453 . 8 1 1 A 59 59 TYR N N 59 123.537 124.833 -1.296 1
1 454 . 8 1 1 A 60 60 PHE H H 60 9.215 9.493 -0.278 1
1 455 . 8 1 1 A 60 60 PHE HA H 60 5.054 5.169 -0.115 1
1 460 . 8 1 1 A 60 60 PHE N N 60 130.526 127.209 3.317 1
1 461 . 8 1 1 A 61 61 LEU H H 61 9.388 9.126 0.262 1
1 462 . 8 1 1 A 61 61 LEU HA H 61 5.047 5.443 -0.396 1
1 472 . 8 1 1 A 61 61 LEU N N 61 123.595 123.310 0.285 1
1 473 . 8 1 1 A 62 62 TRP H H 62 8.752 9.027 -0.275 1
1 474 . 8 1 1 A 62 62 TRP HA H 62 5.554 5.425 0.129 1
1 481 . 8 1 1 A 62 62 TRP N N 62 125.081 123.940 1.141 1
1 483 . 8 1 1 A 63 63 TYR H H 63 8.592 9.042 -0.450 1
1 484 . 8 1 1 A 63 63 TYR HA H 63 4.972 5.116 -0.144 1
1 491 . 8 1 1 A 63 63 TYR N N 63 123.346 122.655 0.691 1
1 492 . 8 1 1 A 64 64 GLN H H 64 8.604 8.949 -0.345 1
1 493 . 8 1 1 A 64 64 GLN HA H 64 4.866 4.625 0.241 1
1 500 . 8 1 1 A 64 64 GLN N N 64 123.079 122.740 0.339 1
1 502 . 8 1 1 A 65 65 VAL H H 65 9.204 8.982 0.222 1
1 503 . 8 1 1 A 65 65 VAL HA H 65 5.672 5.297 0.375 1
1 511 . 8 1 1 A 65 65 VAL N N 65 119.156 118.052 1.104 1
1 512 . 8 1 1 A 66 66 GLU H H 66 8.635 8.516 0.119 1
1 513 . 8 1 1 A 66 66 GLU HA H 66 5.333 4.590 0.743 1
1 518 . 8 1 1 A 66 66 GLU N N 66 121.502 120.372 1.130 1
1 519 . 8 1 1 A 67 67 MET H H 67 9.480 7.518 1.962 1
1 520 . 8 1 1 A 67 67 MET N N 67 122.258 120.036 2.222 1
1 521 . 8 1 1 A 68 68 PRO HA H 68 4.562 4.631 -0.069 1
1 522 . 8 1 1 A 69 69 GLU H H 69 10.059 9.144 0.915 1
1 523 . 8 1 1 A 69 69 GLU HA H 69 4.442 3.888 0.554 1
1 528 . 8 1 1 A 69 69 GLU N N 69 126.845 121.583 5.262 1
1 529 . 8 1 1 A 70 70 ASP H H 70 8.763 7.996 0.767 1
1 530 . 8 1 1 A 70 70 ASP HA H 70 4.568 4.484 0.084 1
1 533 . 8 1 1 A 70 70 ASP N N 70 115.710 118.698 -2.988 1
1 534 . 8 1 1 A 71 71 ARG H H 71 7.679 7.938 -0.259 1
1 535 . 8 1 1 A 71 71 ARG HA H 71 4.853 4.157 0.696 1
1 536 . 8 1 1 A 71 71 ARG N N 71 116.513 120.608 -4.095 1
1 537 . 8 1 1 A 72 72 VAL H H 72 6.949 7.977 -1.028 1
1 538 . 8 1 1 A 72 72 VAL HA H 72 3.287 3.844 -0.557 1
1 546 . 8 1 1 A 72 72 VAL N N 72 119.962 118.356 1.606 1
1 547 . 8 1 1 A 73 73 ASN H H 73 8.292 8.207 0.085 1
1 548 . 8 1 1 A 73 73 ASN HA H 73 4.378 4.391 -0.013 1
1 553 . 8 1 1 A 73 73 ASN N N 73 117.910 119.512 -1.602 1
1 555 . 8 1 1 A 74 74 ASP H H 74 7.985 7.719 0.266 1
1 556 . 8 1 1 A 74 74 ASP HA H 74 4.325 4.356 -0.031 1
1 559 . 8 1 1 A 74 74 ASP N N 74 121.962 119.711 2.251 1
1 560 . 8 1 1 A 75 75 LEU H H 75 7.519 7.500 0.019 1
1 561 . 8 1 1 A 75 75 LEU HA H 75 3.060 2.401 0.659 1
1 570 . 8 1 1 A 75 75 LEU N N 75 122.206 118.269 3.937 1
1 571 . 8 1 1 A 76 76 ALA H H 76 7.936 7.850 0.086 1
1 572 . 8 1 1 A 76 76 ALA HA H 76 3.582 3.820 -0.238 1
1 576 . 8 1 1 A 76 76 ALA N N 76 119.529 122.002 -2.473 1
1 577 . 8 1 1 A 77 77 ARG H H 77 7.619 7.822 -0.203 1
1 578 . 8 1 1 A 77 77 ARG HA H 77 3.852 4.041 -0.189 1
1 585 . 8 1 1 A 77 77 ARG N N 77 115.626 117.999 -2.373 1
1 586 . 8 1 1 A 78 78 GLU H H 78 7.739 8.064 -0.325 1
1 587 . 8 1 1 A 78 78 GLU HA H 78 4.000 4.058 -0.058 1
1 592 . 8 1 1 A 78 78 GLU N N 78 119.427 118.136 1.291 1
1 593 . 8 1 1 A 79 79 LEU H H 79 8.183 7.958 0.225 1
1 594 . 8 1 1 A 79 79 LEU HA H 79 4.033 3.920 0.113 1
1 603 . 8 1 1 A 79 79 LEU N N 79 117.433 120.343 -2.910 1
1 604 . 8 1 1 A 80 80 ARG H H 80 7.546 7.727 -0.181 1
1 605 . 8 1 1 A 80 80 ARG HA H 80 3.960 4.048 -0.088 1
1 610 . 8 1 1 A 80 80 ARG N N 80 113.295 119.844 -6.549 1
1 611 . 8 1 1 A 81 81 ILE H H 81 7.280 7.546 -0.266 1
1 612 . 8 1 1 A 81 81 ILE HA H 81 3.987 3.973 0.014 1
1 622 . 8 1 1 A 81 81 ILE N N 81 115.559 118.225 -2.666 1
1 623 . 8 1 1 A 82 82 ARG H H 82 6.846 7.197 -0.351 1
1 624 . 8 1 1 A 82 82 ARG HA H 82 4.231 4.375 -0.144 1
1 631 . 8 1 1 A 82 82 ARG N N 82 119.695 121.171 -1.476 1
1 632 . 8 1 1 A 83 83 ASP H H 83 8.502 8.829 -0.327 1
1 633 . 8 1 1 A 83 83 ASP HA H 83 4.346 4.345 0.001 1
1 636 . 8 1 1 A 83 83 ASP N N 83 123.697 120.106 3.591 1
1 637 . 8 1 1 A 84 84 ASN H H 84 8.883 8.148 0.735 1
1 638 . 8 1 1 A 84 84 ASN HA H 84 4.822 4.628 0.194 1
1 643 . 8 1 1 A 84 84 ASN N N 84 112.236 116.638 -4.402 1
1 645 . 8 1 1 A 85 85 VAL H H 85 7.800 7.835 -0.035 1
1 646 . 8 1 1 A 85 85 VAL HA H 85 4.048 4.275 -0.227 1
1 654 . 8 1 1 A 85 85 VAL N N 85 122.112 119.150 2.962 1
1 655 . 8 1 1 A 86 86 ARG H H 86 9.285 8.862 0.423 1
1 656 . 8 1 1 A 86 86 ARG HA H 86 4.432 4.360 0.072 1
1 657 . 8 1 1 A 86 86 ARG N N 86 126.445 127.986 -1.541 1
1 658 . 8 1 1 A 87 87 ARG H H 87 7.671 7.672 -0.001 1
1 659 . 8 1 1 A 87 87 ARG HA H 87 4.556 4.742 -0.186 1
1 666 . 8 1 1 A 87 87 ARG N N 87 116.855 118.743 -1.888 1
1 667 . 8 1 1 A 88 88 VAL H H 88 8.904 8.526 0.378 1
1 668 . 8 1 1 A 88 88 VAL HA H 88 4.834 4.818 0.016 1
1 676 . 8 1 1 A 88 88 VAL N N 88 123.751 123.882 -0.131 1
1 677 . 8 1 1 A 89 89 MET H H 89 9.119 8.656 0.463 1
1 678 . 8 1 1 A 89 89 MET HA H 89 4.869 5.155 -0.286 1
1 683 . 8 1 1 A 89 89 MET N N 89 127.251 128.109 -0.858 1
1 684 . 8 1 1 A 90 90 VAL H H 90 9.007 9.017 -0.010 1
1 685 . 8 1 1 A 90 90 VAL HA H 90 4.962 4.848 0.114 1
1 693 . 8 1 1 A 90 90 VAL N N 90 127.769 125.871 1.898 1
1 694 . 8 1 1 A 91 91 VAL H H 91 9.195 8.858 0.337 1
1 695 . 8 1 1 A 91 91 VAL HA H 91 4.660 4.917 -0.257 1
1 703 . 8 1 1 A 91 91 VAL N N 91 126.267 122.640 3.627 1
1 704 . 8 1 1 A 92 92 LYS H H 92 8.914 8.421 0.493 1
1 705 . 8 1 1 A 92 92 LYS HA H 92 4.124 4.669 -0.545 1
1 712 . 8 1 1 A 92 92 LYS N N 92 126.996 123.701 3.295 1
1 713 . 8 1 1 A 93 93 SER H H 93 8.046 8.811 -0.765 1
1 714 . 8 1 1 A 93 93 SER HA H 93 4.396 4.973 -0.577 1
1 717 . 8 1 1 A 93 93 SER N N 93 120.732 119.152 1.580 1
1 718 . 8 1 1 A 94 94 GLN H H 94 8.806 8.958 -0.152 1
1 719 . 8 1 1 A 94 94 GLN HA H 94 4.316 4.784 -0.468 1
1 726 . 8 1 1 A 94 94 GLN N N 94 124.100 127.126 -3.026 1
1 728 . 8 1 1 A 95 95 GLU H H 95 8.481 8.663 -0.182 1
1 729 . 8 1 1 A 95 95 GLU HA H 95 4.579 4.876 -0.297 1
1 734 . 8 1 1 A 95 95 GLU N N 95 124.145 119.772 4.373 1
1 735 . 8 1 1 A 96 96 PRO HA H 96 4.408 4.906 -0.498 1
1 742 . 8 1 1 A 97 97 PHE H H 97 8.234 8.989 -0.755 1
1 743 . 8 1 1 A 97 97 PHE HA H 97 4.647 4.725 -0.078 1
1 748 . 8 1 1 A 97 97 PHE N N 97 120.145 122.868 -2.723 1
1 749 . 8 1 1 A 98 98 LEU H H 98 8.115 8.603 -0.488 1
1 750 . 8 1 1 A 98 98 LEU HA H 98 4.368 4.024 0.344 1
1 759 . 8 1 1 A 98 98 LEU N N 98 125.838 128.504 -2.666 1
1 760 . 8 1 1 A 99 99 ALA H H 99 7.765 8.348 -0.583 1
1 761 . 8 1 1 A 99 99 ALA HA H 99 4.074 4.626 -0.552 1
1 2 . 9 1 1 A 2 2 ARG H H 2 8.836 7.800 1.036 1
1 3 . 9 1 1 A 2 2 ARG HA H 2 4.715 4.648 0.067 1
1 5 . 9 1 1 A 2 2 ARG N N 2 122.718 116.924 5.794 1
1 6 . 9 1 1 A 3 3 ARG H H 3 8.145 8.108 0.037 1
1 7 . 9 1 1 A 3 3 ARG HA H 3 5.354 5.179 0.175 1
1 11 . 9 1 1 A 3 3 ARG N N 3 121.051 120.592 0.459 1
1 12 . 9 1 1 A 4 4 TYR H H 4 9.186 8.716 0.470 1
1 13 . 9 1 1 A 4 4 TYR HA H 4 5.061 5.018 0.043 1
1 20 . 9 1 1 A 4 4 TYR N N 4 122.362 122.487 -0.125 1
1 21 . 9 1 1 A 5 5 GLU H H 5 9.357 9.869 -0.512 1
1 22 . 9 1 1 A 5 5 GLU HA H 5 5.006 4.586 0.420 1
1 27 . 9 1 1 A 5 5 GLU N N 5 119.338 119.272 0.066 1
1 28 . 9 1 1 A 6 6 VAL H H 6 9.387 8.119 1.268 1
1 29 . 9 1 1 A 6 6 VAL HA H 6 4.481 4.517 -0.036 1
1 37 . 9 1 1 A 6 6 VAL N N 6 124.463 123.849 0.614 1
1 38 . 9 1 1 A 7 7 ASN H H 7 9.059 9.201 -0.142 1
1 39 . 9 1 1 A 7 7 ASN HA H 7 5.550 4.350 1.200 1
1 44 . 9 1 1 A 7 7 ASN N N 7 125.802 126.143 -0.341 1
1 46 . 9 1 1 A 8 8 ILE H H 8 9.108 8.630 0.478 1
1 47 . 9 1 1 A 8 8 ILE HA H 8 4.851 4.687 0.164 1
1 57 . 9 1 1 A 8 8 ILE N N 8 125.010 126.307 -1.297 1
1 58 . 9 1 1 A 9 9 VAL H H 9 8.669 9.083 -0.414 1
1 59 . 9 1 1 A 9 9 VAL HA H 9 4.518 4.937 -0.419 1
1 67 . 9 1 1 A 9 9 VAL N N 9 125.755 128.231 -2.476 1
1 68 . 9 1 1 A 10 10 LEU H H 10 9.855 9.201 0.654 1
1 69 . 9 1 1 A 10 10 LEU HA H 10 5.341 5.184 0.157 1
1 79 . 9 1 1 A 10 10 LEU N N 10 127.024 129.675 -2.651 1
1 80 . 9 1 1 A 11 11 ASN H H 11 8.316 7.975 0.341 1
1 85 . 9 1 1 A 11 11 ASN N N 11 118.911 119.865 -0.954 1
1 87 . 9 1 1 A 12 12 PRO HA H 12 4.471 4.672 -0.201 1
1 90 . 9 1 1 A 13 13 ASN H H 13 8.316 8.123 0.193 1
1 91 . 9 1 1 A 13 13 ASN HA H 13 4.813 4.725 0.088 1
1 96 . 9 1 1 A 13 13 ASN N N 13 118.703 119.699 -0.996 1
1 98 . 9 1 1 A 14 14 LEU H H 14 7.181 7.824 -0.643 1
1 99 . 9 1 1 A 14 14 LEU HA H 14 4.382 4.207 0.175 1
1 109 . 9 1 1 A 14 14 LEU N N 14 118.890 119.653 -0.763 1
1 110 . 9 1 1 A 15 15 ASP H H 15 8.671 8.688 -0.017 1
1 111 . 9 1 1 A 15 15 ASP HA H 15 4.704 4.843 -0.139 1
1 114 . 9 1 1 A 15 15 ASP N N 15 122.145 121.156 0.989 1
1 115 . 9 1 1 A 16 16 GLN H H 16 8.549 8.834 -0.285 1
1 116 . 9 1 1 A 16 16 GLN HA H 16 3.939 3.986 -0.047 1
1 123 . 9 1 1 A 16 16 GLN N N 16 116.429 120.383 -3.954 1
1 125 . 9 1 1 A 17 17 SER H H 17 8.352 8.126 0.226 1
1 126 . 9 1 1 A 17 17 SER HA H 17 4.316 4.200 0.116 1
1 129 . 9 1 1 A 17 17 SER N N 17 117.102 116.001 1.101 1
1 130 . 9 1 1 A 18 18 GLN H H 18 8.683 8.336 0.347 1
1 131 . 9 1 1 A 18 18 GLN HA H 18 4.065 4.066 -0.001 1
1 138 . 9 1 1 A 18 18 GLN N N 18 124.500 121.628 2.872 1
1 140 . 9 1 1 A 19 19 LEU H H 19 8.792 8.297 0.495 1
1 141 . 9 1 1 A 19 19 LEU HA H 19 3.793 4.082 -0.289 1
1 148 . 9 1 1 A 19 19 LEU N N 19 121.821 121.798 0.023 1
1 149 . 9 1 1 A 20 20 ALA H H 20 7.823 8.712 -0.889 1
1 150 . 9 1 1 A 20 20 ALA HA H 20 4.014 4.006 0.008 1
1 154 . 9 1 1 A 20 20 ALA N N 20 120.183 120.673 -0.490 1
1 155 . 9 1 1 A 21 21 LEU H H 21 7.569 7.362 0.207 1
1 156 . 9 1 1 A 21 21 LEU HA H 21 4.255 3.909 0.346 1
1 166 . 9 1 1 A 21 21 LEU N N 21 119.682 117.020 2.662 1
1 167 . 9 1 1 A 22 22 GLU H H 22 8.076 8.098 -0.022 1
1 168 . 9 1 1 A 22 22 GLU HA H 22 4.146 3.959 0.187 1
1 173 . 9 1 1 A 22 22 GLU N N 22 117.135 119.939 -2.804 1
1 174 . 9 1 1 A 23 23 LYS H H 23 8.400 7.563 0.837 1
1 175 . 9 1 1 A 23 23 LYS HA H 23 3.940 3.926 0.014 1
1 182 . 9 1 1 A 23 23 LYS N N 23 117.328 119.339 -2.011 1
1 183 . 9 1 1 A 24 24 GLU H H 24 8.002 7.496 0.506 1
1 184 . 9 1 1 A 24 24 GLU HA H 24 4.134 4.072 0.062 1
1 189 . 9 1 1 A 24 24 GLU N N 24 121.932 120.043 1.889 1
1 190 . 9 1 1 A 25 25 ILE H H 25 8.124 7.719 0.405 1
1 191 . 9 1 1 A 25 25 ILE HA H 25 3.628 3.698 -0.070 1
1 201 . 9 1 1 A 25 25 ILE N N 25 121.791 120.530 1.261 1
1 202 . 9 1 1 A 26 26 ILE H H 26 8.311 8.650 -0.339 1
1 203 . 9 1 1 A 26 26 ILE HA H 26 3.421 3.444 -0.023 1
1 211 . 9 1 1 A 26 26 ILE N N 26 122.094 121.187 0.907 1
1 212 . 9 1 1 A 27 27 GLN H H 27 8.169 7.857 0.312 1
1 213 . 9 1 1 A 27 27 GLN HA H 27 3.769 3.917 -0.148 1
1 220 . 9 1 1 A 27 27 GLN N N 27 118.606 119.660 -1.054 1
1 222 . 9 1 1 A 28 28 ARG H H 28 8.146 7.715 0.431 1
1 223 . 9 1 1 A 28 28 ARG HA H 28 4.125 4.000 0.125 1
1 230 . 9 1 1 A 28 28 ARG N N 28 118.685 119.505 -0.820 1
1 231 . 9 1 1 A 29 29 ALA H H 29 8.176 7.659 0.517 1
1 232 . 9 1 1 A 29 29 ALA HA H 29 4.318 4.111 0.207 1
1 236 . 9 1 1 A 29 29 ALA N N 29 123.579 121.944 1.635 1
1 237 . 9 1 1 A 30 30 LEU H H 30 8.415 8.065 0.350 1
1 238 . 9 1 1 A 30 30 LEU HA H 30 3.774 3.882 -0.108 1
1 248 . 9 1 1 A 30 30 LEU N N 30 116.873 119.062 -2.189 1
1 249 . 9 1 1 A 31 31 GLU H H 31 7.865 7.950 -0.085 1
1 250 . 9 1 1 A 31 31 GLU HA H 31 4.172 4.024 0.148 1
1 255 . 9 1 1 A 31 31 GLU N N 31 117.422 118.999 -1.577 1
1 256 . 9 1 1 A 32 32 ASN H H 32 8.715 8.257 0.458 1
1 257 . 9 1 1 A 32 32 ASN HA H 32 4.434 4.481 -0.047 1
1 262 . 9 1 1 A 32 32 ASN N N 32 120.768 118.223 2.545 1
1 264 . 9 1 1 A 33 33 TYR H H 33 7.882 7.952 -0.070 1
1 265 . 9 1 1 A 33 33 TYR HA H 33 4.321 4.502 -0.181 1
1 272 . 9 1 1 A 33 33 TYR N N 33 117.207 120.111 -2.904 1
1 273 . 9 1 1 A 34 34 GLY H H 34 7.668 7.717 -0.049 1
1 274 . 9 1 1 A 34 34 GLY HA2 H 34 3.796 3.813 -0.017 1
1 275 . 9 1 1 A 34 34 GLY HA3 H 34 4.037 3.984 0.053 1
1 276 . 9 1 1 A 34 34 GLY N N 34 104.268 108.249 -3.981 1
1 277 . 9 1 1 A 35 35 ALA H H 35 8.373 8.700 -0.327 1
1 278 . 9 1 1 A 35 35 ALA HA H 35 4.955 4.751 0.204 1
1 282 . 9 1 1 A 35 35 ALA N N 35 120.534 122.919 -2.385 1
1 283 . 9 1 1 A 36 36 ARG H H 36 9.073 8.973 0.100 1
1 284 . 9 1 1 A 36 36 ARG HA H 36 4.582 5.007 -0.425 1
1 289 . 9 1 1 A 36 36 ARG N N 36 123.245 122.445 0.800 1
1 290 . 9 1 1 A 37 37 VAL H H 37 9.105 8.743 0.362 1
1 291 . 9 1 1 A 37 37 VAL HA H 37 4.011 4.329 -0.318 1
1 299 . 9 1 1 A 37 37 VAL N N 37 126.869 123.820 3.049 1
1 300 . 9 1 1 A 38 38 GLU H H 38 9.217 8.616 0.601 1
1 301 . 9 1 1 A 38 38 GLU HA H 38 4.395 4.452 -0.057 1
1 306 . 9 1 1 A 38 38 GLU N N 38 129.074 126.822 2.252 1
1 307 . 9 1 1 A 39 39 LYS H H 39 7.822 7.670 0.152 1
1 308 . 9 1 1 A 39 39 LYS HA H 39 4.672 4.963 -0.291 1
1 315 . 9 1 1 A 39 39 LYS N N 39 116.882 118.040 -1.158 1
1 316 . 9 1 1 A 40 40 VAL H H 40 8.412 8.871 -0.459 1
1 317 . 9 1 1 A 40 40 VAL HA H 40 4.892 4.963 -0.071 1
1 325 . 9 1 1 A 40 40 VAL N N 40 121.731 122.729 -0.998 1
1 326 . 9 1 1 A 41 41 GLU H H 41 9.523 8.896 0.627 1
1 327 . 9 1 1 A 41 41 GLU HA H 41 4.688 4.923 -0.235 1
1 332 . 9 1 1 A 41 41 GLU N N 41 126.064 128.238 -2.174 1
1 333 . 9 1 1 A 42 42 GLU H H 42 9.049 8.817 0.232 1
1 334 . 9 1 1 A 42 42 GLU HA H 42 4.658 4.554 0.104 1
1 339 . 9 1 1 A 42 42 GLU N N 42 126.962 124.359 2.603 1
1 340 . 9 1 1 A 43 43 LEU H H 43 7.887 9.133 -1.246 1
1 341 . 9 1 1 A 43 43 LEU HA H 43 4.252 4.333 -0.081 1
1 351 . 9 1 1 A 43 43 LEU N N 43 126.929 125.813 1.116 1
1 352 . 9 1 1 A 44 44 GLY H H 44 7.839 8.420 -0.581 1
1 353 . 9 1 1 A 44 44 GLY HA2 H 44 2.380 3.982 -1.602 1
1 354 . 9 1 1 A 44 44 GLY HA3 H 44 3.940 4.005 -0.065 1
1 355 . 9 1 1 A 44 44 GLY N N 44 105.145 107.095 -1.950 1
1 356 . 9 1 1 A 45 45 LEU H H 45 8.579 8.013 0.566 1
1 357 . 9 1 1 A 45 45 LEU HA H 45 4.906 4.145 0.761 1
1 367 . 9 1 1 A 45 45 LEU N N 45 122.487 120.500 1.987 1
1 368 . 9 1 1 A 46 46 ARG H H 46 8.899 8.428 0.471 1
1 369 . 9 1 1 A 46 46 ARG HA H 46 4.584 4.887 -0.303 1
1 374 . 9 1 1 A 46 46 ARG N N 46 123.175 124.305 -1.130 1
1 375 . 9 1 1 A 47 47 ARG H H 47 8.330 8.412 -0.082 1
1 376 . 9 1 1 A 47 47 ARG HA H 47 4.429 4.177 0.252 1
1 381 . 9 1 1 A 47 47 ARG N N 47 120.447 122.415 -1.968 1
1 382 . 9 1 1 A 48 48 LEU H H 48 8.348 8.288 0.060 1
1 383 . 9 1 1 A 48 48 LEU HA H 48 4.458 4.596 -0.138 1
1 393 . 9 1 1 A 48 48 LEU N N 48 124.979 122.075 2.904 1
1 394 . 9 1 1 A 49 49 ALA H H 49 7.975 8.505 -0.530 1
1 395 . 9 1 1 A 49 49 ALA HA H 49 4.176 4.752 -0.576 1
1 399 . 9 1 1 A 49 49 ALA N N 49 130.824 128.972 1.852 1
1 400 . 9 1 1 A 50 50 TYR H H 50 8.587 9.177 -0.590 1
1 401 . 9 1 1 A 50 50 TYR HA H 50 4.656 4.326 0.330 1
1 404 . 9 1 1 A 50 50 TYR N N 50 122.514 119.138 3.376 1
1 405 . 9 1 1 A 51 51 PRO HA H 51 4.554 4.445 0.109 1
1 406 . 9 1 1 A 52 52 ILE H H 52 8.262 8.468 -0.206 1
1 407 . 9 1 1 A 52 52 ILE HA H 52 4.182 3.736 0.446 1
1 414 . 9 1 1 A 52 52 ILE N N 52 121.932 121.191 0.741 1
1 415 . 9 1 1 A 53 53 ALA H H 53 8.420 8.806 -0.386 1
1 416 . 9 1 1 A 53 53 ALA HA H 53 4.359 3.918 0.441 1
1 420 . 9 1 1 A 53 53 ALA N N 53 128.607 131.937 -3.330 1
1 421 . 9 1 1 A 54 54 LYS H H 54 8.338 7.836 0.502 1
1 422 . 9 1 1 A 54 54 LYS HA H 54 4.320 4.246 0.074 1
1 427 . 9 1 1 A 54 54 LYS N N 54 120.865 118.120 2.745 1
1 428 . 9 1 1 A 55 55 ASP H H 55 8.242 8.534 -0.292 1
1 431 . 9 1 1 A 55 55 ASP N N 55 121.940 122.129 -0.189 1
1 432 . 9 1 1 A 56 56 PRO HA H 56 4.541 4.501 0.040 1
1 433 . 9 1 1 A 57 57 GLN H H 57 8.346 8.417 -0.071 1
1 434 . 9 1 1 A 57 57 GLN HA H 57 5.113 4.362 0.751 1
1 441 . 9 1 1 A 57 57 GLN N N 57 119.306 119.381 -0.075 1
1 443 . 9 1 1 A 58 58 GLY H H 58 8.724 8.209 0.515 1
1 444 . 9 1 1 A 58 58 GLY HA2 H 58 3.594 4.239 -0.645 1
1 445 . 9 1 1 A 58 58 GLY HA3 H 58 4.313 4.263 0.050 1
1 446 . 9 1 1 A 58 58 GLY N N 58 103.688 108.212 -4.524 1
1 447 . 9 1 1 A 59 59 TYR H H 59 8.941 8.401 0.540 1
1 448 . 9 1 1 A 59 59 TYR HA H 59 4.741 5.224 -0.483 1
1 453 . 9 1 1 A 59 59 TYR N N 59 123.537 121.369 2.168 1
1 454 . 9 1 1 A 60 60 PHE H H 60 9.215 9.283 -0.068 1
1 455 . 9 1 1 A 60 60 PHE HA H 60 5.054 5.464 -0.410 1
1 460 . 9 1 1 A 60 60 PHE N N 60 130.526 129.131 1.395 1
1 461 . 9 1 1 A 61 61 LEU H H 61 9.388 8.977 0.411 1
1 462 . 9 1 1 A 61 61 LEU HA H 61 5.047 5.528 -0.481 1
1 472 . 9 1 1 A 61 61 LEU N N 61 123.595 127.663 -4.068 1
1 473 . 9 1 1 A 62 62 TRP H H 62 8.752 9.072 -0.320 1
1 474 . 9 1 1 A 62 62 TRP HA H 62 5.554 5.362 0.192 1
1 481 . 9 1 1 A 62 62 TRP N N 62 125.081 126.734 -1.653 1
1 483 . 9 1 1 A 63 63 TYR H H 63 8.592 7.881 0.711 1
1 484 . 9 1 1 A 63 63 TYR HA H 63 4.972 5.489 -0.517 1
1 491 . 9 1 1 A 63 63 TYR N N 63 123.346 122.594 0.752 1
1 492 . 9 1 1 A 64 64 GLN H H 64 8.604 8.540 0.064 1
1 493 . 9 1 1 A 64 64 GLN HA H 64 4.866 4.889 -0.023 1
1 500 . 9 1 1 A 64 64 GLN N N 64 123.079 119.125 3.954 1
1 502 . 9 1 1 A 65 65 VAL H H 65 9.204 8.730 0.474 1
1 503 . 9 1 1 A 65 65 VAL HA H 65 5.672 5.114 0.558 1
1 511 . 9 1 1 A 65 65 VAL N N 65 119.156 118.794 0.362 1
1 512 . 9 1 1 A 66 66 GLU H H 66 8.635 8.640 -0.005 1
1 513 . 9 1 1 A 66 66 GLU HA H 66 5.333 5.169 0.164 1
1 518 . 9 1 1 A 66 66 GLU N N 66 121.502 120.314 1.188 1
1 519 . 9 1 1 A 67 67 MET H H 67 9.480 7.723 1.757 1
1 520 . 9 1 1 A 67 67 MET N N 67 122.258 120.130 2.128 1
1 521 . 9 1 1 A 68 68 PRO HA H 68 4.562 4.254 0.308 1
1 522 . 9 1 1 A 69 69 GLU H H 69 10.059 8.352 1.707 1
1 523 . 9 1 1 A 69 69 GLU HA H 69 4.442 3.766 0.676 1
1 528 . 9 1 1 A 69 69 GLU N N 69 126.845 121.528 5.317 1
1 529 . 9 1 1 A 70 70 ASP H H 70 8.763 8.219 0.544 1
1 530 . 9 1 1 A 70 70 ASP HA H 70 4.568 4.379 0.189 1
1 533 . 9 1 1 A 70 70 ASP N N 70 115.710 120.287 -4.577 1
1 534 . 9 1 1 A 71 71 ARG H H 71 7.679 7.387 0.292 1
1 535 . 9 1 1 A 71 71 ARG HA H 71 4.853 4.140 0.713 1
1 536 . 9 1 1 A 71 71 ARG N N 71 116.513 119.115 -2.602 1
1 537 . 9 1 1 A 72 72 VAL H H 72 6.949 7.908 -0.959 1
1 538 . 9 1 1 A 72 72 VAL HA H 72 3.287 3.679 -0.392 1
1 546 . 9 1 1 A 72 72 VAL N N 72 119.962 119.751 0.211 1
1 547 . 9 1 1 A 73 73 ASN H H 73 8.292 7.783 0.509 1
1 548 . 9 1 1 A 73 73 ASN HA H 73 4.378 4.389 -0.011 1
1 553 . 9 1 1 A 73 73 ASN N N 73 117.910 119.277 -1.367 1
1 555 . 9 1 1 A 74 74 ASP H H 74 7.985 8.219 -0.234 1
1 556 . 9 1 1 A 74 74 ASP HA H 74 4.325 4.355 -0.030 1
1 559 . 9 1 1 A 74 74 ASP N N 74 121.962 119.949 2.013 1
1 560 . 9 1 1 A 75 75 LEU H H 75 7.519 8.137 -0.618 1
1 561 . 9 1 1 A 75 75 LEU HA H 75 3.060 4.026 -0.966 1
1 570 . 9 1 1 A 75 75 LEU N N 75 122.206 119.466 2.740 1
1 571 . 9 1 1 A 76 76 ALA H H 76 7.936 8.477 -0.541 1
1 572 . 9 1 1 A 76 76 ALA HA H 76 3.582 3.936 -0.354 1
1 576 . 9 1 1 A 76 76 ALA N N 76 119.529 122.309 -2.780 1
1 577 . 9 1 1 A 77 77 ARG H H 77 7.619 8.054 -0.435 1
1 578 . 9 1 1 A 77 77 ARG HA H 77 3.852 3.996 -0.144 1
1 585 . 9 1 1 A 77 77 ARG N N 77 115.626 117.996 -2.370 1
1 586 . 9 1 1 A 78 78 GLU H H 78 7.739 7.615 0.124 1
1 587 . 9 1 1 A 78 78 GLU HA H 78 4.000 4.061 -0.061 1
1 592 . 9 1 1 A 78 78 GLU N N 78 119.427 119.139 0.288 1
1 593 . 9 1 1 A 79 79 LEU H H 79 8.183 8.461 -0.278 1
1 594 . 9 1 1 A 79 79 LEU HA H 79 4.033 4.023 0.010 1
1 603 . 9 1 1 A 79 79 LEU N N 79 117.433 120.371 -2.938 1
1 604 . 9 1 1 A 80 80 ARG H H 80 7.546 8.967 -1.421 1
1 605 . 9 1 1 A 80 80 ARG HA H 80 3.960 3.972 -0.012 1
1 610 . 9 1 1 A 80 80 ARG N N 80 113.295 119.315 -6.020 1
1 611 . 9 1 1 A 81 81 ILE H H 81 7.280 7.570 -0.290 1
1 612 . 9 1 1 A 81 81 ILE HA H 81 3.987 4.027 -0.040 1
1 622 . 9 1 1 A 81 81 ILE N N 81 115.559 118.592 -3.033 1
1 623 . 9 1 1 A 82 82 ARG H H 82 6.846 7.395 -0.549 1
1 624 . 9 1 1 A 82 82 ARG HA H 82 4.231 4.204 0.027 1
1 631 . 9 1 1 A 82 82 ARG N N 82 119.695 123.379 -3.684 1
1 632 . 9 1 1 A 83 83 ASP H H 83 8.502 9.101 -0.599 1
1 633 . 9 1 1 A 83 83 ASP HA H 83 4.346 4.425 -0.079 1
1 636 . 9 1 1 A 83 83 ASP N N 83 123.697 125.036 -1.339 1
1 637 . 9 1 1 A 84 84 ASN H H 84 8.883 7.784 1.099 1
1 638 . 9 1 1 A 84 84 ASN HA H 84 4.822 4.725 0.097 1
1 643 . 9 1 1 A 84 84 ASN N N 84 112.236 115.352 -3.116 1
1 645 . 9 1 1 A 85 85 VAL H H 85 7.800 7.562 0.238 1
1 646 . 9 1 1 A 85 85 VAL HA H 85 4.048 4.126 -0.078 1
1 654 . 9 1 1 A 85 85 VAL N N 85 122.112 119.788 2.324 1
1 655 . 9 1 1 A 86 86 ARG H H 86 9.285 8.434 0.851 1
1 656 . 9 1 1 A 86 86 ARG HA H 86 4.432 4.595 -0.163 1
1 657 . 9 1 1 A 86 86 ARG N N 86 126.445 126.972 -0.527 1
1 658 . 9 1 1 A 87 87 ARG H H 87 7.671 7.646 0.025 1
1 659 . 9 1 1 A 87 87 ARG HA H 87 4.556 4.919 -0.363 1
1 666 . 9 1 1 A 87 87 ARG N N 87 116.855 117.275 -0.420 1
1 667 . 9 1 1 A 88 88 VAL H H 88 8.904 8.466 0.438 1
1 668 . 9 1 1 A 88 88 VAL HA H 88 4.834 4.866 -0.032 1
1 676 . 9 1 1 A 88 88 VAL N N 88 123.751 120.995 2.756 1
1 677 . 9 1 1 A 89 89 MET H H 89 9.119 8.337 0.782 1
1 678 . 9 1 1 A 89 89 MET HA H 89 4.869 5.166 -0.297 1
1 683 . 9 1 1 A 89 89 MET N N 89 127.251 125.600 1.651 1
1 684 . 9 1 1 A 90 90 VAL H H 90 9.007 8.813 0.194 1
1 685 . 9 1 1 A 90 90 VAL HA H 90 4.962 4.740 0.222 1
1 693 . 9 1 1 A 90 90 VAL N N 90 127.769 123.524 4.245 1
1 694 . 9 1 1 A 91 91 VAL H H 91 9.195 9.523 -0.328 1
1 695 . 9 1 1 A 91 91 VAL HA H 91 4.660 4.772 -0.112 1
1 703 . 9 1 1 A 91 91 VAL N N 91 126.267 127.686 -1.419 1
1 704 . 9 1 1 A 92 92 LYS H H 92 8.914 8.323 0.591 1
1 705 . 9 1 1 A 92 92 LYS HA H 92 4.124 4.730 -0.606 1
1 712 . 9 1 1 A 92 92 LYS N N 92 126.996 124.484 2.512 1
1 713 . 9 1 1 A 93 93 SER H H 93 8.046 8.093 -0.047 1
1 714 . 9 1 1 A 93 93 SER HA H 93 4.396 5.370 -0.974 1
1 717 . 9 1 1 A 93 93 SER N N 93 120.732 115.710 5.022 1
1 718 . 9 1 1 A 94 94 GLN H H 94 8.806 8.458 0.348 1
1 719 . 9 1 1 A 94 94 GLN HA H 94 4.316 4.434 -0.118 1
1 726 . 9 1 1 A 94 94 GLN N N 94 124.100 123.916 0.184 1
1 728 . 9 1 1 A 95 95 GLU H H 95 8.481 8.523 -0.042 1
1 729 . 9 1 1 A 95 95 GLU HA H 95 4.579 4.373 0.206 1
1 734 . 9 1 1 A 95 95 GLU N N 95 124.145 121.257 2.888 1
1 735 . 9 1 1 A 96 96 PRO HA H 96 4.408 4.898 -0.490 1
1 742 . 9 1 1 A 97 97 PHE H H 97 8.234 8.857 -0.623 1
1 743 . 9 1 1 A 97 97 PHE HA H 97 4.647 4.615 0.032 1
1 748 . 9 1 1 A 97 97 PHE N N 97 120.145 124.380 -4.235 1
1 749 . 9 1 1 A 98 98 LEU H H 98 8.115 8.419 -0.304 1
1 750 . 9 1 1 A 98 98 LEU HA H 98 4.368 3.765 0.603 1
1 759 . 9 1 1 A 98 98 LEU N N 98 125.838 128.029 -2.191 1
1 760 . 9 1 1 A 99 99 ALA H H 99 7.765 7.920 -0.155 1
1 761 . 9 1 1 A 99 99 ALA HA H 99 4.074 4.222 -0.148 1
1 2 . 10 1 1 A 2 2 ARG H H 2 8.836 7.651 1.185 1
1 3 . 10 1 1 A 2 2 ARG HA H 2 4.715 4.770 -0.055 1
1 5 . 10 1 1 A 2 2 ARG N N 2 122.718 119.096 3.622 1
1 6 . 10 1 1 A 3 3 ARG H H 3 8.145 8.469 -0.324 1
1 7 . 10 1 1 A 3 3 ARG HA H 3 5.354 5.343 0.011 1
1 11 . 10 1 1 A 3 3 ARG N N 3 121.051 123.055 -2.004 1
1 12 . 10 1 1 A 4 4 TYR H H 4 9.186 8.837 0.349 1
1 13 . 10 1 1 A 4 4 TYR HA H 4 5.061 5.232 -0.171 1
1 20 . 10 1 1 A 4 4 TYR N N 4 122.362 124.024 -1.662 1
1 21 . 10 1 1 A 5 5 GLU H H 5 9.357 8.433 0.924 1
1 22 . 10 1 1 A 5 5 GLU HA H 5 5.006 4.709 0.297 1
1 27 . 10 1 1 A 5 5 GLU N N 5 119.338 121.027 -1.689 1
1 28 . 10 1 1 A 6 6 VAL H H 6 9.387 8.894 0.493 1
1 29 . 10 1 1 A 6 6 VAL HA H 6 4.481 4.417 0.064 1
1 37 . 10 1 1 A 6 6 VAL N N 6 124.463 124.174 0.289 1
1 38 . 10 1 1 A 7 7 ASN H H 7 9.059 8.851 0.208 1
1 39 . 10 1 1 A 7 7 ASN HA H 7 5.550 5.335 0.215 1
1 44 . 10 1 1 A 7 7 ASN N N 7 125.802 125.461 0.341 1
1 46 . 10 1 1 A 8 8 ILE H H 8 9.108 8.644 0.464 1
1 47 . 10 1 1 A 8 8 ILE HA H 8 4.851 4.718 0.133 1
1 57 . 10 1 1 A 8 8 ILE N N 8 125.010 125.401 -0.391 1
1 58 . 10 1 1 A 9 9 VAL H H 9 8.669 8.825 -0.156 1
1 59 . 10 1 1 A 9 9 VAL HA H 9 4.518 4.860 -0.342 1
1 67 . 10 1 1 A 9 9 VAL N N 9 125.755 128.295 -2.540 1
1 68 . 10 1 1 A 10 10 LEU H H 10 9.855 8.959 0.896 1
1 69 . 10 1 1 A 10 10 LEU HA H 10 5.341 5.705 -0.364 1
1 79 . 10 1 1 A 10 10 LEU N N 10 127.024 125.062 1.962 1
1 80 . 10 1 1 A 11 11 ASN H H 11 8.316 8.606 -0.290 1
1 85 . 10 1 1 A 11 11 ASN N N 11 118.911 117.020 1.891 1
1 87 . 10 1 1 A 12 12 PRO HA H 12 4.471 4.606 -0.135 1
1 90 . 10 1 1 A 13 13 ASN H H 13 8.316 8.048 0.268 1
1 91 . 10 1 1 A 13 13 ASN HA H 13 4.813 4.589 0.224 1
1 96 . 10 1 1 A 13 13 ASN N N 13 118.703 119.402 -0.699 1
1 98 . 10 1 1 A 14 14 LEU H H 14 7.181 7.799 -0.618 1
1 99 . 10 1 1 A 14 14 LEU HA H 14 4.382 4.193 0.189 1
1 109 . 10 1 1 A 14 14 LEU N N 14 118.890 119.981 -1.091 1
1 110 . 10 1 1 A 15 15 ASP H H 15 8.671 8.623 0.048 1
1 111 . 10 1 1 A 15 15 ASP HA H 15 4.704 4.836 -0.132 1
1 114 . 10 1 1 A 15 15 ASP N N 15 122.145 121.082 1.063 1
1 115 . 10 1 1 A 16 16 GLN H H 16 8.549 8.534 0.015 1
1 116 . 10 1 1 A 16 16 GLN HA H 16 3.939 3.908 0.031 1
1 123 . 10 1 1 A 16 16 GLN N N 16 116.429 117.817 -1.388 1
1 125 . 10 1 1 A 17 17 SER H H 17 8.352 8.448 -0.096 1
1 126 . 10 1 1 A 17 17 SER HA H 17 4.316 4.176 0.140 1
1 129 . 10 1 1 A 17 17 SER N N 17 117.102 114.251 2.851 1
1 130 . 10 1 1 A 18 18 GLN H H 18 8.683 9.009 -0.326 1
1 131 . 10 1 1 A 18 18 GLN HA H 18 4.065 4.055 0.010 1
1 138 . 10 1 1 A 18 18 GLN N N 18 124.500 121.773 2.727 1
1 140 . 10 1 1 A 19 19 LEU H H 19 8.792 7.979 0.813 1
1 141 . 10 1 1 A 19 19 LEU HA H 19 3.793 4.085 -0.292 1
1 148 . 10 1 1 A 19 19 LEU N N 19 121.821 121.885 -0.064 1
1 149 . 10 1 1 A 20 20 ALA H H 20 7.823 8.248 -0.425 1
1 150 . 10 1 1 A 20 20 ALA HA H 20 4.014 4.029 -0.015 1
1 154 . 10 1 1 A 20 20 ALA N N 20 120.183 120.927 -0.744 1
1 155 . 10 1 1 A 21 21 LEU H H 21 7.569 7.523 0.046 1
1 156 . 10 1 1 A 21 21 LEU HA H 21 4.255 3.947 0.308 1
1 166 . 10 1 1 A 21 21 LEU N N 21 119.682 116.992 2.690 1
1 167 . 10 1 1 A 22 22 GLU H H 22 8.076 8.399 -0.323 1
1 168 . 10 1 1 A 22 22 GLU HA H 22 4.146 4.056 0.090 1
1 173 . 10 1 1 A 22 22 GLU N N 22 117.135 122.486 -5.351 1
1 174 . 10 1 1 A 23 23 LYS H H 23 8.400 7.761 0.639 1
1 175 . 10 1 1 A 23 23 LYS HA H 23 3.940 4.026 -0.086 1
1 182 . 10 1 1 A 23 23 LYS N N 23 117.328 119.802 -2.474 1
1 183 . 10 1 1 A 24 24 GLU H H 24 8.002 7.752 0.250 1
1 184 . 10 1 1 A 24 24 GLU HA H 24 4.134 4.065 0.069 1
1 189 . 10 1 1 A 24 24 GLU N N 24 121.932 119.958 1.974 1
1 190 . 10 1 1 A 25 25 ILE H H 25 8.124 7.813 0.311 1
1 191 . 10 1 1 A 25 25 ILE HA H 25 3.628 3.637 -0.009 1
1 201 . 10 1 1 A 25 25 ILE N N 25 121.791 120.968 0.823 1
1 202 . 10 1 1 A 26 26 ILE H H 26 8.311 7.941 0.370 1
1 203 . 10 1 1 A 26 26 ILE HA H 26 3.421 3.430 -0.009 1
1 211 . 10 1 1 A 26 26 ILE N N 26 122.094 120.793 1.301 1
1 212 . 10 1 1 A 27 27 GLN H H 27 8.169 8.174 -0.005 1
1 213 . 10 1 1 A 27 27 GLN HA H 27 3.769 3.960 -0.191 1
1 220 . 10 1 1 A 27 27 GLN N N 27 118.606 118.500 0.106 1
1 222 . 10 1 1 A 28 28 ARG H H 28 8.146 8.864 -0.718 1
1 223 . 10 1 1 A 28 28 ARG HA H 28 4.125 3.980 0.145 1
1 230 . 10 1 1 A 28 28 ARG N N 28 118.685 119.335 -0.650 1
1 231 . 10 1 1 A 29 29 ALA H H 29 8.176 7.861 0.315 1
1 232 . 10 1 1 A 29 29 ALA HA H 29 4.318 4.094 0.224 1
1 236 . 10 1 1 A 29 29 ALA N N 29 123.579 122.348 1.231 1
1 237 . 10 1 1 A 30 30 LEU H H 30 8.415 7.789 0.626 1
1 238 . 10 1 1 A 30 30 LEU HA H 30 3.774 3.906 -0.132 1
1 248 . 10 1 1 A 30 30 LEU N N 30 116.873 119.192 -2.319 1
1 249 . 10 1 1 A 31 31 GLU H H 31 7.865 7.803 0.062 1
1 250 . 10 1 1 A 31 31 GLU HA H 31 4.172 4.018 0.154 1
1 255 . 10 1 1 A 31 31 GLU N N 31 117.422 118.868 -1.446 1
1 256 . 10 1 1 A 32 32 ASN H H 32 8.715 7.958 0.757 1
1 257 . 10 1 1 A 32 32 ASN HA H 32 4.434 4.513 -0.079 1
1 262 . 10 1 1 A 32 32 ASN N N 32 120.768 118.248 2.520 1
1 264 . 10 1 1 A 33 33 TYR H H 33 7.882 8.285 -0.403 1
1 265 . 10 1 1 A 33 33 TYR HA H 33 4.321 4.431 -0.110 1
1 272 . 10 1 1 A 33 33 TYR N N 33 117.207 120.168 -2.961 1
1 273 . 10 1 1 A 34 34 GLY H H 34 7.668 8.337 -0.669 1
1 274 . 10 1 1 A 34 34 GLY HA2 H 34 3.796 3.830 -0.034 1
1 275 . 10 1 1 A 34 34 GLY HA3 H 34 4.037 4.020 0.017 1
1 276 . 10 1 1 A 34 34 GLY N N 34 104.268 106.843 -2.575 1
1 277 . 10 1 1 A 35 35 ALA H H 35 8.373 9.339 -0.966 1
1 278 . 10 1 1 A 35 35 ALA HA H 35 4.955 4.793 0.162 1
1 282 . 10 1 1 A 35 35 ALA N N 35 120.534 123.052 -2.518 1
1 283 . 10 1 1 A 36 36 ARG H H 36 9.073 9.013 0.060 1
1 284 . 10 1 1 A 36 36 ARG HA H 36 4.582 4.995 -0.413 1
1 289 . 10 1 1 A 36 36 ARG N N 36 123.245 122.919 0.326 1
1 290 . 10 1 1 A 37 37 VAL H H 37 9.105 8.981 0.124 1
1 291 . 10 1 1 A 37 37 VAL HA H 37 4.011 4.232 -0.221 1
1 299 . 10 1 1 A 37 37 VAL N N 37 126.869 124.049 2.820 1
1 300 . 10 1 1 A 38 38 GLU H H 38 9.217 8.816 0.401 1
1 301 . 10 1 1 A 38 38 GLU HA H 38 4.395 4.393 0.002 1
1 306 . 10 1 1 A 38 38 GLU N N 38 129.074 128.205 0.869 1
1 307 . 10 1 1 A 39 39 LYS H H 39 7.822 7.537 0.285 1
1 308 . 10 1 1 A 39 39 LYS HA H 39 4.672 4.666 0.006 1
1 315 . 10 1 1 A 39 39 LYS N N 39 116.882 117.801 -0.919 1
1 316 . 10 1 1 A 40 40 VAL H H 40 8.412 8.710 -0.298 1
1 317 . 10 1 1 A 40 40 VAL HA H 40 4.892 4.170 0.722 1
1 325 . 10 1 1 A 40 40 VAL N N 40 121.731 121.861 -0.130 1
1 326 . 10 1 1 A 41 41 GLU H H 41 9.523 9.397 0.126 1
1 327 . 10 1 1 A 41 41 GLU HA H 41 4.688 4.870 -0.182 1
1 332 . 10 1 1 A 41 41 GLU N N 41 126.064 127.261 -1.197 1
1 333 . 10 1 1 A 42 42 GLU H H 42 9.049 8.779 0.270 1
1 334 . 10 1 1 A 42 42 GLU HA H 42 4.658 4.800 -0.142 1
1 339 . 10 1 1 A 42 42 GLU N N 42 126.962 124.486 2.476 1
1 340 . 10 1 1 A 43 43 LEU H H 43 7.887 8.695 -0.808 1
1 341 . 10 1 1 A 43 43 LEU HA H 43 4.252 4.607 -0.355 1
1 351 . 10 1 1 A 43 43 LEU N N 43 126.929 121.158 5.771 1
1 352 . 10 1 1 A 44 44 GLY H H 44 7.839 8.004 -0.165 1
1 353 . 10 1 1 A 44 44 GLY HA2 H 44 2.380 4.125 -1.745 1
1 354 . 10 1 1 A 44 44 GLY HA3 H 44 3.940 4.220 -0.280 1
1 355 . 10 1 1 A 44 44 GLY N N 44 105.145 109.305 -4.160 1
1 356 . 10 1 1 A 45 45 LEU H H 45 8.579 8.739 -0.160 1
1 357 . 10 1 1 A 45 45 LEU HA H 45 4.906 4.531 0.375 1
1 367 . 10 1 1 A 45 45 LEU N N 45 122.487 120.589 1.898 1
1 368 . 10 1 1 A 46 46 ARG H H 46 8.899 8.689 0.210 1
1 369 . 10 1 1 A 46 46 ARG HA H 46 4.584 4.515 0.069 1
1 374 . 10 1 1 A 46 46 ARG N N 46 123.175 120.876 2.299 1
1 375 . 10 1 1 A 47 47 ARG H H 47 8.330 8.382 -0.052 1
1 376 . 10 1 1 A 47 47 ARG HA H 47 4.429 4.188 0.241 1
1 381 . 10 1 1 A 47 47 ARG N N 47 120.447 121.675 -1.228 1
1 382 . 10 1 1 A 48 48 LEU H H 48 8.348 8.330 0.018 1
1 383 . 10 1 1 A 48 48 LEU HA H 48 4.458 3.941 0.517 1
1 393 . 10 1 1 A 48 48 LEU N N 48 124.979 122.026 2.953 1
1 394 . 10 1 1 A 49 49 ALA H H 49 7.975 8.352 -0.377 1
1 395 . 10 1 1 A 49 49 ALA HA H 49 4.176 4.298 -0.122 1
1 399 . 10 1 1 A 49 49 ALA N N 49 130.824 127.211 3.613 1
1 400 . 10 1 1 A 50 50 TYR H H 50 8.587 8.731 -0.144 1
1 401 . 10 1 1 A 50 50 TYR HA H 50 4.656 4.484 0.172 1
1 404 . 10 1 1 A 50 50 TYR N N 50 122.514 116.646 5.868 1
1 405 . 10 1 1 A 51 51 PRO HA H 51 4.554 4.509 0.045 1
1 406 . 10 1 1 A 52 52 ILE H H 52 8.262 8.415 -0.153 1
1 407 . 10 1 1 A 52 52 ILE HA H 52 4.182 4.775 -0.593 1
1 414 . 10 1 1 A 52 52 ILE N N 52 121.932 122.712 -0.780 1
1 415 . 10 1 1 A 53 53 ALA H H 53 8.420 8.835 -0.415 1
1 416 . 10 1 1 A 53 53 ALA HA H 53 4.359 4.365 -0.006 1
1 420 . 10 1 1 A 53 53 ALA N N 53 128.607 126.907 1.700 1
1 421 . 10 1 1 A 54 54 LYS H H 54 8.338 7.876 0.462 1
1 422 . 10 1 1 A 54 54 LYS HA H 54 4.320 4.504 -0.184 1
1 427 . 10 1 1 A 54 54 LYS N N 54 120.865 115.373 5.492 1
1 428 . 10 1 1 A 55 55 ASP H H 55 8.242 7.933 0.309 1
1 431 . 10 1 1 A 55 55 ASP N N 55 121.940 120.057 1.883 1
1 432 . 10 1 1 A 56 56 PRO HA H 56 4.541 4.587 -0.046 1
1 433 . 10 1 1 A 57 57 GLN H H 57 8.346 8.593 -0.247 1
1 434 . 10 1 1 A 57 57 GLN HA H 57 5.113 4.614 0.499 1
1 441 . 10 1 1 A 57 57 GLN N N 57 119.306 120.026 -0.720 1
1 443 . 10 1 1 A 58 58 GLY H H 58 8.724 8.426 0.298 1
1 444 . 10 1 1 A 58 58 GLY HA2 H 58 3.594 4.270 -0.676 1
1 445 . 10 1 1 A 58 58 GLY HA3 H 58 4.313 4.364 -0.051 1
1 446 . 10 1 1 A 58 58 GLY N N 58 103.688 108.799 -5.111 1
1 447 . 10 1 1 A 59 59 TYR H H 59 8.941 8.742 0.199 1
1 448 . 10 1 1 A 59 59 TYR HA H 59 4.741 4.888 -0.147 1
1 453 . 10 1 1 A 59 59 TYR N N 59 123.537 122.925 0.612 1
1 454 . 10 1 1 A 60 60 PHE H H 60 9.215 9.271 -0.056 1
1 455 . 10 1 1 A 60 60 PHE HA H 60 5.054 4.968 0.086 1
1 460 . 10 1 1 A 60 60 PHE N N 60 130.526 126.885 3.641 1
1 461 . 10 1 1 A 61 61 LEU H H 61 9.388 8.902 0.486 1
1 462 . 10 1 1 A 61 61 LEU HA H 61 5.047 5.130 -0.083 1
1 472 . 10 1 1 A 61 61 LEU N N 61 123.595 119.269 4.326 1
1 473 . 10 1 1 A 62 62 TRP H H 62 8.752 8.611 0.141 1
1 474 . 10 1 1 A 62 62 TRP HA H 62 5.554 5.615 -0.061 1
1 481 . 10 1 1 A 62 62 TRP N N 62 125.081 124.854 0.227 1
1 483 . 10 1 1 A 63 63 TYR H H 63 8.592 8.812 -0.220 1
1 484 . 10 1 1 A 63 63 TYR HA H 63 4.972 5.098 -0.126 1
1 491 . 10 1 1 A 63 63 TYR N N 63 123.346 125.669 -2.323 1
1 492 . 10 1 1 A 64 64 GLN H H 64 8.604 8.181 0.423 1
1 493 . 10 1 1 A 64 64 GLN HA H 64 4.866 4.597 0.269 1
1 500 . 10 1 1 A 64 64 GLN N N 64 123.079 121.926 1.153 1
1 502 . 10 1 1 A 65 65 VAL H H 65 9.204 8.887 0.317 1
1 503 . 10 1 1 A 65 65 VAL HA H 65 5.672 4.904 0.768 1
1 511 . 10 1 1 A 65 65 VAL N N 65 119.156 118.688 0.468 1
1 512 . 10 1 1 A 66 66 GLU H H 66 8.635 8.639 -0.004 1
1 513 . 10 1 1 A 66 66 GLU HA H 66 5.333 5.104 0.229 1
1 518 . 10 1 1 A 66 66 GLU N N 66 121.502 120.820 0.682 1
1 519 . 10 1 1 A 67 67 MET H H 67 9.480 7.444 2.036 1
1 520 . 10 1 1 A 67 67 MET N N 67 122.258 119.779 2.479 1
1 521 . 10 1 1 A 68 68 PRO HA H 68 4.562 4.604 -0.042 1
1 522 . 10 1 1 A 69 69 GLU H H 69 10.059 8.831 1.228 1
1 523 . 10 1 1 A 69 69 GLU HA H 69 4.442 4.034 0.408 1
1 528 . 10 1 1 A 69 69 GLU N N 69 126.845 122.193 4.652 1
1 529 . 10 1 1 A 70 70 ASP H H 70 8.763 8.351 0.412 1
1 530 . 10 1 1 A 70 70 ASP HA H 70 4.568 4.495 0.073 1
1 533 . 10 1 1 A 70 70 ASP N N 70 115.710 119.356 -3.646 1
1 534 . 10 1 1 A 71 71 ARG H H 71 7.679 7.995 -0.316 1
1 535 . 10 1 1 A 71 71 ARG HA H 71 4.853 4.179 0.674 1
1 536 . 10 1 1 A 71 71 ARG N N 71 116.513 118.948 -2.435 1
1 537 . 10 1 1 A 72 72 VAL H H 72 6.949 7.848 -0.899 1
1 538 . 10 1 1 A 72 72 VAL HA H 72 3.287 3.763 -0.476 1
1 546 . 10 1 1 A 72 72 VAL N N 72 119.962 119.801 0.161 1
1 547 . 10 1 1 A 73 73 ASN H H 73 8.292 8.218 0.074 1
1 548 . 10 1 1 A 73 73 ASN HA H 73 4.378 4.397 -0.019 1
1 553 . 10 1 1 A 73 73 ASN N N 73 117.910 119.607 -1.697 1
1 555 . 10 1 1 A 74 74 ASP H H 74 7.985 8.232 -0.247 1
1 556 . 10 1 1 A 74 74 ASP HA H 74 4.325 4.305 0.020 1
1 559 . 10 1 1 A 74 74 ASP N N 74 121.962 119.386 2.576 1
1 560 . 10 1 1 A 75 75 LEU H H 75 7.519 7.584 -0.065 1
1 561 . 10 1 1 A 75 75 LEU HA H 75 3.060 4.061 -1.001 1
1 570 . 10 1 1 A 75 75 LEU N N 75 122.206 119.867 2.339 1
1 571 . 10 1 1 A 76 76 ALA H H 76 7.936 8.061 -0.125 1
1 572 . 10 1 1 A 76 76 ALA HA H 76 3.582 3.906 -0.324 1
1 576 . 10 1 1 A 76 76 ALA N N 76 119.529 122.394 -2.865 1
1 577 . 10 1 1 A 77 77 ARG H H 77 7.619 8.031 -0.412 1
1 578 . 10 1 1 A 77 77 ARG HA H 77 3.852 3.992 -0.140 1
1 585 . 10 1 1 A 77 77 ARG N N 77 115.626 118.388 -2.762 1
1 586 . 10 1 1 A 78 78 GLU H H 78 7.739 7.945 -0.206 1
1 587 . 10 1 1 A 78 78 GLU HA H 78 4.000 4.048 -0.048 1
1 592 . 10 1 1 A 78 78 GLU N N 78 119.427 119.355 0.072 1
1 593 . 10 1 1 A 79 79 LEU H H 79 8.183 8.044 0.139 1
1 594 . 10 1 1 A 79 79 LEU HA H 79 4.033 3.906 0.127 1
1 603 . 10 1 1 A 79 79 LEU N N 79 117.433 120.759 -3.326 1
1 604 . 10 1 1 A 80 80 ARG H H 80 7.546 7.585 -0.039 1
1 605 . 10 1 1 A 80 80 ARG HA H 80 3.960 4.056 -0.096 1
1 610 . 10 1 1 A 80 80 ARG N N 80 113.295 119.200 -5.905 1
1 611 . 10 1 1 A 81 81 ILE H H 81 7.280 7.677 -0.397 1
1 612 . 10 1 1 A 81 81 ILE HA H 81 3.987 3.903 0.084 1
1 622 . 10 1 1 A 81 81 ILE N N 81 115.559 119.008 -3.449 1
1 623 . 10 1 1 A 82 82 ARG H H 82 6.846 7.420 -0.574 1
1 624 . 10 1 1 A 82 82 ARG HA H 82 4.231 4.291 -0.060 1
1 631 . 10 1 1 A 82 82 ARG N N 82 119.695 123.097 -3.402 1
1 632 . 10 1 1 A 83 83 ASP H H 83 8.502 9.156 -0.654 1
1 633 . 10 1 1 A 83 83 ASP HA H 83 4.346 4.377 -0.031 1
1 636 . 10 1 1 A 83 83 ASP N N 83 123.697 124.827 -1.130 1
1 637 . 10 1 1 A 84 84 ASN H H 84 8.883 8.160 0.723 1
1 638 . 10 1 1 A 84 84 ASN HA H 84 4.822 4.686 0.136 1
1 643 . 10 1 1 A 84 84 ASN N N 84 112.236 117.173 -4.937 1
1 645 . 10 1 1 A 85 85 VAL H H 85 7.800 7.587 0.213 1
1 646 . 10 1 1 A 85 85 VAL HA H 85 4.048 4.095 -0.047 1
1 654 . 10 1 1 A 85 85 VAL N N 85 122.112 119.602 2.510 1
1 655 . 10 1 1 A 86 86 ARG H H 86 9.285 8.764 0.521 1
1 656 . 10 1 1 A 86 86 ARG HA H 86 4.432 4.459 -0.027 1
1 657 . 10 1 1 A 86 86 ARG N N 86 126.445 129.109 -2.664 1
1 658 . 10 1 1 A 87 87 ARG H H 87 7.671 7.624 0.047 1
1 659 . 10 1 1 A 87 87 ARG HA H 87 4.556 4.723 -0.167 1
1 666 . 10 1 1 A 87 87 ARG N N 87 116.855 118.284 -1.429 1
1 667 . 10 1 1 A 88 88 VAL H H 88 8.904 8.444 0.460 1
1 668 . 10 1 1 A 88 88 VAL HA H 88 4.834 4.768 0.066 1
1 676 . 10 1 1 A 88 88 VAL N N 88 123.751 122.681 1.070 1
1 677 . 10 1 1 A 89 89 MET H H 89 9.119 8.586 0.533 1
1 678 . 10 1 1 A 89 89 MET HA H 89 4.869 5.224 -0.355 1
1 683 . 10 1 1 A 89 89 MET N N 89 127.251 127.011 0.240 1
1 684 . 10 1 1 A 90 90 VAL H H 90 9.007 8.810 0.197 1
1 685 . 10 1 1 A 90 90 VAL HA H 90 4.962 4.624 0.338 1
1 693 . 10 1 1 A 90 90 VAL N N 90 127.769 125.424 2.345 1
1 694 . 10 1 1 A 91 91 VAL H H 91 9.195 8.854 0.341 1
1 695 . 10 1 1 A 91 91 VAL HA H 91 4.660 4.839 -0.179 1
1 703 . 10 1 1 A 91 91 VAL N N 91 126.267 121.358 4.909 1
1 704 . 10 1 1 A 92 92 LYS H H 92 8.914 8.401 0.513 1
1 705 . 10 1 1 A 92 92 LYS HA H 92 4.124 4.762 -0.638 1
1 712 . 10 1 1 A 92 92 LYS N N 92 126.996 123.844 3.152 1
1 713 . 10 1 1 A 93 93 SER H H 93 8.046 8.538 -0.492 1
1 714 . 10 1 1 A 93 93 SER HA H 93 4.396 5.225 -0.829 1
1 717 . 10 1 1 A 93 93 SER N N 93 120.732 114.197 6.535 1
1 718 . 10 1 1 A 94 94 GLN H H 94 8.806 9.054 -0.248 1
1 719 . 10 1 1 A 94 94 GLN HA H 94 4.316 5.115 -0.799 1
1 726 . 10 1 1 A 94 94 GLN N N 94 124.100 125.606 -1.506 1
1 728 . 10 1 1 A 95 95 GLU H H 95 8.481 8.713 -0.232 1
1 729 . 10 1 1 A 95 95 GLU HA H 95 4.579 4.881 -0.302 1
1 734 . 10 1 1 A 95 95 GLU N N 95 124.145 122.184 1.961 1
1 735 . 10 1 1 A 96 96 PRO HA H 96 4.408 4.959 -0.551 1
1 742 . 10 1 1 A 97 97 PHE H H 97 8.234 8.705 -0.471 1
1 743 . 10 1 1 A 97 97 PHE HA H 97 4.647 5.145 -0.498 1
1 748 . 10 1 1 A 97 97 PHE N N 97 120.145 124.034 -3.889 1
1 749 . 10 1 1 A 98 98 LEU H H 98 8.115 8.333 -0.218 1
1 750 . 10 1 1 A 98 98 LEU HA H 98 4.368 4.710 -0.342 1
1 759 . 10 1 1 A 98 98 LEU N N 98 125.838 127.923 -2.085 1
1 760 . 10 1 1 A 99 99 ALA H H 99 7.765 8.829 -1.064 1
1 761 . 10 1 1 A 99 99 ALA HA H 99 4.074 4.578 -0.504 1
1 2 . 11 1 1 A 2 2 ARG H H 2 8.836 8.459 0.377 1
1 3 . 11 1 1 A 2 2 ARG HA H 2 4.715 4.668 0.047 1
1 5 . 11 1 1 A 2 2 ARG N N 2 122.718 120.871 1.847 1
1 6 . 11 1 1 A 3 3 ARG H H 3 8.145 8.395 -0.250 1
1 7 . 11 1 1 A 3 3 ARG HA H 3 5.354 5.452 -0.098 1
1 11 . 11 1 1 A 3 3 ARG N N 3 121.051 117.038 4.013 1
1 12 . 11 1 1 A 4 4 TYR H H 4 9.186 8.830 0.356 1
1 13 . 11 1 1 A 4 4 TYR HA H 4 5.061 5.151 -0.090 1
1 20 . 11 1 1 A 4 4 TYR N N 4 122.362 119.652 2.710 1
1 21 . 11 1 1 A 5 5 GLU H H 5 9.357 8.681 0.676 1
1 22 . 11 1 1 A 5 5 GLU HA H 5 5.006 4.731 0.275 1
1 27 . 11 1 1 A 5 5 GLU N N 5 119.338 119.223 0.115 1
1 28 . 11 1 1 A 6 6 VAL H H 6 9.387 8.823 0.564 1
1 29 . 11 1 1 A 6 6 VAL HA H 6 4.481 4.665 -0.184 1
1 37 . 11 1 1 A 6 6 VAL N N 6 124.463 124.599 -0.136 1
1 38 . 11 1 1 A 7 7 ASN H H 7 9.059 9.734 -0.675 1
1 39 . 11 1 1 A 7 7 ASN HA H 7 5.550 5.016 0.534 1
1 44 . 11 1 1 A 7 7 ASN N N 7 125.802 127.627 -1.825 1
1 46 . 11 1 1 A 8 8 ILE H H 8 9.108 8.811 0.297 1
1 47 . 11 1 1 A 8 8 ILE HA H 8 4.851 4.882 -0.031 1
1 57 . 11 1 1 A 8 8 ILE N N 8 125.010 126.353 -1.343 1
1 58 . 11 1 1 A 9 9 VAL H H 9 8.669 8.380 0.289 1
1 59 . 11 1 1 A 9 9 VAL HA H 9 4.518 4.772 -0.254 1
1 67 . 11 1 1 A 9 9 VAL N N 9 125.755 128.972 -3.217 1
1 68 . 11 1 1 A 10 10 LEU H H 10 9.855 9.029 0.826 1
1 69 . 11 1 1 A 10 10 LEU HA H 10 5.341 5.634 -0.293 1
1 79 . 11 1 1 A 10 10 LEU N N 10 127.024 122.936 4.088 1
1 80 . 11 1 1 A 11 11 ASN H H 11 8.316 8.279 0.037 1
1 85 . 11 1 1 A 11 11 ASN N N 11 118.911 116.768 2.143 1
1 87 . 11 1 1 A 12 12 PRO HA H 12 4.471 4.605 -0.134 1
1 90 . 11 1 1 A 13 13 ASN H H 13 8.316 8.289 0.027 1
1 91 . 11 1 1 A 13 13 ASN HA H 13 4.813 4.603 0.210 1
1 96 . 11 1 1 A 13 13 ASN N N 13 118.703 119.340 -0.637 1
1 98 . 11 1 1 A 14 14 LEU H H 14 7.181 7.608 -0.427 1
1 99 . 11 1 1 A 14 14 LEU HA H 14 4.382 4.278 0.104 1
1 109 . 11 1 1 A 14 14 LEU N N 14 118.890 120.630 -1.740 1
1 110 . 11 1 1 A 15 15 ASP H H 15 8.671 8.635 0.036 1
1 111 . 11 1 1 A 15 15 ASP HA H 15 4.704 4.816 -0.112 1
1 114 . 11 1 1 A 15 15 ASP N N 15 122.145 120.971 1.174 1
1 115 . 11 1 1 A 16 16 GLN H H 16 8.549 8.922 -0.373 1
1 116 . 11 1 1 A 16 16 GLN HA H 16 3.939 4.076 -0.137 1
1 123 . 11 1 1 A 16 16 GLN N N 16 116.429 118.144 -1.715 1
1 125 . 11 1 1 A 17 17 SER H H 17 8.352 7.922 0.430 1
1 126 . 11 1 1 A 17 17 SER HA H 17 4.316 4.072 0.244 1
1 129 . 11 1 1 A 17 17 SER N N 17 117.102 114.860 2.242 1
1 130 . 11 1 1 A 18 18 GLN H H 18 8.683 9.403 -0.720 1
1 131 . 11 1 1 A 18 18 GLN HA H 18 4.065 4.097 -0.032 1
1 138 . 11 1 1 A 18 18 GLN N N 18 124.500 121.479 3.021 1
1 140 . 11 1 1 A 19 19 LEU H H 19 8.792 8.433 0.359 1
1 141 . 11 1 1 A 19 19 LEU HA H 19 3.793 4.095 -0.302 1
1 148 . 11 1 1 A 19 19 LEU N N 19 121.821 121.981 -0.160 1
1 149 . 11 1 1 A 20 20 ALA H H 20 7.823 8.301 -0.478 1
1 150 . 11 1 1 A 20 20 ALA HA H 20 4.014 3.987 0.027 1
1 154 . 11 1 1 A 20 20 ALA N N 20 120.183 121.220 -1.037 1
1 155 . 11 1 1 A 21 21 LEU H H 21 7.569 7.576 -0.007 1
1 156 . 11 1 1 A 21 21 LEU HA H 21 4.255 3.905 0.350 1
1 166 . 11 1 1 A 21 21 LEU N N 21 119.682 116.837 2.845 1
1 167 . 11 1 1 A 22 22 GLU H H 22 8.076 8.498 -0.422 1
1 168 . 11 1 1 A 22 22 GLU HA H 22 4.146 4.082 0.064 1
1 173 . 11 1 1 A 22 22 GLU N N 22 117.135 122.700 -5.565 1
1 174 . 11 1 1 A 23 23 LYS H H 23 8.400 7.692 0.708 1
1 175 . 11 1 1 A 23 23 LYS HA H 23 3.940 4.110 -0.170 1
1 182 . 11 1 1 A 23 23 LYS N N 23 117.328 119.071 -1.743 1
1 183 . 11 1 1 A 24 24 GLU H H 24 8.002 7.678 0.324 1
1 184 . 11 1 1 A 24 24 GLU HA H 24 4.134 4.156 -0.022 1
1 189 . 11 1 1 A 24 24 GLU N N 24 121.932 119.631 2.301 1
1 190 . 11 1 1 A 25 25 ILE H H 25 8.124 7.514 0.610 1
1 191 . 11 1 1 A 25 25 ILE HA H 25 3.628 3.688 -0.060 1
1 201 . 11 1 1 A 25 25 ILE N N 25 121.791 120.661 1.130 1
1 202 . 11 1 1 A 26 26 ILE H H 26 8.311 8.155 0.156 1
1 203 . 11 1 1 A 26 26 ILE HA H 26 3.421 3.448 -0.027 1
1 211 . 11 1 1 A 26 26 ILE N N 26 122.094 120.981 1.113 1
1 212 . 11 1 1 A 27 27 GLN H H 27 8.169 7.947 0.222 1
1 213 . 11 1 1 A 27 27 GLN HA H 27 3.769 3.827 -0.058 1
1 220 . 11 1 1 A 27 27 GLN N N 27 118.606 117.977 0.629 1
1 222 . 11 1 1 A 28 28 ARG H H 28 8.146 7.849 0.297 1
1 223 . 11 1 1 A 28 28 ARG HA H 28 4.125 4.056 0.069 1
1 230 . 11 1 1 A 28 28 ARG N N 28 118.685 118.561 0.124 1
1 231 . 11 1 1 A 29 29 ALA H H 29 8.176 8.280 -0.104 1
1 232 . 11 1 1 A 29 29 ALA HA H 29 4.318 4.120 0.198 1
1 236 . 11 1 1 A 29 29 ALA N N 29 123.579 122.117 1.462 1
1 237 . 11 1 1 A 30 30 LEU H H 30 8.415 7.991 0.424 1
1 238 . 11 1 1 A 30 30 LEU HA H 30 3.774 3.853 -0.079 1
1 248 . 11 1 1 A 30 30 LEU N N 30 116.873 118.328 -1.455 1
1 249 . 11 1 1 A 31 31 GLU H H 31 7.865 7.748 0.117 1
1 250 . 11 1 1 A 31 31 GLU HA H 31 4.172 4.037 0.135 1
1 255 . 11 1 1 A 31 31 GLU N N 31 117.422 118.963 -1.541 1
1 256 . 11 1 1 A 32 32 ASN H H 32 8.715 8.545 0.170 1
1 257 . 11 1 1 A 32 32 ASN HA H 32 4.434 4.475 -0.041 1
1 262 . 11 1 1 A 32 32 ASN N N 32 120.768 118.424 2.344 1
1 264 . 11 1 1 A 33 33 TYR H H 33 7.882 7.879 0.003 1
1 265 . 11 1 1 A 33 33 TYR HA H 33 4.321 4.551 -0.230 1
1 272 . 11 1 1 A 33 33 TYR N N 33 117.207 119.988 -2.781 1
1 273 . 11 1 1 A 34 34 GLY H H 34 7.668 8.205 -0.537 1
1 274 . 11 1 1 A 34 34 GLY HA2 H 34 3.796 3.782 0.014 1
1 275 . 11 1 1 A 34 34 GLY HA3 H 34 4.037 3.907 0.130 1
1 276 . 11 1 1 A 34 34 GLY N N 34 104.268 109.037 -4.769 1
1 277 . 11 1 1 A 35 35 ALA H H 35 8.373 7.996 0.377 1
1 278 . 11 1 1 A 35 35 ALA HA H 35 4.955 4.768 0.187 1
1 282 . 11 1 1 A 35 35 ALA N N 35 120.534 123.160 -2.626 1
1 283 . 11 1 1 A 36 36 ARG H H 36 9.073 8.768 0.305 1
1 284 . 11 1 1 A 36 36 ARG HA H 36 4.582 4.595 -0.013 1
1 289 . 11 1 1 A 36 36 ARG N N 36 123.245 123.710 -0.465 1
1 290 . 11 1 1 A 37 37 VAL H H 37 9.105 8.887 0.218 1
1 291 . 11 1 1 A 37 37 VAL HA H 37 4.011 4.882 -0.871 1
1 299 . 11 1 1 A 37 37 VAL N N 37 126.869 126.480 0.389 1
1 300 . 11 1 1 A 38 38 GLU H H 38 9.217 9.049 0.168 1
1 301 . 11 1 1 A 38 38 GLU HA H 38 4.395 4.649 -0.254 1
1 306 . 11 1 1 A 38 38 GLU N N 38 129.074 127.238 1.836 1
1 307 . 11 1 1 A 39 39 LYS H H 39 7.822 7.610 0.212 1
1 308 . 11 1 1 A 39 39 LYS HA H 39 4.672 4.933 -0.261 1
1 315 . 11 1 1 A 39 39 LYS N N 39 116.882 117.500 -0.618 1
1 316 . 11 1 1 A 40 40 VAL H H 40 8.412 8.672 -0.260 1
1 317 . 11 1 1 A 40 40 VAL HA H 40 4.892 4.545 0.347 1
1 325 . 11 1 1 A 40 40 VAL N N 40 121.731 117.938 3.793 1
1 326 . 11 1 1 A 41 41 GLU H H 41 9.523 9.075 0.448 1
1 327 . 11 1 1 A 41 41 GLU HA H 41 4.688 4.887 -0.199 1
1 332 . 11 1 1 A 41 41 GLU N N 41 126.064 124.243 1.821 1
1 333 . 11 1 1 A 42 42 GLU H H 42 9.049 8.812 0.237 1
1 334 . 11 1 1 A 42 42 GLU HA H 42 4.658 4.578 0.080 1
1 339 . 11 1 1 A 42 42 GLU N N 42 126.962 127.297 -0.335 1
1 340 . 11 1 1 A 43 43 LEU H H 43 7.887 8.877 -0.990 1
1 341 . 11 1 1 A 43 43 LEU HA H 43 4.252 4.402 -0.150 1
1 351 . 11 1 1 A 43 43 LEU N N 43 126.929 122.831 4.098 1
1 352 . 11 1 1 A 44 44 GLY H H 44 7.839 7.265 0.574 1
1 353 . 11 1 1 A 44 44 GLY HA2 H 44 2.380 3.979 -1.599 1
1 354 . 11 1 1 A 44 44 GLY HA3 H 44 3.940 4.015 -0.075 1
1 355 . 11 1 1 A 44 44 GLY N N 44 105.145 106.797 -1.652 1
1 356 . 11 1 1 A 45 45 LEU H H 45 8.579 8.522 0.057 1
1 357 . 11 1 1 A 45 45 LEU HA H 45 4.906 4.226 0.680 1
1 367 . 11 1 1 A 45 45 LEU N N 45 122.487 124.108 -1.621 1
1 368 . 11 1 1 A 46 46 ARG H H 46 8.899 9.185 -0.286 1
1 369 . 11 1 1 A 46 46 ARG HA H 46 4.584 4.405 0.179 1
1 374 . 11 1 1 A 46 46 ARG N N 46 123.175 125.299 -2.124 1
1 375 . 11 1 1 A 47 47 ARG H H 47 8.330 8.080 0.250 1
1 376 . 11 1 1 A 47 47 ARG HA H 47 4.429 4.033 0.396 1
1 381 . 11 1 1 A 47 47 ARG N N 47 120.447 117.350 3.097 1
1 382 . 11 1 1 A 48 48 LEU H H 48 8.348 8.109 0.239 1
1 383 . 11 1 1 A 48 48 LEU HA H 48 4.458 4.298 0.160 1
1 393 . 11 1 1 A 48 48 LEU N N 48 124.979 121.224 3.755 1
1 394 . 11 1 1 A 49 49 ALA H H 49 7.975 8.581 -0.606 1
1 395 . 11 1 1 A 49 49 ALA HA H 49 4.176 4.171 0.005 1
1 399 . 11 1 1 A 49 49 ALA N N 49 130.824 127.076 3.748 1
1 400 . 11 1 1 A 50 50 TYR H H 50 8.587 8.197 0.390 1
1 401 . 11 1 1 A 50 50 TYR HA H 50 4.656 4.537 0.119 1
1 404 . 11 1 1 A 50 50 TYR N N 50 122.514 115.807 6.707 1
1 405 . 11 1 1 A 51 51 PRO HA H 51 4.554 4.687 -0.133 1
1 406 . 11 1 1 A 52 52 ILE H H 52 8.262 8.734 -0.472 1
1 407 . 11 1 1 A 52 52 ILE HA H 52 4.182 4.512 -0.330 1
1 414 . 11 1 1 A 52 52 ILE N N 52 121.932 123.293 -1.361 1
1 415 . 11 1 1 A 53 53 ALA H H 53 8.420 9.344 -0.924 1
1 416 . 11 1 1 A 53 53 ALA HA H 53 4.359 3.959 0.400 1
1 420 . 11 1 1 A 53 53 ALA N N 53 128.607 131.665 -3.058 1
1 421 . 11 1 1 A 54 54 LYS H H 54 8.338 8.621 -0.283 1
1 422 . 11 1 1 A 54 54 LYS HA H 54 4.320 4.003 0.317 1
1 427 . 11 1 1 A 54 54 LYS N N 54 120.865 113.409 7.456 1
1 428 . 11 1 1 A 55 55 ASP H H 55 8.242 8.093 0.149 1
1 431 . 11 1 1 A 55 55 ASP N N 55 121.940 119.842 2.098 1
1 432 . 11 1 1 A 56 56 PRO HA H 56 4.541 4.570 -0.029 1
1 433 . 11 1 1 A 57 57 GLN H H 57 8.346 8.312 0.034 1
1 434 . 11 1 1 A 57 57 GLN HA H 57 5.113 4.569 0.544 1
1 441 . 11 1 1 A 57 57 GLN N N 57 119.306 117.650 1.656 1
1 443 . 11 1 1 A 58 58 GLY H H 58 8.724 8.199 0.525 1
1 444 . 11 1 1 A 58 58 GLY HA2 H 58 3.594 3.781 -0.187 1
1 445 . 11 1 1 A 58 58 GLY HA3 H 58 4.313 4.068 0.245 1
1 446 . 11 1 1 A 58 58 GLY N N 58 103.688 106.775 -3.087 1
1 447 . 11 1 1 A 59 59 TYR H H 59 8.941 8.229 0.712 1
1 448 . 11 1 1 A 59 59 TYR HA H 59 4.741 5.258 -0.517 1
1 453 . 11 1 1 A 59 59 TYR N N 59 123.537 122.845 0.692 1
1 454 . 11 1 1 A 60 60 PHE H H 60 9.215 8.563 0.652 1
1 455 . 11 1 1 A 60 60 PHE HA H 60 5.054 5.839 -0.785 1
1 460 . 11 1 1 A 60 60 PHE N N 60 130.526 121.012 9.514 1
1 461 . 11 1 1 A 61 61 LEU H H 61 9.388 9.176 0.212 1
1 462 . 11 1 1 A 61 61 LEU HA H 61 5.047 5.193 -0.146 1
1 472 . 11 1 1 A 61 61 LEU N N 61 123.595 118.964 4.631 1
1 473 . 11 1 1 A 62 62 TRP H H 62 8.752 8.947 -0.195 1
1 474 . 11 1 1 A 62 62 TRP HA H 62 5.554 5.692 -0.138 1
1 481 . 11 1 1 A 62 62 TRP N N 62 125.081 124.508 0.573 1
1 483 . 11 1 1 A 63 63 TYR H H 63 8.592 8.816 -0.224 1
1 484 . 11 1 1 A 63 63 TYR HA H 63 4.972 5.066 -0.094 1
1 491 . 11 1 1 A 63 63 TYR N N 63 123.346 125.868 -2.522 1
1 492 . 11 1 1 A 64 64 GLN H H 64 8.604 9.216 -0.612 1
1 493 . 11 1 1 A 64 64 GLN HA H 64 4.866 4.395 0.471 1
1 500 . 11 1 1 A 64 64 GLN N N 64 123.079 121.317 1.762 1
1 502 . 11 1 1 A 65 65 VAL H H 65 9.204 8.874 0.330 1
1 503 . 11 1 1 A 65 65 VAL HA H 65 5.672 5.414 0.258 1
1 511 . 11 1 1 A 65 65 VAL N N 65 119.156 118.129 1.027 1
1 512 . 11 1 1 A 66 66 GLU H H 66 8.635 8.700 -0.065 1
1 513 . 11 1 1 A 66 66 GLU HA H 66 5.333 5.028 0.305 1
1 518 . 11 1 1 A 66 66 GLU N N 66 121.502 121.583 -0.081 1
1 519 . 11 1 1 A 67 67 MET H H 67 9.480 8.116 1.364 1
1 520 . 11 1 1 A 67 67 MET N N 67 122.258 124.699 -2.441 1
1 521 . 11 1 1 A 68 68 PRO HA H 68 4.562 4.658 -0.096 1
1 522 . 11 1 1 A 69 69 GLU H H 69 10.059 8.762 1.297 1
1 523 . 11 1 1 A 69 69 GLU HA H 69 4.442 4.011 0.431 1
1 528 . 11 1 1 A 69 69 GLU N N 69 126.845 121.968 4.877 1
1 529 . 11 1 1 A 70 70 ASP H H 70 8.763 8.605 0.158 1
1 530 . 11 1 1 A 70 70 ASP HA H 70 4.568 4.293 0.275 1
1 533 . 11 1 1 A 70 70 ASP N N 70 115.710 120.403 -4.693 1
1 534 . 11 1 1 A 71 71 ARG H H 71 7.679 8.051 -0.372 1
1 535 . 11 1 1 A 71 71 ARG HA H 71 4.853 4.139 0.714 1
1 536 . 11 1 1 A 71 71 ARG N N 71 116.513 119.844 -3.331 1
1 537 . 11 1 1 A 72 72 VAL H H 72 6.949 7.810 -0.861 1
1 538 . 11 1 1 A 72 72 VAL HA H 72 3.287 3.735 -0.448 1
1 546 . 11 1 1 A 72 72 VAL N N 72 119.962 118.411 1.551 1
1 547 . 11 1 1 A 73 73 ASN H H 73 8.292 8.351 -0.059 1
1 548 . 11 1 1 A 73 73 ASN HA H 73 4.378 4.413 -0.035 1
1 553 . 11 1 1 A 73 73 ASN N N 73 117.910 119.507 -1.597 1
1 555 . 11 1 1 A 74 74 ASP H H 74 7.985 8.217 -0.232 1
1 556 . 11 1 1 A 74 74 ASP HA H 74 4.325 4.371 -0.046 1
1 559 . 11 1 1 A 74 74 ASP N N 74 121.962 120.159 1.803 1
1 560 . 11 1 1 A 75 75 LEU H H 75 7.519 8.170 -0.651 1
1 561 . 11 1 1 A 75 75 LEU HA H 75 3.060 3.874 -0.814 1
1 570 . 11 1 1 A 75 75 LEU N N 75 122.206 120.916 1.290 1
1 571 . 11 1 1 A 76 76 ALA H H 76 7.936 8.509 -0.573 1
1 572 . 11 1 1 A 76 76 ALA HA H 76 3.582 3.932 -0.350 1
1 576 . 11 1 1 A 76 76 ALA N N 76 119.529 120.865 -1.336 1
1 577 . 11 1 1 A 77 77 ARG H H 77 7.619 7.931 -0.312 1
1 578 . 11 1 1 A 77 77 ARG HA H 77 3.852 4.016 -0.164 1
1 585 . 11 1 1 A 77 77 ARG N N 77 115.626 118.348 -2.722 1
1 586 . 11 1 1 A 78 78 GLU H H 78 7.739 7.861 -0.122 1
1 587 . 11 1 1 A 78 78 GLU HA H 78 4.000 4.051 -0.051 1
1 592 . 11 1 1 A 78 78 GLU N N 78 119.427 118.744 0.683 1
1 593 . 11 1 1 A 79 79 LEU H H 79 8.183 8.295 -0.112 1
1 594 . 11 1 1 A 79 79 LEU HA H 79 4.033 3.958 0.075 1
1 603 . 11 1 1 A 79 79 LEU N N 79 117.433 120.359 -2.926 1
1 604 . 11 1 1 A 80 80 ARG H H 80 7.546 8.226 -0.680 1
1 605 . 11 1 1 A 80 80 ARG HA H 80 3.960 4.064 -0.104 1
1 610 . 11 1 1 A 80 80 ARG N N 80 113.295 119.349 -6.054 1
1 611 . 11 1 1 A 81 81 ILE H H 81 7.280 7.321 -0.041 1
1 612 . 11 1 1 A 81 81 ILE HA H 81 3.987 4.088 -0.101 1
1 622 . 11 1 1 A 81 81 ILE N N 81 115.559 118.677 -3.118 1
1 623 . 11 1 1 A 82 82 ARG H H 82 6.846 7.387 -0.541 1
1 624 . 11 1 1 A 82 82 ARG HA H 82 4.231 4.219 0.012 1
1 631 . 11 1 1 A 82 82 ARG N N 82 119.695 123.156 -3.461 1
1 632 . 11 1 1 A 83 83 ASP H H 83 8.502 9.016 -0.514 1
1 633 . 11 1 1 A 83 83 ASP HA H 83 4.346 4.264 0.082 1
1 636 . 11 1 1 A 83 83 ASP N N 83 123.697 126.958 -3.261 1
1 637 . 11 1 1 A 84 84 ASN H H 84 8.883 8.112 0.771 1
1 638 . 11 1 1 A 84 84 ASN HA H 84 4.822 4.669 0.153 1
1 643 . 11 1 1 A 84 84 ASN N N 84 112.236 116.394 -4.158 1
1 645 . 11 1 1 A 85 85 VAL H H 85 7.800 7.569 0.231 1
1 646 . 11 1 1 A 85 85 VAL HA H 85 4.048 4.222 -0.174 1
1 654 . 11 1 1 A 85 85 VAL N N 85 122.112 118.766 3.346 1
1 655 . 11 1 1 A 86 86 ARG H H 86 9.285 8.579 0.706 1
1 656 . 11 1 1 A 86 86 ARG HA H 86 4.432 4.448 -0.016 1
1 657 . 11 1 1 A 86 86 ARG N N 86 126.445 129.026 -2.581 1
1 658 . 11 1 1 A 87 87 ARG H H 87 7.671 7.648 0.023 1
1 659 . 11 1 1 A 87 87 ARG HA H 87 4.556 4.952 -0.396 1
1 666 . 11 1 1 A 87 87 ARG N N 87 116.855 117.060 -0.205 1
1 667 . 11 1 1 A 88 88 VAL H H 88 8.904 8.581 0.323 1
1 668 . 11 1 1 A 88 88 VAL HA H 88 4.834 4.852 -0.018 1
1 676 . 11 1 1 A 88 88 VAL N N 88 123.751 121.008 2.743 1
1 677 . 11 1 1 A 89 89 MET H H 89 9.119 9.100 0.019 1
1 678 . 11 1 1 A 89 89 MET HA H 89 4.869 5.147 -0.278 1
1 683 . 11 1 1 A 89 89 MET N N 89 127.251 127.157 0.094 1
1 684 . 11 1 1 A 90 90 VAL H H 90 9.007 8.970 0.037 1
1 685 . 11 1 1 A 90 90 VAL HA H 90 4.962 4.772 0.190 1
1 693 . 11 1 1 A 90 90 VAL N N 90 127.769 126.282 1.487 1
1 694 . 11 1 1 A 91 91 VAL H H 91 9.195 8.983 0.212 1
1 695 . 11 1 1 A 91 91 VAL HA H 91 4.660 4.581 0.079 1
1 703 . 11 1 1 A 91 91 VAL N N 91 126.267 129.354 -3.087 1
1 704 . 11 1 1 A 92 92 LYS H H 92 8.914 8.178 0.736 1
1 705 . 11 1 1 A 92 92 LYS HA H 92 4.124 4.498 -0.374 1
1 712 . 11 1 1 A 92 92 LYS N N 92 126.996 124.943 2.053 1
1 713 . 11 1 1 A 93 93 SER H H 93 8.046 8.946 -0.900 1
1 714 . 11 1 1 A 93 93 SER HA H 93 4.396 4.801 -0.405 1
1 717 . 11 1 1 A 93 93 SER N N 93 120.732 116.105 4.627 1
1 718 . 11 1 1 A 94 94 GLN H H 94 8.806 8.353 0.453 1
1 719 . 11 1 1 A 94 94 GLN HA H 94 4.316 4.691 -0.375 1
1 726 . 11 1 1 A 94 94 GLN N N 94 124.100 123.471 0.629 1
1 728 . 11 1 1 A 95 95 GLU H H 95 8.481 8.448 0.033 1
1 729 . 11 1 1 A 95 95 GLU HA H 95 4.579 4.402 0.177 1
1 734 . 11 1 1 A 95 95 GLU N N 95 124.145 120.712 3.433 1
1 735 . 11 1 1 A 96 96 PRO HA H 96 4.408 4.874 -0.466 1
1 742 . 11 1 1 A 97 97 PHE H H 97 8.234 8.736 -0.502 1
1 743 . 11 1 1 A 97 97 PHE HA H 97 4.647 5.053 -0.406 1
1 748 . 11 1 1 A 97 97 PHE N N 97 120.145 123.128 -2.983 1
1 749 . 11 1 1 A 98 98 LEU H H 98 8.115 8.921 -0.806 1
1 750 . 11 1 1 A 98 98 LEU HA H 98 4.368 5.179 -0.811 1
1 759 . 11 1 1 A 98 98 LEU N N 98 125.838 124.006 1.832 1
1 760 . 11 1 1 A 99 99 ALA H H 99 7.765 8.864 -1.099 1
1 761 . 11 1 1 A 99 99 ALA HA H 99 4.074 4.466 -0.392 1
1 2 . 12 1 1 A 2 2 ARG H H 2 8.836 7.424 1.412 1
1 3 . 12 1 1 A 2 2 ARG HA H 2 4.715 4.411 0.304 1
1 5 . 12 1 1 A 2 2 ARG N N 2 122.718 118.923 3.795 1
1 6 . 12 1 1 A 3 3 ARG H H 3 8.145 8.251 -0.106 1
1 7 . 12 1 1 A 3 3 ARG HA H 3 5.354 5.276 0.078 1
1 11 . 12 1 1 A 3 3 ARG N N 3 121.051 122.353 -1.302 1
1 12 . 12 1 1 A 4 4 TYR H H 4 9.186 9.045 0.141 1
1 13 . 12 1 1 A 4 4 TYR HA H 4 5.061 5.072 -0.011 1
1 20 . 12 1 1 A 4 4 TYR N N 4 122.362 122.566 -0.204 1
1 21 . 12 1 1 A 5 5 GLU H H 5 9.357 9.278 0.079 1
1 22 . 12 1 1 A 5 5 GLU HA H 5 5.006 5.004 0.002 1
1 27 . 12 1 1 A 5 5 GLU N N 5 119.338 120.896 -1.558 1
1 28 . 12 1 1 A 6 6 VAL H H 6 9.387 8.929 0.458 1
1 29 . 12 1 1 A 6 6 VAL HA H 6 4.481 4.516 -0.035 1
1 37 . 12 1 1 A 6 6 VAL N N 6 124.463 124.687 -0.224 1
1 38 . 12 1 1 A 7 7 ASN H H 7 9.059 9.219 -0.160 1
1 39 . 12 1 1 A 7 7 ASN HA H 7 5.550 5.596 -0.046 1
1 44 . 12 1 1 A 7 7 ASN N N 7 125.802 126.483 -0.681 1
1 46 . 12 1 1 A 8 8 ILE H H 8 9.108 9.007 0.101 1
1 47 . 12 1 1 A 8 8 ILE HA H 8 4.851 4.920 -0.069 1
1 57 . 12 1 1 A 8 8 ILE N N 8 125.010 124.487 0.523 1
1 58 . 12 1 1 A 9 9 VAL H H 9 8.669 9.201 -0.532 1
1 59 . 12 1 1 A 9 9 VAL HA H 9 4.518 4.928 -0.410 1
1 67 . 12 1 1 A 9 9 VAL N N 9 125.755 128.489 -2.734 1
1 68 . 12 1 1 A 10 10 LEU H H 10 9.855 9.077 0.778 1
1 69 . 12 1 1 A 10 10 LEU HA H 10 5.341 5.207 0.134 1
1 79 . 12 1 1 A 10 10 LEU N N 10 127.024 129.925 -2.901 1
1 80 . 12 1 1 A 11 11 ASN H H 11 8.316 8.388 -0.072 1
1 85 . 12 1 1 A 11 11 ASN N N 11 118.911 120.464 -1.553 1
1 87 . 12 1 1 A 12 12 PRO HA H 12 4.471 4.602 -0.131 1
1 90 . 12 1 1 A 13 13 ASN H H 13 8.316 8.193 0.123 1
1 91 . 12 1 1 A 13 13 ASN HA H 13 4.813 4.888 -0.075 1
1 96 . 12 1 1 A 13 13 ASN N N 13 118.703 119.446 -0.743 1
1 98 . 12 1 1 A 14 14 LEU H H 14 7.181 7.307 -0.126 1
1 99 . 12 1 1 A 14 14 LEU HA H 14 4.382 4.800 -0.418 1
1 109 . 12 1 1 A 14 14 LEU N N 14 118.890 116.596 2.294 1
1 110 . 12 1 1 A 15 15 ASP H H 15 8.671 8.468 0.203 1
1 111 . 12 1 1 A 15 15 ASP HA H 15 4.704 4.919 -0.215 1
1 114 . 12 1 1 A 15 15 ASP N N 15 122.145 120.096 2.049 1
1 115 . 12 1 1 A 16 16 GLN H H 16 8.549 8.819 -0.270 1
1 116 . 12 1 1 A 16 16 GLN HA H 16 3.939 3.915 0.024 1
1 123 . 12 1 1 A 16 16 GLN N N 16 116.429 120.057 -3.628 1
1 125 . 12 1 1 A 17 17 SER H H 17 8.352 7.982 0.370 1
1 126 . 12 1 1 A 17 17 SER HA H 17 4.316 4.105 0.211 1
1 129 . 12 1 1 A 17 17 SER N N 17 117.102 115.808 1.294 1
1 130 . 12 1 1 A 18 18 GLN H H 18 8.683 8.083 0.600 1
1 131 . 12 1 1 A 18 18 GLN HA H 18 4.065 4.055 0.010 1
1 138 . 12 1 1 A 18 18 GLN N N 18 124.500 121.452 3.048 1
1 140 . 12 1 1 A 19 19 LEU H H 19 8.792 8.087 0.705 1
1 141 . 12 1 1 A 19 19 LEU HA H 19 3.793 4.074 -0.281 1
1 148 . 12 1 1 A 19 19 LEU N N 19 121.821 121.866 -0.045 1
1 149 . 12 1 1 A 20 20 ALA H H 20 7.823 8.737 -0.914 1
1 150 . 12 1 1 A 20 20 ALA HA H 20 4.014 4.022 -0.008 1
1 154 . 12 1 1 A 20 20 ALA N N 20 120.183 120.504 -0.321 1
1 155 . 12 1 1 A 21 21 LEU H H 21 7.569 7.459 0.110 1
1 156 . 12 1 1 A 21 21 LEU HA H 21 4.255 3.932 0.323 1
1 166 . 12 1 1 A 21 21 LEU N N 21 119.682 116.996 2.686 1
1 167 . 12 1 1 A 22 22 GLU H H 22 8.076 8.742 -0.666 1
1 168 . 12 1 1 A 22 22 GLU HA H 22 4.146 4.060 0.086 1
1 173 . 12 1 1 A 22 22 GLU N N 22 117.135 122.812 -5.677 1
1 174 . 12 1 1 A 23 23 LYS H H 23 8.400 7.913 0.487 1
1 175 . 12 1 1 A 23 23 LYS HA H 23 3.940 3.984 -0.044 1
1 182 . 12 1 1 A 23 23 LYS N N 23 117.328 120.265 -2.937 1
1 183 . 12 1 1 A 24 24 GLU H H 24 8.002 7.367 0.635 1
1 184 . 12 1 1 A 24 24 GLU HA H 24 4.134 4.050 0.084 1
1 189 . 12 1 1 A 24 24 GLU N N 24 121.932 118.777 3.155 1
1 190 . 12 1 1 A 25 25 ILE H H 25 8.124 7.521 0.603 1
1 191 . 12 1 1 A 25 25 ILE HA H 25 3.628 3.686 -0.058 1
1 201 . 12 1 1 A 25 25 ILE N N 25 121.791 118.827 2.964 1
1 202 . 12 1 1 A 26 26 ILE H H 26 8.311 8.581 -0.270 1
1 203 . 12 1 1 A 26 26 ILE HA H 26 3.421 3.503 -0.082 1
1 211 . 12 1 1 A 26 26 ILE N N 26 122.094 121.357 0.737 1
1 212 . 12 1 1 A 27 27 GLN H H 27 8.169 8.215 -0.046 1
1 213 . 12 1 1 A 27 27 GLN HA H 27 3.769 3.973 -0.204 1
1 220 . 12 1 1 A 27 27 GLN N N 27 118.606 119.474 -0.868 1
1 222 . 12 1 1 A 28 28 ARG H H 28 8.146 7.596 0.550 1
1 223 . 12 1 1 A 28 28 ARG HA H 28 4.125 4.075 0.050 1
1 230 . 12 1 1 A 28 28 ARG N N 28 118.685 118.469 0.216 1
1 231 . 12 1 1 A 29 29 ALA H H 29 8.176 8.215 -0.039 1
1 232 . 12 1 1 A 29 29 ALA HA H 29 4.318 4.025 0.293 1
1 236 . 12 1 1 A 29 29 ALA N N 29 123.579 122.657 0.922 1
1 237 . 12 1 1 A 30 30 LEU H H 30 8.415 8.287 0.128 1
1 238 . 12 1 1 A 30 30 LEU HA H 30 3.774 3.960 -0.186 1
1 248 . 12 1 1 A 30 30 LEU N N 30 116.873 116.926 -0.053 1
1 249 . 12 1 1 A 31 31 GLU H H 31 7.865 8.102 -0.237 1
1 250 . 12 1 1 A 31 31 GLU HA H 31 4.172 4.018 0.154 1
1 255 . 12 1 1 A 31 31 GLU N N 31 117.422 119.732 -2.310 1
1 256 . 12 1 1 A 32 32 ASN H H 32 8.715 8.169 0.546 1
1 257 . 12 1 1 A 32 32 ASN HA H 32 4.434 4.452 -0.018 1
1 262 . 12 1 1 A 32 32 ASN N N 32 120.768 118.563 2.205 1
1 264 . 12 1 1 A 33 33 TYR H H 33 7.882 8.174 -0.292 1
1 265 . 12 1 1 A 33 33 TYR HA H 33 4.321 4.539 -0.218 1
1 272 . 12 1 1 A 33 33 TYR N N 33 117.207 118.202 -0.995 1
1 273 . 12 1 1 A 34 34 GLY H H 34 7.668 8.912 -1.244 1
1 274 . 12 1 1 A 34 34 GLY HA2 H 34 3.796 3.895 -0.099 1
1 275 . 12 1 1 A 34 34 GLY HA3 H 34 4.037 3.921 0.116 1
1 276 . 12 1 1 A 34 34 GLY N N 34 104.268 108.904 -4.636 1
1 277 . 12 1 1 A 35 35 ALA H H 35 8.373 7.627 0.746 1
1 278 . 12 1 1 A 35 35 ALA HA H 35 4.955 4.716 0.239 1
1 282 . 12 1 1 A 35 35 ALA N N 35 120.534 122.576 -2.042 1
1 283 . 12 1 1 A 36 36 ARG H H 36 9.073 8.923 0.150 1
1 284 . 12 1 1 A 36 36 ARG HA H 36 4.582 5.020 -0.438 1
1 289 . 12 1 1 A 36 36 ARG N N 36 123.245 122.685 0.560 1
1 290 . 12 1 1 A 37 37 VAL H H 37 9.105 9.019 0.086 1
1 291 . 12 1 1 A 37 37 VAL HA H 37 4.011 4.274 -0.263 1
1 299 . 12 1 1 A 37 37 VAL N N 37 126.869 123.929 2.940 1
1 300 . 12 1 1 A 38 38 GLU H H 38 9.217 9.629 -0.412 1
1 301 . 12 1 1 A 38 38 GLU HA H 38 4.395 4.538 -0.143 1
1 306 . 12 1 1 A 38 38 GLU N N 38 129.074 128.230 0.844 1
1 307 . 12 1 1 A 39 39 LYS H H 39 7.822 7.530 0.292 1
1 308 . 12 1 1 A 39 39 LYS HA H 39 4.672 4.714 -0.042 1
1 315 . 12 1 1 A 39 39 LYS N N 39 116.882 118.023 -1.141 1
1 316 . 12 1 1 A 40 40 VAL H H 40 8.412 8.934 -0.522 1
1 317 . 12 1 1 A 40 40 VAL HA H 40 4.892 4.379 0.513 1
1 325 . 12 1 1 A 40 40 VAL N N 40 121.731 124.333 -2.602 1
1 326 . 12 1 1 A 41 41 GLU H H 41 9.523 8.824 0.699 1
1 327 . 12 1 1 A 41 41 GLU HA H 41 4.688 4.879 -0.191 1
1 332 . 12 1 1 A 41 41 GLU N N 41 126.064 130.291 -4.227 1
1 333 . 12 1 1 A 42 42 GLU H H 42 9.049 8.867 0.182 1
1 334 . 12 1 1 A 42 42 GLU HA H 42 4.658 4.482 0.176 1
1 339 . 12 1 1 A 42 42 GLU N N 42 126.962 127.899 -0.937 1
1 340 . 12 1 1 A 43 43 LEU H H 43 7.887 9.008 -1.121 1
1 341 . 12 1 1 A 43 43 LEU HA H 43 4.252 4.138 0.114 1
1 351 . 12 1 1 A 43 43 LEU N N 43 126.929 126.448 0.481 1
1 352 . 12 1 1 A 44 44 GLY H H 44 7.839 7.953 -0.114 1
1 353 . 12 1 1 A 44 44 GLY HA2 H 44 2.380 4.042 -1.662 1
1 354 . 12 1 1 A 44 44 GLY HA3 H 44 3.940 4.108 -0.168 1
1 355 . 12 1 1 A 44 44 GLY N N 44 105.145 106.661 -1.516 1
1 356 . 12 1 1 A 45 45 LEU H H 45 8.579 8.272 0.307 1
1 357 . 12 1 1 A 45 45 LEU HA H 45 4.906 4.014 0.892 1
1 367 . 12 1 1 A 45 45 LEU N N 45 122.487 118.826 3.661 1
1 368 . 12 1 1 A 46 46 ARG H H 46 8.899 7.338 1.561 1
1 369 . 12 1 1 A 46 46 ARG HA H 46 4.584 4.746 -0.162 1
1 374 . 12 1 1 A 46 46 ARG N N 46 123.175 115.482 7.693 1
1 375 . 12 1 1 A 47 47 ARG H H 47 8.330 8.800 -0.470 1
1 376 . 12 1 1 A 47 47 ARG HA H 47 4.429 5.084 -0.655 1
1 381 . 12 1 1 A 47 47 ARG N N 47 120.447 118.953 1.494 1
1 382 . 12 1 1 A 48 48 LEU H H 48 8.348 8.593 -0.245 1
1 383 . 12 1 1 A 48 48 LEU HA H 48 4.458 4.646 -0.188 1
1 393 . 12 1 1 A 48 48 LEU N N 48 124.979 122.219 2.760 1
1 394 . 12 1 1 A 49 49 ALA H H 49 7.975 8.653 -0.678 1
1 395 . 12 1 1 A 49 49 ALA HA H 49 4.176 4.779 -0.603 1
1 399 . 12 1 1 A 49 49 ALA N N 49 130.824 127.015 3.809 1
1 400 . 12 1 1 A 50 50 TYR H H 50 8.587 9.040 -0.453 1
1 401 . 12 1 1 A 50 50 TYR HA H 50 4.656 4.244 0.412 1
1 404 . 12 1 1 A 50 50 TYR N N 50 122.514 120.322 2.192 1
1 405 . 12 1 1 A 51 51 PRO HA H 51 4.554 4.568 -0.014 1
1 406 . 12 1 1 A 52 52 ILE H H 52 8.262 8.313 -0.051 1
1 407 . 12 1 1 A 52 52 ILE HA H 52 4.182 4.012 0.170 1
1 414 . 12 1 1 A 52 52 ILE N N 52 121.932 123.068 -1.136 1
1 415 . 12 1 1 A 53 53 ALA H H 53 8.420 8.832 -0.412 1
1 416 . 12 1 1 A 53 53 ALA HA H 53 4.359 4.635 -0.276 1
1 420 . 12 1 1 A 53 53 ALA N N 53 128.607 131.096 -2.489 1
1 421 . 12 1 1 A 54 54 LYS H H 54 8.338 8.106 0.232 1
1 422 . 12 1 1 A 54 54 LYS HA H 54 4.320 4.278 0.042 1
1 427 . 12 1 1 A 54 54 LYS N N 54 120.865 120.292 0.573 1
1 428 . 12 1 1 A 55 55 ASP H H 55 8.242 8.343 -0.101 1
1 431 . 12 1 1 A 55 55 ASP N N 55 121.940 122.868 -0.928 1
1 432 . 12 1 1 A 56 56 PRO HA H 56 4.541 4.808 -0.267 1
1 433 . 12 1 1 A 57 57 GLN H H 57 8.346 8.377 -0.031 1
1 434 . 12 1 1 A 57 57 GLN HA H 57 5.113 4.427 0.686 1
1 441 . 12 1 1 A 57 57 GLN N N 57 119.306 119.057 0.249 1
1 443 . 12 1 1 A 58 58 GLY H H 58 8.724 8.572 0.152 1
1 444 . 12 1 1 A 58 58 GLY HA2 H 58 3.594 4.472 -0.878 1
1 445 . 12 1 1 A 58 58 GLY HA3 H 58 4.313 4.486 -0.173 1
1 446 . 12 1 1 A 58 58 GLY N N 58 103.688 110.069 -6.381 1
1 447 . 12 1 1 A 59 59 TYR H H 59 8.941 8.994 -0.053 1
1 448 . 12 1 1 A 59 59 TYR HA H 59 4.741 5.305 -0.564 1
1 453 . 12 1 1 A 59 59 TYR N N 59 123.537 123.432 0.105 1
1 454 . 12 1 1 A 60 60 PHE H H 60 9.215 9.103 0.112 1
1 455 . 12 1 1 A 60 60 PHE HA H 60 5.054 5.113 -0.059 1
1 460 . 12 1 1 A 60 60 PHE N N 60 130.526 130.651 -0.125 1
1 461 . 12 1 1 A 61 61 LEU H H 61 9.388 9.017 0.371 1
1 462 . 12 1 1 A 61 61 LEU HA H 61 5.047 4.948 0.099 1
1 472 . 12 1 1 A 61 61 LEU N N 61 123.595 122.119 1.476 1
1 473 . 12 1 1 A 62 62 TRP H H 62 8.752 8.189 0.563 1
1 474 . 12 1 1 A 62 62 TRP HA H 62 5.554 5.528 0.026 1
1 481 . 12 1 1 A 62 62 TRP N N 62 125.081 125.524 -0.443 1
1 483 . 12 1 1 A 63 63 TYR H H 63 8.592 8.962 -0.370 1
1 484 . 12 1 1 A 63 63 TYR HA H 63 4.972 5.198 -0.226 1
1 491 . 12 1 1 A 63 63 TYR N N 63 123.346 125.705 -2.359 1
1 492 . 12 1 1 A 64 64 GLN H H 64 8.604 8.590 0.014 1
1 493 . 12 1 1 A 64 64 GLN HA H 64 4.866 4.582 0.284 1
1 500 . 12 1 1 A 64 64 GLN N N 64 123.079 121.722 1.357 1
1 502 . 12 1 1 A 65 65 VAL H H 65 9.204 9.012 0.192 1
1 503 . 12 1 1 A 65 65 VAL HA H 65 5.672 5.495 0.177 1
1 511 . 12 1 1 A 65 65 VAL N N 65 119.156 118.227 0.929 1
1 512 . 12 1 1 A 66 66 GLU H H 66 8.635 8.783 -0.148 1
1 513 . 12 1 1 A 66 66 GLU HA H 66 5.333 5.035 0.298 1
1 518 . 12 1 1 A 66 66 GLU N N 66 121.502 121.408 0.094 1
1 519 . 12 1 1 A 67 67 MET H H 67 9.480 8.296 1.184 1
1 520 . 12 1 1 A 67 67 MET N N 67 122.258 123.095 -0.837 1
1 521 . 12 1 1 A 68 68 PRO HA H 68 4.562 4.603 -0.041 1
1 522 . 12 1 1 A 69 69 GLU H H 69 10.059 8.666 1.393 1
1 523 . 12 1 1 A 69 69 GLU HA H 69 4.442 3.936 0.506 1
1 528 . 12 1 1 A 69 69 GLU N N 69 126.845 121.818 5.027 1
1 529 . 12 1 1 A 70 70 ASP H H 70 8.763 8.355 0.408 1
1 530 . 12 1 1 A 70 70 ASP HA H 70 4.568 4.347 0.221 1
1 533 . 12 1 1 A 70 70 ASP N N 70 115.710 120.242 -4.532 1
1 534 . 12 1 1 A 71 71 ARG H H 71 7.679 7.669 0.010 1
1 535 . 12 1 1 A 71 71 ARG HA H 71 4.853 4.103 0.750 1
1 536 . 12 1 1 A 71 71 ARG N N 71 116.513 118.429 -1.916 1
1 537 . 12 1 1 A 72 72 VAL H H 72 6.949 7.640 -0.691 1
1 538 . 12 1 1 A 72 72 VAL HA H 72 3.287 3.616 -0.329 1
1 546 . 12 1 1 A 72 72 VAL N N 72 119.962 119.846 0.116 1
1 547 . 12 1 1 A 73 73 ASN H H 73 8.292 8.186 0.106 1
1 548 . 12 1 1 A 73 73 ASN HA H 73 4.378 4.397 -0.019 1
1 553 . 12 1 1 A 73 73 ASN N N 73 117.910 119.398 -1.488 1
1 555 . 12 1 1 A 74 74 ASP H H 74 7.985 8.111 -0.126 1
1 556 . 12 1 1 A 74 74 ASP HA H 74 4.325 4.333 -0.008 1
1 559 . 12 1 1 A 74 74 ASP N N 74 121.962 119.523 2.439 1
1 560 . 12 1 1 A 75 75 LEU H H 75 7.519 8.362 -0.843 1
1 561 . 12 1 1 A 75 75 LEU HA H 75 3.060 3.910 -0.850 1
1 570 . 12 1 1 A 75 75 LEU N N 75 122.206 119.442 2.764 1
1 571 . 12 1 1 A 76 76 ALA H H 76 7.936 8.089 -0.153 1
1 572 . 12 1 1 A 76 76 ALA HA H 76 3.582 4.014 -0.432 1
1 576 . 12 1 1 A 76 76 ALA N N 76 119.529 122.250 -2.721 1
1 577 . 12 1 1 A 77 77 ARG H H 77 7.619 7.904 -0.285 1
1 578 . 12 1 1 A 77 77 ARG HA H 77 3.852 4.217 -0.365 1
1 585 . 12 1 1 A 77 77 ARG N N 77 115.626 117.589 -1.963 1
1 586 . 12 1 1 A 78 78 GLU H H 78 7.739 7.722 0.017 1
1 587 . 12 1 1 A 78 78 GLU HA H 78 4.000 4.141 -0.141 1
1 592 . 12 1 1 A 78 78 GLU N N 78 119.427 121.064 -1.637 1
1 593 . 12 1 1 A 79 79 LEU H H 79 8.183 8.319 -0.136 1
1 594 . 12 1 1 A 79 79 LEU HA H 79 4.033 3.925 0.108 1
1 603 . 12 1 1 A 79 79 LEU N N 79 117.433 120.521 -3.088 1
1 604 . 12 1 1 A 80 80 ARG H H 80 7.546 7.815 -0.269 1
1 605 . 12 1 1 A 80 80 ARG HA H 80 3.960 4.075 -0.115 1
1 610 . 12 1 1 A 80 80 ARG N N 80 113.295 118.898 -5.603 1
1 611 . 12 1 1 A 81 81 ILE H H 81 7.280 7.430 -0.150 1
1 612 . 12 1 1 A 81 81 ILE HA H 81 3.987 4.143 -0.156 1
1 622 . 12 1 1 A 81 81 ILE N N 81 115.559 117.615 -2.056 1
1 623 . 12 1 1 A 82 82 ARG H H 82 6.846 7.526 -0.680 1
1 624 . 12 1 1 A 82 82 ARG HA H 82 4.231 4.292 -0.061 1
1 631 . 12 1 1 A 82 82 ARG N N 82 119.695 123.796 -4.101 1
1 632 . 12 1 1 A 83 83 ASP H H 83 8.502 9.038 -0.536 1
1 633 . 12 1 1 A 83 83 ASP HA H 83 4.346 4.264 0.082 1
1 636 . 12 1 1 A 83 83 ASP N N 83 123.697 126.946 -3.249 1
1 637 . 12 1 1 A 84 84 ASN H H 84 8.883 8.151 0.732 1
1 638 . 12 1 1 A 84 84 ASN HA H 84 4.822 4.593 0.229 1
1 643 . 12 1 1 A 84 84 ASN N N 84 112.236 116.568 -4.332 1
1 645 . 12 1 1 A 85 85 VAL H H 85 7.800 7.592 0.208 1
1 646 . 12 1 1 A 85 85 VAL HA H 85 4.048 4.131 -0.083 1
1 654 . 12 1 1 A 85 85 VAL N N 85 122.112 118.962 3.150 1
1 655 . 12 1 1 A 86 86 ARG H H 86 9.285 9.022 0.263 1
1 656 . 12 1 1 A 86 86 ARG HA H 86 4.432 4.402 0.030 1
1 657 . 12 1 1 A 86 86 ARG N N 86 126.445 129.296 -2.851 1
1 658 . 12 1 1 A 87 87 ARG H H 87 7.671 7.677 -0.006 1
1 659 . 12 1 1 A 87 87 ARG HA H 87 4.556 4.867 -0.311 1
1 666 . 12 1 1 A 87 87 ARG N N 87 116.855 117.057 -0.202 1
1 667 . 12 1 1 A 88 88 VAL H H 88 8.904 8.417 0.487 1
1 668 . 12 1 1 A 88 88 VAL HA H 88 4.834 4.928 -0.094 1
1 676 . 12 1 1 A 88 88 VAL N N 88 123.751 121.094 2.657 1
1 677 . 12 1 1 A 89 89 MET H H 89 9.119 9.061 0.058 1
1 678 . 12 1 1 A 89 89 MET HA H 89 4.869 5.211 -0.342 1
1 683 . 12 1 1 A 89 89 MET N N 89 127.251 125.626 1.625 1
1 684 . 12 1 1 A 90 90 VAL H H 90 9.007 9.136 -0.129 1
1 685 . 12 1 1 A 90 90 VAL HA H 90 4.962 4.635 0.327 1
1 693 . 12 1 1 A 90 90 VAL N N 90 127.769 125.267 2.502 1
1 694 . 12 1 1 A 91 91 VAL H H 91 9.195 8.983 0.212 1
1 695 . 12 1 1 A 91 91 VAL HA H 91 4.660 4.950 -0.290 1
1 703 . 12 1 1 A 91 91 VAL N N 91 126.267 121.389 4.878 1
1 704 . 12 1 1 A 92 92 LYS H H 92 8.914 8.440 0.474 1
1 705 . 12 1 1 A 92 92 LYS HA H 92 4.124 4.327 -0.203 1
1 712 . 12 1 1 A 92 92 LYS N N 92 126.996 124.215 2.781 1
1 713 . 12 1 1 A 93 93 SER H H 93 8.046 8.120 -0.074 1
1 714 . 12 1 1 A 93 93 SER HA H 93 4.396 4.628 -0.232 1
1 717 . 12 1 1 A 93 93 SER N N 93 120.732 117.977 2.755 1
1 718 . 12 1 1 A 94 94 GLN H H 94 8.806 8.561 0.245 1
1 719 . 12 1 1 A 94 94 GLN HA H 94 4.316 4.872 -0.556 1
1 726 . 12 1 1 A 94 94 GLN N N 94 124.100 118.765 5.335 1
1 728 . 12 1 1 A 95 95 GLU H H 95 8.481 8.387 0.094 1
1 729 . 12 1 1 A 95 95 GLU HA H 95 4.579 4.728 -0.149 1
1 734 . 12 1 1 A 95 95 GLU N N 95 124.145 121.200 2.945 1
1 735 . 12 1 1 A 96 96 PRO HA H 96 4.408 4.219 0.189 1
1 742 . 12 1 1 A 97 97 PHE H H 97 8.234 8.236 -0.002 1
1 743 . 12 1 1 A 97 97 PHE HA H 97 4.647 5.063 -0.416 1
1 748 . 12 1 1 A 97 97 PHE N N 97 120.145 119.411 0.734 1
1 749 . 12 1 1 A 98 98 LEU H H 98 8.115 8.827 -0.712 1
1 750 . 12 1 1 A 98 98 LEU HA H 98 4.368 4.766 -0.398 1
1 759 . 12 1 1 A 98 98 LEU N N 98 125.838 125.102 0.736 1
1 760 . 12 1 1 A 99 99 ALA H H 99 7.765 8.798 -1.033 1
1 761 . 12 1 1 A 99 99 ALA HA H 99 4.074 4.726 -0.652 1
1 2 . 13 1 1 A 2 2 ARG H H 2 8.836 7.967 0.869 1
1 3 . 13 1 1 A 2 2 ARG HA H 2 4.715 4.838 -0.123 1
1 5 . 13 1 1 A 2 2 ARG N N 2 122.718 118.067 4.651 1
1 6 . 13 1 1 A 3 3 ARG H H 3 8.145 8.110 0.035 1
1 7 . 13 1 1 A 3 3 ARG HA H 3 5.354 5.512 -0.158 1
1 11 . 13 1 1 A 3 3 ARG N N 3 121.051 120.793 0.258 1
1 12 . 13 1 1 A 4 4 TYR H H 4 9.186 9.088 0.098 1
1 13 . 13 1 1 A 4 4 TYR HA H 4 5.061 5.126 -0.065 1
1 20 . 13 1 1 A 4 4 TYR N N 4 122.362 120.354 2.008 1
1 21 . 13 1 1 A 5 5 GLU H H 5 9.357 8.405 0.952 1
1 22 . 13 1 1 A 5 5 GLU HA H 5 5.006 4.694 0.312 1
1 27 . 13 1 1 A 5 5 GLU N N 5 119.338 120.599 -1.261 1
1 28 . 13 1 1 A 6 6 VAL H H 6 9.387 8.735 0.652 1
1 29 . 13 1 1 A 6 6 VAL HA H 6 4.481 4.679 -0.198 1
1 37 . 13 1 1 A 6 6 VAL N N 6 124.463 124.247 0.216 1
1 38 . 13 1 1 A 7 7 ASN H H 7 9.059 9.439 -0.380 1
1 39 . 13 1 1 A 7 7 ASN HA H 7 5.550 5.435 0.115 1
1 44 . 13 1 1 A 7 7 ASN N N 7 125.802 126.704 -0.902 1
1 46 . 13 1 1 A 8 8 ILE H H 8 9.108 8.901 0.207 1
1 47 . 13 1 1 A 8 8 ILE HA H 8 4.851 4.851 0.000 1
1 57 . 13 1 1 A 8 8 ILE N N 8 125.010 124.351 0.659 1
1 58 . 13 1 1 A 9 9 VAL H H 9 8.669 9.102 -0.433 1
1 59 . 13 1 1 A 9 9 VAL HA H 9 4.518 4.416 0.102 1
1 67 . 13 1 1 A 9 9 VAL N N 9 125.755 128.519 -2.764 1
1 68 . 13 1 1 A 10 10 LEU H H 10 9.855 9.059 0.796 1
1 69 . 13 1 1 A 10 10 LEU HA H 10 5.341 5.122 0.219 1
1 79 . 13 1 1 A 10 10 LEU N N 10 127.024 129.882 -2.858 1
1 80 . 13 1 1 A 11 11 ASN H H 11 8.316 8.896 -0.580 1
1 85 . 13 1 1 A 11 11 ASN N N 11 118.911 120.777 -1.866 1
1 87 . 13 1 1 A 12 12 PRO HA H 12 4.471 4.599 -0.128 1
1 90 . 13 1 1 A 13 13 ASN H H 13 8.316 8.292 0.024 1
1 91 . 13 1 1 A 13 13 ASN HA H 13 4.813 4.501 0.312 1
1 96 . 13 1 1 A 13 13 ASN N N 13 118.703 119.789 -1.086 1
1 98 . 13 1 1 A 14 14 LEU H H 14 7.181 7.651 -0.470 1
1 99 . 13 1 1 A 14 14 LEU HA H 14 4.382 4.745 -0.363 1
1 109 . 13 1 1 A 14 14 LEU N N 14 118.890 119.909 -1.019 1
1 110 . 13 1 1 A 15 15 ASP H H 15 8.671 8.488 0.183 1
1 111 . 13 1 1 A 15 15 ASP HA H 15 4.704 4.890 -0.186 1
1 114 . 13 1 1 A 15 15 ASP N N 15 122.145 120.220 1.925 1
1 115 . 13 1 1 A 16 16 GLN H H 16 8.549 8.539 0.010 1
1 116 . 13 1 1 A 16 16 GLN HA H 16 3.939 3.913 0.026 1
1 123 . 13 1 1 A 16 16 GLN N N 16 116.429 117.956 -1.527 1
1 125 . 13 1 1 A 17 17 SER H H 17 8.352 8.466 -0.114 1
1 126 . 13 1 1 A 17 17 SER HA H 17 4.316 4.137 0.179 1
1 129 . 13 1 1 A 17 17 SER N N 17 117.102 116.678 0.424 1
1 130 . 13 1 1 A 18 18 GLN H H 18 8.683 7.865 0.818 1
1 131 . 13 1 1 A 18 18 GLN HA H 18 4.065 4.069 -0.004 1
1 138 . 13 1 1 A 18 18 GLN N N 18 124.500 121.224 3.276 1
1 140 . 13 1 1 A 19 19 LEU H H 19 8.792 8.274 0.518 1
1 141 . 13 1 1 A 19 19 LEU HA H 19 3.793 4.076 -0.283 1
1 148 . 13 1 1 A 19 19 LEU N N 19 121.821 121.702 0.119 1
1 149 . 13 1 1 A 20 20 ALA H H 20 7.823 8.451 -0.628 1
1 150 . 13 1 1 A 20 20 ALA HA H 20 4.014 3.996 0.018 1
1 154 . 13 1 1 A 20 20 ALA N N 20 120.183 120.806 -0.623 1
1 155 . 13 1 1 A 21 21 LEU H H 21 7.569 7.683 -0.114 1
1 156 . 13 1 1 A 21 21 LEU HA H 21 4.255 3.941 0.314 1
1 166 . 13 1 1 A 21 21 LEU N N 21 119.682 117.366 2.316 1
1 167 . 13 1 1 A 22 22 GLU H H 22 8.076 8.332 -0.256 1
1 168 . 13 1 1 A 22 22 GLU HA H 22 4.146 4.069 0.077 1
1 173 . 13 1 1 A 22 22 GLU N N 22 117.135 121.912 -4.777 1
1 174 . 13 1 1 A 23 23 LYS H H 23 8.400 7.783 0.617 1
1 175 . 13 1 1 A 23 23 LYS HA H 23 3.940 4.093 -0.153 1
1 182 . 13 1 1 A 23 23 LYS N N 23 117.328 119.752 -2.424 1
1 183 . 13 1 1 A 24 24 GLU H H 24 8.002 7.674 0.328 1
1 184 . 13 1 1 A 24 24 GLU HA H 24 4.134 4.100 0.034 1
1 189 . 13 1 1 A 24 24 GLU N N 24 121.932 119.564 2.368 1
1 190 . 13 1 1 A 25 25 ILE H H 25 8.124 7.587 0.537 1
1 191 . 13 1 1 A 25 25 ILE HA H 25 3.628 3.703 -0.075 1
1 201 . 13 1 1 A 25 25 ILE N N 25 121.791 119.734 2.057 1
1 202 . 13 1 1 A 26 26 ILE H H 26 8.311 8.437 -0.126 1
1 203 . 13 1 1 A 26 26 ILE HA H 26 3.421 3.844 -0.423 1
1 211 . 13 1 1 A 26 26 ILE N N 26 122.094 120.837 1.257 1
1 212 . 13 1 1 A 27 27 GLN H H 27 8.169 7.981 0.188 1
1 213 . 13 1 1 A 27 27 GLN HA H 27 3.769 3.954 -0.185 1
1 220 . 13 1 1 A 27 27 GLN N N 27 118.606 122.528 -3.922 1
1 222 . 13 1 1 A 28 28 ARG H H 28 8.146 7.616 0.530 1
1 223 . 13 1 1 A 28 28 ARG HA H 28 4.125 4.024 0.101 1
1 230 . 13 1 1 A 28 28 ARG N N 28 118.685 119.220 -0.535 1
1 231 . 13 1 1 A 29 29 ALA H H 29 8.176 7.959 0.217 1
1 232 . 13 1 1 A 29 29 ALA HA H 29 4.318 4.156 0.162 1
1 236 . 13 1 1 A 29 29 ALA N N 29 123.579 122.168 1.411 1
1 237 . 13 1 1 A 30 30 LEU H H 30 8.415 8.252 0.163 1
1 238 . 13 1 1 A 30 30 LEU HA H 30 3.774 4.114 -0.340 1
1 248 . 13 1 1 A 30 30 LEU N N 30 116.873 119.079 -2.206 1
1 249 . 13 1 1 A 31 31 GLU H H 31 7.865 7.986 -0.121 1
1 250 . 13 1 1 A 31 31 GLU HA H 31 4.172 3.950 0.222 1
1 255 . 13 1 1 A 31 31 GLU N N 31 117.422 119.083 -1.661 1
1 256 . 13 1 1 A 32 32 ASN H H 32 8.715 7.671 1.044 1
1 257 . 13 1 1 A 32 32 ASN HA H 32 4.434 4.494 -0.060 1
1 262 . 13 1 1 A 32 32 ASN N N 32 120.768 118.144 2.624 1
1 264 . 13 1 1 A 33 33 TYR H H 33 7.882 8.657 -0.775 1
1 265 . 13 1 1 A 33 33 TYR HA H 33 4.321 4.516 -0.195 1
1 272 . 13 1 1 A 33 33 TYR N N 33 117.207 120.268 -3.061 1
1 273 . 13 1 1 A 34 34 GLY H H 34 7.668 7.820 -0.152 1
1 274 . 13 1 1 A 34 34 GLY HA2 H 34 3.796 3.710 0.086 1
1 275 . 13 1 1 A 34 34 GLY HA3 H 34 4.037 3.748 0.289 1
1 276 . 13 1 1 A 34 34 GLY N N 34 104.268 109.278 -5.010 1
1 277 . 13 1 1 A 35 35 ALA H H 35 8.373 7.725 0.648 1
1 278 . 13 1 1 A 35 35 ALA HA H 35 4.955 4.354 0.601 1
1 282 . 13 1 1 A 35 35 ALA N N 35 120.534 121.736 -1.202 1
1 283 . 13 1 1 A 36 36 ARG H H 36 9.073 8.801 0.272 1
1 284 . 13 1 1 A 36 36 ARG HA H 36 4.582 4.971 -0.389 1
1 289 . 13 1 1 A 36 36 ARG N N 36 123.245 122.646 0.599 1
1 290 . 13 1 1 A 37 37 VAL H H 37 9.105 8.772 0.333 1
1 291 . 13 1 1 A 37 37 VAL HA H 37 4.011 5.072 -1.061 1
1 299 . 13 1 1 A 37 37 VAL N N 37 126.869 121.543 5.326 1
1 300 . 13 1 1 A 38 38 GLU H H 38 9.217 9.969 -0.752 1
1 301 . 13 1 1 A 38 38 GLU HA H 38 4.395 4.603 -0.208 1
1 306 . 13 1 1 A 38 38 GLU N N 38 129.074 127.122 1.952 1
1 307 . 13 1 1 A 39 39 LYS H H 39 7.822 7.753 0.069 1
1 308 . 13 1 1 A 39 39 LYS HA H 39 4.672 5.049 -0.377 1
1 315 . 13 1 1 A 39 39 LYS N N 39 116.882 117.446 -0.564 1
1 316 . 13 1 1 A 40 40 VAL H H 40 8.412 8.891 -0.479 1
1 317 . 13 1 1 A 40 40 VAL HA H 40 4.892 4.515 0.377 1
1 325 . 13 1 1 A 40 40 VAL N N 40 121.731 121.271 0.460 1
1 326 . 13 1 1 A 41 41 GLU H H 41 9.523 8.732 0.791 1
1 327 . 13 1 1 A 41 41 GLU HA H 41 4.688 4.800 -0.112 1
1 332 . 13 1 1 A 41 41 GLU N N 41 126.064 128.357 -2.293 1
1 333 . 13 1 1 A 42 42 GLU H H 42 9.049 8.854 0.195 1
1 334 . 13 1 1 A 42 42 GLU HA H 42 4.658 4.390 0.268 1
1 339 . 13 1 1 A 42 42 GLU N N 42 126.962 123.831 3.131 1
1 340 . 13 1 1 A 43 43 LEU H H 43 7.887 9.163 -1.276 1
1 341 . 13 1 1 A 43 43 LEU HA H 43 4.252 4.250 0.002 1
1 351 . 13 1 1 A 43 43 LEU N N 43 126.929 125.912 1.017 1
1 352 . 13 1 1 A 44 44 GLY H H 44 7.839 7.837 0.002 1
1 353 . 13 1 1 A 44 44 GLY HA2 H 44 2.380 4.091 -1.711 1
1 354 . 13 1 1 A 44 44 GLY HA3 H 44 3.940 4.104 -0.164 1
1 355 . 13 1 1 A 44 44 GLY N N 44 105.145 104.891 0.254 1
1 356 . 13 1 1 A 45 45 LEU H H 45 8.579 7.825 0.754 1
1 357 . 13 1 1 A 45 45 LEU HA H 45 4.906 4.248 0.658 1
1 367 . 13 1 1 A 45 45 LEU N N 45 122.487 120.397 2.090 1
1 368 . 13 1 1 A 46 46 ARG H H 46 8.899 8.768 0.131 1
1 369 . 13 1 1 A 46 46 ARG HA H 46 4.584 4.632 -0.048 1
1 374 . 13 1 1 A 46 46 ARG N N 46 123.175 123.858 -0.683 1
1 375 . 13 1 1 A 47 47 ARG H H 47 8.330 7.670 0.660 1
1 376 . 13 1 1 A 47 47 ARG HA H 47 4.429 4.435 -0.006 1
1 381 . 13 1 1 A 47 47 ARG N N 47 120.447 119.555 0.892 1
1 382 . 13 1 1 A 48 48 LEU H H 48 8.348 8.392 -0.044 1
1 383 . 13 1 1 A 48 48 LEU HA H 48 4.458 4.234 0.224 1
1 393 . 13 1 1 A 48 48 LEU N N 48 124.979 120.722 4.257 1
1 394 . 13 1 1 A 49 49 ALA H H 49 7.975 8.969 -0.994 1
1 395 . 13 1 1 A 49 49 ALA HA H 49 4.176 4.737 -0.561 1
1 399 . 13 1 1 A 49 49 ALA N N 49 130.824 124.597 6.227 1
1 400 . 13 1 1 A 50 50 TYR H H 50 8.587 9.190 -0.603 1
1 401 . 13 1 1 A 50 50 TYR HA H 50 4.656 4.310 0.346 1
1 404 . 13 1 1 A 50 50 TYR N N 50 122.514 119.627 2.887 1
1 405 . 13 1 1 A 51 51 PRO HA H 51 4.554 4.561 -0.007 1
1 406 . 13 1 1 A 52 52 ILE H H 52 8.262 8.396 -0.134 1
1 407 . 13 1 1 A 52 52 ILE HA H 52 4.182 4.000 0.182 1
1 414 . 13 1 1 A 52 52 ILE N N 52 121.932 123.114 -1.182 1
1 415 . 13 1 1 A 53 53 ALA H H 53 8.420 8.668 -0.248 1
1 416 . 13 1 1 A 53 53 ALA HA H 53 4.359 4.628 -0.269 1
1 420 . 13 1 1 A 53 53 ALA N N 53 128.607 131.233 -2.626 1
1 421 . 13 1 1 A 54 54 LYS H H 54 8.338 8.472 -0.134 1
1 422 . 13 1 1 A 54 54 LYS HA H 54 4.320 4.252 0.068 1
1 427 . 13 1 1 A 54 54 LYS N N 54 120.865 120.411 0.454 1
1 428 . 13 1 1 A 55 55 ASP H H 55 8.242 7.658 0.584 1
1 431 . 13 1 1 A 55 55 ASP N N 55 121.940 120.823 1.117 1
1 432 . 13 1 1 A 56 56 PRO HA H 56 4.541 4.659 -0.118 1
1 433 . 13 1 1 A 57 57 GLN H H 57 8.346 8.343 0.003 1
1 434 . 13 1 1 A 57 57 GLN HA H 57 5.113 4.955 0.158 1
1 441 . 13 1 1 A 57 57 GLN N N 57 119.306 117.780 1.526 1
1 443 . 13 1 1 A 58 58 GLY H H 58 8.724 8.758 -0.034 1
1 444 . 13 1 1 A 58 58 GLY HA2 H 58 3.594 4.241 -0.647 1
1 445 . 13 1 1 A 58 58 GLY HA3 H 58 4.313 4.274 0.039 1
1 446 . 13 1 1 A 58 58 GLY N N 58 103.688 107.341 -3.653 1
1 447 . 13 1 1 A 59 59 TYR H H 59 8.941 8.765 0.176 1
1 448 . 13 1 1 A 59 59 TYR HA H 59 4.741 5.369 -0.628 1
1 453 . 13 1 1 A 59 59 TYR N N 59 123.537 125.025 -1.488 1
1 454 . 13 1 1 A 60 60 PHE H H 60 9.215 9.285 -0.070 1
1 455 . 13 1 1 A 60 60 PHE HA H 60 5.054 4.912 0.142 1
1 460 . 13 1 1 A 60 60 PHE N N 60 130.526 126.578 3.948 1
1 461 . 13 1 1 A 61 61 LEU H H 61 9.388 9.014 0.374 1
1 462 . 13 1 1 A 61 61 LEU HA H 61 5.047 5.201 -0.154 1
1 472 . 13 1 1 A 61 61 LEU N N 61 123.595 119.325 4.270 1
1 473 . 13 1 1 A 62 62 TRP H H 62 8.752 8.897 -0.145 1
1 474 . 13 1 1 A 62 62 TRP HA H 62 5.554 5.580 -0.026 1
1 481 . 13 1 1 A 62 62 TRP N N 62 125.081 125.393 -0.312 1
1 483 . 13 1 1 A 63 63 TYR H H 63 8.592 8.773 -0.181 1
1 484 . 13 1 1 A 63 63 TYR HA H 63 4.972 5.297 -0.325 1
1 491 . 13 1 1 A 63 63 TYR N N 63 123.346 126.662 -3.316 1
1 492 . 13 1 1 A 64 64 GLN H H 64 8.604 8.455 0.149 1
1 493 . 13 1 1 A 64 64 GLN HA H 64 4.866 4.550 0.316 1
1 500 . 13 1 1 A 64 64 GLN N N 64 123.079 121.416 1.663 1
1 502 . 13 1 1 A 65 65 VAL H H 65 9.204 8.965 0.239 1
1 503 . 13 1 1 A 65 65 VAL HA H 65 5.672 5.594 0.078 1
1 511 . 13 1 1 A 65 65 VAL N N 65 119.156 118.147 1.009 1
1 512 . 13 1 1 A 66 66 GLU H H 66 8.635 8.706 -0.071 1
1 513 . 13 1 1 A 66 66 GLU HA H 66 5.333 5.047 0.286 1
1 518 . 13 1 1 A 66 66 GLU N N 66 121.502 121.971 -0.469 1
1 519 . 13 1 1 A 67 67 MET H H 67 9.480 7.811 1.669 1
1 520 . 13 1 1 A 67 67 MET N N 67 122.258 123.844 -1.586 1
1 521 . 13 1 1 A 68 68 PRO HA H 68 4.562 4.626 -0.064 1
1 522 . 13 1 1 A 69 69 GLU H H 69 10.059 8.601 1.458 1
1 523 . 13 1 1 A 69 69 GLU HA H 69 4.442 3.550 0.892 1
1 528 . 13 1 1 A 69 69 GLU N N 69 126.845 121.822 5.023 1
1 529 . 13 1 1 A 70 70 ASP H H 70 8.763 8.216 0.547 1
1 530 . 13 1 1 A 70 70 ASP HA H 70 4.568 4.343 0.225 1
1 533 . 13 1 1 A 70 70 ASP N N 70 115.710 121.742 -6.032 1
1 534 . 13 1 1 A 71 71 ARG H H 71 7.679 7.994 -0.315 1
1 535 . 13 1 1 A 71 71 ARG HA H 71 4.853 4.080 0.773 1
1 536 . 13 1 1 A 71 71 ARG N N 71 116.513 120.242 -3.729 1
1 537 . 13 1 1 A 72 72 VAL H H 72 6.949 7.731 -0.782 1
1 538 . 13 1 1 A 72 72 VAL HA H 72 3.287 3.786 -0.499 1
1 546 . 13 1 1 A 72 72 VAL N N 72 119.962 118.378 1.584 1
1 547 . 13 1 1 A 73 73 ASN H H 73 8.292 8.345 -0.053 1
1 548 . 13 1 1 A 73 73 ASN HA H 73 4.378 4.414 -0.036 1
1 553 . 13 1 1 A 73 73 ASN N N 73 117.910 119.640 -1.730 1
1 555 . 13 1 1 A 74 74 ASP H H 74 7.985 8.089 -0.104 1
1 556 . 13 1 1 A 74 74 ASP HA H 74 4.325 4.357 -0.032 1
1 559 . 13 1 1 A 74 74 ASP N N 74 121.962 119.730 2.232 1
1 560 . 13 1 1 A 75 75 LEU H H 75 7.519 7.956 -0.437 1
1 561 . 13 1 1 A 75 75 LEU HA H 75 3.060 3.956 -0.896 1
1 570 . 13 1 1 A 75 75 LEU N N 75 122.206 120.745 1.461 1
1 571 . 13 1 1 A 76 76 ALA H H 76 7.936 8.518 -0.582 1
1 572 . 13 1 1 A 76 76 ALA HA H 76 3.582 3.918 -0.336 1
1 576 . 13 1 1 A 76 76 ALA N N 76 119.529 120.985 -1.456 1
1 577 . 13 1 1 A 77 77 ARG H H 77 7.619 7.663 -0.044 1
1 578 . 13 1 1 A 77 77 ARG HA H 77 3.852 4.011 -0.159 1
1 585 . 13 1 1 A 77 77 ARG N N 77 115.626 118.307 -2.681 1
1 586 . 13 1 1 A 78 78 GLU H H 78 7.739 7.612 0.127 1
1 587 . 13 1 1 A 78 78 GLU HA H 78 4.000 4.060 -0.060 1
1 592 . 13 1 1 A 78 78 GLU N N 78 119.427 118.907 0.520 1
1 593 . 13 1 1 A 79 79 LEU H H 79 8.183 8.081 0.102 1
1 594 . 13 1 1 A 79 79 LEU HA H 79 4.033 3.891 0.142 1
1 603 . 13 1 1 A 79 79 LEU N N 79 117.433 120.351 -2.918 1
1 604 . 13 1 1 A 80 80 ARG H H 80 7.546 7.810 -0.264 1
1 605 . 13 1 1 A 80 80 ARG HA H 80 3.960 4.026 -0.066 1
1 610 . 13 1 1 A 80 80 ARG N N 80 113.295 119.453 -6.158 1
1 611 . 13 1 1 A 81 81 ILE H H 81 7.280 7.504 -0.224 1
1 612 . 13 1 1 A 81 81 ILE HA H 81 3.987 4.086 -0.099 1
1 622 . 13 1 1 A 81 81 ILE N N 81 115.559 118.683 -3.124 1
1 623 . 13 1 1 A 82 82 ARG H H 82 6.846 7.338 -0.492 1
1 624 . 13 1 1 A 82 82 ARG HA H 82 4.231 4.274 -0.043 1
1 631 . 13 1 1 A 82 82 ARG N N 82 119.695 123.643 -3.948 1
1 632 . 13 1 1 A 83 83 ASP H H 83 8.502 9.026 -0.524 1
1 633 . 13 1 1 A 83 83 ASP HA H 83 4.346 4.256 0.090 1
1 636 . 13 1 1 A 83 83 ASP N N 83 123.697 127.230 -3.533 1
1 637 . 13 1 1 A 84 84 ASN H H 84 8.883 8.113 0.770 1
1 638 . 13 1 1 A 84 84 ASN HA H 84 4.822 4.640 0.182 1
1 643 . 13 1 1 A 84 84 ASN N N 84 112.236 116.371 -4.135 1
1 645 . 13 1 1 A 85 85 VAL H H 85 7.800 7.560 0.240 1
1 646 . 13 1 1 A 85 85 VAL HA H 85 4.048 4.034 0.014 1
1 654 . 13 1 1 A 85 85 VAL N N 85 122.112 119.084 3.028 1
1 655 . 13 1 1 A 86 86 ARG H H 86 9.285 8.985 0.300 1
1 656 . 13 1 1 A 86 86 ARG HA H 86 4.432 4.442 -0.010 1
1 657 . 13 1 1 A 86 86 ARG N N 86 126.445 129.204 -2.759 1
1 658 . 13 1 1 A 87 87 ARG H H 87 7.671 7.610 0.061 1
1 659 . 13 1 1 A 87 87 ARG HA H 87 4.556 4.699 -0.143 1
1 666 . 13 1 1 A 87 87 ARG N N 87 116.855 118.400 -1.545 1
1 667 . 13 1 1 A 88 88 VAL H H 88 8.904 8.538 0.366 1
1 668 . 13 1 1 A 88 88 VAL HA H 88 4.834 4.831 0.003 1
1 676 . 13 1 1 A 88 88 VAL N N 88 123.751 123.764 -0.013 1
1 677 . 13 1 1 A 89 89 MET H H 89 9.119 9.424 -0.305 1
1 678 . 13 1 1 A 89 89 MET HA H 89 4.869 5.351 -0.482 1
1 683 . 13 1 1 A 89 89 MET N N 89 127.251 126.004 1.247 1
1 684 . 13 1 1 A 90 90 VAL H H 90 9.007 8.955 0.052 1
1 685 . 13 1 1 A 90 90 VAL HA H 90 4.962 5.001 -0.039 1
1 693 . 13 1 1 A 90 90 VAL N N 90 127.769 123.980 3.789 1
1 694 . 13 1 1 A 91 91 VAL H H 91 9.195 8.978 0.217 1
1 695 . 13 1 1 A 91 91 VAL HA H 91 4.660 5.014 -0.354 1
1 703 . 13 1 1 A 91 91 VAL N N 91 126.267 121.095 5.172 1
1 704 . 13 1 1 A 92 92 LYS H H 92 8.914 8.497 0.417 1
1 705 . 13 1 1 A 92 92 LYS HA H 92 4.124 4.244 -0.120 1
1 712 . 13 1 1 A 92 92 LYS N N 92 126.996 123.889 3.107 1
1 713 . 13 1 1 A 93 93 SER H H 93 8.046 7.944 0.102 1
1 714 . 13 1 1 A 93 93 SER HA H 93 4.396 4.833 -0.437 1
1 717 . 13 1 1 A 93 93 SER N N 93 120.732 115.964 4.768 1
1 718 . 13 1 1 A 94 94 GLN H H 94 8.806 8.337 0.469 1
1 719 . 13 1 1 A 94 94 GLN HA H 94 4.316 4.203 0.113 1
1 726 . 13 1 1 A 94 94 GLN N N 94 124.100 121.257 2.843 1
1 728 . 13 1 1 A 95 95 GLU H H 95 8.481 8.529 -0.048 1
1 729 . 13 1 1 A 95 95 GLU HA H 95 4.579 4.802 -0.223 1
1 734 . 13 1 1 A 95 95 GLU N N 95 124.145 120.634 3.511 1
1 735 . 13 1 1 A 96 96 PRO HA H 96 4.408 4.730 -0.322 1
1 742 . 13 1 1 A 97 97 PHE H H 97 8.234 8.737 -0.503 1
1 743 . 13 1 1 A 97 97 PHE HA H 97 4.647 4.670 -0.023 1
1 748 . 13 1 1 A 97 97 PHE N N 97 120.145 122.151 -2.006 1
1 749 . 13 1 1 A 98 98 LEU H H 98 8.115 8.023 0.092 1
1 750 . 13 1 1 A 98 98 LEU HA H 98 4.368 3.921 0.447 1
1 759 . 13 1 1 A 98 98 LEU N N 98 125.838 123.314 2.524 1
1 760 . 13 1 1 A 99 99 ALA H H 99 7.765 7.735 0.030 1
1 761 . 13 1 1 A 99 99 ALA HA H 99 4.074 4.781 -0.707 1
1 2 . 14 1 1 A 2 2 ARG H H 2 8.836 8.420 0.416 1
1 3 . 14 1 1 A 2 2 ARG HA H 2 4.715 4.991 -0.276 1
1 5 . 14 1 1 A 2 2 ARG N N 2 122.718 124.226 -1.508 1
1 6 . 14 1 1 A 3 3 ARG H H 3 8.145 8.320 -0.175 1
1 7 . 14 1 1 A 3 3 ARG HA H 3 5.354 5.463 -0.109 1
1 11 . 14 1 1 A 3 3 ARG N N 3 121.051 121.199 -0.148 1
1 12 . 14 1 1 A 4 4 TYR H H 4 9.186 9.027 0.159 1
1 13 . 14 1 1 A 4 4 TYR HA H 4 5.061 5.016 0.045 1
1 20 . 14 1 1 A 4 4 TYR N N 4 122.362 124.379 -2.017 1
1 21 . 14 1 1 A 5 5 GLU H H 5 9.357 8.698 0.659 1
1 22 . 14 1 1 A 5 5 GLU HA H 5 5.006 4.689 0.317 1
1 27 . 14 1 1 A 5 5 GLU N N 5 119.338 119.435 -0.097 1
1 28 . 14 1 1 A 6 6 VAL H H 6 9.387 8.574 0.813 1
1 29 . 14 1 1 A 6 6 VAL HA H 6 4.481 4.626 -0.145 1
1 37 . 14 1 1 A 6 6 VAL N N 6 124.463 119.047 5.416 1
1 38 . 14 1 1 A 7 7 ASN H H 7 9.059 9.060 -0.001 1
1 39 . 14 1 1 A 7 7 ASN HA H 7 5.550 4.898 0.652 1
1 44 . 14 1 1 A 7 7 ASN N N 7 125.802 125.192 0.610 1
1 46 . 14 1 1 A 8 8 ILE H H 8 9.108 8.776 0.332 1
1 47 . 14 1 1 A 8 8 ILE HA H 8 4.851 4.731 0.120 1
1 57 . 14 1 1 A 8 8 ILE N N 8 125.010 124.771 0.239 1
1 58 . 14 1 1 A 9 9 VAL H H 9 8.669 9.072 -0.403 1
1 59 . 14 1 1 A 9 9 VAL HA H 9 4.518 5.050 -0.532 1
1 67 . 14 1 1 A 9 9 VAL N N 9 125.755 128.269 -2.514 1
1 68 . 14 1 1 A 10 10 LEU H H 10 9.855 9.078 0.777 1
1 69 . 14 1 1 A 10 10 LEU HA H 10 5.341 5.061 0.280 1
1 79 . 14 1 1 A 10 10 LEU N N 10 127.024 129.822 -2.798 1
1 80 . 14 1 1 A 11 11 ASN H H 11 8.316 8.699 -0.383 1
1 85 . 14 1 1 A 11 11 ASN N N 11 118.911 120.389 -1.478 1
1 87 . 14 1 1 A 12 12 PRO HA H 12 4.471 4.618 -0.147 1
1 90 . 14 1 1 A 13 13 ASN H H 13 8.316 8.231 0.085 1
1 91 . 14 1 1 A 13 13 ASN HA H 13 4.813 4.778 0.035 1
1 96 . 14 1 1 A 13 13 ASN N N 13 118.703 119.395 -0.692 1
1 98 . 14 1 1 A 14 14 LEU H H 14 7.181 7.290 -0.109 1
1 99 . 14 1 1 A 14 14 LEU HA H 14 4.382 4.218 0.164 1
1 109 . 14 1 1 A 14 14 LEU N N 14 118.890 121.482 -2.592 1
1 110 . 14 1 1 A 15 15 ASP H H 15 8.671 8.612 0.059 1
1 111 . 14 1 1 A 15 15 ASP HA H 15 4.704 4.846 -0.142 1
1 114 . 14 1 1 A 15 15 ASP N N 15 122.145 121.096 1.049 1
1 115 . 14 1 1 A 16 16 GLN H H 16 8.549 8.578 -0.029 1
1 116 . 14 1 1 A 16 16 GLN HA H 16 3.939 3.942 -0.003 1
1 123 . 14 1 1 A 16 16 GLN N N 16 116.429 117.836 -1.407 1
1 125 . 14 1 1 A 17 17 SER H H 17 8.352 8.148 0.204 1
1 126 . 14 1 1 A 17 17 SER HA H 17 4.316 4.140 0.176 1
1 129 . 14 1 1 A 17 17 SER N N 17 117.102 116.618 0.484 1
1 130 . 14 1 1 A 18 18 GLN H H 18 8.683 8.662 0.021 1
1 131 . 14 1 1 A 18 18 GLN HA H 18 4.065 4.078 -0.013 1
1 138 . 14 1 1 A 18 18 GLN N N 18 124.500 121.308 3.192 1
1 140 . 14 1 1 A 19 19 LEU H H 19 8.792 8.087 0.705 1
1 141 . 14 1 1 A 19 19 LEU HA H 19 3.793 4.003 -0.210 1
1 148 . 14 1 1 A 19 19 LEU N N 19 121.821 121.782 0.039 1
1 149 . 14 1 1 A 20 20 ALA H H 20 7.823 8.141 -0.318 1
1 150 . 14 1 1 A 20 20 ALA HA H 20 4.014 4.012 0.002 1
1 154 . 14 1 1 A 20 20 ALA N N 20 120.183 120.571 -0.388 1
1 155 . 14 1 1 A 21 21 LEU H H 21 7.569 7.350 0.219 1
1 156 . 14 1 1 A 21 21 LEU HA H 21 4.255 3.904 0.351 1
1 166 . 14 1 1 A 21 21 LEU N N 21 119.682 117.056 2.626 1
1 167 . 14 1 1 A 22 22 GLU H H 22 8.076 7.898 0.178 1
1 168 . 14 1 1 A 22 22 GLU HA H 22 4.146 3.957 0.189 1
1 173 . 14 1 1 A 22 22 GLU N N 22 117.135 119.826 -2.691 1
1 174 . 14 1 1 A 23 23 LYS H H 23 8.400 7.292 1.108 1
1 175 . 14 1 1 A 23 23 LYS HA H 23 3.940 3.963 -0.023 1
1 182 . 14 1 1 A 23 23 LYS N N 23 117.328 119.457 -2.129 1
1 183 . 14 1 1 A 24 24 GLU H H 24 8.002 7.628 0.374 1
1 184 . 14 1 1 A 24 24 GLU HA H 24 4.134 4.183 -0.049 1
1 189 . 14 1 1 A 24 24 GLU N N 24 121.932 118.922 3.010 1
1 190 . 14 1 1 A 25 25 ILE H H 25 8.124 7.664 0.460 1
1 191 . 14 1 1 A 25 25 ILE HA H 25 3.628 3.668 -0.040 1
1 201 . 14 1 1 A 25 25 ILE N N 25 121.791 119.589 2.202 1
1 202 . 14 1 1 A 26 26 ILE H H 26 8.311 8.432 -0.121 1
1 203 . 14 1 1 A 26 26 ILE HA H 26 3.421 3.413 0.008 1
1 211 . 14 1 1 A 26 26 ILE N N 26 122.094 120.951 1.143 1
1 212 . 14 1 1 A 27 27 GLN H H 27 8.169 7.985 0.184 1
1 213 . 14 1 1 A 27 27 GLN HA H 27 3.769 3.884 -0.115 1
1 220 . 14 1 1 A 27 27 GLN N N 27 118.606 117.936 0.670 1
1 222 . 14 1 1 A 28 28 ARG H H 28 8.146 7.763 0.383 1
1 223 . 14 1 1 A 28 28 ARG HA H 28 4.125 3.960 0.165 1
1 230 . 14 1 1 A 28 28 ARG N N 28 118.685 119.496 -0.811 1
1 231 . 14 1 1 A 29 29 ALA H H 29 8.176 7.773 0.403 1
1 232 . 14 1 1 A 29 29 ALA HA H 29 4.318 4.027 0.291 1
1 236 . 14 1 1 A 29 29 ALA N N 29 123.579 122.418 1.161 1
1 237 . 14 1 1 A 30 30 LEU H H 30 8.415 8.121 0.294 1
1 238 . 14 1 1 A 30 30 LEU HA H 30 3.774 3.880 -0.106 1
1 248 . 14 1 1 A 30 30 LEU N N 30 116.873 119.149 -2.276 1
1 249 . 14 1 1 A 31 31 GLU H H 31 7.865 7.907 -0.042 1
1 250 . 14 1 1 A 31 31 GLU HA H 31 4.172 4.002 0.170 1
1 255 . 14 1 1 A 31 31 GLU N N 31 117.422 119.053 -1.631 1
1 256 . 14 1 1 A 32 32 ASN H H 32 8.715 8.172 0.543 1
1 257 . 14 1 1 A 32 32 ASN HA H 32 4.434 4.481 -0.047 1
1 262 . 14 1 1 A 32 32 ASN N N 32 120.768 118.125 2.643 1
1 264 . 14 1 1 A 33 33 TYR H H 33 7.882 7.859 0.023 1
1 265 . 14 1 1 A 33 33 TYR HA H 33 4.321 4.513 -0.192 1
1 272 . 14 1 1 A 33 33 TYR N N 33 117.207 119.701 -2.494 1
1 273 . 14 1 1 A 34 34 GLY H H 34 7.668 8.240 -0.572 1
1 274 . 14 1 1 A 34 34 GLY HA2 H 34 3.796 3.795 0.001 1
1 275 . 14 1 1 A 34 34 GLY HA3 H 34 4.037 3.930 0.107 1
1 276 . 14 1 1 A 34 34 GLY N N 34 104.268 108.545 -4.277 1
1 277 . 14 1 1 A 35 35 ALA H H 35 8.373 8.514 -0.141 1
1 278 . 14 1 1 A 35 35 ALA HA H 35 4.955 4.981 -0.026 1
1 282 . 14 1 1 A 35 35 ALA N N 35 120.534 122.516 -1.982 1
1 283 . 14 1 1 A 36 36 ARG H H 36 9.073 8.830 0.243 1
1 284 . 14 1 1 A 36 36 ARG HA H 36 4.582 5.072 -0.490 1
1 289 . 14 1 1 A 36 36 ARG N N 36 123.245 119.661 3.584 1
1 290 . 14 1 1 A 37 37 VAL H H 37 9.105 8.947 0.158 1
1 291 . 14 1 1 A 37 37 VAL HA H 37 4.011 4.353 -0.342 1
1 299 . 14 1 1 A 37 37 VAL N N 37 126.869 123.924 2.945 1
1 300 . 14 1 1 A 38 38 GLU H H 38 9.217 9.280 -0.063 1
1 301 . 14 1 1 A 38 38 GLU HA H 38 4.395 4.347 0.048 1
1 306 . 14 1 1 A 38 38 GLU N N 38 129.074 127.447 1.627 1
1 307 . 14 1 1 A 39 39 LYS H H 39 7.822 7.636 0.186 1
1 308 . 14 1 1 A 39 39 LYS HA H 39 4.672 4.725 -0.053 1
1 315 . 14 1 1 A 39 39 LYS N N 39 116.882 118.419 -1.537 1
1 316 . 14 1 1 A 40 40 VAL H H 40 8.412 8.792 -0.380 1
1 317 . 14 1 1 A 40 40 VAL HA H 40 4.892 4.461 0.431 1
1 325 . 14 1 1 A 40 40 VAL N N 40 121.731 121.295 0.436 1
1 326 . 14 1 1 A 41 41 GLU H H 41 9.523 9.098 0.425 1
1 327 . 14 1 1 A 41 41 GLU HA H 41 4.688 4.936 -0.248 1
1 332 . 14 1 1 A 41 41 GLU N N 41 126.064 128.350 -2.286 1
1 333 . 14 1 1 A 42 42 GLU H H 42 9.049 8.880 0.169 1
1 334 . 14 1 1 A 42 42 GLU HA H 42 4.658 4.694 -0.036 1
1 339 . 14 1 1 A 42 42 GLU N N 42 126.962 123.945 3.017 1
1 340 . 14 1 1 A 43 43 LEU H H 43 7.887 8.997 -1.110 1
1 341 . 14 1 1 A 43 43 LEU HA H 43 4.252 4.358 -0.106 1
1 351 . 14 1 1 A 43 43 LEU N N 43 126.929 125.533 1.396 1
1 352 . 14 1 1 A 44 44 GLY H H 44 7.839 7.969 -0.130 1
1 353 . 14 1 1 A 44 44 GLY HA2 H 44 2.380 3.809 -1.429 1
1 354 . 14 1 1 A 44 44 GLY HA3 H 44 3.940 3.861 0.079 1
1 355 . 14 1 1 A 44 44 GLY N N 44 105.145 107.637 -2.492 1
1 356 . 14 1 1 A 45 45 LEU H H 45 8.579 7.643 0.936 1
1 357 . 14 1 1 A 45 45 LEU HA H 45 4.906 4.151 0.755 1
1 367 . 14 1 1 A 45 45 LEU N N 45 122.487 119.691 2.796 1
1 368 . 14 1 1 A 46 46 ARG H H 46 8.899 8.535 0.364 1
1 369 . 14 1 1 A 46 46 ARG HA H 46 4.584 4.364 0.220 1
1 374 . 14 1 1 A 46 46 ARG N N 46 123.175 121.055 2.120 1
1 375 . 14 1 1 A 47 47 ARG H H 47 8.330 8.495 -0.165 1
1 376 . 14 1 1 A 47 47 ARG HA H 47 4.429 4.921 -0.492 1
1 381 . 14 1 1 A 47 47 ARG N N 47 120.447 119.435 1.012 1
1 382 . 14 1 1 A 48 48 LEU H H 48 8.348 8.466 -0.118 1
1 383 . 14 1 1 A 48 48 LEU HA H 48 4.458 4.487 -0.029 1
1 393 . 14 1 1 A 48 48 LEU N N 48 124.979 120.426 4.553 1
1 394 . 14 1 1 A 49 49 ALA H H 49 7.975 8.665 -0.690 1
1 395 . 14 1 1 A 49 49 ALA HA H 49 4.176 4.644 -0.468 1
1 399 . 14 1 1 A 49 49 ALA N N 49 130.824 122.267 8.557 1
1 400 . 14 1 1 A 50 50 TYR H H 50 8.587 9.249 -0.662 1
1 401 . 14 1 1 A 50 50 TYR HA H 50 4.656 4.262 0.394 1
1 404 . 14 1 1 A 50 50 TYR N N 50 122.514 120.820 1.694 1
1 405 . 14 1 1 A 51 51 PRO HA H 51 4.554 4.560 -0.006 1
1 406 . 14 1 1 A 52 52 ILE H H 52 8.262 8.565 -0.303 1
1 407 . 14 1 1 A 52 52 ILE HA H 52 4.182 3.927 0.255 1
1 414 . 14 1 1 A 52 52 ILE N N 52 121.932 123.523 -1.591 1
1 415 . 14 1 1 A 53 53 ALA H H 53 8.420 8.667 -0.247 1
1 416 . 14 1 1 A 53 53 ALA HA H 53 4.359 4.023 0.336 1
1 420 . 14 1 1 A 53 53 ALA N N 53 128.607 125.718 2.889 1
1 421 . 14 1 1 A 54 54 LYS H H 54 8.338 8.068 0.270 1
1 422 . 14 1 1 A 54 54 LYS HA H 54 4.320 4.393 -0.073 1
1 427 . 14 1 1 A 54 54 LYS N N 54 120.865 116.482 4.383 1
1 428 . 14 1 1 A 55 55 ASP H H 55 8.242 7.320 0.922 1
1 431 . 14 1 1 A 55 55 ASP N N 55 121.940 120.050 1.890 1
1 432 . 14 1 1 A 56 56 PRO HA H 56 4.541 4.551 -0.010 1
1 433 . 14 1 1 A 57 57 GLN H H 57 8.346 8.317 0.029 1
1 434 . 14 1 1 A 57 57 GLN HA H 57 5.113 4.331 0.782 1
1 441 . 14 1 1 A 57 57 GLN N N 57 119.306 120.579 -1.273 1
1 443 . 14 1 1 A 58 58 GLY H H 58 8.724 7.713 1.011 1
1 444 . 14 1 1 A 58 58 GLY HA2 H 58 3.594 4.326 -0.732 1
1 445 . 14 1 1 A 58 58 GLY HA3 H 58 4.313 4.377 -0.064 1
1 446 . 14 1 1 A 58 58 GLY N N 58 103.688 106.384 -2.696 1
1 447 . 14 1 1 A 59 59 TYR H H 59 8.941 8.783 0.158 1
1 448 . 14 1 1 A 59 59 TYR HA H 59 4.741 5.372 -0.631 1
1 453 . 14 1 1 A 59 59 TYR N N 59 123.537 119.661 3.876 1
1 454 . 14 1 1 A 60 60 PHE H H 60 9.215 9.379 -0.164 1
1 455 . 14 1 1 A 60 60 PHE HA H 60 5.054 5.242 -0.188 1
1 460 . 14 1 1 A 60 60 PHE N N 60 130.526 124.336 6.190 1
1 461 . 14 1 1 A 61 61 LEU H H 61 9.388 9.114 0.274 1
1 462 . 14 1 1 A 61 61 LEU HA H 61 5.047 5.392 -0.345 1
1 472 . 14 1 1 A 61 61 LEU N N 61 123.595 122.979 0.616 1
1 473 . 14 1 1 A 62 62 TRP H H 62 8.752 8.202 0.550 1
1 474 . 14 1 1 A 62 62 TRP HA H 62 5.554 5.541 0.013 1
1 481 . 14 1 1 A 62 62 TRP N N 62 125.081 125.338 -0.257 1
1 483 . 14 1 1 A 63 63 TYR H H 63 8.592 8.974 -0.382 1
1 484 . 14 1 1 A 63 63 TYR HA H 63 4.972 5.034 -0.062 1
1 491 . 14 1 1 A 63 63 TYR N N 63 123.346 127.030 -3.684 1
1 492 . 14 1 1 A 64 64 GLN H H 64 8.604 8.571 0.033 1
1 493 . 14 1 1 A 64 64 GLN HA H 64 4.866 4.563 0.303 1
1 500 . 14 1 1 A 64 64 GLN N N 64 123.079 121.616 1.463 1
1 502 . 14 1 1 A 65 65 VAL H H 65 9.204 8.980 0.224 1
1 503 . 14 1 1 A 65 65 VAL HA H 65 5.672 5.090 0.582 1
1 511 . 14 1 1 A 65 65 VAL N N 65 119.156 117.883 1.273 1
1 512 . 14 1 1 A 66 66 GLU H H 66 8.635 8.760 -0.125 1
1 513 . 14 1 1 A 66 66 GLU HA H 66 5.333 5.258 0.075 1
1 518 . 14 1 1 A 66 66 GLU N N 66 121.502 120.580 0.922 1
1 519 . 14 1 1 A 67 67 MET H H 67 9.480 7.714 1.766 1
1 520 . 14 1 1 A 67 67 MET N N 67 122.258 117.932 4.326 1
1 521 . 14 1 1 A 68 68 PRO HA H 68 4.562 4.644 -0.082 1
1 522 . 14 1 1 A 69 69 GLU H H 69 10.059 8.547 1.512 1
1 523 . 14 1 1 A 69 69 GLU HA H 69 4.442 3.546 0.896 1
1 528 . 14 1 1 A 69 69 GLU N N 69 126.845 122.781 4.064 1
1 529 . 14 1 1 A 70 70 ASP H H 70 8.763 8.279 0.484 1
1 530 . 14 1 1 A 70 70 ASP HA H 70 4.568 4.332 0.236 1
1 533 . 14 1 1 A 70 70 ASP N N 70 115.710 121.340 -5.630 1
1 534 . 14 1 1 A 71 71 ARG H H 71 7.679 7.553 0.126 1
1 535 . 14 1 1 A 71 71 ARG HA H 71 4.853 4.218 0.635 1
1 536 . 14 1 1 A 71 71 ARG N N 71 116.513 118.650 -2.137 1
1 537 . 14 1 1 A 72 72 VAL H H 72 6.949 7.413 -0.464 1
1 538 . 14 1 1 A 72 72 VAL HA H 72 3.287 3.600 -0.313 1
1 546 . 14 1 1 A 72 72 VAL N N 72 119.962 119.764 0.198 1
1 547 . 14 1 1 A 73 73 ASN H H 73 8.292 8.241 0.051 1
1 548 . 14 1 1 A 73 73 ASN HA H 73 4.378 4.366 0.012 1
1 553 . 14 1 1 A 73 73 ASN N N 73 117.910 119.368 -1.458 1
1 555 . 14 1 1 A 74 74 ASP H H 74 7.985 8.195 -0.210 1
1 556 . 14 1 1 A 74 74 ASP HA H 74 4.325 4.336 -0.011 1
1 559 . 14 1 1 A 74 74 ASP N N 74 121.962 119.829 2.133 1
1 560 . 14 1 1 A 75 75 LEU H H 75 7.519 8.245 -0.726 1
1 561 . 14 1 1 A 75 75 LEU HA H 75 3.060 3.905 -0.845 1
1 570 . 14 1 1 A 75 75 LEU N N 75 122.206 120.522 1.684 1
1 571 . 14 1 1 A 76 76 ALA H H 76 7.936 8.459 -0.523 1
1 572 . 14 1 1 A 76 76 ALA HA H 76 3.582 3.896 -0.314 1
1 576 . 14 1 1 A 76 76 ALA N N 76 119.529 120.943 -1.414 1
1 577 . 14 1 1 A 77 77 ARG H H 77 7.619 8.293 -0.674 1
1 578 . 14 1 1 A 77 77 ARG HA H 77 3.852 4.106 -0.254 1
1 585 . 14 1 1 A 77 77 ARG N N 77 115.626 117.719 -2.093 1
1 586 . 14 1 1 A 78 78 GLU H H 78 7.739 7.529 0.210 1
1 587 . 14 1 1 A 78 78 GLU HA H 78 4.000 4.077 -0.077 1
1 592 . 14 1 1 A 78 78 GLU N N 78 119.427 120.320 -0.893 1
1 593 . 14 1 1 A 79 79 LEU H H 79 8.183 7.848 0.335 1
1 594 . 14 1 1 A 79 79 LEU HA H 79 4.033 3.999 0.034 1
1 603 . 14 1 1 A 79 79 LEU N N 79 117.433 119.998 -2.565 1
1 604 . 14 1 1 A 80 80 ARG H H 80 7.546 8.050 -0.504 1
1 605 . 14 1 1 A 80 80 ARG HA H 80 3.960 4.109 -0.149 1
1 610 . 14 1 1 A 80 80 ARG N N 80 113.295 120.561 -7.266 1
1 611 . 14 1 1 A 81 81 ILE H H 81 7.280 7.324 -0.044 1
1 612 . 14 1 1 A 81 81 ILE HA H 81 3.987 3.765 0.222 1
1 622 . 14 1 1 A 81 81 ILE N N 81 115.559 118.993 -3.434 1
1 623 . 14 1 1 A 82 82 ARG H H 82 6.846 7.487 -0.641 1
1 624 . 14 1 1 A 82 82 ARG HA H 82 4.231 4.372 -0.141 1
1 631 . 14 1 1 A 82 82 ARG N N 82 119.695 120.337 -0.642 1
1 632 . 14 1 1 A 83 83 ASP H H 83 8.502 8.813 -0.311 1
1 633 . 14 1 1 A 83 83 ASP HA H 83 4.346 4.322 0.024 1
1 636 . 14 1 1 A 83 83 ASP N N 83 123.697 120.514 3.183 1
1 637 . 14 1 1 A 84 84 ASN H H 84 8.883 8.202 0.681 1
1 638 . 14 1 1 A 84 84 ASN HA H 84 4.822 4.567 0.255 1
1 643 . 14 1 1 A 84 84 ASN N N 84 112.236 116.829 -4.593 1
1 645 . 14 1 1 A 85 85 VAL H H 85 7.800 7.766 0.034 1
1 646 . 14 1 1 A 85 85 VAL HA H 85 4.048 4.158 -0.110 1
1 654 . 14 1 1 A 85 85 VAL N N 85 122.112 118.635 3.477 1
1 655 . 14 1 1 A 86 86 ARG H H 86 9.285 8.476 0.809 1
1 656 . 14 1 1 A 86 86 ARG HA H 86 4.432 4.282 0.150 1
1 657 . 14 1 1 A 86 86 ARG N N 86 126.445 129.243 -2.798 1
1 658 . 14 1 1 A 87 87 ARG H H 87 7.671 7.665 0.006 1
1 659 . 14 1 1 A 87 87 ARG HA H 87 4.556 4.681 -0.125 1
1 666 . 14 1 1 A 87 87 ARG N N 87 116.855 118.805 -1.950 1
1 667 . 14 1 1 A 88 88 VAL H H 88 8.904 8.647 0.257 1
1 668 . 14 1 1 A 88 88 VAL HA H 88 4.834 4.829 0.005 1
1 676 . 14 1 1 A 88 88 VAL N N 88 123.751 119.039 4.712 1
1 677 . 14 1 1 A 89 89 MET H H 89 9.119 8.897 0.222 1
1 678 . 14 1 1 A 89 89 MET HA H 89 4.869 5.210 -0.341 1
1 683 . 14 1 1 A 89 89 MET N N 89 127.251 126.577 0.674 1
1 684 . 14 1 1 A 90 90 VAL H H 90 9.007 8.909 0.098 1
1 685 . 14 1 1 A 90 90 VAL HA H 90 4.962 5.042 -0.080 1
1 693 . 14 1 1 A 90 90 VAL N N 90 127.769 126.037 1.732 1
1 694 . 14 1 1 A 91 91 VAL H H 91 9.195 8.503 0.692 1
1 695 . 14 1 1 A 91 91 VAL HA H 91 4.660 4.942 -0.282 1
1 703 . 14 1 1 A 91 91 VAL N N 91 126.267 121.427 4.840 1
1 704 . 14 1 1 A 92 92 LYS H H 92 8.914 8.479 0.435 1
1 705 . 14 1 1 A 92 92 LYS HA H 92 4.124 4.033 0.091 1
1 712 . 14 1 1 A 92 92 LYS N N 92 126.996 123.236 3.760 1
1 713 . 14 1 1 A 93 93 SER H H 93 8.046 8.094 -0.048 1
1 714 . 14 1 1 A 93 93 SER HA H 93 4.396 5.075 -0.679 1
1 717 . 14 1 1 A 93 93 SER N N 93 120.732 116.372 4.360 1
1 718 . 14 1 1 A 94 94 GLN H H 94 8.806 8.842 -0.036 1
1 719 . 14 1 1 A 94 94 GLN HA H 94 4.316 5.377 -1.061 1
1 726 . 14 1 1 A 94 94 GLN N N 94 124.100 121.480 2.620 1
1 728 . 14 1 1 A 95 95 GLU H H 95 8.481 8.848 -0.367 1
1 729 . 14 1 1 A 95 95 GLU HA H 95 4.579 4.943 -0.364 1
1 734 . 14 1 1 A 95 95 GLU N N 95 124.145 121.936 2.209 1
1 735 . 14 1 1 A 96 96 PRO HA H 96 4.408 4.626 -0.218 1
1 742 . 14 1 1 A 97 97 PHE H H 97 8.234 8.134 0.100 1
1 743 . 14 1 1 A 97 97 PHE HA H 97 4.647 4.748 -0.101 1
1 748 . 14 1 1 A 97 97 PHE N N 97 120.145 119.225 0.920 1
1 749 . 14 1 1 A 98 98 LEU H H 98 8.115 8.408 -0.293 1
1 750 . 14 1 1 A 98 98 LEU HA H 98 4.368 5.012 -0.644 1
1 759 . 14 1 1 A 98 98 LEU N N 98 125.838 121.696 4.142 1
1 760 . 14 1 1 A 99 99 ALA H H 99 7.765 8.824 -1.059 1
1 761 . 14 1 1 A 99 99 ALA HA H 99 4.074 4.469 -0.395 1
1 2 . 15 1 1 A 2 2 ARG H H 2 8.836 7.627 1.209 1
1 3 . 15 1 1 A 2 2 ARG HA H 2 4.715 4.813 -0.098 1
1 5 . 15 1 1 A 2 2 ARG N N 2 122.718 121.405 1.313 1
1 6 . 15 1 1 A 3 3 ARG H H 3 8.145 8.522 -0.377 1
1 7 . 15 1 1 A 3 3 ARG HA H 3 5.354 5.379 -0.025 1
1 11 . 15 1 1 A 3 3 ARG N N 3 121.051 122.319 -1.268 1
1 12 . 15 1 1 A 4 4 TYR H H 4 9.186 8.878 0.308 1
1 13 . 15 1 1 A 4 4 TYR HA H 4 5.061 5.213 -0.152 1
1 20 . 15 1 1 A 4 4 TYR N N 4 122.362 118.109 4.253 1
1 21 . 15 1 1 A 5 5 GLU H H 5 9.357 8.478 0.879 1
1 22 . 15 1 1 A 5 5 GLU HA H 5 5.006 4.698 0.308 1
1 27 . 15 1 1 A 5 5 GLU N N 5 119.338 118.628 0.710 1
1 28 . 15 1 1 A 6 6 VAL H H 6 9.387 8.468 0.919 1
1 29 . 15 1 1 A 6 6 VAL HA H 6 4.481 4.633 -0.152 1
1 37 . 15 1 1 A 6 6 VAL N N 6 124.463 123.167 1.296 1
1 38 . 15 1 1 A 7 7 ASN H H 7 9.059 8.610 0.449 1
1 39 . 15 1 1 A 7 7 ASN HA H 7 5.550 4.658 0.892 1
1 44 . 15 1 1 A 7 7 ASN N N 7 125.802 127.079 -1.277 1
1 46 . 15 1 1 A 8 8 ILE H H 8 9.108 8.613 0.495 1
1 47 . 15 1 1 A 8 8 ILE HA H 8 4.851 4.840 0.011 1
1 57 . 15 1 1 A 8 8 ILE N N 8 125.010 125.958 -0.948 1
1 58 . 15 1 1 A 9 9 VAL H H 9 8.669 9.127 -0.458 1
1 59 . 15 1 1 A 9 9 VAL HA H 9 4.518 5.161 -0.643 1
1 67 . 15 1 1 A 9 9 VAL N N 9 125.755 128.123 -2.368 1
1 68 . 15 1 1 A 10 10 LEU H H 10 9.855 9.021 0.834 1
1 69 . 15 1 1 A 10 10 LEU HA H 10 5.341 5.113 0.228 1
1 79 . 15 1 1 A 10 10 LEU N N 10 127.024 129.161 -2.137 1
1 80 . 15 1 1 A 11 11 ASN H H 11 8.316 8.740 -0.424 1
1 85 . 15 1 1 A 11 11 ASN N N 11 118.911 120.561 -1.650 1
1 87 . 15 1 1 A 12 12 PRO HA H 12 4.471 4.673 -0.202 1
1 90 . 15 1 1 A 13 13 ASN H H 13 8.316 8.272 0.044 1
1 91 . 15 1 1 A 13 13 ASN HA H 13 4.813 4.873 -0.060 1
1 96 . 15 1 1 A 13 13 ASN N N 13 118.703 119.324 -0.621 1
1 98 . 15 1 1 A 14 14 LEU H H 14 7.181 7.720 -0.539 1
1 99 . 15 1 1 A 14 14 LEU HA H 14 4.382 4.165 0.217 1
1 109 . 15 1 1 A 14 14 LEU N N 14 118.890 120.121 -1.231 1
1 110 . 15 1 1 A 15 15 ASP H H 15 8.671 8.631 0.040 1
1 111 . 15 1 1 A 15 15 ASP HA H 15 4.704 4.869 -0.165 1
1 114 . 15 1 1 A 15 15 ASP N N 15 122.145 121.156 0.989 1
1 115 . 15 1 1 A 16 16 GLN H H 16 8.549 8.762 -0.213 1
1 116 . 15 1 1 A 16 16 GLN HA H 16 3.939 3.989 -0.050 1
1 123 . 15 1 1 A 16 16 GLN N N 16 116.429 118.346 -1.917 1
1 125 . 15 1 1 A 17 17 SER H H 17 8.352 8.460 -0.108 1
1 126 . 15 1 1 A 17 17 SER HA H 17 4.316 4.193 0.123 1
1 129 . 15 1 1 A 17 17 SER N N 17 117.102 114.332 2.770 1
1 130 . 15 1 1 A 18 18 GLN H H 18 8.683 8.999 -0.316 1
1 131 . 15 1 1 A 18 18 GLN HA H 18 4.065 4.087 -0.022 1
1 138 . 15 1 1 A 18 18 GLN N N 18 124.500 121.621 2.879 1
1 140 . 15 1 1 A 19 19 LEU H H 19 8.792 8.228 0.564 1
1 141 . 15 1 1 A 19 19 LEU HA H 19 3.793 4.339 -0.546 1
1 148 . 15 1 1 A 19 19 LEU N N 19 121.821 121.508 0.313 1
1 149 . 15 1 1 A 20 20 ALA H H 20 7.823 9.155 -1.332 1
1 150 . 15 1 1 A 20 20 ALA HA H 20 4.014 4.040 -0.026 1
1 154 . 15 1 1 A 20 20 ALA N N 20 120.183 121.182 -0.999 1
1 155 . 15 1 1 A 21 21 LEU H H 21 7.569 7.632 -0.063 1
1 156 . 15 1 1 A 21 21 LEU HA H 21 4.255 3.924 0.331 1
1 166 . 15 1 1 A 21 21 LEU N N 21 119.682 117.043 2.639 1
1 167 . 15 1 1 A 22 22 GLU H H 22 8.076 8.374 -0.298 1
1 168 . 15 1 1 A 22 22 GLU HA H 22 4.146 4.065 0.081 1
1 173 . 15 1 1 A 22 22 GLU N N 22 117.135 122.012 -4.877 1
1 174 . 15 1 1 A 23 23 LYS H H 23 8.400 7.535 0.865 1
1 175 . 15 1 1 A 23 23 LYS HA H 23 3.940 3.921 0.019 1
1 182 . 15 1 1 A 23 23 LYS N N 23 117.328 120.334 -3.006 1
1 183 . 15 1 1 A 24 24 GLU H H 24 8.002 7.447 0.555 1
1 184 . 15 1 1 A 24 24 GLU HA H 24 4.134 4.129 0.005 1
1 189 . 15 1 1 A 24 24 GLU N N 24 121.932 118.557 3.375 1
1 190 . 15 1 1 A 25 25 ILE H H 25 8.124 7.384 0.740 1
1 191 . 15 1 1 A 25 25 ILE HA H 25 3.628 3.607 0.021 1
1 201 . 15 1 1 A 25 25 ILE N N 25 121.791 119.943 1.848 1
1 202 . 15 1 1 A 26 26 ILE H H 26 8.311 7.906 0.405 1
1 203 . 15 1 1 A 26 26 ILE HA H 26 3.421 3.517 -0.096 1
1 211 . 15 1 1 A 26 26 ILE N N 26 122.094 120.835 1.259 1
1 212 . 15 1 1 A 27 27 GLN H H 27 8.169 7.812 0.357 1
1 213 . 15 1 1 A 27 27 GLN HA H 27 3.769 3.876 -0.107 1
1 220 . 15 1 1 A 27 27 GLN N N 27 118.606 119.044 -0.438 1
1 222 . 15 1 1 A 28 28 ARG H H 28 8.146 7.717 0.429 1
1 223 . 15 1 1 A 28 28 ARG HA H 28 4.125 4.004 0.121 1
1 230 . 15 1 1 A 28 28 ARG N N 28 118.685 119.709 -1.024 1
1 231 . 15 1 1 A 29 29 ALA H H 29 8.176 7.433 0.743 1
1 232 . 15 1 1 A 29 29 ALA HA H 29 4.318 4.088 0.230 1
1 236 . 15 1 1 A 29 29 ALA N N 29 123.579 121.859 1.720 1
1 237 . 15 1 1 A 30 30 LEU H H 30 8.415 8.068 0.347 1
1 238 . 15 1 1 A 30 30 LEU HA H 30 3.774 3.891 -0.117 1
1 248 . 15 1 1 A 30 30 LEU N N 30 116.873 119.344 -2.471 1
1 249 . 15 1 1 A 31 31 GLU H H 31 7.865 7.940 -0.075 1
1 250 . 15 1 1 A 31 31 GLU HA H 31 4.172 4.000 0.172 1
1 255 . 15 1 1 A 31 31 GLU N N 31 117.422 118.986 -1.564 1
1 256 . 15 1 1 A 32 32 ASN H H 32 8.715 8.083 0.632 1
1 257 . 15 1 1 A 32 32 ASN HA H 32 4.434 4.500 -0.066 1
1 262 . 15 1 1 A 32 32 ASN N N 32 120.768 118.201 2.567 1
1 264 . 15 1 1 A 33 33 TYR H H 33 7.882 7.665 0.217 1
1 265 . 15 1 1 A 33 33 TYR HA H 33 4.321 4.555 -0.234 1
1 272 . 15 1 1 A 33 33 TYR N N 33 117.207 117.615 -0.408 1
1 273 . 15 1 1 A 34 34 GLY H H 34 7.668 8.190 -0.522 1
1 274 . 15 1 1 A 34 34 GLY HA2 H 34 3.796 3.942 -0.146 1
1 275 . 15 1 1 A 34 34 GLY HA3 H 34 4.037 3.951 0.086 1
1 276 . 15 1 1 A 34 34 GLY N N 34 104.268 108.024 -3.756 1
1 277 . 15 1 1 A 35 35 ALA H H 35 8.373 8.629 -0.256 1
1 278 . 15 1 1 A 35 35 ALA HA H 35 4.955 4.574 0.381 1
1 282 . 15 1 1 A 35 35 ALA N N 35 120.534 122.888 -2.354 1
1 283 . 15 1 1 A 36 36 ARG H H 36 9.073 8.946 0.127 1
1 284 . 15 1 1 A 36 36 ARG HA H 36 4.582 4.995 -0.413 1
1 289 . 15 1 1 A 36 36 ARG N N 36 123.245 122.461 0.784 1
1 290 . 15 1 1 A 37 37 VAL H H 37 9.105 8.994 0.111 1
1 291 . 15 1 1 A 37 37 VAL HA H 37 4.011 3.980 0.031 1
1 299 . 15 1 1 A 37 37 VAL N N 37 126.869 123.712 3.157 1
1 300 . 15 1 1 A 38 38 GLU H H 38 9.217 8.806 0.411 1
1 301 . 15 1 1 A 38 38 GLU HA H 38 4.395 4.333 0.062 1
1 306 . 15 1 1 A 38 38 GLU N N 38 129.074 128.145 0.929 1
1 307 . 15 1 1 A 39 39 LYS H H 39 7.822 7.710 0.112 1
1 308 . 15 1 1 A 39 39 LYS HA H 39 4.672 5.109 -0.437 1
1 315 . 15 1 1 A 39 39 LYS N N 39 116.882 117.696 -0.814 1
1 316 . 15 1 1 A 40 40 VAL H H 40 8.412 8.664 -0.252 1
1 317 . 15 1 1 A 40 40 VAL HA H 40 4.892 5.262 -0.370 1
1 325 . 15 1 1 A 40 40 VAL N N 40 121.731 121.846 -0.115 1
1 326 . 15 1 1 A 41 41 GLU H H 41 9.523 8.777 0.746 1
1 327 . 15 1 1 A 41 41 GLU HA H 41 4.688 4.956 -0.268 1
1 332 . 15 1 1 A 41 41 GLU N N 41 126.064 126.989 -0.925 1
1 333 . 15 1 1 A 42 42 GLU H H 42 9.049 8.901 0.148 1
1 334 . 15 1 1 A 42 42 GLU HA H 42 4.658 5.107 -0.449 1
1 339 . 15 1 1 A 42 42 GLU N N 42 126.962 122.595 4.367 1
1 340 . 15 1 1 A 43 43 LEU H H 43 7.887 8.718 -0.831 1
1 341 . 15 1 1 A 43 43 LEU HA H 43 4.252 4.474 -0.222 1
1 351 . 15 1 1 A 43 43 LEU N N 43 126.929 121.089 5.840 1
1 352 . 15 1 1 A 44 44 GLY H H 44 7.839 7.761 0.078 1
1 353 . 15 1 1 A 44 44 GLY HA2 H 44 2.380 4.027 -1.647 1
1 354 . 15 1 1 A 44 44 GLY HA3 H 44 3.940 4.038 -0.098 1
1 355 . 15 1 1 A 44 44 GLY N N 44 105.145 107.939 -2.794 1
1 356 . 15 1 1 A 45 45 LEU H H 45 8.579 8.403 0.176 1
1 357 . 15 1 1 A 45 45 LEU HA H 45 4.906 3.932 0.974 1
1 367 . 15 1 1 A 45 45 LEU N N 45 122.487 122.940 -0.453 1
1 368 . 15 1 1 A 46 46 ARG H H 46 8.899 7.542 1.357 1
1 369 . 15 1 1 A 46 46 ARG HA H 46 4.584 4.307 0.277 1
1 374 . 15 1 1 A 46 46 ARG N N 46 123.175 119.496 3.679 1
1 375 . 15 1 1 A 47 47 ARG H H 47 8.330 7.473 0.857 1
1 376 . 15 1 1 A 47 47 ARG HA H 47 4.429 4.618 -0.189 1
1 381 . 15 1 1 A 47 47 ARG N N 47 120.447 116.872 3.575 1
1 382 . 15 1 1 A 48 48 LEU H H 48 8.348 8.709 -0.361 1
1 383 . 15 1 1 A 48 48 LEU HA H 48 4.458 4.339 0.119 1
1 393 . 15 1 1 A 48 48 LEU N N 48 124.979 123.771 1.208 1
1 394 . 15 1 1 A 49 49 ALA H H 49 7.975 8.444 -0.469 1
1 395 . 15 1 1 A 49 49 ALA HA H 49 4.176 4.348 -0.172 1
1 399 . 15 1 1 A 49 49 ALA N N 49 130.824 126.526 4.298 1
1 400 . 15 1 1 A 50 50 TYR H H 50 8.587 8.361 0.226 1
1 401 . 15 1 1 A 50 50 TYR HA H 50 4.656 4.468 0.188 1
1 404 . 15 1 1 A 50 50 TYR N N 50 122.514 115.985 6.529 1
1 405 . 15 1 1 A 51 51 PRO HA H 51 4.554 4.611 -0.057 1
1 406 . 15 1 1 A 52 52 ILE H H 52 8.262 8.782 -0.520 1
1 407 . 15 1 1 A 52 52 ILE HA H 52 4.182 4.567 -0.385 1
1 414 . 15 1 1 A 52 52 ILE N N 52 121.932 123.355 -1.423 1
1 415 . 15 1 1 A 53 53 ALA H H 53 8.420 8.180 0.240 1
1 416 . 15 1 1 A 53 53 ALA HA H 53 4.359 3.966 0.393 1
1 420 . 15 1 1 A 53 53 ALA N N 53 128.607 122.400 6.207 1
1 421 . 15 1 1 A 54 54 LYS H H 54 8.338 8.381 -0.043 1
1 422 . 15 1 1 A 54 54 LYS HA H 54 4.320 4.567 -0.247 1
1 427 . 15 1 1 A 54 54 LYS N N 54 120.865 119.267 1.598 1
1 428 . 15 1 1 A 55 55 ASP H H 55 8.242 7.729 0.513 1
1 431 . 15 1 1 A 55 55 ASP N N 55 121.940 122.226 -0.286 1
1 432 . 15 1 1 A 56 56 PRO HA H 56 4.541 4.593 -0.052 1
1 433 . 15 1 1 A 57 57 GLN H H 57 8.346 8.430 -0.084 1
1 434 . 15 1 1 A 57 57 GLN HA H 57 5.113 4.490 0.623 1
1 441 . 15 1 1 A 57 57 GLN N N 57 119.306 118.380 0.926 1
1 443 . 15 1 1 A 58 58 GLY H H 58 8.724 8.334 0.390 1
1 444 . 15 1 1 A 58 58 GLY HA2 H 58 3.594 4.216 -0.622 1
1 445 . 15 1 1 A 58 58 GLY HA3 H 58 4.313 4.229 0.084 1
1 446 . 15 1 1 A 58 58 GLY N N 58 103.688 106.775 -3.087 1
1 447 . 15 1 1 A 59 59 TYR H H 59 8.941 8.568 0.373 1
1 448 . 15 1 1 A 59 59 TYR HA H 59 4.741 5.060 -0.319 1
1 453 . 15 1 1 A 59 59 TYR N N 59 123.537 121.977 1.560 1
1 454 . 15 1 1 A 60 60 PHE H H 60 9.215 9.025 0.190 1
1 455 . 15 1 1 A 60 60 PHE HA H 60 5.054 5.473 -0.419 1
1 460 . 15 1 1 A 60 60 PHE N N 60 130.526 130.804 -0.278 1
1 461 . 15 1 1 A 61 61 LEU H H 61 9.388 9.046 0.342 1
1 462 . 15 1 1 A 61 61 LEU HA H 61 5.047 5.370 -0.323 1
1 472 . 15 1 1 A 61 61 LEU N N 61 123.595 128.291 -4.696 1
1 473 . 15 1 1 A 62 62 TRP H H 62 8.752 8.348 0.404 1
1 474 . 15 1 1 A 62 62 TRP HA H 62 5.554 5.219 0.335 1
1 481 . 15 1 1 A 62 62 TRP N N 62 125.081 126.106 -1.025 1
1 483 . 15 1 1 A 63 63 TYR H H 63 8.592 8.562 0.030 1
1 484 . 15 1 1 A 63 63 TYR HA H 63 4.972 5.138 -0.166 1
1 491 . 15 1 1 A 63 63 TYR N N 63 123.346 127.061 -3.715 1
1 492 . 15 1 1 A 64 64 GLN H H 64 8.604 8.683 -0.079 1
1 493 . 15 1 1 A 64 64 GLN HA H 64 4.866 4.828 0.038 1
1 500 . 15 1 1 A 64 64 GLN N N 64 123.079 122.001 1.078 1
1 502 . 15 1 1 A 65 65 VAL H H 65 9.204 8.584 0.620 1
1 503 . 15 1 1 A 65 65 VAL HA H 65 5.672 5.005 0.667 1
1 511 . 15 1 1 A 65 65 VAL N N 65 119.156 118.658 0.498 1
1 512 . 15 1 1 A 66 66 GLU H H 66 8.635 8.923 -0.288 1
1 513 . 15 1 1 A 66 66 GLU HA H 66 5.333 4.871 0.462 1
1 518 . 15 1 1 A 66 66 GLU N N 66 121.502 122.919 -1.417 1
1 519 . 15 1 1 A 67 67 MET H H 67 9.480 8.224 1.256 1
1 520 . 15 1 1 A 67 67 MET N N 67 122.258 124.728 -2.470 1
1 521 . 15 1 1 A 68 68 PRO HA H 68 4.562 4.544 0.018 1
1 522 . 15 1 1 A 69 69 GLU H H 69 10.059 8.651 1.408 1
1 523 . 15 1 1 A 69 69 GLU HA H 69 4.442 3.882 0.560 1
1 528 . 15 1 1 A 69 69 GLU N N 69 126.845 121.876 4.969 1
1 529 . 15 1 1 A 70 70 ASP H H 70 8.763 7.972 0.791 1
1 530 . 15 1 1 A 70 70 ASP HA H 70 4.568 4.440 0.128 1
1 533 . 15 1 1 A 70 70 ASP N N 70 115.710 119.862 -4.152 1
1 534 . 15 1 1 A 71 71 ARG H H 71 7.679 7.884 -0.205 1
1 535 . 15 1 1 A 71 71 ARG HA H 71 4.853 4.173 0.680 1
1 536 . 15 1 1 A 71 71 ARG N N 71 116.513 119.041 -2.528 1
1 537 . 15 1 1 A 72 72 VAL H H 72 6.949 7.774 -0.825 1
1 538 . 15 1 1 A 72 72 VAL HA H 72 3.287 3.778 -0.491 1
1 546 . 15 1 1 A 72 72 VAL N N 72 119.962 119.553 0.409 1
1 547 . 15 1 1 A 73 73 ASN H H 73 8.292 8.279 0.013 1
1 548 . 15 1 1 A 73 73 ASN HA H 73 4.378 4.425 -0.047 1
1 553 . 15 1 1 A 73 73 ASN N N 73 117.910 119.535 -1.625 1
1 555 . 15 1 1 A 74 74 ASP H H 74 7.985 8.281 -0.296 1
1 556 . 15 1 1 A 74 74 ASP HA H 74 4.325 4.306 0.019 1
1 559 . 15 1 1 A 74 74 ASP N N 74 121.962 119.443 2.519 1
1 560 . 15 1 1 A 75 75 LEU H H 75 7.519 7.796 -0.277 1
1 561 . 15 1 1 A 75 75 LEU HA H 75 3.060 3.923 -0.863 1
1 570 . 15 1 1 A 75 75 LEU N N 75 122.206 119.462 2.744 1
1 571 . 15 1 1 A 76 76 ALA H H 76 7.936 7.900 0.036 1
1 572 . 15 1 1 A 76 76 ALA HA H 76 3.582 3.973 -0.391 1
1 576 . 15 1 1 A 76 76 ALA N N 76 119.529 122.172 -2.643 1
1 577 . 15 1 1 A 77 77 ARG H H 77 7.619 8.252 -0.633 1
1 578 . 15 1 1 A 77 77 ARG HA H 77 3.852 4.018 -0.166 1
1 585 . 15 1 1 A 77 77 ARG N N 77 115.626 118.501 -2.875 1
1 586 . 15 1 1 A 78 78 GLU H H 78 7.739 7.671 0.068 1
1 587 . 15 1 1 A 78 78 GLU HA H 78 4.000 4.015 -0.015 1
1 592 . 15 1 1 A 78 78 GLU N N 78 119.427 118.815 0.612 1
1 593 . 15 1 1 A 79 79 LEU H H 79 8.183 8.228 -0.045 1
1 594 . 15 1 1 A 79 79 LEU HA H 79 4.033 3.870 0.163 1
1 603 . 15 1 1 A 79 79 LEU N N 79 117.433 120.622 -3.189 1
1 604 . 15 1 1 A 80 80 ARG H H 80 7.546 7.881 -0.335 1
1 605 . 15 1 1 A 80 80 ARG HA H 80 3.960 4.024 -0.064 1
1 610 . 15 1 1 A 80 80 ARG N N 80 113.295 118.837 -5.542 1
1 611 . 15 1 1 A 81 81 ILE H H 81 7.280 7.433 -0.153 1
1 612 . 15 1 1 A 81 81 ILE HA H 81 3.987 4.113 -0.126 1
1 622 . 15 1 1 A 81 81 ILE N N 81 115.559 117.572 -2.013 1
1 623 . 15 1 1 A 82 82 ARG H H 82 6.846 7.273 -0.427 1
1 624 . 15 1 1 A 82 82 ARG HA H 82 4.231 4.163 0.068 1
1 631 . 15 1 1 A 82 82 ARG N N 82 119.695 123.028 -3.333 1
1 632 . 15 1 1 A 83 83 ASP H H 83 8.502 8.858 -0.356 1
1 633 . 15 1 1 A 83 83 ASP HA H 83 4.346 4.317 0.029 1
1 636 . 15 1 1 A 83 83 ASP N N 83 123.697 125.536 -1.839 1
1 637 . 15 1 1 A 84 84 ASN H H 84 8.883 8.159 0.724 1
1 638 . 15 1 1 A 84 84 ASN HA H 84 4.822 4.573 0.249 1
1 643 . 15 1 1 A 84 84 ASN N N 84 112.236 116.052 -3.816 1
1 645 . 15 1 1 A 85 85 VAL H H 85 7.800 7.569 0.231 1
1 646 . 15 1 1 A 85 85 VAL HA H 85 4.048 4.081 -0.033 1
1 654 . 15 1 1 A 85 85 VAL N N 85 122.112 118.944 3.168 1
1 655 . 15 1 1 A 86 86 ARG H H 86 9.285 8.649 0.636 1
1 656 . 15 1 1 A 86 86 ARG HA H 86 4.432 4.368 0.064 1
1 657 . 15 1 1 A 86 86 ARG N N 86 126.445 129.142 -2.697 1
1 658 . 15 1 1 A 87 87 ARG H H 87 7.671 7.648 0.023 1
1 659 . 15 1 1 A 87 87 ARG HA H 87 4.556 4.922 -0.366 1
1 666 . 15 1 1 A 87 87 ARG N N 87 116.855 116.361 0.494 1
1 667 . 15 1 1 A 88 88 VAL H H 88 8.904 8.651 0.253 1
1 668 . 15 1 1 A 88 88 VAL HA H 88 4.834 4.844 -0.010 1
1 676 . 15 1 1 A 88 88 VAL N N 88 123.751 117.770 5.981 1
1 677 . 15 1 1 A 89 89 MET H H 89 9.119 8.893 0.226 1
1 678 . 15 1 1 A 89 89 MET HA H 89 4.869 5.326 -0.457 1
1 683 . 15 1 1 A 89 89 MET N N 89 127.251 124.973 2.278 1
1 684 . 15 1 1 A 90 90 VAL H H 90 9.007 8.923 0.084 1
1 685 . 15 1 1 A 90 90 VAL HA H 90 4.962 4.861 0.101 1
1 693 . 15 1 1 A 90 90 VAL N N 90 127.769 125.683 2.086 1
1 694 . 15 1 1 A 91 91 VAL H H 91 9.195 9.139 0.056 1
1 695 . 15 1 1 A 91 91 VAL HA H 91 4.660 4.974 -0.314 1
1 703 . 15 1 1 A 91 91 VAL N N 91 126.267 124.267 2.000 1
1 704 . 15 1 1 A 92 92 LYS H H 92 8.914 8.920 -0.006 1
1 705 . 15 1 1 A 92 92 LYS HA H 92 4.124 4.775 -0.651 1
1 712 . 15 1 1 A 92 92 LYS N N 92 126.996 127.563 -0.567 1
1 713 . 15 1 1 A 93 93 SER H H 93 8.046 8.745 -0.699 1
1 714 . 15 1 1 A 93 93 SER HA H 93 4.396 4.669 -0.273 1
1 717 . 15 1 1 A 93 93 SER N N 93 120.732 118.535 2.197 1
1 718 . 15 1 1 A 94 94 GLN H H 94 8.806 8.208 0.598 1
1 719 . 15 1 1 A 94 94 GLN HA H 94 4.316 4.583 -0.267 1
1 726 . 15 1 1 A 94 94 GLN N N 94 124.100 125.521 -1.421 1
1 728 . 15 1 1 A 95 95 GLU H H 95 8.481 8.490 -0.009 1
1 729 . 15 1 1 A 95 95 GLU HA H 95 4.579 4.884 -0.305 1
1 734 . 15 1 1 A 95 95 GLU N N 95 124.145 119.106 5.039 1
1 735 . 15 1 1 A 96 96 PRO HA H 96 4.408 4.832 -0.424 1
1 742 . 15 1 1 A 97 97 PHE H H 97 8.234 8.918 -0.684 1
1 743 . 15 1 1 A 97 97 PHE HA H 97 4.647 5.019 -0.372 1
1 748 . 15 1 1 A 97 97 PHE N N 97 120.145 124.247 -4.102 1
1 749 . 15 1 1 A 98 98 LEU H H 98 8.115 8.840 -0.725 1
1 750 . 15 1 1 A 98 98 LEU HA H 98 4.368 5.229 -0.861 1
1 759 . 15 1 1 A 98 98 LEU N N 98 125.838 121.617 4.221 1
1 760 . 15 1 1 A 99 99 ALA H H 99 7.765 8.709 -0.944 1
1 761 . 15 1 1 A 99 99 ALA HA H 99 4.074 4.667 -0.593 1
1 2 . 16 1 1 A 2 2 ARG H H 2 8.836 7.262 1.574 1
1 3 . 16 1 1 A 2 2 ARG HA H 2 4.715 5.027 -0.312 1
1 5 . 16 1 1 A 2 2 ARG N N 2 122.718 117.643 5.075 1
1 6 . 16 1 1 A 3 3 ARG H H 3 8.145 8.086 0.059 1
1 7 . 16 1 1 A 3 3 ARG HA H 3 5.354 5.628 -0.274 1
1 11 . 16 1 1 A 3 3 ARG N N 3 121.051 120.229 0.822 1
1 12 . 16 1 1 A 4 4 TYR H H 4 9.186 9.108 0.078 1
1 13 . 16 1 1 A 4 4 TYR HA H 4 5.061 5.171 -0.110 1
1 20 . 16 1 1 A 4 4 TYR N N 4 122.362 122.483 -0.121 1
1 21 . 16 1 1 A 5 5 GLU H H 5 9.357 8.548 0.809 1
1 22 . 16 1 1 A 5 5 GLU HA H 5 5.006 5.114 -0.108 1
1 27 . 16 1 1 A 5 5 GLU N N 5 119.338 119.735 -0.397 1
1 28 . 16 1 1 A 6 6 VAL H H 6 9.387 8.508 0.879 1
1 29 . 16 1 1 A 6 6 VAL HA H 6 4.481 5.157 -0.676 1
1 37 . 16 1 1 A 6 6 VAL N N 6 124.463 123.505 0.958 1
1 38 . 16 1 1 A 7 7 ASN H H 7 9.059 8.884 0.175 1
1 39 . 16 1 1 A 7 7 ASN HA H 7 5.550 5.690 -0.140 1
1 44 . 16 1 1 A 7 7 ASN N N 7 125.802 126.472 -0.670 1
1 46 . 16 1 1 A 8 8 ILE H H 8 9.108 9.044 0.064 1
1 47 . 16 1 1 A 8 8 ILE HA H 8 4.851 4.769 0.082 1
1 57 . 16 1 1 A 8 8 ILE N N 8 125.010 125.542 -0.532 1
1 58 . 16 1 1 A 9 9 VAL H H 9 8.669 9.121 -0.452 1
1 59 . 16 1 1 A 9 9 VAL HA H 9 4.518 5.062 -0.544 1
1 67 . 16 1 1 A 9 9 VAL N N 9 125.755 128.722 -2.967 1
1 68 . 16 1 1 A 10 10 LEU H H 10 9.855 9.103 0.752 1
1 69 . 16 1 1 A 10 10 LEU HA H 10 5.341 5.412 -0.071 1
1 79 . 16 1 1 A 10 10 LEU N N 10 127.024 124.764 2.260 1
1 80 . 16 1 1 A 11 11 ASN H H 11 8.316 8.838 -0.522 1
1 85 . 16 1 1 A 11 11 ASN N N 11 118.911 116.710 2.201 1
1 87 . 16 1 1 A 12 12 PRO HA H 12 4.471 4.625 -0.154 1
1 90 . 16 1 1 A 13 13 ASN H H 13 8.316 8.276 0.040 1
1 91 . 16 1 1 A 13 13 ASN HA H 13 4.813 4.516 0.297 1
1 96 . 16 1 1 A 13 13 ASN N N 13 118.703 119.759 -1.056 1
1 98 . 16 1 1 A 14 14 LEU H H 14 7.181 7.646 -0.465 1
1 99 . 16 1 1 A 14 14 LEU HA H 14 4.382 4.287 0.095 1
1 109 . 16 1 1 A 14 14 LEU N N 14 118.890 120.671 -1.781 1
1 110 . 16 1 1 A 15 15 ASP H H 15 8.671 8.627 0.044 1
1 111 . 16 1 1 A 15 15 ASP HA H 15 4.704 4.830 -0.126 1
1 114 . 16 1 1 A 15 15 ASP N N 15 122.145 120.885 1.260 1
1 115 . 16 1 1 A 16 16 GLN H H 16 8.549 8.554 -0.005 1
1 116 . 16 1 1 A 16 16 GLN HA H 16 3.939 3.913 0.026 1
1 123 . 16 1 1 A 16 16 GLN N N 16 116.429 117.968 -1.539 1
1 125 . 16 1 1 A 17 17 SER H H 17 8.352 7.882 0.470 1
1 126 . 16 1 1 A 17 17 SER HA H 17 4.316 4.098 0.218 1
1 129 . 16 1 1 A 17 17 SER N N 17 117.102 115.653 1.449 1
1 130 . 16 1 1 A 18 18 GLN H H 18 8.683 9.237 -0.554 1
1 131 . 16 1 1 A 18 18 GLN HA H 18 4.065 4.080 -0.015 1
1 138 . 16 1 1 A 18 18 GLN N N 18 124.500 121.211 3.289 1
1 140 . 16 1 1 A 19 19 LEU H H 19 8.792 8.150 0.642 1
1 141 . 16 1 1 A 19 19 LEU HA H 19 3.793 4.055 -0.262 1
1 148 . 16 1 1 A 19 19 LEU N N 19 121.821 121.753 0.068 1
1 149 . 16 1 1 A 20 20 ALA H H 20 7.823 8.198 -0.375 1
1 150 . 16 1 1 A 20 20 ALA HA H 20 4.014 3.992 0.022 1
1 154 . 16 1 1 A 20 20 ALA N N 20 120.183 120.847 -0.664 1
1 155 . 16 1 1 A 21 21 LEU H H 21 7.569 7.386 0.183 1
1 156 . 16 1 1 A 21 21 LEU HA H 21 4.255 3.892 0.363 1
1 166 . 16 1 1 A 21 21 LEU N N 21 119.682 117.324 2.358 1
1 167 . 16 1 1 A 22 22 GLU H H 22 8.076 8.756 -0.680 1
1 168 . 16 1 1 A 22 22 GLU HA H 22 4.146 4.055 0.091 1
1 173 . 16 1 1 A 22 22 GLU N N 22 117.135 122.180 -5.045 1
1 174 . 16 1 1 A 23 23 LYS H H 23 8.400 7.607 0.793 1
1 175 . 16 1 1 A 23 23 LYS HA H 23 3.940 4.080 -0.140 1
1 182 . 16 1 1 A 23 23 LYS N N 23 117.328 119.394 -2.066 1
1 183 . 16 1 1 A 24 24 GLU H H 24 8.002 7.884 0.118 1
1 184 . 16 1 1 A 24 24 GLU HA H 24 4.134 4.080 0.054 1
1 189 . 16 1 1 A 24 24 GLU N N 24 121.932 118.785 3.147 1
1 190 . 16 1 1 A 25 25 ILE H H 25 8.124 7.484 0.640 1
1 191 . 16 1 1 A 25 25 ILE HA H 25 3.628 3.819 -0.191 1
1 201 . 16 1 1 A 25 25 ILE N N 25 121.791 119.182 2.609 1
1 202 . 16 1 1 A 26 26 ILE H H 26 8.311 8.090 0.221 1
1 203 . 16 1 1 A 26 26 ILE HA H 26 3.421 3.433 -0.012 1
1 211 . 16 1 1 A 26 26 ILE N N 26 122.094 122.896 -0.802 1
1 212 . 16 1 1 A 27 27 GLN H H 27 8.169 7.992 0.177 1
1 213 . 16 1 1 A 27 27 GLN HA H 27 3.769 3.942 -0.173 1
1 220 . 16 1 1 A 27 27 GLN N N 27 118.606 118.412 0.194 1
1 222 . 16 1 1 A 28 28 ARG H H 28 8.146 8.564 -0.418 1
1 223 . 16 1 1 A 28 28 ARG HA H 28 4.125 4.070 0.055 1
1 230 . 16 1 1 A 28 28 ARG N N 28 118.685 119.034 -0.349 1
1 231 . 16 1 1 A 29 29 ALA H H 29 8.176 8.527 -0.351 1
1 232 . 16 1 1 A 29 29 ALA HA H 29 4.318 4.030 0.288 1
1 236 . 16 1 1 A 29 29 ALA N N 29 123.579 122.388 1.191 1
1 237 . 16 1 1 A 30 30 LEU H H 30 8.415 7.568 0.847 1
1 238 . 16 1 1 A 30 30 LEU HA H 30 3.774 3.922 -0.148 1
1 248 . 16 1 1 A 30 30 LEU N N 30 116.873 117.185 -0.312 1
1 249 . 16 1 1 A 31 31 GLU H H 31 7.865 7.850 0.015 1
1 250 . 16 1 1 A 31 31 GLU HA H 31 4.172 4.069 0.103 1
1 255 . 16 1 1 A 31 31 GLU N N 31 117.422 119.699 -2.277 1
1 256 . 16 1 1 A 32 32 ASN H H 32 8.715 8.439 0.276 1
1 257 . 16 1 1 A 32 32 ASN HA H 32 4.434 4.484 -0.050 1
1 262 . 16 1 1 A 32 32 ASN N N 32 120.768 118.092 2.676 1
1 264 . 16 1 1 A 33 33 TYR H H 33 7.882 8.147 -0.265 1
1 265 . 16 1 1 A 33 33 TYR HA H 33 4.321 4.303 0.018 1
1 272 . 16 1 1 A 33 33 TYR N N 33 117.207 120.635 -3.428 1
1 273 . 16 1 1 A 34 34 GLY H H 34 7.668 8.073 -0.405 1
1 274 . 16 1 1 A 34 34 GLY HA2 H 34 3.796 3.832 -0.036 1
1 275 . 16 1 1 A 34 34 GLY HA3 H 34 4.037 4.017 0.020 1
1 276 . 16 1 1 A 34 34 GLY N N 34 104.268 107.918 -3.650 1
1 277 . 16 1 1 A 35 35 ALA H H 35 8.373 7.799 0.574 1
1 278 . 16 1 1 A 35 35 ALA HA H 35 4.955 4.872 0.083 1
1 282 . 16 1 1 A 35 35 ALA N N 35 120.534 123.093 -2.559 1
1 283 . 16 1 1 A 36 36 ARG H H 36 9.073 9.027 0.046 1
1 284 . 16 1 1 A 36 36 ARG HA H 36 4.582 5.031 -0.449 1
1 289 . 16 1 1 A 36 36 ARG N N 36 123.245 122.990 0.255 1
1 290 . 16 1 1 A 37 37 VAL H H 37 9.105 8.763 0.342 1
1 291 . 16 1 1 A 37 37 VAL HA H 37 4.011 4.730 -0.719 1
1 299 . 16 1 1 A 37 37 VAL N N 37 126.869 123.494 3.375 1
1 300 . 16 1 1 A 38 38 GLU H H 38 9.217 8.973 0.244 1
1 301 . 16 1 1 A 38 38 GLU HA H 38 4.395 4.478 -0.083 1
1 306 . 16 1 1 A 38 38 GLU N N 38 129.074 130.296 -1.222 1
1 307 . 16 1 1 A 39 39 LYS H H 39 7.822 7.241 0.581 1
1 308 . 16 1 1 A 39 39 LYS HA H 39 4.672 4.828 -0.156 1
1 315 . 16 1 1 A 39 39 LYS N N 39 116.882 117.260 -0.378 1
1 316 . 16 1 1 A 40 40 VAL H H 40 8.412 9.035 -0.623 1
1 317 . 16 1 1 A 40 40 VAL HA H 40 4.892 4.926 -0.034 1
1 325 . 16 1 1 A 40 40 VAL N N 40 121.731 122.863 -1.132 1
1 326 . 16 1 1 A 41 41 GLU H H 41 9.523 8.776 0.747 1
1 327 . 16 1 1 A 41 41 GLU HA H 41 4.688 5.019 -0.331 1
1 332 . 16 1 1 A 41 41 GLU N N 41 126.064 129.658 -3.594 1
1 333 . 16 1 1 A 42 42 GLU H H 42 9.049 8.757 0.292 1
1 334 . 16 1 1 A 42 42 GLU HA H 42 4.658 4.554 0.104 1
1 339 . 16 1 1 A 42 42 GLU N N 42 126.962 125.305 1.657 1
1 340 . 16 1 1 A 43 43 LEU H H 43 7.887 8.943 -1.056 1
1 341 . 16 1 1 A 43 43 LEU HA H 43 4.252 4.852 -0.600 1
1 351 . 16 1 1 A 43 43 LEU N N 43 126.929 128.010 -1.081 1
1 352 . 16 1 1 A 44 44 GLY H H 44 7.839 8.809 -0.970 1
1 353 . 16 1 1 A 44 44 GLY HA2 H 44 2.380 4.110 -1.730 1
1 354 . 16 1 1 A 44 44 GLY HA3 H 44 3.940 4.125 -0.185 1
1 355 . 16 1 1 A 44 44 GLY N N 44 105.145 113.800 -8.655 1
1 356 . 16 1 1 A 45 45 LEU H H 45 8.579 8.621 -0.042 1
1 357 . 16 1 1 A 45 45 LEU HA H 45 4.906 4.352 0.554 1
1 367 . 16 1 1 A 45 45 LEU N N 45 122.487 121.456 1.031 1
1 368 . 16 1 1 A 46 46 ARG H H 46 8.899 8.513 0.386 1
1 369 . 16 1 1 A 46 46 ARG HA H 46 4.584 4.623 -0.039 1
1 374 . 16 1 1 A 46 46 ARG N N 46 123.175 122.552 0.623 1
1 375 . 16 1 1 A 47 47 ARG H H 47 8.330 7.835 0.495 1
1 376 . 16 1 1 A 47 47 ARG HA H 47 4.429 4.534 -0.105 1
1 381 . 16 1 1 A 47 47 ARG N N 47 120.447 118.571 1.876 1
1 382 . 16 1 1 A 48 48 LEU H H 48 8.348 7.453 0.895 1
1 383 . 16 1 1 A 48 48 LEU HA H 48 4.458 4.447 0.011 1
1 393 . 16 1 1 A 48 48 LEU N N 48 124.979 121.907 3.072 1
1 394 . 16 1 1 A 49 49 ALA H H 49 7.975 9.400 -1.425 1
1 395 . 16 1 1 A 49 49 ALA HA H 49 4.176 4.777 -0.601 1
1 399 . 16 1 1 A 49 49 ALA N N 49 130.824 128.368 2.456 1
1 400 . 16 1 1 A 50 50 TYR H H 50 8.587 9.107 -0.520 1
1 401 . 16 1 1 A 50 50 TYR HA H 50 4.656 4.250 0.406 1
1 404 . 16 1 1 A 50 50 TYR N N 50 122.514 122.519 -0.005 1
1 405 . 16 1 1 A 51 51 PRO HA H 51 4.554 4.603 -0.049 1
1 406 . 16 1 1 A 52 52 ILE H H 52 8.262 8.649 -0.387 1
1 407 . 16 1 1 A 52 52 ILE HA H 52 4.182 4.146 0.036 1
1 414 . 16 1 1 A 52 52 ILE N N 52 121.932 119.135 2.797 1
1 415 . 16 1 1 A 53 53 ALA H H 53 8.420 7.792 0.628 1
1 416 . 16 1 1 A 53 53 ALA HA H 53 4.359 4.078 0.281 1
1 420 . 16 1 1 A 53 53 ALA N N 53 128.607 124.099 4.508 1
1 421 . 16 1 1 A 54 54 LYS H H 54 8.338 8.904 -0.566 1
1 422 . 16 1 1 A 54 54 LYS HA H 54 4.320 3.764 0.556 1
1 427 . 16 1 1 A 54 54 LYS N N 54 120.865 119.965 0.900 1
1 428 . 16 1 1 A 55 55 ASP H H 55 8.242 7.799 0.443 1
1 431 . 16 1 1 A 55 55 ASP N N 55 121.940 118.786 3.154 1
1 432 . 16 1 1 A 56 56 PRO HA H 56 4.541 4.702 -0.161 1
1 433 . 16 1 1 A 57 57 GLN H H 57 8.346 8.120 0.226 1
1 434 . 16 1 1 A 57 57 GLN HA H 57 5.113 4.430 0.683 1
1 441 . 16 1 1 A 57 57 GLN N N 57 119.306 118.982 0.324 1
1 443 . 16 1 1 A 58 58 GLY H H 58 8.724 8.073 0.651 1
1 444 . 16 1 1 A 58 58 GLY HA2 H 58 3.594 3.719 -0.125 1
1 445 . 16 1 1 A 58 58 GLY HA3 H 58 4.313 4.000 0.313 1
1 446 . 16 1 1 A 58 58 GLY N N 58 103.688 106.364 -2.676 1
1 447 . 16 1 1 A 59 59 TYR H H 59 8.941 8.028 0.913 1
1 448 . 16 1 1 A 59 59 TYR HA H 59 4.741 5.219 -0.478 1
1 453 . 16 1 1 A 59 59 TYR N N 59 123.537 124.666 -1.129 1
1 454 . 16 1 1 A 60 60 PHE H H 60 9.215 9.008 0.207 1
1 455 . 16 1 1 A 60 60 PHE HA H 60 5.054 5.424 -0.370 1
1 460 . 16 1 1 A 60 60 PHE N N 60 130.526 124.769 5.757 1
1 461 . 16 1 1 A 61 61 LEU H H 61 9.388 9.111 0.277 1
1 462 . 16 1 1 A 61 61 LEU HA H 61 5.047 4.769 0.278 1
1 472 . 16 1 1 A 61 61 LEU N N 61 123.595 128.904 -5.309 1
1 473 . 16 1 1 A 62 62 TRP H H 62 8.752 8.568 0.184 1
1 474 . 16 1 1 A 62 62 TRP HA H 62 5.554 5.559 -0.005 1
1 481 . 16 1 1 A 62 62 TRP N N 62 125.081 128.573 -3.492 1
1 483 . 16 1 1 A 63 63 TYR H H 63 8.592 8.687 -0.095 1
1 484 . 16 1 1 A 63 63 TYR HA H 63 4.972 5.750 -0.778 1
1 491 . 16 1 1 A 63 63 TYR N N 63 123.346 122.481 0.865 1
1 492 . 16 1 1 A 64 64 GLN H H 64 8.604 8.584 0.020 1
1 493 . 16 1 1 A 64 64 GLN HA H 64 4.866 4.786 0.080 1
1 500 . 16 1 1 A 64 64 GLN N N 64 123.079 119.644 3.435 1
1 502 . 16 1 1 A 65 65 VAL H H 65 9.204 8.683 0.521 1
1 503 . 16 1 1 A 65 65 VAL HA H 65 5.672 5.220 0.452 1
1 511 . 16 1 1 A 65 65 VAL N N 65 119.156 117.826 1.330 1
1 512 . 16 1 1 A 66 66 GLU H H 66 8.635 8.447 0.188 1
1 513 . 16 1 1 A 66 66 GLU HA H 66 5.333 5.124 0.209 1
1 518 . 16 1 1 A 66 66 GLU N N 66 121.502 122.497 -0.995 1
1 519 . 16 1 1 A 67 67 MET H H 67 9.480 8.761 0.719 1
1 520 . 16 1 1 A 67 67 MET N N 67 122.258 123.137 -0.879 1
1 521 . 16 1 1 A 68 68 PRO HA H 68 4.562 4.625 -0.063 1
1 522 . 16 1 1 A 69 69 GLU H H 69 10.059 8.681 1.378 1
1 523 . 16 1 1 A 69 69 GLU HA H 69 4.442 3.941 0.501 1
1 528 . 16 1 1 A 69 69 GLU N N 69 126.845 121.869 4.976 1
1 529 . 16 1 1 A 70 70 ASP H H 70 8.763 7.982 0.781 1
1 530 . 16 1 1 A 70 70 ASP HA H 70 4.568 4.471 0.097 1
1 533 . 16 1 1 A 70 70 ASP N N 70 115.710 120.756 -5.046 1
1 534 . 16 1 1 A 71 71 ARG H H 71 7.679 7.836 -0.157 1
1 535 . 16 1 1 A 71 71 ARG HA H 71 4.853 4.259 0.594 1
1 536 . 16 1 1 A 71 71 ARG N N 71 116.513 118.856 -2.343 1
1 537 . 16 1 1 A 72 72 VAL H H 72 6.949 7.658 -0.709 1
1 538 . 16 1 1 A 72 72 VAL HA H 72 3.287 3.621 -0.334 1
1 546 . 16 1 1 A 72 72 VAL N N 72 119.962 120.249 -0.287 1
1 547 . 16 1 1 A 73 73 ASN H H 73 8.292 8.283 0.009 1
1 548 . 16 1 1 A 73 73 ASN HA H 73 4.378 4.390 -0.012 1
1 553 . 16 1 1 A 73 73 ASN N N 73 117.910 119.144 -1.234 1
1 555 . 16 1 1 A 74 74 ASP H H 74 7.985 8.071 -0.086 1
1 556 . 16 1 1 A 74 74 ASP HA H 74 4.325 4.366 -0.041 1
1 559 . 16 1 1 A 74 74 ASP N N 74 121.962 119.812 2.150 1
1 560 . 16 1 1 A 75 75 LEU H H 75 7.519 8.188 -0.669 1
1 561 . 16 1 1 A 75 75 LEU HA H 75 3.060 3.776 -0.716 1
1 570 . 16 1 1 A 75 75 LEU N N 75 122.206 120.527 1.679 1
1 571 . 16 1 1 A 76 76 ALA H H 76 7.936 8.081 -0.145 1
1 572 . 16 1 1 A 76 76 ALA HA H 76 3.582 3.986 -0.404 1
1 576 . 16 1 1 A 76 76 ALA N N 76 119.529 121.218 -1.689 1
1 577 . 16 1 1 A 77 77 ARG H H 77 7.619 8.008 -0.389 1
1 578 . 16 1 1 A 77 77 ARG HA H 77 3.852 4.133 -0.281 1
1 585 . 16 1 1 A 77 77 ARG N N 77 115.626 117.984 -2.358 1
1 586 . 16 1 1 A 78 78 GLU H H 78 7.739 7.991 -0.252 1
1 587 . 16 1 1 A 78 78 GLU HA H 78 4.000 4.057 -0.057 1
1 592 . 16 1 1 A 78 78 GLU N N 78 119.427 119.799 -0.372 1
1 593 . 16 1 1 A 79 79 LEU H H 79 8.183 7.847 0.336 1
1 594 . 16 1 1 A 79 79 LEU HA H 79 4.033 4.047 -0.014 1
1 603 . 16 1 1 A 79 79 LEU N N 79 117.433 120.244 -2.811 1
1 604 . 16 1 1 A 80 80 ARG H H 80 7.546 7.983 -0.437 1
1 605 . 16 1 1 A 80 80 ARG HA H 80 3.960 4.087 -0.127 1
1 610 . 16 1 1 A 80 80 ARG N N 80 113.295 119.212 -5.917 1
1 611 . 16 1 1 A 81 81 ILE H H 81 7.280 7.390 -0.110 1
1 612 . 16 1 1 A 81 81 ILE HA H 81 3.987 3.773 0.214 1
1 622 . 16 1 1 A 81 81 ILE N N 81 115.559 118.831 -3.272 1
1 623 . 16 1 1 A 82 82 ARG H H 82 6.846 7.160 -0.314 1
1 624 . 16 1 1 A 82 82 ARG HA H 82 4.231 4.421 -0.190 1
1 631 . 16 1 1 A 82 82 ARG N N 82 119.695 120.867 -1.172 1
1 632 . 16 1 1 A 83 83 ASP H H 83 8.502 9.088 -0.586 1
1 633 . 16 1 1 A 83 83 ASP HA H 83 4.346 4.342 0.004 1
1 636 . 16 1 1 A 83 83 ASP N N 83 123.697 120.994 2.703 1
1 637 . 16 1 1 A 84 84 ASN H H 84 8.883 8.257 0.626 1
1 638 . 16 1 1 A 84 84 ASN HA H 84 4.822 4.696 0.126 1
1 643 . 16 1 1 A 84 84 ASN N N 84 112.236 116.198 -3.962 1
1 645 . 16 1 1 A 85 85 VAL H H 85 7.800 7.344 0.456 1
1 646 . 16 1 1 A 85 85 VAL HA H 85 4.048 4.297 -0.249 1
1 654 . 16 1 1 A 85 85 VAL N N 85 122.112 120.038 2.074 1
1 655 . 16 1 1 A 86 86 ARG H H 86 9.285 8.571 0.714 1
1 656 . 16 1 1 A 86 86 ARG HA H 86 4.432 4.310 0.122 1
1 657 . 16 1 1 A 86 86 ARG N N 86 126.445 129.025 -2.580 1
1 658 . 16 1 1 A 87 87 ARG H H 87 7.671 7.695 -0.024 1
1 659 . 16 1 1 A 87 87 ARG HA H 87 4.556 4.898 -0.342 1
1 666 . 16 1 1 A 87 87 ARG N N 87 116.855 116.460 0.395 1
1 667 . 16 1 1 A 88 88 VAL H H 88 8.904 8.511 0.393 1
1 668 . 16 1 1 A 88 88 VAL HA H 88 4.834 4.960 -0.126 1
1 676 . 16 1 1 A 88 88 VAL N N 88 123.751 121.054 2.697 1
1 677 . 16 1 1 A 89 89 MET H H 89 9.119 8.890 0.229 1
1 678 . 16 1 1 A 89 89 MET HA H 89 4.869 5.110 -0.241 1
1 683 . 16 1 1 A 89 89 MET N N 89 127.251 126.587 0.664 1
1 684 . 16 1 1 A 90 90 VAL H H 90 9.007 9.075 -0.068 1
1 685 . 16 1 1 A 90 90 VAL HA H 90 4.962 4.993 -0.031 1
1 693 . 16 1 1 A 90 90 VAL N N 90 127.769 125.806 1.963 1
1 694 . 16 1 1 A 91 91 VAL H H 91 9.195 8.881 0.314 1
1 695 . 16 1 1 A 91 91 VAL HA H 91 4.660 4.947 -0.287 1
1 703 . 16 1 1 A 91 91 VAL N N 91 126.267 124.034 2.233 1
1 704 . 16 1 1 A 92 92 LYS H H 92 8.914 8.676 0.238 1
1 705 . 16 1 1 A 92 92 LYS HA H 92 4.124 4.588 -0.464 1
1 712 . 16 1 1 A 92 92 LYS N N 92 126.996 125.333 1.663 1
1 713 . 16 1 1 A 93 93 SER H H 93 8.046 8.465 -0.419 1
1 714 . 16 1 1 A 93 93 SER HA H 93 4.396 5.240 -0.844 1
1 717 . 16 1 1 A 93 93 SER N N 93 120.732 118.492 2.240 1
1 718 . 16 1 1 A 94 94 GLN H H 94 8.806 8.929 -0.123 1
1 719 . 16 1 1 A 94 94 GLN HA H 94 4.316 5.078 -0.762 1
1 726 . 16 1 1 A 94 94 GLN N N 94 124.100 119.982 4.118 1
1 728 . 16 1 1 A 95 95 GLU H H 95 8.481 8.567 -0.086 1
1 729 . 16 1 1 A 95 95 GLU HA H 95 4.579 4.706 -0.127 1
1 734 . 16 1 1 A 95 95 GLU N N 95 124.145 123.580 0.565 1
1 735 . 16 1 1 A 96 96 PRO HA H 96 4.408 4.909 -0.501 1
1 742 . 16 1 1 A 97 97 PHE H H 97 8.234 8.863 -0.629 1
1 743 . 16 1 1 A 97 97 PHE HA H 97 4.647 4.973 -0.326 1
1 748 . 16 1 1 A 97 97 PHE N N 97 120.145 123.082 -2.937 1
1 749 . 16 1 1 A 98 98 LEU H H 98 8.115 8.822 -0.707 1
1 750 . 16 1 1 A 98 98 LEU HA H 98 4.368 4.985 -0.617 1
1 759 . 16 1 1 A 98 98 LEU N N 98 125.838 126.332 -0.494 1
1 760 . 16 1 1 A 99 99 ALA H H 99 7.765 8.629 -0.864 1
1 761 . 16 1 1 A 99 99 ALA HA H 99 4.074 4.664 -0.590 1
1 2 . 17 1 1 A 2 2 ARG H H 2 8.836 7.608 1.228 1
1 3 . 17 1 1 A 2 2 ARG HA H 2 4.715 4.886 -0.171 1
1 5 . 17 1 1 A 2 2 ARG N N 2 122.718 116.871 5.847 1
1 6 . 17 1 1 A 3 3 ARG H H 3 8.145 8.017 0.128 1
1 7 . 17 1 1 A 3 3 ARG HA H 3 5.354 5.270 0.084 1
1 11 . 17 1 1 A 3 3 ARG N N 3 121.051 120.129 0.922 1
1 12 . 17 1 1 A 4 4 TYR H H 4 9.186 8.982 0.204 1
1 13 . 17 1 1 A 4 4 TYR HA H 4 5.061 5.048 0.013 1
1 20 . 17 1 1 A 4 4 TYR N N 4 122.362 122.149 0.213 1
1 21 . 17 1 1 A 5 5 GLU H H 5 9.357 8.407 0.950 1
1 22 . 17 1 1 A 5 5 GLU HA H 5 5.006 5.004 0.002 1
1 27 . 17 1 1 A 5 5 GLU N N 5 119.338 119.195 0.143 1
1 28 . 17 1 1 A 6 6 VAL H H 6 9.387 8.952 0.435 1
1 29 . 17 1 1 A 6 6 VAL HA H 6 4.481 4.354 0.127 1
1 37 . 17 1 1 A 6 6 VAL N N 6 124.463 124.547 -0.084 1
1 38 . 17 1 1 A 7 7 ASN H H 7 9.059 8.611 0.448 1
1 39 . 17 1 1 A 7 7 ASN HA H 7 5.550 4.210 1.340 1
1 44 . 17 1 1 A 7 7 ASN N N 7 125.802 126.649 -0.847 1
1 46 . 17 1 1 A 8 8 ILE H H 8 9.108 8.606 0.502 1
1 47 . 17 1 1 A 8 8 ILE HA H 8 4.851 4.757 0.094 1
1 57 . 17 1 1 A 8 8 ILE N N 8 125.010 126.579 -1.569 1
1 58 . 17 1 1 A 9 9 VAL H H 9 8.669 8.604 0.065 1
1 59 . 17 1 1 A 9 9 VAL HA H 9 4.518 5.206 -0.688 1
1 67 . 17 1 1 A 9 9 VAL N N 9 125.755 128.733 -2.978 1
1 68 . 17 1 1 A 10 10 LEU H H 10 9.855 9.220 0.635 1
1 69 . 17 1 1 A 10 10 LEU HA H 10 5.341 5.027 0.314 1
1 79 . 17 1 1 A 10 10 LEU N N 10 127.024 129.977 -2.953 1
1 80 . 17 1 1 A 11 11 ASN H H 11 8.316 8.659 -0.343 1
1 85 . 17 1 1 A 11 11 ASN N N 11 118.911 119.545 -0.634 1
1 87 . 17 1 1 A 12 12 PRO HA H 12 4.471 4.766 -0.295 1
1 90 . 17 1 1 A 13 13 ASN H H 13 8.316 8.339 -0.023 1
1 91 . 17 1 1 A 13 13 ASN HA H 13 4.813 4.971 -0.158 1
1 96 . 17 1 1 A 13 13 ASN N N 13 118.703 119.140 -0.437 1
1 98 . 17 1 1 A 14 14 LEU H H 14 7.181 7.564 -0.383 1
1 99 . 17 1 1 A 14 14 LEU HA H 14 4.382 5.050 -0.668 1
1 109 . 17 1 1 A 14 14 LEU N N 14 118.890 116.793 2.097 1
1 110 . 17 1 1 A 15 15 ASP H H 15 8.671 8.605 0.066 1
1 111 . 17 1 1 A 15 15 ASP HA H 15 4.704 4.913 -0.209 1
1 114 . 17 1 1 A 15 15 ASP N N 15 122.145 120.086 2.059 1
1 115 . 17 1 1 A 16 16 GLN H H 16 8.549 8.617 -0.068 1
1 116 . 17 1 1 A 16 16 GLN HA H 16 3.939 3.918 0.021 1
1 123 . 17 1 1 A 16 16 GLN N N 16 116.429 118.760 -2.331 1
1 125 . 17 1 1 A 17 17 SER H H 17 8.352 8.035 0.317 1
1 126 . 17 1 1 A 17 17 SER HA H 17 4.316 4.159 0.157 1
1 129 . 17 1 1 A 17 17 SER N N 17 117.102 114.252 2.850 1
1 130 . 17 1 1 A 18 18 GLN H H 18 8.683 7.790 0.893 1
1 131 . 17 1 1 A 18 18 GLN HA H 18 4.065 4.087 -0.022 1
1 138 . 17 1 1 A 18 18 GLN N N 18 124.500 121.765 2.735 1
1 140 . 17 1 1 A 19 19 LEU H H 19 8.792 8.614 0.178 1
1 141 . 17 1 1 A 19 19 LEU HA H 19 3.793 4.035 -0.242 1
1 148 . 17 1 1 A 19 19 LEU N N 19 121.821 122.050 -0.229 1
1 149 . 17 1 1 A 20 20 ALA H H 20 7.823 8.547 -0.724 1
1 150 . 17 1 1 A 20 20 ALA HA H 20 4.014 4.003 0.011 1
1 154 . 17 1 1 A 20 20 ALA N N 20 120.183 120.372 -0.189 1
1 155 . 17 1 1 A 21 21 LEU H H 21 7.569 7.679 -0.110 1
1 156 . 17 1 1 A 21 21 LEU HA H 21 4.255 3.919 0.336 1
1 166 . 17 1 1 A 21 21 LEU N N 21 119.682 117.078 2.604 1
1 167 . 17 1 1 A 22 22 GLU H H 22 8.076 8.161 -0.085 1
1 168 . 17 1 1 A 22 22 GLU HA H 22 4.146 3.992 0.154 1
1 173 . 17 1 1 A 22 22 GLU N N 22 117.135 118.837 -1.702 1
1 174 . 17 1 1 A 23 23 LYS H H 23 8.400 7.495 0.905 1
1 175 . 17 1 1 A 23 23 LYS HA H 23 3.940 4.074 -0.134 1
1 182 . 17 1 1 A 23 23 LYS N N 23 117.328 119.893 -2.565 1
1 183 . 17 1 1 A 24 24 GLU H H 24 8.002 7.656 0.346 1
1 184 . 17 1 1 A 24 24 GLU HA H 24 4.134 4.109 0.025 1
1 189 . 17 1 1 A 24 24 GLU N N 24 121.932 119.433 2.499 1
1 190 . 17 1 1 A 25 25 ILE H H 25 8.124 7.792 0.332 1
1 191 . 17 1 1 A 25 25 ILE HA H 25 3.628 3.691 -0.063 1
1 201 . 17 1 1 A 25 25 ILE N N 25 121.791 120.549 1.242 1
1 202 . 17 1 1 A 26 26 ILE H H 26 8.311 8.535 -0.224 1
1 203 . 17 1 1 A 26 26 ILE HA H 26 3.421 3.473 -0.052 1
1 211 . 17 1 1 A 26 26 ILE N N 26 122.094 121.242 0.852 1
1 212 . 17 1 1 A 27 27 GLN H H 27 8.169 7.853 0.316 1
1 213 . 17 1 1 A 27 27 GLN HA H 27 3.769 3.939 -0.170 1
1 220 . 17 1 1 A 27 27 GLN N N 27 118.606 120.002 -1.396 1
1 222 . 17 1 1 A 28 28 ARG H H 28 8.146 7.371 0.775 1
1 223 . 17 1 1 A 28 28 ARG HA H 28 4.125 4.028 0.097 1
1 230 . 17 1 1 A 28 28 ARG N N 28 118.685 118.668 0.017 1
1 231 . 17 1 1 A 29 29 ALA H H 29 8.176 7.533 0.643 1
1 232 . 17 1 1 A 29 29 ALA HA H 29 4.318 4.100 0.218 1
1 236 . 17 1 1 A 29 29 ALA N N 29 123.579 121.694 1.885 1
1 237 . 17 1 1 A 30 30 LEU H H 30 8.415 7.797 0.618 1
1 238 . 17 1 1 A 30 30 LEU HA H 30 3.774 3.861 -0.087 1
1 248 . 17 1 1 A 30 30 LEU N N 30 116.873 118.974 -2.101 1
1 249 . 17 1 1 A 31 31 GLU H H 31 7.865 7.989 -0.124 1
1 250 . 17 1 1 A 31 31 GLU HA H 31 4.172 3.992 0.180 1
1 255 . 17 1 1 A 31 31 GLU N N 31 117.422 118.698 -1.276 1
1 256 . 17 1 1 A 32 32 ASN H H 32 8.715 8.036 0.679 1
1 257 . 17 1 1 A 32 32 ASN HA H 32 4.434 4.467 -0.033 1
1 262 . 17 1 1 A 32 32 ASN N N 32 120.768 118.410 2.358 1
1 264 . 17 1 1 A 33 33 TYR H H 33 7.882 7.429 0.453 1
1 265 . 17 1 1 A 33 33 TYR HA H 33 4.321 4.581 -0.260 1
1 272 . 17 1 1 A 33 33 TYR N N 33 117.207 117.639 -0.432 1
1 273 . 17 1 1 A 34 34 GLY H H 34 7.668 8.423 -0.755 1
1 274 . 17 1 1 A 34 34 GLY HA2 H 34 3.796 3.947 -0.151 1
1 275 . 17 1 1 A 34 34 GLY HA3 H 34 4.037 3.961 0.076 1
1 276 . 17 1 1 A 34 34 GLY N N 34 104.268 108.238 -3.970 1
1 277 . 17 1 1 A 35 35 ALA H H 35 8.373 7.998 0.375 1
1 278 . 17 1 1 A 35 35 ALA HA H 35 4.955 4.561 0.394 1
1 282 . 17 1 1 A 35 35 ALA N N 35 120.534 122.882 -2.348 1
1 283 . 17 1 1 A 36 36 ARG H H 36 9.073 8.892 0.181 1
1 284 . 17 1 1 A 36 36 ARG HA H 36 4.582 4.896 -0.314 1
1 289 . 17 1 1 A 36 36 ARG N N 36 123.245 122.738 0.507 1
1 290 . 17 1 1 A 37 37 VAL H H 37 9.105 8.731 0.374 1
1 291 . 17 1 1 A 37 37 VAL HA H 37 4.011 4.230 -0.219 1
1 299 . 17 1 1 A 37 37 VAL N N 37 126.869 124.392 2.477 1
1 300 . 17 1 1 A 38 38 GLU H H 38 9.217 9.250 -0.033 1
1 301 . 17 1 1 A 38 38 GLU HA H 38 4.395 4.395 0.000 1
1 306 . 17 1 1 A 38 38 GLU N N 38 129.074 127.602 1.472 1
1 307 . 17 1 1 A 39 39 LYS H H 39 7.822 7.684 0.138 1
1 308 . 17 1 1 A 39 39 LYS HA H 39 4.672 4.967 -0.295 1
1 315 . 17 1 1 A 39 39 LYS N N 39 116.882 118.048 -1.166 1
1 316 . 17 1 1 A 40 40 VAL H H 40 8.412 8.964 -0.552 1
1 317 . 17 1 1 A 40 40 VAL HA H 40 4.892 5.088 -0.196 1
1 325 . 17 1 1 A 40 40 VAL N N 40 121.731 122.183 -0.452 1
1 326 . 17 1 1 A 41 41 GLU H H 41 9.523 9.116 0.407 1
1 327 . 17 1 1 A 41 41 GLU HA H 41 4.688 4.976 -0.288 1
1 332 . 17 1 1 A 41 41 GLU N N 41 126.064 130.462 -4.398 1
1 333 . 17 1 1 A 42 42 GLU H H 42 9.049 8.839 0.210 1
1 334 . 17 1 1 A 42 42 GLU HA H 42 4.658 4.829 -0.171 1
1 339 . 17 1 1 A 42 42 GLU N N 42 126.962 125.975 0.987 1
1 340 . 17 1 1 A 43 43 LEU H H 43 7.887 8.961 -1.074 1
1 341 . 17 1 1 A 43 43 LEU HA H 43 4.252 4.381 -0.129 1
1 351 . 17 1 1 A 43 43 LEU N N 43 126.929 122.147 4.782 1
1 352 . 17 1 1 A 44 44 GLY H H 44 7.839 7.541 0.298 1
1 353 . 17 1 1 A 44 44 GLY HA2 H 44 2.380 4.117 -1.737 1
1 354 . 17 1 1 A 44 44 GLY HA3 H 44 3.940 4.146 -0.206 1
1 355 . 17 1 1 A 44 44 GLY N N 44 105.145 107.987 -2.842 1
1 356 . 17 1 1 A 45 45 LEU H H 45 8.579 8.621 -0.042 1
1 357 . 17 1 1 A 45 45 LEU HA H 45 4.906 4.274 0.632 1
1 367 . 17 1 1 A 45 45 LEU N N 45 122.487 121.968 0.519 1
1 368 . 17 1 1 A 46 46 ARG H H 46 8.899 8.717 0.182 1
1 369 . 17 1 1 A 46 46 ARG HA H 46 4.584 4.578 0.006 1
1 374 . 17 1 1 A 46 46 ARG N N 46 123.175 126.289 -3.114 1
1 375 . 17 1 1 A 47 47 ARG H H 47 8.330 8.479 -0.149 1
1 376 . 17 1 1 A 47 47 ARG HA H 47 4.429 4.629 -0.200 1
1 381 . 17 1 1 A 47 47 ARG N N 47 120.447 127.008 -6.561 1
1 382 . 17 1 1 A 48 48 LEU H H 48 8.348 8.496 -0.148 1
1 383 . 17 1 1 A 48 48 LEU HA H 48 4.458 4.480 -0.022 1
1 393 . 17 1 1 A 48 48 LEU N N 48 124.979 121.014 3.965 1
1 394 . 17 1 1 A 49 49 ALA H H 49 7.975 8.416 -0.441 1
1 395 . 17 1 1 A 49 49 ALA HA H 49 4.176 4.418 -0.242 1
1 399 . 17 1 1 A 49 49 ALA N N 49 130.824 122.661 8.163 1
1 400 . 17 1 1 A 50 50 TYR H H 50 8.587 8.538 0.049 1
1 401 . 17 1 1 A 50 50 TYR HA H 50 4.656 4.402 0.254 1
1 404 . 17 1 1 A 50 50 TYR N N 50 122.514 118.614 3.900 1
1 405 . 17 1 1 A 51 51 PRO HA H 51 4.554 4.426 0.128 1
1 406 . 17 1 1 A 52 52 ILE H H 52 8.262 8.528 -0.266 1
1 407 . 17 1 1 A 52 52 ILE HA H 52 4.182 4.447 -0.265 1
1 414 . 17 1 1 A 52 52 ILE N N 52 121.932 122.936 -1.004 1
1 415 . 17 1 1 A 53 53 ALA H H 53 8.420 8.527 -0.107 1
1 416 . 17 1 1 A 53 53 ALA HA H 53 4.359 3.851 0.508 1
1 420 . 17 1 1 A 53 53 ALA N N 53 128.607 128.813 -0.206 1
1 421 . 17 1 1 A 54 54 LYS H H 54 8.338 8.349 -0.011 1
1 422 . 17 1 1 A 54 54 LYS HA H 54 4.320 4.579 -0.259 1
1 427 . 17 1 1 A 54 54 LYS N N 54 120.865 117.788 3.077 1
1 428 . 17 1 1 A 55 55 ASP H H 55 8.242 8.776 -0.534 1
1 431 . 17 1 1 A 55 55 ASP N N 55 121.940 124.589 -2.649 1
1 432 . 17 1 1 A 56 56 PRO HA H 56 4.541 4.711 -0.170 1
1 433 . 17 1 1 A 57 57 GLN H H 57 8.346 8.236 0.110 1
1 434 . 17 1 1 A 57 57 GLN HA H 57 5.113 4.465 0.648 1
1 441 . 17 1 1 A 57 57 GLN N N 57 119.306 118.089 1.217 1
1 443 . 17 1 1 A 58 58 GLY H H 58 8.724 7.956 0.768 1
1 444 . 17 1 1 A 58 58 GLY HA2 H 58 3.594 4.027 -0.433 1
1 445 . 17 1 1 A 58 58 GLY HA3 H 58 4.313 4.154 0.159 1
1 446 . 17 1 1 A 58 58 GLY N N 58 103.688 107.171 -3.483 1
1 447 . 17 1 1 A 59 59 TYR H H 59 8.941 8.626 0.315 1
1 448 . 17 1 1 A 59 59 TYR HA H 59 4.741 5.349 -0.608 1
1 453 . 17 1 1 A 59 59 TYR N N 59 123.537 119.712 3.825 1
1 454 . 17 1 1 A 60 60 PHE H H 60 9.215 9.086 0.129 1
1 455 . 17 1 1 A 60 60 PHE HA H 60 5.054 5.472 -0.418 1
1 460 . 17 1 1 A 60 60 PHE N N 60 130.526 123.806 6.720 1
1 461 . 17 1 1 A 61 61 LEU H H 61 9.388 8.760 0.628 1
1 462 . 17 1 1 A 61 61 LEU HA H 61 5.047 5.296 -0.249 1
1 472 . 17 1 1 A 61 61 LEU N N 61 123.595 127.721 -4.126 1
1 473 . 17 1 1 A 62 62 TRP H H 62 8.752 7.992 0.760 1
1 474 . 17 1 1 A 62 62 TRP HA H 62 5.554 5.505 0.049 1
1 481 . 17 1 1 A 62 62 TRP N N 62 125.081 125.043 0.038 1
1 483 . 17 1 1 A 63 63 TYR H H 63 8.592 8.899 -0.307 1
1 484 . 17 1 1 A 63 63 TYR HA H 63 4.972 5.263 -0.291 1
1 491 . 17 1 1 A 63 63 TYR N N 63 123.346 126.882 -3.536 1
1 492 . 17 1 1 A 64 64 GLN H H 64 8.604 9.173 -0.569 1
1 493 . 17 1 1 A 64 64 GLN HA H 64 4.866 4.606 0.260 1
1 500 . 17 1 1 A 64 64 GLN N N 64 123.079 121.643 1.436 1
1 502 . 17 1 1 A 65 65 VAL H H 65 9.204 8.950 0.254 1
1 503 . 17 1 1 A 65 65 VAL HA H 65 5.672 5.006 0.666 1
1 511 . 17 1 1 A 65 65 VAL N N 65 119.156 117.930 1.226 1
1 512 . 17 1 1 A 66 66 GLU H H 66 8.635 8.876 -0.241 1
1 513 . 17 1 1 A 66 66 GLU HA H 66 5.333 4.970 0.363 1
1 518 . 17 1 1 A 66 66 GLU N N 66 121.502 122.695 -1.193 1
1 519 . 17 1 1 A 67 67 MET H H 67 9.480 8.162 1.318 1
1 520 . 17 1 1 A 67 67 MET N N 67 122.258 125.017 -2.759 1
1 521 . 17 1 1 A 68 68 PRO HA H 68 4.562 4.627 -0.065 1
1 522 . 17 1 1 A 69 69 GLU H H 69 10.059 8.685 1.374 1
1 523 . 17 1 1 A 69 69 GLU HA H 69 4.442 3.849 0.593 1
1 528 . 17 1 1 A 69 69 GLU N N 69 126.845 121.898 4.947 1
1 529 . 17 1 1 A 70 70 ASP H H 70 8.763 8.345 0.418 1
1 530 . 17 1 1 A 70 70 ASP HA H 70 4.568 4.473 0.095 1
1 533 . 17 1 1 A 70 70 ASP N N 70 115.710 118.698 -2.988 1
1 534 . 17 1 1 A 71 71 ARG H H 71 7.679 7.885 -0.206 1
1 535 . 17 1 1 A 71 71 ARG HA H 71 4.853 4.226 0.627 1
1 536 . 17 1 1 A 71 71 ARG N N 71 116.513 118.590 -2.077 1
1 537 . 17 1 1 A 72 72 VAL H H 72 6.949 7.279 -0.330 1
1 538 . 17 1 1 A 72 72 VAL HA H 72 3.287 3.734 -0.447 1
1 546 . 17 1 1 A 72 72 VAL N N 72 119.962 119.832 0.130 1
1 547 . 17 1 1 A 73 73 ASN H H 73 8.292 8.173 0.119 1
1 548 . 17 1 1 A 73 73 ASN HA H 73 4.378 4.395 -0.017 1
1 553 . 17 1 1 A 73 73 ASN N N 73 117.910 119.342 -1.432 1
1 555 . 17 1 1 A 74 74 ASP H H 74 7.985 8.208 -0.223 1
1 556 . 17 1 1 A 74 74 ASP HA H 74 4.325 4.364 -0.039 1
1 559 . 17 1 1 A 74 74 ASP N N 74 121.962 119.587 2.375 1
1 560 . 17 1 1 A 75 75 LEU H H 75 7.519 7.988 -0.469 1
1 561 . 17 1 1 A 75 75 LEU HA H 75 3.060 4.041 -0.981 1
1 570 . 17 1 1 A 75 75 LEU N N 75 122.206 120.778 1.428 1
1 571 . 17 1 1 A 76 76 ALA H H 76 7.936 8.175 -0.239 1
1 572 . 17 1 1 A 76 76 ALA HA H 76 3.582 3.914 -0.332 1
1 576 . 17 1 1 A 76 76 ALA N N 76 119.529 121.193 -1.664 1
1 577 . 17 1 1 A 77 77 ARG H H 77 7.619 8.073 -0.454 1
1 578 . 17 1 1 A 77 77 ARG HA H 77 3.852 4.071 -0.219 1
1 585 . 17 1 1 A 77 77 ARG N N 77 115.626 117.656 -2.030 1
1 586 . 17 1 1 A 78 78 GLU H H 78 7.739 7.569 0.170 1
1 587 . 17 1 1 A 78 78 GLU HA H 78 4.000 4.033 -0.033 1
1 592 . 17 1 1 A 78 78 GLU N N 78 119.427 120.090 -0.663 1
1 593 . 17 1 1 A 79 79 LEU H H 79 8.183 7.954 0.229 1
1 594 . 17 1 1 A 79 79 LEU HA H 79 4.033 3.957 0.076 1
1 603 . 17 1 1 A 79 79 LEU N N 79 117.433 120.274 -2.841 1
1 604 . 17 1 1 A 80 80 ARG H H 80 7.546 8.498 -0.952 1
1 605 . 17 1 1 A 80 80 ARG HA H 80 3.960 4.080 -0.120 1
1 610 . 17 1 1 A 80 80 ARG N N 80 113.295 117.763 -4.468 1
1 611 . 17 1 1 A 81 81 ILE H H 81 7.280 7.608 -0.328 1
1 612 . 17 1 1 A 81 81 ILE HA H 81 3.987 4.099 -0.112 1
1 622 . 17 1 1 A 81 81 ILE N N 81 115.559 117.692 -2.133 1
1 623 . 17 1 1 A 82 82 ARG H H 82 6.846 7.455 -0.609 1
1 624 . 17 1 1 A 82 82 ARG HA H 82 4.231 4.210 0.021 1
1 631 . 17 1 1 A 82 82 ARG N N 82 119.695 123.407 -3.712 1
1 632 . 17 1 1 A 83 83 ASP H H 83 8.502 9.002 -0.500 1
1 633 . 17 1 1 A 83 83 ASP HA H 83 4.346 4.260 0.086 1
1 636 . 17 1 1 A 83 83 ASP N N 83 123.697 126.225 -2.528 1
1 637 . 17 1 1 A 84 84 ASN H H 84 8.883 8.105 0.778 1
1 638 . 17 1 1 A 84 84 ASN HA H 84 4.822 4.637 0.185 1
1 643 . 17 1 1 A 84 84 ASN N N 84 112.236 116.597 -4.361 1
1 645 . 17 1 1 A 85 85 VAL H H 85 7.800 7.785 0.015 1
1 646 . 17 1 1 A 85 85 VAL HA H 85 4.048 4.207 -0.159 1
1 654 . 17 1 1 A 85 85 VAL N N 85 122.112 118.749 3.363 1
1 655 . 17 1 1 A 86 86 ARG H H 86 9.285 8.565 0.720 1
1 656 . 17 1 1 A 86 86 ARG HA H 86 4.432 4.468 -0.036 1
1 657 . 17 1 1 A 86 86 ARG N N 86 126.445 128.332 -1.887 1
1 658 . 17 1 1 A 87 87 ARG H H 87 7.671 7.675 -0.004 1
1 659 . 17 1 1 A 87 87 ARG HA H 87 4.556 4.668 -0.112 1
1 666 . 17 1 1 A 87 87 ARG N N 87 116.855 118.198 -1.343 1
1 667 . 17 1 1 A 88 88 VAL H H 88 8.904 8.679 0.225 1
1 668 . 17 1 1 A 88 88 VAL HA H 88 4.834 5.050 -0.216 1
1 676 . 17 1 1 A 88 88 VAL N N 88 123.751 118.668 5.083 1
1 677 . 17 1 1 A 89 89 MET H H 89 9.119 8.772 0.347 1
1 678 . 17 1 1 A 89 89 MET HA H 89 4.869 5.067 -0.198 1
1 683 . 17 1 1 A 89 89 MET N N 89 127.251 126.913 0.338 1
1 684 . 17 1 1 A 90 90 VAL H H 90 9.007 8.791 0.216 1
1 685 . 17 1 1 A 90 90 VAL HA H 90 4.962 4.700 0.262 1
1 693 . 17 1 1 A 90 90 VAL N N 90 127.769 127.099 0.670 1
1 694 . 17 1 1 A 91 91 VAL H H 91 9.195 8.732 0.463 1
1 695 . 17 1 1 A 91 91 VAL HA H 91 4.660 4.817 -0.157 1
1 703 . 17 1 1 A 91 91 VAL N N 91 126.267 129.038 -2.771 1
1 704 . 17 1 1 A 92 92 LYS H H 92 8.914 8.438 0.476 1
1 705 . 17 1 1 A 92 92 LYS HA H 92 4.124 4.878 -0.754 1
1 712 . 17 1 1 A 92 92 LYS N N 92 126.996 125.094 1.902 1
1 713 . 17 1 1 A 93 93 SER H H 93 8.046 8.635 -0.589 1
1 714 . 17 1 1 A 93 93 SER HA H 93 4.396 4.914 -0.518 1
1 717 . 17 1 1 A 93 93 SER N N 93 120.732 114.983 5.749 1
1 718 . 17 1 1 A 94 94 GLN H H 94 8.806 8.478 0.328 1
1 719 . 17 1 1 A 94 94 GLN HA H 94 4.316 4.293 0.023 1
1 726 . 17 1 1 A 94 94 GLN N N 94 124.100 119.355 4.745 1
1 728 . 17 1 1 A 95 95 GLU H H 95 8.481 8.539 -0.058 1
1 729 . 17 1 1 A 95 95 GLU HA H 95 4.579 4.497 0.082 1
1 734 . 17 1 1 A 95 95 GLU N N 95 124.145 121.757 2.388 1
1 735 . 17 1 1 A 96 96 PRO HA H 96 4.408 4.642 -0.234 1
1 742 . 17 1 1 A 97 97 PHE H H 97 8.234 8.589 -0.355 1
1 743 . 17 1 1 A 97 97 PHE HA H 97 4.647 4.628 0.019 1
1 748 . 17 1 1 A 97 97 PHE N N 97 120.145 121.424 -1.279 1
1 749 . 17 1 1 A 98 98 LEU H H 98 8.115 8.450 -0.335 1
1 750 . 17 1 1 A 98 98 LEU HA H 98 4.368 3.982 0.386 1
1 759 . 17 1 1 A 98 98 LEU N N 98 125.838 120.161 5.677 1
1 760 . 17 1 1 A 99 99 ALA H H 99 7.765 8.316 -0.551 1
1 761 . 17 1 1 A 99 99 ALA HA H 99 4.074 4.569 -0.495 1
1 2 . 18 1 1 A 2 2 ARG H H 2 8.836 7.575 1.261 1
1 3 . 18 1 1 A 2 2 ARG HA H 2 4.715 4.649 0.066 1
1 5 . 18 1 1 A 2 2 ARG N N 2 122.718 117.386 5.332 1
1 6 . 18 1 1 A 3 3 ARG H H 3 8.145 8.061 0.084 1
1 7 . 18 1 1 A 3 3 ARG HA H 3 5.354 5.025 0.329 1
1 11 . 18 1 1 A 3 3 ARG N N 3 121.051 120.234 0.817 1
1 12 . 18 1 1 A 4 4 TYR H H 4 9.186 9.188 -0.002 1
1 13 . 18 1 1 A 4 4 TYR HA H 4 5.061 5.178 -0.117 1
1 20 . 18 1 1 A 4 4 TYR N N 4 122.362 122.930 -0.568 1
1 21 . 18 1 1 A 5 5 GLU H H 5 9.357 8.709 0.648 1
1 22 . 18 1 1 A 5 5 GLU HA H 5 5.006 5.732 -0.726 1
1 27 . 18 1 1 A 5 5 GLU N N 5 119.338 121.356 -2.018 1
1 28 . 18 1 1 A 6 6 VAL H H 6 9.387 9.243 0.144 1
1 29 . 18 1 1 A 6 6 VAL HA H 6 4.481 4.529 -0.048 1
1 37 . 18 1 1 A 6 6 VAL N N 6 124.463 124.857 -0.394 1
1 38 . 18 1 1 A 7 7 ASN H H 7 9.059 8.736 0.323 1
1 39 . 18 1 1 A 7 7 ASN HA H 7 5.550 5.016 0.534 1
1 44 . 18 1 1 A 7 7 ASN N N 7 125.802 126.973 -1.171 1
1 46 . 18 1 1 A 8 8 ILE H H 8 9.108 8.846 0.262 1
1 47 . 18 1 1 A 8 8 ILE HA H 8 4.851 4.796 0.055 1
1 57 . 18 1 1 A 8 8 ILE N N 8 125.010 126.337 -1.327 1
1 58 . 18 1 1 A 9 9 VAL H H 9 8.669 9.021 -0.352 1
1 59 . 18 1 1 A 9 9 VAL HA H 9 4.518 4.966 -0.448 1
1 67 . 18 1 1 A 9 9 VAL N N 9 125.755 128.351 -2.596 1
1 68 . 18 1 1 A 10 10 LEU H H 10 9.855 9.002 0.853 1
1 69 . 18 1 1 A 10 10 LEU HA H 10 5.341 5.381 -0.040 1
1 79 . 18 1 1 A 10 10 LEU N N 10 127.024 124.924 2.100 1
1 80 . 18 1 1 A 11 11 ASN H H 11 8.316 8.728 -0.412 1
1 85 . 18 1 1 A 11 11 ASN N N 11 118.911 117.017 1.894 1
1 87 . 18 1 1 A 12 12 PRO HA H 12 4.471 4.793 -0.322 1
1 90 . 18 1 1 A 13 13 ASN H H 13 8.316 8.342 -0.026 1
1 91 . 18 1 1 A 13 13 ASN HA H 13 4.813 4.597 0.216 1
1 96 . 18 1 1 A 13 13 ASN N N 13 118.703 119.543 -0.840 1
1 98 . 18 1 1 A 14 14 LEU H H 14 7.181 7.838 -0.657 1
1 99 . 18 1 1 A 14 14 LEU HA H 14 4.382 4.155 0.227 1
1 109 . 18 1 1 A 14 14 LEU N N 14 118.890 120.053 -1.163 1
1 110 . 18 1 1 A 15 15 ASP H H 15 8.671 8.580 0.091 1
1 111 . 18 1 1 A 15 15 ASP HA H 15 4.704 4.866 -0.162 1
1 114 . 18 1 1 A 15 15 ASP N N 15 122.145 121.274 0.871 1
1 115 . 18 1 1 A 16 16 GLN H H 16 8.549 8.797 -0.248 1
1 116 . 18 1 1 A 16 16 GLN HA H 16 3.939 3.950 -0.011 1
1 123 . 18 1 1 A 16 16 GLN N N 16 116.429 120.068 -3.639 1
1 125 . 18 1 1 A 17 17 SER H H 17 8.352 8.028 0.324 1
1 126 . 18 1 1 A 17 17 SER HA H 17 4.316 4.143 0.173 1
1 129 . 18 1 1 A 17 17 SER N N 17 117.102 114.743 2.359 1
1 130 . 18 1 1 A 18 18 GLN H H 18 8.683 7.588 1.095 1
1 131 . 18 1 1 A 18 18 GLN HA H 18 4.065 4.073 -0.008 1
1 138 . 18 1 1 A 18 18 GLN N N 18 124.500 121.569 2.931 1
1 140 . 18 1 1 A 19 19 LEU H H 19 8.792 8.159 0.633 1
1 141 . 18 1 1 A 19 19 LEU HA H 19 3.793 4.089 -0.296 1
1 148 . 18 1 1 A 19 19 LEU N N 19 121.821 121.781 0.040 1
1 149 . 18 1 1 A 20 20 ALA H H 20 7.823 8.728 -0.905 1
1 150 . 18 1 1 A 20 20 ALA HA H 20 4.014 4.014 0.000 1
1 154 . 18 1 1 A 20 20 ALA N N 20 120.183 120.740 -0.557 1
1 155 . 18 1 1 A 21 21 LEU H H 21 7.569 7.449 0.120 1
1 156 . 18 1 1 A 21 21 LEU HA H 21 4.255 3.914 0.341 1
1 166 . 18 1 1 A 21 21 LEU N N 21 119.682 117.270 2.412 1
1 167 . 18 1 1 A 22 22 GLU H H 22 8.076 8.443 -0.367 1
1 168 . 18 1 1 A 22 22 GLU HA H 22 4.146 4.068 0.078 1
1 173 . 18 1 1 A 22 22 GLU N N 22 117.135 122.008 -4.873 1
1 174 . 18 1 1 A 23 23 LYS H H 23 8.400 7.626 0.774 1
1 175 . 18 1 1 A 23 23 LYS HA H 23 3.940 3.973 -0.033 1
1 182 . 18 1 1 A 23 23 LYS N N 23 117.328 119.935 -2.607 1
1 183 . 18 1 1 A 24 24 GLU H H 24 8.002 7.904 0.098 1
1 184 . 18 1 1 A 24 24 GLU HA H 24 4.134 4.143 -0.009 1
1 189 . 18 1 1 A 24 24 GLU N N 24 121.932 118.585 3.347 1
1 190 . 18 1 1 A 25 25 ILE H H 25 8.124 7.560 0.564 1
1 191 . 18 1 1 A 25 25 ILE HA H 25 3.628 3.814 -0.186 1
1 201 . 18 1 1 A 25 25 ILE N N 25 121.791 119.635 2.156 1
1 202 . 18 1 1 A 26 26 ILE H H 26 8.311 8.046 0.265 1
1 203 . 18 1 1 A 26 26 ILE HA H 26 3.421 3.432 -0.011 1
1 211 . 18 1 1 A 26 26 ILE N N 26 122.094 122.520 -0.426 1
1 212 . 18 1 1 A 27 27 GLN H H 27 8.169 8.056 0.113 1
1 213 . 18 1 1 A 27 27 GLN HA H 27 3.769 3.863 -0.094 1
1 220 . 18 1 1 A 27 27 GLN N N 27 118.606 117.991 0.615 1
1 222 . 18 1 1 A 28 28 ARG H H 28 8.146 7.634 0.512 1
1 223 . 18 1 1 A 28 28 ARG HA H 28 4.125 4.019 0.106 1
1 230 . 18 1 1 A 28 28 ARG N N 28 118.685 118.715 -0.030 1
1 231 . 18 1 1 A 29 29 ALA H H 29 8.176 8.217 -0.041 1
1 232 . 18 1 1 A 29 29 ALA HA H 29 4.318 4.014 0.304 1
1 236 . 18 1 1 A 29 29 ALA N N 29 123.579 121.995 1.584 1
1 237 . 18 1 1 A 30 30 LEU H H 30 8.415 8.207 0.208 1
1 238 . 18 1 1 A 30 30 LEU HA H 30 3.774 3.913 -0.139 1
1 248 . 18 1 1 A 30 30 LEU N N 30 116.873 117.257 -0.384 1
1 249 . 18 1 1 A 31 31 GLU H H 31 7.865 7.888 -0.023 1
1 250 . 18 1 1 A 31 31 GLU HA H 31 4.172 3.990 0.182 1
1 255 . 18 1 1 A 31 31 GLU N N 31 117.422 119.545 -2.123 1
1 256 . 18 1 1 A 32 32 ASN H H 32 8.715 8.276 0.439 1
1 257 . 18 1 1 A 32 32 ASN HA H 32 4.434 4.442 -0.008 1
1 262 . 18 1 1 A 32 32 ASN N N 32 120.768 118.289 2.479 1
1 264 . 18 1 1 A 33 33 TYR H H 33 7.882 7.309 0.573 1
1 265 . 18 1 1 A 33 33 TYR HA H 33 4.321 4.550 -0.229 1
1 272 . 18 1 1 A 33 33 TYR N N 33 117.207 117.721 -0.514 1
1 273 . 18 1 1 A 34 34 GLY H H 34 7.668 8.785 -1.117 1
1 274 . 18 1 1 A 34 34 GLY HA2 H 34 3.796 3.956 -0.160 1
1 275 . 18 1 1 A 34 34 GLY HA3 H 34 4.037 3.969 0.068 1
1 276 . 18 1 1 A 34 34 GLY N N 34 104.268 108.254 -3.986 1
1 277 . 18 1 1 A 35 35 ALA H H 35 8.373 7.674 0.699 1
1 278 . 18 1 1 A 35 35 ALA HA H 35 4.955 4.474 0.481 1
1 282 . 18 1 1 A 35 35 ALA N N 35 120.534 123.269 -2.735 1
1 283 . 18 1 1 A 36 36 ARG H H 36 9.073 8.951 0.122 1
1 284 . 18 1 1 A 36 36 ARG HA H 36 4.582 4.927 -0.345 1
1 289 . 18 1 1 A 36 36 ARG N N 36 123.245 122.837 0.408 1
1 290 . 18 1 1 A 37 37 VAL H H 37 9.105 8.711 0.394 1
1 291 . 18 1 1 A 37 37 VAL HA H 37 4.011 4.267 -0.256 1
1 299 . 18 1 1 A 37 37 VAL N N 37 126.869 124.229 2.640 1
1 300 . 18 1 1 A 38 38 GLU H H 38 9.217 9.377 -0.160 1
1 301 . 18 1 1 A 38 38 GLU HA H 38 4.395 4.326 0.069 1
1 306 . 18 1 1 A 38 38 GLU N N 38 129.074 128.936 0.138 1
1 307 . 18 1 1 A 39 39 LYS H H 39 7.822 7.504 0.318 1
1 308 . 18 1 1 A 39 39 LYS HA H 39 4.672 4.648 0.024 1
1 315 . 18 1 1 A 39 39 LYS N N 39 116.882 118.277 -1.395 1
1 316 . 18 1 1 A 40 40 VAL H H 40 8.412 8.741 -0.329 1
1 317 . 18 1 1 A 40 40 VAL HA H 40 4.892 4.544 0.348 1
1 325 . 18 1 1 A 40 40 VAL N N 40 121.731 122.051 -0.320 1
1 326 . 18 1 1 A 41 41 GLU H H 41 9.523 8.152 1.371 1
1 327 . 18 1 1 A 41 41 GLU HA H 41 4.688 4.856 -0.168 1
1 332 . 18 1 1 A 41 41 GLU N N 41 126.064 129.153 -3.089 1
1 333 . 18 1 1 A 42 42 GLU H H 42 9.049 8.651 0.398 1
1 334 . 18 1 1 A 42 42 GLU HA H 42 4.658 4.469 0.189 1
1 339 . 18 1 1 A 42 42 GLU N N 42 126.962 125.301 1.661 1
1 340 . 18 1 1 A 43 43 LEU H H 43 7.887 8.974 -1.087 1
1 341 . 18 1 1 A 43 43 LEU HA H 43 4.252 4.494 -0.242 1
1 351 . 18 1 1 A 43 43 LEU N N 43 126.929 122.187 4.742 1
1 352 . 18 1 1 A 44 44 GLY H H 44 7.839 7.553 0.286 1
1 353 . 18 1 1 A 44 44 GLY HA2 H 44 2.380 4.080 -1.700 1
1 354 . 18 1 1 A 44 44 GLY HA3 H 44 3.940 4.086 -0.146 1
1 355 . 18 1 1 A 44 44 GLY N N 44 105.145 108.537 -3.392 1
1 356 . 18 1 1 A 45 45 LEU H H 45 8.579 8.590 -0.011 1
1 357 . 18 1 1 A 45 45 LEU HA H 45 4.906 4.503 0.403 1
1 367 . 18 1 1 A 45 45 LEU N N 45 122.487 122.986 -0.499 1
1 368 . 18 1 1 A 46 46 ARG H H 46 8.899 8.660 0.239 1
1 369 . 18 1 1 A 46 46 ARG HA H 46 4.584 4.395 0.189 1
1 374 . 18 1 1 A 46 46 ARG N N 46 123.175 121.362 1.813 1
1 375 . 18 1 1 A 47 47 ARG H H 47 8.330 7.954 0.376 1
1 376 . 18 1 1 A 47 47 ARG HA H 47 4.429 4.620 -0.191 1
1 381 . 18 1 1 A 47 47 ARG N N 47 120.447 119.799 0.648 1
1 382 . 18 1 1 A 48 48 LEU H H 48 8.348 8.355 -0.007 1
1 383 . 18 1 1 A 48 48 LEU HA H 48 4.458 4.531 -0.073 1
1 393 . 18 1 1 A 48 48 LEU N N 48 124.979 123.349 1.630 1
1 394 . 18 1 1 A 49 49 ALA H H 49 7.975 7.509 0.466 1
1 395 . 18 1 1 A 49 49 ALA HA H 49 4.176 4.385 -0.209 1
1 399 . 18 1 1 A 49 49 ALA N N 49 130.824 123.180 7.644 1
1 400 . 18 1 1 A 50 50 TYR H H 50 8.587 9.225 -0.638 1
1 401 . 18 1 1 A 50 50 TYR HA H 50 4.656 4.269 0.387 1
1 404 . 18 1 1 A 50 50 TYR N N 50 122.514 120.992 1.522 1
1 405 . 18 1 1 A 51 51 PRO HA H 51 4.554 4.104 0.450 1
1 406 . 18 1 1 A 52 52 ILE H H 52 8.262 8.371 -0.109 1
1 407 . 18 1 1 A 52 52 ILE HA H 52 4.182 4.012 0.170 1
1 414 . 18 1 1 A 52 52 ILE N N 52 121.932 124.023 -2.091 1
1 415 . 18 1 1 A 53 53 ALA H H 53 8.420 8.741 -0.321 1
1 416 . 18 1 1 A 53 53 ALA HA H 53 4.359 3.854 0.505 1
1 420 . 18 1 1 A 53 53 ALA N N 53 128.607 124.047 4.560 1
1 421 . 18 1 1 A 54 54 LYS H H 54 8.338 8.660 -0.322 1
1 422 . 18 1 1 A 54 54 LYS HA H 54 4.320 4.238 0.082 1
1 427 . 18 1 1 A 54 54 LYS N N 54 120.865 119.900 0.965 1
1 428 . 18 1 1 A 55 55 ASP H H 55 8.242 8.514 -0.272 1
1 431 . 18 1 1 A 55 55 ASP N N 55 121.940 121.869 0.071 1
1 432 . 18 1 1 A 56 56 PRO HA H 56 4.541 5.142 -0.601 1
1 433 . 18 1 1 A 57 57 GLN H H 57 8.346 8.978 -0.632 1
1 434 . 18 1 1 A 57 57 GLN HA H 57 5.113 4.368 0.745 1
1 441 . 18 1 1 A 57 57 GLN N N 57 119.306 118.700 0.606 1
1 443 . 18 1 1 A 58 58 GLY H H 58 8.724 7.450 1.274 1
1 444 . 18 1 1 A 58 58 GLY HA2 H 58 3.594 3.794 -0.200 1
1 445 . 18 1 1 A 58 58 GLY HA3 H 58 4.313 3.952 0.361 1
1 446 . 18 1 1 A 58 58 GLY N N 58 103.688 104.492 -0.804 1
1 447 . 18 1 1 A 59 59 TYR H H 59 8.941 8.068 0.873 1
1 448 . 18 1 1 A 59 59 TYR HA H 59 4.741 4.884 -0.143 1
1 453 . 18 1 1 A 59 59 TYR N N 59 123.537 120.535 3.002 1
1 454 . 18 1 1 A 60 60 PHE H H 60 9.215 9.340 -0.125 1
1 455 . 18 1 1 A 60 60 PHE HA H 60 5.054 5.223 -0.169 1
1 460 . 18 1 1 A 60 60 PHE N N 60 130.526 123.141 7.385 1
1 461 . 18 1 1 A 61 61 LEU H H 61 9.388 8.949 0.439 1
1 462 . 18 1 1 A 61 61 LEU HA H 61 5.047 5.259 -0.212 1
1 472 . 18 1 1 A 61 61 LEU N N 61 123.595 119.968 3.627 1
1 473 . 18 1 1 A 62 62 TRP H H 62 8.752 8.645 0.107 1
1 474 . 18 1 1 A 62 62 TRP HA H 62 5.554 5.711 -0.157 1
1 481 . 18 1 1 A 62 62 TRP N N 62 125.081 124.349 0.732 1
1 483 . 18 1 1 A 63 63 TYR H H 63 8.592 8.975 -0.383 1
1 484 . 18 1 1 A 63 63 TYR HA H 63 4.972 4.745 0.227 1
1 491 . 18 1 1 A 63 63 TYR N N 63 123.346 125.656 -2.310 1
1 492 . 18 1 1 A 64 64 GLN H H 64 8.604 8.414 0.190 1
1 493 . 18 1 1 A 64 64 GLN HA H 64 4.866 4.611 0.255 1
1 500 . 18 1 1 A 64 64 GLN N N 64 123.079 121.179 1.900 1
1 502 . 18 1 1 A 65 65 VAL H H 65 9.204 9.035 0.169 1
1 503 . 18 1 1 A 65 65 VAL HA H 65 5.672 5.021 0.651 1
1 511 . 18 1 1 A 65 65 VAL N N 65 119.156 117.896 1.260 1
1 512 . 18 1 1 A 66 66 GLU H H 66 8.635 8.654 -0.019 1
1 513 . 18 1 1 A 66 66 GLU HA H 66 5.333 4.781 0.552 1
1 518 . 18 1 1 A 66 66 GLU N N 66 121.502 120.306 1.196 1
1 519 . 18 1 1 A 67 67 MET H H 67 9.480 7.722 1.758 1
1 520 . 18 1 1 A 67 67 MET N N 67 122.258 117.671 4.587 1
1 521 . 18 1 1 A 68 68 PRO HA H 68 4.562 4.675 -0.113 1
1 522 . 18 1 1 A 69 69 GLU H H 69 10.059 8.769 1.290 1
1 523 . 18 1 1 A 69 69 GLU HA H 69 4.442 4.332 0.110 1
1 528 . 18 1 1 A 69 69 GLU N N 69 126.845 122.327 4.518 1
1 529 . 18 1 1 A 70 70 ASP H H 70 8.763 8.148 0.615 1
1 530 . 18 1 1 A 70 70 ASP HA H 70 4.568 4.452 0.116 1
1 533 . 18 1 1 A 70 70 ASP N N 70 115.710 120.048 -4.338 1
1 534 . 18 1 1 A 71 71 ARG H H 71 7.679 7.425 0.254 1
1 535 . 18 1 1 A 71 71 ARG HA H 71 4.853 4.238 0.615 1
1 536 . 18 1 1 A 71 71 ARG N N 71 116.513 119.118 -2.605 1
1 537 . 18 1 1 A 72 72 VAL H H 72 6.949 7.772 -0.823 1
1 538 . 18 1 1 A 72 72 VAL HA H 72 3.287 3.724 -0.437 1
1 546 . 18 1 1 A 72 72 VAL N N 72 119.962 120.094 -0.132 1
1 547 . 18 1 1 A 73 73 ASN H H 73 8.292 8.246 0.046 1
1 548 . 18 1 1 A 73 73 ASN HA H 73 4.378 4.367 0.011 1
1 553 . 18 1 1 A 73 73 ASN N N 73 117.910 119.586 -1.676 1
1 555 . 18 1 1 A 74 74 ASP H H 74 7.985 8.053 -0.068 1
1 556 . 18 1 1 A 74 74 ASP HA H 74 4.325 4.376 -0.051 1
1 559 . 18 1 1 A 74 74 ASP N N 74 121.962 120.117 1.845 1
1 560 . 18 1 1 A 75 75 LEU H H 75 7.519 8.151 -0.632 1
1 561 . 18 1 1 A 75 75 LEU HA H 75 3.060 3.782 -0.722 1
1 570 . 18 1 1 A 75 75 LEU N N 75 122.206 120.634 1.572 1
1 571 . 18 1 1 A 76 76 ALA H H 76 7.936 8.390 -0.454 1
1 572 . 18 1 1 A 76 76 ALA HA H 76 3.582 3.938 -0.356 1
1 576 . 18 1 1 A 76 76 ALA N N 76 119.529 121.132 -1.603 1
1 577 . 18 1 1 A 77 77 ARG H H 77 7.619 7.929 -0.310 1
1 578 . 18 1 1 A 77 77 ARG HA H 77 3.852 4.109 -0.257 1
1 585 . 18 1 1 A 77 77 ARG N N 77 115.626 117.753 -2.127 1
1 586 . 18 1 1 A 78 78 GLU H H 78 7.739 7.773 -0.034 1
1 587 . 18 1 1 A 78 78 GLU HA H 78 4.000 4.064 -0.064 1
1 592 . 18 1 1 A 78 78 GLU N N 78 119.427 120.252 -0.825 1
1 593 . 18 1 1 A 79 79 LEU H H 79 8.183 8.154 0.029 1
1 594 . 18 1 1 A 79 79 LEU HA H 79 4.033 4.000 0.033 1
1 603 . 18 1 1 A 79 79 LEU N N 79 117.433 120.170 -2.737 1
1 604 . 18 1 1 A 80 80 ARG H H 80 7.546 8.385 -0.839 1
1 605 . 18 1 1 A 80 80 ARG HA H 80 3.960 4.047 -0.087 1
1 610 . 18 1 1 A 80 80 ARG N N 80 113.295 119.125 -5.830 1
1 611 . 18 1 1 A 81 81 ILE H H 81 7.280 7.385 -0.105 1
1 612 . 18 1 1 A 81 81 ILE HA H 81 3.987 4.125 -0.138 1
1 622 . 18 1 1 A 81 81 ILE N N 81 115.559 118.570 -3.011 1
1 623 . 18 1 1 A 82 82 ARG H H 82 6.846 7.513 -0.667 1
1 624 . 18 1 1 A 82 82 ARG HA H 82 4.231 4.190 0.041 1
1 631 . 18 1 1 A 82 82 ARG N N 82 119.695 123.300 -3.605 1
1 632 . 18 1 1 A 83 83 ASP H H 83 8.502 9.082 -0.580 1
1 633 . 18 1 1 A 83 83 ASP HA H 83 4.346 4.406 -0.060 1
1 636 . 18 1 1 A 83 83 ASP N N 83 123.697 124.694 -0.997 1
1 637 . 18 1 1 A 84 84 ASN H H 84 8.883 8.147 0.736 1
1 638 . 18 1 1 A 84 84 ASN HA H 84 4.822 4.593 0.229 1
1 643 . 18 1 1 A 84 84 ASN N N 84 112.236 117.968 -5.732 1
1 645 . 18 1 1 A 85 85 VAL H H 85 7.800 7.632 0.168 1
1 646 . 18 1 1 A 85 85 VAL HA H 85 4.048 4.121 -0.073 1
1 654 . 18 1 1 A 85 85 VAL N N 85 122.112 118.745 3.367 1
1 655 . 18 1 1 A 86 86 ARG H H 86 9.285 8.974 0.311 1
1 656 . 18 1 1 A 86 86 ARG HA H 86 4.432 4.459 -0.027 1
1 657 . 18 1 1 A 86 86 ARG N N 86 126.445 128.486 -2.041 1
1 658 . 18 1 1 A 87 87 ARG H H 87 7.671 7.643 0.028 1
1 659 . 18 1 1 A 87 87 ARG HA H 87 4.556 4.744 -0.188 1
1 666 . 18 1 1 A 87 87 ARG N N 87 116.855 118.991 -2.136 1
1 667 . 18 1 1 A 88 88 VAL H H 88 8.904 8.444 0.460 1
1 668 . 18 1 1 A 88 88 VAL HA H 88 4.834 4.872 -0.038 1
1 676 . 18 1 1 A 88 88 VAL N N 88 123.751 123.465 0.286 1
1 677 . 18 1 1 A 89 89 MET H H 89 9.119 8.399 0.720 1
1 678 . 18 1 1 A 89 89 MET HA H 89 4.869 5.236 -0.367 1
1 683 . 18 1 1 A 89 89 MET N N 89 127.251 125.537 1.714 1
1 684 . 18 1 1 A 90 90 VAL H H 90 9.007 8.973 0.034 1
1 685 . 18 1 1 A 90 90 VAL HA H 90 4.962 5.108 -0.146 1
1 693 . 18 1 1 A 90 90 VAL N N 90 127.769 124.728 3.041 1
1 694 . 18 1 1 A 91 91 VAL H H 91 9.195 8.967 0.228 1
1 695 . 18 1 1 A 91 91 VAL HA H 91 4.660 4.888 -0.228 1
1 703 . 18 1 1 A 91 91 VAL N N 91 126.267 121.050 5.217 1
1 704 . 18 1 1 A 92 92 LYS H H 92 8.914 8.499 0.415 1
1 705 . 18 1 1 A 92 92 LYS HA H 92 4.124 4.560 -0.436 1
1 712 . 18 1 1 A 92 92 LYS N N 92 126.996 126.025 0.971 1
1 713 . 18 1 1 A 93 93 SER H H 93 8.046 8.087 -0.041 1
1 714 . 18 1 1 A 93 93 SER HA H 93 4.396 5.230 -0.834 1
1 717 . 18 1 1 A 93 93 SER N N 93 120.732 123.402 -2.670 1
1 718 . 18 1 1 A 94 94 GLN H H 94 8.806 8.796 0.010 1
1 719 . 18 1 1 A 94 94 GLN HA H 94 4.316 4.868 -0.552 1
1 726 . 18 1 1 A 94 94 GLN N N 94 124.100 122.613 1.487 1
1 728 . 18 1 1 A 95 95 GLU H H 95 8.481 8.438 0.043 1
1 729 . 18 1 1 A 95 95 GLU HA H 95 4.579 4.807 -0.228 1
1 734 . 18 1 1 A 95 95 GLU N N 95 124.145 120.179 3.966 1
1 735 . 18 1 1 A 96 96 PRO HA H 96 4.408 4.766 -0.358 1
1 742 . 18 1 1 A 97 97 PHE H H 97 8.234 8.469 -0.235 1
1 743 . 18 1 1 A 97 97 PHE HA H 97 4.647 4.685 -0.038 1
1 748 . 18 1 1 A 97 97 PHE N N 97 120.145 124.215 -4.070 1
1 749 . 18 1 1 A 98 98 LEU H H 98 8.115 8.037 0.078 1
1 750 . 18 1 1 A 98 98 LEU HA H 98 4.368 4.014 0.354 1
1 759 . 18 1 1 A 98 98 LEU N N 98 125.838 117.867 7.971 1
1 760 . 18 1 1 A 99 99 ALA H H 99 7.765 8.181 -0.416 1
1 761 . 18 1 1 A 99 99 ALA HA H 99 4.074 4.723 -0.649 1
1 2 . 19 1 1 A 2 2 ARG H H 2 8.836 8.407 0.429 1
1 3 . 19 1 1 A 2 2 ARG HA H 2 4.715 4.883 -0.168 1
1 5 . 19 1 1 A 2 2 ARG N N 2 122.718 122.693 0.025 1
1 6 . 19 1 1 A 3 3 ARG H H 3 8.145 8.201 -0.056 1
1 7 . 19 1 1 A 3 3 ARG HA H 3 5.354 5.638 -0.284 1
1 11 . 19 1 1 A 3 3 ARG N N 3 121.051 120.667 0.384 1
1 12 . 19 1 1 A 4 4 TYR H H 4 9.186 9.160 0.026 1
1 13 . 19 1 1 A 4 4 TYR HA H 4 5.061 5.099 -0.038 1
1 20 . 19 1 1 A 4 4 TYR N N 4 122.362 120.103 2.259 1
1 21 . 19 1 1 A 5 5 GLU H H 5 9.357 8.617 0.740 1
1 22 . 19 1 1 A 5 5 GLU HA H 5 5.006 5.344 -0.338 1
1 27 . 19 1 1 A 5 5 GLU N N 5 119.338 119.624 -0.286 1
1 28 . 19 1 1 A 6 6 VAL H H 6 9.387 9.005 0.382 1
1 29 . 19 1 1 A 6 6 VAL HA H 6 4.481 4.559 -0.078 1
1 37 . 19 1 1 A 6 6 VAL N N 6 124.463 124.651 -0.188 1
1 38 . 19 1 1 A 7 7 ASN H H 7 9.059 8.823 0.236 1
1 39 . 19 1 1 A 7 7 ASN HA H 7 5.550 5.186 0.364 1
1 44 . 19 1 1 A 7 7 ASN N N 7 125.802 126.431 -0.629 1
1 46 . 19 1 1 A 8 8 ILE H H 8 9.108 9.154 -0.046 1
1 47 . 19 1 1 A 8 8 ILE HA H 8 4.851 4.952 -0.101 1
1 57 . 19 1 1 A 8 8 ILE N N 8 125.010 124.857 0.153 1
1 58 . 19 1 1 A 9 9 VAL H H 9 8.669 8.824 -0.155 1
1 59 . 19 1 1 A 9 9 VAL HA H 9 4.518 4.812 -0.294 1
1 67 . 19 1 1 A 9 9 VAL N N 9 125.755 126.360 -0.605 1
1 68 . 19 1 1 A 10 10 LEU H H 10 9.855 8.675 1.180 1
1 69 . 19 1 1 A 10 10 LEU HA H 10 5.341 4.848 0.493 1
1 79 . 19 1 1 A 10 10 LEU N N 10 127.024 128.707 -1.683 1
1 80 . 19 1 1 A 11 11 ASN H H 11 8.316 8.715 -0.399 1
1 85 . 19 1 1 A 11 11 ASN N N 11 118.911 120.232 -1.321 1
1 87 . 19 1 1 A 12 12 PRO HA H 12 4.471 4.642 -0.171 1
1 90 . 19 1 1 A 13 13 ASN H H 13 8.316 8.224 0.092 1
1 91 . 19 1 1 A 13 13 ASN HA H 13 4.813 4.327 0.486 1
1 96 . 19 1 1 A 13 13 ASN N N 13 118.703 119.637 -0.934 1
1 98 . 19 1 1 A 14 14 LEU H H 14 7.181 7.822 -0.641 1
1 99 . 19 1 1 A 14 14 LEU HA H 14 4.382 4.379 0.003 1
1 109 . 19 1 1 A 14 14 LEU N N 14 118.890 118.885 0.005 1
1 110 . 19 1 1 A 15 15 ASP H H 15 8.671 8.528 0.143 1
1 111 . 19 1 1 A 15 15 ASP HA H 15 4.704 4.856 -0.152 1
1 114 . 19 1 1 A 15 15 ASP N N 15 122.145 120.553 1.592 1
1 115 . 19 1 1 A 16 16 GLN H H 16 8.549 8.787 -0.238 1
1 116 . 19 1 1 A 16 16 GLN HA H 16 3.939 3.992 -0.053 1
1 123 . 19 1 1 A 16 16 GLN N N 16 116.429 119.941 -3.512 1
1 125 . 19 1 1 A 17 17 SER H H 17 8.352 8.017 0.335 1
1 126 . 19 1 1 A 17 17 SER HA H 17 4.316 4.157 0.159 1
1 129 . 19 1 1 A 17 17 SER N N 17 117.102 114.859 2.243 1
1 130 . 19 1 1 A 18 18 GLN H H 18 8.683 8.970 -0.287 1
1 131 . 19 1 1 A 18 18 GLN HA H 18 4.065 4.127 -0.062 1
1 138 . 19 1 1 A 18 18 GLN N N 18 124.500 121.623 2.877 1
1 140 . 19 1 1 A 19 19 LEU H H 19 8.792 8.149 0.643 1
1 141 . 19 1 1 A 19 19 LEU HA H 19 3.793 4.291 -0.498 1
1 148 . 19 1 1 A 19 19 LEU N N 19 121.821 121.616 0.205 1
1 149 . 19 1 1 A 20 20 ALA H H 20 7.823 8.807 -0.984 1
1 150 . 19 1 1 A 20 20 ALA HA H 20 4.014 4.022 -0.008 1
1 154 . 19 1 1 A 20 20 ALA N N 20 120.183 120.834 -0.651 1
1 155 . 19 1 1 A 21 21 LEU H H 21 7.569 7.401 0.168 1
1 156 . 19 1 1 A 21 21 LEU HA H 21 4.255 3.911 0.344 1
1 166 . 19 1 1 A 21 21 LEU N N 21 119.682 117.079 2.603 1
1 167 . 19 1 1 A 22 22 GLU H H 22 8.076 7.963 0.113 1
1 168 . 19 1 1 A 22 22 GLU HA H 22 4.146 4.016 0.130 1
1 173 . 19 1 1 A 22 22 GLU N N 22 117.135 119.877 -2.742 1
1 174 . 19 1 1 A 23 23 LYS H H 23 8.400 7.568 0.832 1
1 175 . 19 1 1 A 23 23 LYS HA H 23 3.940 4.050 -0.110 1
1 182 . 19 1 1 A 23 23 LYS N N 23 117.328 119.770 -2.442 1
1 183 . 19 1 1 A 24 24 GLU H H 24 8.002 7.734 0.268 1
1 184 . 19 1 1 A 24 24 GLU HA H 24 4.134 4.137 -0.003 1
1 189 . 19 1 1 A 24 24 GLU N N 24 121.932 119.581 2.351 1
1 190 . 19 1 1 A 25 25 ILE H H 25 8.124 7.972 0.152 1
1 191 . 19 1 1 A 25 25 ILE HA H 25 3.628 3.707 -0.079 1
1 201 . 19 1 1 A 25 25 ILE N N 25 121.791 120.140 1.651 1
1 202 . 19 1 1 A 26 26 ILE H H 26 8.311 8.489 -0.178 1
1 203 . 19 1 1 A 26 26 ILE HA H 26 3.421 3.761 -0.340 1
1 211 . 19 1 1 A 26 26 ILE N N 26 122.094 120.721 1.373 1
1 212 . 19 1 1 A 27 27 GLN H H 27 8.169 7.875 0.294 1
1 213 . 19 1 1 A 27 27 GLN HA H 27 3.769 3.899 -0.130 1
1 220 . 19 1 1 A 27 27 GLN N N 27 118.606 120.582 -1.976 1
1 222 . 19 1 1 A 28 28 ARG H H 28 8.146 7.585 0.561 1
1 223 . 19 1 1 A 28 28 ARG HA H 28 4.125 4.045 0.080 1
1 230 . 19 1 1 A 28 28 ARG N N 28 118.685 119.363 -0.678 1
1 231 . 19 1 1 A 29 29 ALA H H 29 8.176 7.874 0.302 1
1 232 . 19 1 1 A 29 29 ALA HA H 29 4.318 4.140 0.178 1
1 236 . 19 1 1 A 29 29 ALA N N 29 123.579 122.186 1.393 1
1 237 . 19 1 1 A 30 30 LEU H H 30 8.415 7.658 0.757 1
1 238 . 19 1 1 A 30 30 LEU HA H 30 3.774 3.929 -0.155 1
1 248 . 19 1 1 A 30 30 LEU N N 30 116.873 118.414 -1.541 1
1 249 . 19 1 1 A 31 31 GLU H H 31 7.865 8.672 -0.807 1
1 250 . 19 1 1 A 31 31 GLU HA H 31 4.172 4.048 0.124 1
1 255 . 19 1 1 A 31 31 GLU N N 31 117.422 118.296 -0.874 1
1 256 . 19 1 1 A 32 32 ASN H H 32 8.715 8.135 0.580 1
1 257 . 19 1 1 A 32 32 ASN HA H 32 4.434 4.436 -0.002 1
1 262 . 19 1 1 A 32 32 ASN N N 32 120.768 119.094 1.674 1
1 264 . 19 1 1 A 33 33 TYR H H 33 7.882 7.399 0.483 1
1 265 . 19 1 1 A 33 33 TYR HA H 33 4.321 4.580 -0.259 1
1 272 . 19 1 1 A 33 33 TYR N N 33 117.207 116.906 0.301 1
1 273 . 19 1 1 A 34 34 GLY H H 34 7.668 8.129 -0.461 1
1 274 . 19 1 1 A 34 34 GLY HA2 H 34 3.796 3.941 -0.145 1
1 275 . 19 1 1 A 34 34 GLY HA3 H 34 4.037 3.955 0.082 1
1 276 . 19 1 1 A 34 34 GLY N N 34 104.268 108.891 -4.623 1
1 277 . 19 1 1 A 35 35 ALA H H 35 8.373 8.175 0.198 1
1 278 . 19 1 1 A 35 35 ALA HA H 35 4.955 4.694 0.261 1
1 282 . 19 1 1 A 35 35 ALA N N 35 120.534 123.104 -2.570 1
1 283 . 19 1 1 A 36 36 ARG H H 36 9.073 8.985 0.088 1
1 284 . 19 1 1 A 36 36 ARG HA H 36 4.582 5.017 -0.435 1
1 289 . 19 1 1 A 36 36 ARG N N 36 123.245 122.623 0.622 1
1 290 . 19 1 1 A 37 37 VAL H H 37 9.105 8.809 0.296 1
1 291 . 19 1 1 A 37 37 VAL HA H 37 4.011 4.861 -0.850 1
1 299 . 19 1 1 A 37 37 VAL N N 37 126.869 124.074 2.795 1
1 300 . 19 1 1 A 38 38 GLU H H 38 9.217 9.747 -0.530 1
1 301 . 19 1 1 A 38 38 GLU HA H 38 4.395 4.549 -0.154 1
1 306 . 19 1 1 A 38 38 GLU N N 38 129.074 129.834 -0.760 1
1 307 . 19 1 1 A 39 39 LYS H H 39 7.822 7.649 0.173 1
1 308 . 19 1 1 A 39 39 LYS HA H 39 4.672 4.666 0.006 1
1 315 . 19 1 1 A 39 39 LYS N N 39 116.882 117.630 -0.748 1
1 316 . 19 1 1 A 40 40 VAL H H 40 8.412 8.873 -0.461 1
1 317 . 19 1 1 A 40 40 VAL HA H 40 4.892 4.801 0.091 1
1 325 . 19 1 1 A 40 40 VAL N N 40 121.731 123.822 -2.091 1
1 326 . 19 1 1 A 41 41 GLU H H 41 9.523 7.695 1.828 1
1 327 . 19 1 1 A 41 41 GLU HA H 41 4.688 4.809 -0.121 1
1 332 . 19 1 1 A 41 41 GLU N N 41 126.064 128.378 -2.314 1
1 333 . 19 1 1 A 42 42 GLU H H 42 9.049 8.576 0.473 1
1 334 . 19 1 1 A 42 42 GLU HA H 42 4.658 4.448 0.210 1
1 339 . 19 1 1 A 42 42 GLU N N 42 126.962 125.236 1.726 1
1 340 . 19 1 1 A 43 43 LEU H H 43 7.887 9.060 -1.173 1
1 341 . 19 1 1 A 43 43 LEU HA H 43 4.252 4.282 -0.030 1
1 351 . 19 1 1 A 43 43 LEU N N 43 126.929 125.828 1.101 1
1 352 . 19 1 1 A 44 44 GLY H H 44 7.839 7.611 0.228 1
1 353 . 19 1 1 A 44 44 GLY HA2 H 44 2.380 4.056 -1.676 1
1 354 . 19 1 1 A 44 44 GLY HA3 H 44 3.940 4.126 -0.186 1
1 355 . 19 1 1 A 44 44 GLY N N 44 105.145 104.430 0.715 1
1 356 . 19 1 1 A 45 45 LEU H H 45 8.579 8.054 0.525 1
1 357 . 19 1 1 A 45 45 LEU HA H 45 4.906 4.659 0.247 1
1 367 . 19 1 1 A 45 45 LEU N N 45 122.487 119.877 2.610 1
1 368 . 19 1 1 A 46 46 ARG H H 46 8.899 7.973 0.926 1
1 369 . 19 1 1 A 46 46 ARG HA H 46 4.584 4.625 -0.041 1
1 374 . 19 1 1 A 46 46 ARG N N 46 123.175 116.118 7.057 1
1 375 . 19 1 1 A 47 47 ARG H H 47 8.330 8.479 -0.149 1
1 376 . 19 1 1 A 47 47 ARG HA H 47 4.429 4.445 -0.016 1
1 381 . 19 1 1 A 47 47 ARG N N 47 120.447 124.118 -3.671 1
1 382 . 19 1 1 A 48 48 LEU H H 48 8.348 7.369 0.979 1
1 383 . 19 1 1 A 48 48 LEU HA H 48 4.458 4.219 0.239 1
1 393 . 19 1 1 A 48 48 LEU N N 48 124.979 121.624 3.355 1
1 394 . 19 1 1 A 49 49 ALA H H 49 7.975 8.844 -0.869 1
1 395 . 19 1 1 A 49 49 ALA HA H 49 4.176 4.722 -0.546 1
1 399 . 19 1 1 A 49 49 ALA N N 49 130.824 127.325 3.499 1
1 400 . 19 1 1 A 50 50 TYR H H 50 8.587 9.075 -0.488 1
1 401 . 19 1 1 A 50 50 TYR HA H 50 4.656 4.305 0.351 1
1 404 . 19 1 1 A 50 50 TYR N N 50 122.514 119.581 2.933 1
1 405 . 19 1 1 A 51 51 PRO HA H 51 4.554 4.124 0.430 1
1 406 . 19 1 1 A 52 52 ILE H H 52 8.262 8.127 0.135 1
1 407 . 19 1 1 A 52 52 ILE HA H 52 4.182 4.338 -0.156 1
1 414 . 19 1 1 A 52 52 ILE N N 52 121.932 120.439 1.493 1
1 415 . 19 1 1 A 53 53 ALA H H 53 8.420 8.639 -0.219 1
1 416 . 19 1 1 A 53 53 ALA HA H 53 4.359 3.858 0.501 1
1 420 . 19 1 1 A 53 53 ALA N N 53 128.607 124.289 4.318 1
1 421 . 19 1 1 A 54 54 LYS H H 54 8.338 8.322 0.016 1
1 422 . 19 1 1 A 54 54 LYS HA H 54 4.320 4.511 -0.191 1
1 427 . 19 1 1 A 54 54 LYS N N 54 120.865 119.436 1.429 1
1 428 . 19 1 1 A 55 55 ASP H H 55 8.242 8.687 -0.445 1
1 431 . 19 1 1 A 55 55 ASP N N 55 121.940 125.731 -3.791 1
1 432 . 19 1 1 A 56 56 PRO HA H 56 4.541 4.647 -0.106 1
1 433 . 19 1 1 A 57 57 GLN H H 57 8.346 7.576 0.770 1
1 434 . 19 1 1 A 57 57 GLN HA H 57 5.113 4.331 0.782 1
1 441 . 19 1 1 A 57 57 GLN N N 57 119.306 118.942 0.364 1
1 443 . 19 1 1 A 58 58 GLY H H 58 8.724 8.711 0.013 1
1 444 . 19 1 1 A 58 58 GLY HA2 H 58 3.594 4.270 -0.676 1
1 445 . 19 1 1 A 58 58 GLY HA3 H 58 4.313 4.294 0.019 1
1 446 . 19 1 1 A 58 58 GLY N N 58 103.688 110.414 -6.726 1
1 447 . 19 1 1 A 59 59 TYR H H 59 8.941 8.322 0.619 1
1 448 . 19 1 1 A 59 59 TYR HA H 59 4.741 5.399 -0.658 1
1 453 . 19 1 1 A 59 59 TYR N N 59 123.537 122.474 1.063 1
1 454 . 19 1 1 A 60 60 PHE H H 60 9.215 9.088 0.127 1
1 455 . 19 1 1 A 60 60 PHE HA H 60 5.054 5.168 -0.114 1
1 460 . 19 1 1 A 60 60 PHE N N 60 130.526 123.938 6.588 1
1 461 . 19 1 1 A 61 61 LEU H H 61 9.388 8.624 0.764 1
1 462 . 19 1 1 A 61 61 LEU HA H 61 5.047 5.138 -0.091 1
1 472 . 19 1 1 A 61 61 LEU N N 61 123.595 118.456 5.139 1
1 473 . 19 1 1 A 62 62 TRP H H 62 8.752 9.084 -0.332 1
1 474 . 19 1 1 A 62 62 TRP HA H 62 5.554 5.585 -0.031 1
1 481 . 19 1 1 A 62 62 TRP N N 62 125.081 123.392 1.689 1
1 483 . 19 1 1 A 63 63 TYR H H 63 8.592 8.623 -0.031 1
1 484 . 19 1 1 A 63 63 TYR HA H 63 4.972 5.470 -0.498 1
1 491 . 19 1 1 A 63 63 TYR N N 63 123.346 117.394 5.952 1
1 492 . 19 1 1 A 64 64 GLN H H 64 8.604 9.100 -0.496 1
1 493 . 19 1 1 A 64 64 GLN HA H 64 4.866 5.183 -0.317 1
1 500 . 19 1 1 A 64 64 GLN N N 64 123.079 120.188 2.891 1
1 502 . 19 1 1 A 65 65 VAL H H 65 9.204 8.758 0.446 1
1 503 . 19 1 1 A 65 65 VAL HA H 65 5.672 5.636 0.036 1
1 511 . 19 1 1 A 65 65 VAL N N 65 119.156 118.430 0.726 1
1 512 . 19 1 1 A 66 66 GLU H H 66 8.635 8.838 -0.203 1
1 513 . 19 1 1 A 66 66 GLU HA H 66 5.333 5.019 0.314 1
1 518 . 19 1 1 A 66 66 GLU N N 66 121.502 122.162 -0.660 1
1 519 . 19 1 1 A 67 67 MET H H 67 9.480 8.767 0.713 1
1 520 . 19 1 1 A 67 67 MET N N 67 122.258 122.664 -0.406 1
1 521 . 19 1 1 A 68 68 PRO HA H 68 4.562 4.620 -0.058 1
1 522 . 19 1 1 A 69 69 GLU H H 69 10.059 8.746 1.313 1
1 523 . 19 1 1 A 69 69 GLU HA H 69 4.442 3.924 0.518 1
1 528 . 19 1 1 A 69 69 GLU N N 69 126.845 121.767 5.078 1
1 529 . 19 1 1 A 70 70 ASP H H 70 8.763 8.342 0.421 1
1 530 . 19 1 1 A 70 70 ASP HA H 70 4.568 4.477 0.091 1
1 533 . 19 1 1 A 70 70 ASP N N 70 115.710 118.926 -3.216 1
1 534 . 19 1 1 A 71 71 ARG H H 71 7.679 7.917 -0.238 1
1 535 . 19 1 1 A 71 71 ARG HA H 71 4.853 4.109 0.744 1
1 536 . 19 1 1 A 71 71 ARG N N 71 116.513 120.500 -3.987 1
1 537 . 19 1 1 A 72 72 VAL H H 72 6.949 7.724 -0.775 1
1 538 . 19 1 1 A 72 72 VAL HA H 72 3.287 3.664 -0.377 1
1 546 . 19 1 1 A 72 72 VAL N N 72 119.962 118.355 1.607 1
1 547 . 19 1 1 A 73 73 ASN H H 73 8.292 8.215 0.077 1
1 548 . 19 1 1 A 73 73 ASN HA H 73 4.378 4.383 -0.005 1
1 553 . 19 1 1 A 73 73 ASN N N 73 117.910 119.493 -1.583 1
1 555 . 19 1 1 A 74 74 ASP H H 74 7.985 8.038 -0.053 1
1 556 . 19 1 1 A 74 74 ASP HA H 74 4.325 4.438 -0.113 1
1 559 . 19 1 1 A 74 74 ASP N N 74 121.962 120.000 1.962 1
1 560 . 19 1 1 A 75 75 LEU H H 75 7.519 8.405 -0.886 1
1 561 . 19 1 1 A 75 75 LEU HA H 75 3.060 4.113 -1.053 1
1 570 . 19 1 1 A 75 75 LEU N N 75 122.206 121.001 1.205 1
1 571 . 19 1 1 A 76 76 ALA H H 76 7.936 8.261 -0.325 1
1 572 . 19 1 1 A 76 76 ALA HA H 76 3.582 3.979 -0.397 1
1 576 . 19 1 1 A 76 76 ALA N N 76 119.529 121.348 -1.819 1
1 577 . 19 1 1 A 77 77 ARG H H 77 7.619 8.017 -0.398 1
1 578 . 19 1 1 A 77 77 ARG HA H 77 3.852 4.104 -0.252 1
1 585 . 19 1 1 A 77 77 ARG N N 77 115.626 117.668 -2.042 1
1 586 . 19 1 1 A 78 78 GLU H H 78 7.739 7.669 0.070 1
1 587 . 19 1 1 A 78 78 GLU HA H 78 4.000 3.997 0.003 1
1 592 . 19 1 1 A 78 78 GLU N N 78 119.427 120.033 -0.606 1
1 593 . 19 1 1 A 79 79 LEU H H 79 8.183 8.432 -0.249 1
1 594 . 19 1 1 A 79 79 LEU HA H 79 4.033 3.988 0.045 1
1 603 . 19 1 1 A 79 79 LEU N N 79 117.433 120.272 -2.839 1
1 604 . 19 1 1 A 80 80 ARG H H 80 7.546 7.778 -0.232 1
1 605 . 19 1 1 A 80 80 ARG HA H 80 3.960 4.016 -0.056 1
1 610 . 19 1 1 A 80 80 ARG N N 80 113.295 119.175 -5.880 1
1 611 . 19 1 1 A 81 81 ILE H H 81 7.280 7.369 -0.089 1
1 612 . 19 1 1 A 81 81 ILE HA H 81 3.987 4.104 -0.117 1
1 622 . 19 1 1 A 81 81 ILE N N 81 115.559 117.778 -2.219 1
1 623 . 19 1 1 A 82 82 ARG H H 82 6.846 7.273 -0.427 1
1 624 . 19 1 1 A 82 82 ARG HA H 82 4.231 4.195 0.036 1
1 631 . 19 1 1 A 82 82 ARG N N 82 119.695 123.542 -3.847 1
1 632 . 19 1 1 A 83 83 ASP H H 83 8.502 9.098 -0.596 1
1 633 . 19 1 1 A 83 83 ASP HA H 83 4.346 4.353 -0.007 1
1 636 . 19 1 1 A 83 83 ASP N N 83 123.697 125.042 -1.345 1
1 637 . 19 1 1 A 84 84 ASN H H 84 8.883 8.049 0.834 1
1 638 . 19 1 1 A 84 84 ASN HA H 84 4.822 4.622 0.200 1
1 643 . 19 1 1 A 84 84 ASN N N 84 112.236 116.870 -4.634 1
1 645 . 19 1 1 A 85 85 VAL H H 85 7.800 7.518 0.282 1
1 646 . 19 1 1 A 85 85 VAL HA H 85 4.048 3.937 0.111 1
1 654 . 19 1 1 A 85 85 VAL N N 85 122.112 119.917 2.195 1
1 655 . 19 1 1 A 86 86 ARG H H 86 9.285 8.867 0.418 1
1 656 . 19 1 1 A 86 86 ARG HA H 86 4.432 4.258 0.174 1
1 657 . 19 1 1 A 86 86 ARG N N 86 126.445 129.520 -3.075 1
1 658 . 19 1 1 A 87 87 ARG H H 87 7.671 7.453 0.218 1
1 659 . 19 1 1 A 87 87 ARG HA H 87 4.556 4.645 -0.089 1
1 666 . 19 1 1 A 87 87 ARG N N 87 116.855 117.790 -0.935 1
1 667 . 19 1 1 A 88 88 VAL H H 88 8.904 8.706 0.198 1
1 668 . 19 1 1 A 88 88 VAL HA H 88 4.834 4.928 -0.094 1
1 676 . 19 1 1 A 88 88 VAL N N 88 123.751 119.914 3.837 1
1 677 . 19 1 1 A 89 89 MET H H 89 9.119 8.906 0.213 1
1 678 . 19 1 1 A 89 89 MET HA H 89 4.869 5.098 -0.229 1
1 683 . 19 1 1 A 89 89 MET N N 89 127.251 125.757 1.494 1
1 684 . 19 1 1 A 90 90 VAL H H 90 9.007 8.894 0.113 1
1 685 . 19 1 1 A 90 90 VAL HA H 90 4.962 4.762 0.200 1
1 693 . 19 1 1 A 90 90 VAL N N 90 127.769 125.604 2.165 1
1 694 . 19 1 1 A 91 91 VAL H H 91 9.195 8.912 0.283 1
1 695 . 19 1 1 A 91 91 VAL HA H 91 4.660 4.780 -0.120 1
1 703 . 19 1 1 A 91 91 VAL N N 91 126.267 130.417 -4.150 1
1 704 . 19 1 1 A 92 92 LYS H H 92 8.914 8.349 0.565 1
1 705 . 19 1 1 A 92 92 LYS HA H 92 4.124 4.594 -0.470 1
1 712 . 19 1 1 A 92 92 LYS N N 92 126.996 125.074 1.922 1
1 713 . 19 1 1 A 93 93 SER H H 93 8.046 8.416 -0.370 1
1 714 . 19 1 1 A 93 93 SER HA H 93 4.396 4.389 0.007 1
1 717 . 19 1 1 A 93 93 SER N N 93 120.732 117.004 3.728 1
1 718 . 19 1 1 A 94 94 GLN H H 94 8.806 8.356 0.450 1
1 719 . 19 1 1 A 94 94 GLN HA H 94 4.316 4.352 -0.036 1
1 726 . 19 1 1 A 94 94 GLN N N 94 124.100 121.372 2.728 1
1 728 . 19 1 1 A 95 95 GLU H H 95 8.481 8.528 -0.047 1
1 729 . 19 1 1 A 95 95 GLU HA H 95 4.579 4.466 0.113 1
1 734 . 19 1 1 A 95 95 GLU N N 95 124.145 121.680 2.465 1
1 735 . 19 1 1 A 96 96 PRO HA H 96 4.408 4.688 -0.280 1
1 742 . 19 1 1 A 97 97 PHE H H 97 8.234 8.609 -0.375 1
1 743 . 19 1 1 A 97 97 PHE HA H 97 4.647 4.704 -0.057 1
1 748 . 19 1 1 A 97 97 PHE N N 97 120.145 121.171 -1.026 1
1 749 . 19 1 1 A 98 98 LEU H H 98 8.115 7.841 0.274 1
1 750 . 19 1 1 A 98 98 LEU HA H 98 4.368 4.266 0.102 1
1 759 . 19 1 1 A 98 98 LEU N N 98 125.838 126.562 -0.724 1
1 760 . 19 1 1 A 99 99 ALA H H 99 7.765 8.903 -1.138 1
1 761 . 19 1 1 A 99 99 ALA HA H 99 4.074 4.940 -0.866 1
1 2 . 20 1 1 A 2 2 ARG H H 2 8.836 7.804 1.032 1
1 3 . 20 1 1 A 2 2 ARG HA H 2 4.715 4.743 -0.028 1
1 5 . 20 1 1 A 2 2 ARG N N 2 122.718 118.066 4.652 1
1 6 . 20 1 1 A 3 3 ARG H H 3 8.145 8.440 -0.295 1
1 7 . 20 1 1 A 3 3 ARG HA H 3 5.354 5.480 -0.126 1
1 11 . 20 1 1 A 3 3 ARG N N 3 121.051 121.242 -0.191 1
1 12 . 20 1 1 A 4 4 TYR H H 4 9.186 9.038 0.148 1
1 13 . 20 1 1 A 4 4 TYR HA H 4 5.061 5.234 -0.173 1
1 20 . 20 1 1 A 4 4 TYR N N 4 122.362 119.584 2.778 1
1 21 . 20 1 1 A 5 5 GLU H H 5 9.357 8.538 0.819 1
1 22 . 20 1 1 A 5 5 GLU HA H 5 5.006 4.760 0.246 1
1 27 . 20 1 1 A 5 5 GLU N N 5 119.338 118.695 0.643 1
1 28 . 20 1 1 A 6 6 VAL H H 6 9.387 8.502 0.885 1
1 29 . 20 1 1 A 6 6 VAL HA H 6 4.481 4.448 0.033 1
1 37 . 20 1 1 A 6 6 VAL N N 6 124.463 123.985 0.478 1
1 38 . 20 1 1 A 7 7 ASN H H 7 9.059 8.324 0.735 1
1 39 . 20 1 1 A 7 7 ASN HA H 7 5.550 5.235 0.315 1
1 44 . 20 1 1 A 7 7 ASN N N 7 125.802 125.723 0.079 1
1 46 . 20 1 1 A 8 8 ILE H H 8 9.108 9.026 0.082 1
1 47 . 20 1 1 A 8 8 ILE HA H 8 4.851 4.832 0.019 1
1 57 . 20 1 1 A 8 8 ILE N N 8 125.010 124.795 0.215 1
1 58 . 20 1 1 A 9 9 VAL H H 9 8.669 9.181 -0.512 1
1 59 . 20 1 1 A 9 9 VAL HA H 9 4.518 5.391 -0.873 1
1 67 . 20 1 1 A 9 9 VAL N N 9 125.755 123.823 1.932 1
1 68 . 20 1 1 A 10 10 LEU H H 10 9.855 8.916 0.939 1
1 69 . 20 1 1 A 10 10 LEU HA H 10 5.341 5.378 -0.037 1
1 79 . 20 1 1 A 10 10 LEU N N 10 127.024 123.473 3.551 1
1 80 . 20 1 1 A 11 11 ASN H H 11 8.316 9.033 -0.717 1
1 85 . 20 1 1 A 11 11 ASN N N 11 118.911 117.021 1.890 1
1 87 . 20 1 1 A 12 12 PRO HA H 12 4.471 4.568 -0.097 1
1 90 . 20 1 1 A 13 13 ASN H H 13 8.316 8.756 -0.440 1
1 91 . 20 1 1 A 13 13 ASN HA H 13 4.813 5.029 -0.216 1
1 96 . 20 1 1 A 13 13 ASN N N 13 118.703 119.140 -0.437 1
1 98 . 20 1 1 A 14 14 LEU H H 14 7.181 7.874 -0.693 1
1 99 . 20 1 1 A 14 14 LEU HA H 14 4.382 4.844 -0.462 1
1 109 . 20 1 1 A 14 14 LEU N N 14 118.890 119.469 -0.579 1
1 110 . 20 1 1 A 15 15 ASP H H 15 8.671 8.642 0.029 1
1 111 . 20 1 1 A 15 15 ASP HA H 15 4.704 4.857 -0.153 1
1 114 . 20 1 1 A 15 15 ASP N N 15 122.145 121.820 0.325 1
1 115 . 20 1 1 A 16 16 GLN H H 16 8.549 8.845 -0.296 1
1 116 . 20 1 1 A 16 16 GLN HA H 16 3.939 3.989 -0.050 1
1 123 . 20 1 1 A 16 16 GLN N N 16 116.429 119.843 -3.414 1
1 125 . 20 1 1 A 17 17 SER H H 17 8.352 8.665 -0.313 1
1 126 . 20 1 1 A 17 17 SER HA H 17 4.316 4.136 0.180 1
1 129 . 20 1 1 A 17 17 SER N N 17 117.102 117.352 -0.250 1
1 130 . 20 1 1 A 18 18 GLN H H 18 8.683 7.833 0.850 1
1 131 . 20 1 1 A 18 18 GLN HA H 18 4.065 4.091 -0.026 1
1 138 . 20 1 1 A 18 18 GLN N N 18 124.500 121.020 3.480 1
1 140 . 20 1 1 A 19 19 LEU H H 19 8.792 8.319 0.473 1
1 141 . 20 1 1 A 19 19 LEU HA H 19 3.793 4.063 -0.270 1
1 148 . 20 1 1 A 19 19 LEU N N 19 121.821 121.910 -0.089 1
1 149 . 20 1 1 A 20 20 ALA H H 20 7.823 7.890 -0.067 1
1 150 . 20 1 1 A 20 20 ALA HA H 20 4.014 3.946 0.068 1
1 154 . 20 1 1 A 20 20 ALA N N 20 120.183 121.060 -0.877 1
1 155 . 20 1 1 A 21 21 LEU H H 21 7.569 7.588 -0.019 1
1 156 . 20 1 1 A 21 21 LEU HA H 21 4.255 3.903 0.352 1
1 166 . 20 1 1 A 21 21 LEU N N 21 119.682 117.027 2.655 1
1 167 . 20 1 1 A 22 22 GLU H H 22 8.076 8.200 -0.124 1
1 168 . 20 1 1 A 22 22 GLU HA H 22 4.146 4.060 0.086 1
1 173 . 20 1 1 A 22 22 GLU N N 22 117.135 121.519 -4.384 1
1 174 . 20 1 1 A 23 23 LYS H H 23 8.400 7.662 0.738 1
1 175 . 20 1 1 A 23 23 LYS HA H 23 3.940 4.088 -0.148 1
1 182 . 20 1 1 A 23 23 LYS N N 23 117.328 119.202 -1.874 1
1 183 . 20 1 1 A 24 24 GLU H H 24 8.002 7.905 0.097 1
1 184 . 20 1 1 A 24 24 GLU HA H 24 4.134 4.158 -0.024 1
1 189 . 20 1 1 A 24 24 GLU N N 24 121.932 118.873 3.059 1
1 190 . 20 1 1 A 25 25 ILE H H 25 8.124 7.724 0.400 1
1 191 . 20 1 1 A 25 25 ILE HA H 25 3.628 3.710 -0.082 1
1 201 . 20 1 1 A 25 25 ILE N N 25 121.791 120.228 1.563 1
1 202 . 20 1 1 A 26 26 ILE H H 26 8.311 8.514 -0.203 1
1 203 . 20 1 1 A 26 26 ILE HA H 26 3.421 3.831 -0.410 1
1 211 . 20 1 1 A 26 26 ILE N N 26 122.094 120.686 1.408 1
1 212 . 20 1 1 A 27 27 GLN H H 27 8.169 7.956 0.213 1
1 213 . 20 1 1 A 27 27 GLN HA H 27 3.769 3.905 -0.136 1
1 220 . 20 1 1 A 27 27 GLN N N 27 118.606 121.271 -2.665 1
1 222 . 20 1 1 A 28 28 ARG H H 28 8.146 7.554 0.592 1
1 223 . 20 1 1 A 28 28 ARG HA H 28 4.125 3.973 0.152 1
1 230 . 20 1 1 A 28 28 ARG N N 28 118.685 119.256 -0.571 1
1 231 . 20 1 1 A 29 29 ALA H H 29 8.176 7.609 0.567 1
1 232 . 20 1 1 A 29 29 ALA HA H 29 4.318 4.095 0.223 1
1 236 . 20 1 1 A 29 29 ALA N N 29 123.579 122.349 1.230 1
1 237 . 20 1 1 A 30 30 LEU H H 30 8.415 8.130 0.285 1
1 238 . 20 1 1 A 30 30 LEU HA H 30 3.774 3.955 -0.181 1
1 248 . 20 1 1 A 30 30 LEU N N 30 116.873 119.497 -2.624 1
1 249 . 20 1 1 A 31 31 GLU H H 31 7.865 8.019 -0.154 1
1 250 . 20 1 1 A 31 31 GLU HA H 31 4.172 4.422 -0.250 1
1 255 . 20 1 1 A 31 31 GLU N N 31 117.422 118.052 -0.630 1
1 256 . 20 1 1 A 32 32 ASN H H 32 8.715 8.180 0.535 1
1 257 . 20 1 1 A 32 32 ASN HA H 32 4.434 4.470 -0.036 1
1 262 . 20 1 1 A 32 32 ASN N N 32 120.768 118.976 1.792 1
1 264 . 20 1 1 A 33 33 TYR H H 33 7.882 8.457 -0.575 1
1 265 . 20 1 1 A 33 33 TYR HA H 33 4.321 4.236 0.085 1
1 272 . 20 1 1 A 33 33 TYR N N 33 117.207 120.044 -2.837 1
1 273 . 20 1 1 A 34 34 GLY H H 34 7.668 7.279 0.389 1
1 274 . 20 1 1 A 34 34 GLY HA2 H 34 3.796 3.530 0.266 1
1 275 . 20 1 1 A 34 34 GLY HA3 H 34 4.037 3.855 0.182 1
1 276 . 20 1 1 A 34 34 GLY N N 34 104.268 107.833 -3.565 1
1 277 . 20 1 1 A 35 35 ALA H H 35 8.373 7.157 1.216 1
1 278 . 20 1 1 A 35 35 ALA HA H 35 4.955 4.459 0.496 1
1 282 . 20 1 1 A 35 35 ALA N N 35 120.534 123.576 -3.042 1
1 283 . 20 1 1 A 36 36 ARG H H 36 9.073 8.798 0.275 1
1 284 . 20 1 1 A 36 36 ARG HA H 36 4.582 4.846 -0.264 1
1 289 . 20 1 1 A 36 36 ARG N N 36 123.245 123.676 -0.431 1
1 290 . 20 1 1 A 37 37 VAL H H 37 9.105 8.470 0.635 1
1 291 . 20 1 1 A 37 37 VAL HA H 37 4.011 4.429 -0.418 1
1 299 . 20 1 1 A 37 37 VAL N N 37 126.869 125.325 1.544 1
1 300 . 20 1 1 A 38 38 GLU H H 38 9.217 8.651 0.566 1
1 301 . 20 1 1 A 38 38 GLU HA H 38 4.395 4.583 -0.188 1
1 306 . 20 1 1 A 38 38 GLU N N 38 129.074 127.454 1.620 1
1 307 . 20 1 1 A 39 39 LYS H H 39 7.822 7.624 0.198 1
1 308 . 20 1 1 A 39 39 LYS HA H 39 4.672 5.062 -0.390 1
1 315 . 20 1 1 A 39 39 LYS N N 39 116.882 120.062 -3.180 1
1 316 . 20 1 1 A 40 40 VAL H H 40 8.412 9.113 -0.701 1
1 317 . 20 1 1 A 40 40 VAL HA H 40 4.892 5.207 -0.315 1
1 325 . 20 1 1 A 40 40 VAL N N 40 121.731 123.676 -1.945 1
1 326 . 20 1 1 A 41 41 GLU H H 41 9.523 9.117 0.406 1
1 327 . 20 1 1 A 41 41 GLU HA H 41 4.688 5.092 -0.404 1
1 332 . 20 1 1 A 41 41 GLU N N 41 126.064 130.595 -4.531 1
1 333 . 20 1 1 A 42 42 GLU H H 42 9.049 8.559 0.490 1
1 334 . 20 1 1 A 42 42 GLU HA H 42 4.658 4.845 -0.187 1
1 339 . 20 1 1 A 42 42 GLU N N 42 126.962 125.018 1.944 1
1 340 . 20 1 1 A 43 43 LEU H H 43 7.887 9.141 -1.254 1
1 341 . 20 1 1 A 43 43 LEU HA H 43 4.252 4.140 0.112 1
1 351 . 20 1 1 A 43 43 LEU N N 43 126.929 125.221 1.708 1
1 352 . 20 1 1 A 44 44 GLY H H 44 7.839 7.725 0.114 1
1 353 . 20 1 1 A 44 44 GLY HA2 H 44 2.380 3.868 -1.488 1
1 354 . 20 1 1 A 44 44 GLY HA3 H 44 3.940 3.908 0.032 1
1 355 . 20 1 1 A 44 44 GLY N N 44 105.145 105.665 -0.520 1
1 356 . 20 1 1 A 45 45 LEU H H 45 8.579 7.453 1.126 1
1 357 . 20 1 1 A 45 45 LEU HA H 45 4.906 4.211 0.695 1
1 367 . 20 1 1 A 45 45 LEU N N 45 122.487 119.839 2.648 1
1 368 . 20 1 1 A 46 46 ARG H H 46 8.899 8.572 0.327 1
1 369 . 20 1 1 A 46 46 ARG HA H 46 4.584 4.613 -0.029 1
1 374 . 20 1 1 A 46 46 ARG N N 46 123.175 120.030 3.145 1
1 375 . 20 1 1 A 47 47 ARG H H 47 8.330 7.933 0.397 1
1 376 . 20 1 1 A 47 47 ARG HA H 47 4.429 4.050 0.379 1
1 381 . 20 1 1 A 47 47 ARG N N 47 120.447 116.155 4.292 1
1 382 . 20 1 1 A 48 48 LEU H H 48 8.348 8.536 -0.188 1
1 383 . 20 1 1 A 48 48 LEU HA H 48 4.458 4.218 0.240 1
1 393 . 20 1 1 A 48 48 LEU N N 48 124.979 123.039 1.940 1
1 394 . 20 1 1 A 49 49 ALA H H 49 7.975 8.885 -0.910 1
1 395 . 20 1 1 A 49 49 ALA HA H 49 4.176 4.634 -0.458 1
1 399 . 20 1 1 A 49 49 ALA N N 49 130.824 125.349 5.475 1
1 400 . 20 1 1 A 50 50 TYR H H 50 8.587 8.919 -0.332 1
1 401 . 20 1 1 A 50 50 TYR HA H 50 4.656 4.209 0.447 1
1 404 . 20 1 1 A 50 50 TYR N N 50 122.514 122.078 0.436 1
1 405 . 20 1 1 A 51 51 PRO HA H 51 4.554 4.655 -0.101 1
1 406 . 20 1 1 A 52 52 ILE H H 52 8.262 8.575 -0.313 1
1 407 . 20 1 1 A 52 52 ILE HA H 52 4.182 4.501 -0.319 1
1 414 . 20 1 1 A 52 52 ILE N N 52 121.932 122.110 -0.178 1
1 415 . 20 1 1 A 53 53 ALA H H 53 8.420 8.578 -0.158 1
1 416 . 20 1 1 A 53 53 ALA HA H 53 4.359 4.477 -0.118 1
1 420 . 20 1 1 A 53 53 ALA N N 53 128.607 127.988 0.619 1
1 421 . 20 1 1 A 54 54 LYS H H 54 8.338 7.984 0.354 1
1 422 . 20 1 1 A 54 54 LYS HA H 54 4.320 4.450 -0.130 1
1 427 . 20 1 1 A 54 54 LYS N N 54 120.865 117.406 3.459 1
1 428 . 20 1 1 A 55 55 ASP H H 55 8.242 8.480 -0.238 1
1 431 . 20 1 1 A 55 55 ASP N N 55 121.940 120.720 1.220 1
1 432 . 20 1 1 A 56 56 PRO HA H 56 4.541 4.578 -0.037 1
1 433 . 20 1 1 A 57 57 GLN H H 57 8.346 8.391 -0.045 1
1 434 . 20 1 1 A 57 57 GLN HA H 57 5.113 4.246 0.867 1
1 441 . 20 1 1 A 57 57 GLN N N 57 119.306 121.273 -1.967 1
1 443 . 20 1 1 A 58 58 GLY H H 58 8.724 8.572 0.152 1
1 444 . 20 1 1 A 58 58 GLY HA2 H 58 3.594 4.173 -0.579 1
1 445 . 20 1 1 A 58 58 GLY HA3 H 58 4.313 4.191 0.122 1
1 446 . 20 1 1 A 58 58 GLY N N 58 103.688 111.185 -7.497 1
1 447 . 20 1 1 A 59 59 TYR H H 59 8.941 8.559 0.382 1
1 448 . 20 1 1 A 59 59 TYR HA H 59 4.741 5.238 -0.497 1
1 453 . 20 1 1 A 59 59 TYR N N 59 123.537 122.112 1.425 1
1 454 . 20 1 1 A 60 60 PHE H H 60 9.215 8.986 0.229 1
1 455 . 20 1 1 A 60 60 PHE HA H 60 5.054 5.368 -0.314 1
1 460 . 20 1 1 A 60 60 PHE N N 60 130.526 129.953 0.573 1
1 461 . 20 1 1 A 61 61 LEU H H 61 9.388 9.162 0.226 1
1 462 . 20 1 1 A 61 61 LEU HA H 61 5.047 4.749 0.298 1
1 472 . 20 1 1 A 61 61 LEU N N 61 123.595 121.792 1.803 1
1 473 . 20 1 1 A 62 62 TRP H H 62 8.752 8.306 0.446 1
1 474 . 20 1 1 A 62 62 TRP HA H 62 5.554 5.176 0.378 1
1 481 . 20 1 1 A 62 62 TRP N N 62 125.081 124.846 0.235 1
1 483 . 20 1 1 A 63 63 TYR H H 63 8.592 8.515 0.077 1
1 484 . 20 1 1 A 63 63 TYR HA H 63 4.972 4.873 0.099 1
1 491 . 20 1 1 A 63 63 TYR N N 63 123.346 126.826 -3.480 1
1 492 . 20 1 1 A 64 64 GLN H H 64 8.604 8.539 0.065 1
1 493 . 20 1 1 A 64 64 GLN HA H 64 4.866 4.695 0.171 1
1 500 . 20 1 1 A 64 64 GLN N N 64 123.079 121.416 1.663 1
1 502 . 20 1 1 A 65 65 VAL H H 65 9.204 8.971 0.233 1
1 503 . 20 1 1 A 65 65 VAL HA H 65 5.672 4.864 0.808 1
1 511 . 20 1 1 A 65 65 VAL N N 65 119.156 118.086 1.070 1
1 512 . 20 1 1 A 66 66 GLU H H 66 8.635 8.966 -0.331 1
1 513 . 20 1 1 A 66 66 GLU HA H 66 5.333 4.775 0.558 1
1 518 . 20 1 1 A 66 66 GLU N N 66 121.502 122.751 -1.249 1
1 519 . 20 1 1 A 67 67 MET H H 67 9.480 8.133 1.347 1
1 520 . 20 1 1 A 67 67 MET N N 67 122.258 122.757 -0.499 1
1 521 . 20 1 1 A 68 68 PRO HA H 68 4.562 4.644 -0.082 1
1 522 . 20 1 1 A 69 69 GLU H H 69 10.059 8.587 1.472 1
1 523 . 20 1 1 A 69 69 GLU HA H 69 4.442 3.845 0.597 1
1 528 . 20 1 1 A 69 69 GLU N N 69 126.845 122.143 4.702 1
1 529 . 20 1 1 A 70 70 ASP H H 70 8.763 8.048 0.715 1
1 530 . 20 1 1 A 70 70 ASP HA H 70 4.568 4.349 0.219 1
1 533 . 20 1 1 A 70 70 ASP N N 70 115.710 121.389 -5.679 1
1 534 . 20 1 1 A 71 71 ARG H H 71 7.679 7.754 -0.075 1
1 535 . 20 1 1 A 71 71 ARG HA H 71 4.853 4.251 0.602 1
1 536 . 20 1 1 A 71 71 ARG N N 71 116.513 118.571 -2.058 1
1 537 . 20 1 1 A 72 72 VAL H H 72 6.949 7.720 -0.771 1
1 538 . 20 1 1 A 72 72 VAL HA H 72 3.287 3.675 -0.388 1
1 546 . 20 1 1 A 72 72 VAL N N 72 119.962 119.930 0.032 1
1 547 . 20 1 1 A 73 73 ASN H H 73 8.292 8.194 0.098 1
1 548 . 20 1 1 A 73 73 ASN HA H 73 4.378 4.433 -0.055 1
1 553 . 20 1 1 A 73 73 ASN N N 73 117.910 119.396 -1.486 1
1 555 . 20 1 1 A 74 74 ASP H H 74 7.985 8.266 -0.281 1
1 556 . 20 1 1 A 74 74 ASP HA H 74 4.325 4.314 0.011 1
1 559 . 20 1 1 A 74 74 ASP N N 74 121.962 119.525 2.437 1
1 560 . 20 1 1 A 75 75 LEU H H 75 7.519 7.931 -0.412 1
1 561 . 20 1 1 A 75 75 LEU HA H 75 3.060 4.015 -0.955 1
1 570 . 20 1 1 A 75 75 LEU N N 75 122.206 119.515 2.691 1
1 571 . 20 1 1 A 76 76 ALA H H 76 7.936 7.962 -0.026 1
1 572 . 20 1 1 A 76 76 ALA HA H 76 3.582 3.984 -0.402 1
1 576 . 20 1 1 A 76 76 ALA N N 76 119.529 122.189 -2.660 1
1 577 . 20 1 1 A 77 77 ARG H H 77 7.619 7.969 -0.350 1
1 578 . 20 1 1 A 77 77 ARG HA H 77 3.852 4.069 -0.217 1
1 585 . 20 1 1 A 77 77 ARG N N 77 115.626 117.892 -2.266 1
1 586 . 20 1 1 A 78 78 GLU H H 78 7.739 7.690 0.049 1
1 587 . 20 1 1 A 78 78 GLU HA H 78 4.000 4.095 -0.095 1
1 592 . 20 1 1 A 78 78 GLU N N 78 119.427 119.777 -0.350 1
1 593 . 20 1 1 A 79 79 LEU H H 79 8.183 8.361 -0.178 1
1 594 . 20 1 1 A 79 79 LEU HA H 79 4.033 3.944 0.089 1
1 603 . 20 1 1 A 79 79 LEU N N 79 117.433 120.365 -2.932 1
1 604 . 20 1 1 A 80 80 ARG H H 80 7.546 7.925 -0.379 1
1 605 . 20 1 1 A 80 80 ARG HA H 80 3.960 4.046 -0.086 1
1 610 . 20 1 1 A 80 80 ARG N N 80 113.295 118.485 -5.190 1
1 611 . 20 1 1 A 81 81 ILE H H 81 7.280 7.280 0.000 1
1 612 . 20 1 1 A 81 81 ILE HA H 81 3.987 4.122 -0.135 1
1 622 . 20 1 1 A 81 81 ILE N N 81 115.559 117.789 -2.230 1
1 623 . 20 1 1 A 82 82 ARG H H 82 6.846 7.365 -0.519 1
1 624 . 20 1 1 A 82 82 ARG HA H 82 4.231 4.283 -0.052 1
1 631 . 20 1 1 A 82 82 ARG N N 82 119.695 123.673 -3.978 1
1 632 . 20 1 1 A 83 83 ASP H H 83 8.502 8.870 -0.368 1
1 633 . 20 1 1 A 83 83 ASP HA H 83 4.346 4.324 0.022 1
1 636 . 20 1 1 A 83 83 ASP N N 83 123.697 124.667 -0.970 1
1 637 . 20 1 1 A 84 84 ASN H H 84 8.883 8.241 0.642 1
1 638 . 20 1 1 A 84 84 ASN HA H 84 4.822 4.563 0.259 1
1 643 . 20 1 1 A 84 84 ASN N N 84 112.236 116.100 -3.864 1
1 645 . 20 1 1 A 85 85 VAL H H 85 7.800 7.623 0.177 1
1 646 . 20 1 1 A 85 85 VAL HA H 85 4.048 4.157 -0.109 1
1 654 . 20 1 1 A 85 85 VAL N N 85 122.112 118.851 3.261 1
1 655 . 20 1 1 A 86 86 ARG H H 86 9.285 8.628 0.657 1
1 656 . 20 1 1 A 86 86 ARG HA H 86 4.432 4.418 0.014 1
1 657 . 20 1 1 A 86 86 ARG N N 86 126.445 129.225 -2.780 1
1 658 . 20 1 1 A 87 87 ARG H H 87 7.671 7.675 -0.004 1
1 659 . 20 1 1 A 87 87 ARG HA H 87 4.556 4.913 -0.357 1
1 666 . 20 1 1 A 87 87 ARG N N 87 116.855 116.772 0.083 1
1 667 . 20 1 1 A 88 88 VAL H H 88 8.904 8.551 0.353 1
1 668 . 20 1 1 A 88 88 VAL HA H 88 4.834 4.860 -0.026 1
1 676 . 20 1 1 A 88 88 VAL N N 88 123.751 121.029 2.722 1
1 677 . 20 1 1 A 89 89 MET H H 89 9.119 8.788 0.331 1
1 678 . 20 1 1 A 89 89 MET HA H 89 4.869 5.260 -0.391 1
1 683 . 20 1 1 A 89 89 MET N N 89 127.251 126.459 0.792 1
1 684 . 20 1 1 A 90 90 VAL H H 90 9.007 9.072 -0.065 1
1 685 . 20 1 1 A 90 90 VAL HA H 90 4.962 4.825 0.137 1
1 693 . 20 1 1 A 90 90 VAL N N 90 127.769 125.696 2.073 1
1 694 . 20 1 1 A 91 91 VAL H H 91 9.195 9.034 0.161 1
1 695 . 20 1 1 A 91 91 VAL HA H 91 4.660 4.933 -0.273 1
1 703 . 20 1 1 A 91 91 VAL N N 91 126.267 122.090 4.177 1
1 704 . 20 1 1 A 92 92 LYS H H 92 8.914 8.695 0.219 1
1 705 . 20 1 1 A 92 92 LYS HA H 92 4.124 4.870 -0.746 1
1 712 . 20 1 1 A 92 92 LYS N N 92 126.996 125.534 1.462 1
1 713 . 20 1 1 A 93 93 SER H H 93 8.046 8.847 -0.801 1
1 714 . 20 1 1 A 93 93 SER HA H 93 4.396 5.199 -0.803 1
1 717 . 20 1 1 A 93 93 SER N N 93 120.732 117.001 3.731 1
1 718 . 20 1 1 A 94 94 GLN H H 94 8.806 8.975 -0.169 1
1 719 . 20 1 1 A 94 94 GLN HA H 94 4.316 5.012 -0.696 1
1 726 . 20 1 1 A 94 94 GLN N N 94 124.100 118.843 5.257 1
1 728 . 20 1 1 A 95 95 GLU H H 95 8.481 8.690 -0.209 1
1 729 . 20 1 1 A 95 95 GLU HA H 95 4.579 4.447 0.132 1
1 734 . 20 1 1 A 95 95 GLU N N 95 124.145 121.511 2.634 1
1 735 . 20 1 1 A 96 96 PRO HA H 96 4.408 4.678 -0.270 1
1 742 . 20 1 1 A 97 97 PHE H H 97 8.234 9.129 -0.895 1
1 743 . 20 1 1 A 97 97 PHE HA H 97 4.647 4.855 -0.208 1
1 748 . 20 1 1 A 97 97 PHE N N 97 120.145 122.685 -2.540 1
1 749 . 20 1 1 A 98 98 LEU H H 98 8.115 8.262 -0.147 1
1 750 . 20 1 1 A 98 98 LEU HA H 98 4.368 3.956 0.412 1
1 759 . 20 1 1 A 98 98 LEU N N 98 125.838 126.360 -0.522 1
1 760 . 20 1 1 A 99 99 ALA H H 99 7.765 8.807 -1.042 1
1 761 . 20 1 1 A 99 99 ALA HA H 99 4.074 4.902 -0.828 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 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 0 0.000 1
3 1 1 1 "RMS(OBS, PRED)" CB 0 0.000 1
4 1 1 1 "RMS(OBS, PRED)" H 93 0.496 1
5 1 1 1 "RMS(OBS, PRED)" HA 98 0.352 1
6 1 1 1 "RMS(OBS, PRED)" N 92 2.417 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 0 0.000 1
9 1 2 1 "RMS(OBS, PRED)" CB 0 0.000 1
10 1 2 1 "RMS(OBS, PRED)" H 93 0.520 1
11 1 2 1 "RMS(OBS, PRED)" HA 98 0.354 1
12 1 2 1 "RMS(OBS, PRED)" N 92 2.934 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 0 0.000 1
15 1 3 1 "RMS(OBS, PRED)" CB 0 0.000 1
16 1 3 1 "RMS(OBS, PRED)" H 93 0.510 1
17 1 3 1 "RMS(OBS, PRED)" HA 98 0.353 1
18 1 3 1 "RMS(OBS, PRED)" N 92 2.963 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 0 0.000 1
21 1 4 1 "RMS(OBS, PRED)" CB 0 0.000 1
22 1 4 1 "RMS(OBS, PRED)" H 93 0.516 1
23 1 4 1 "RMS(OBS, PRED)" HA 98 0.336 1
24 1 4 1 "RMS(OBS, PRED)" N 92 2.594 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 0 0.000 1
27 1 5 1 "RMS(OBS, PRED)" CB 0 0.000 1
28 1 5 1 "RMS(OBS, PRED)" H 93 0.526 1
29 1 5 1 "RMS(OBS, PRED)" HA 98 0.359 1
30 1 5 1 "RMS(OBS, PRED)" N 92 2.667 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 0 0.000 1
33 1 6 1 "RMS(OBS, PRED)" CB 0 0.000 1
34 1 6 1 "RMS(OBS, PRED)" H 93 0.547 1
35 1 6 1 "RMS(OBS, PRED)" HA 98 0.363 1
36 1 6 1 "RMS(OBS, PRED)" N 92 2.705 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 0 0.000 1
39 1 7 1 "RMS(OBS, PRED)" CB 0 0.000 1
40 1 7 1 "RMS(OBS, PRED)" H 93 0.499 1
41 1 7 1 "RMS(OBS, PRED)" HA 98 0.354 1
42 1 7 1 "RMS(OBS, PRED)" N 92 3.024 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 0 0.000 1
45 1 8 1 "RMS(OBS, PRED)" CB 0 0.000 1
46 1 8 1 "RMS(OBS, PRED)" H 93 0.495 1
47 1 8 1 "RMS(OBS, PRED)" HA 98 0.352 1
48 1 8 1 "RMS(OBS, PRED)" N 92 2.608 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 0 0.000 1
51 1 9 1 "RMS(OBS, PRED)" CB 0 0.000 1
52 1 9 1 "RMS(OBS, PRED)" H 93 0.569 1
53 1 9 1 "RMS(OBS, PRED)" HA 98 0.380 1
54 1 9 1 "RMS(OBS, PRED)" N 92 2.494 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 0 0.000 1
57 1 10 1 "RMS(OBS, PRED)" CB 0 0.000 1
58 1 10 1 "RMS(OBS, PRED)" H 93 0.504 1
59 1 10 1 "RMS(OBS, PRED)" HA 98 0.359 1
60 1 10 1 "RMS(OBS, PRED)" N 92 2.732 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 0 0.000 1
63 1 11 1 "RMS(OBS, PRED)" CB 0 0.000 1
64 1 11 1 "RMS(OBS, PRED)" H 93 0.497 1
65 1 11 1 "RMS(OBS, PRED)" HA 98 0.343 1
66 1 11 1 "RMS(OBS, PRED)" N 92 2.945 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 0 0.000 1
69 1 12 1 "RMS(OBS, PRED)" CB 0 0.000 1
70 1 12 1 "RMS(OBS, PRED)" H 93 0.519 1
71 1 12 1 "RMS(OBS, PRED)" HA 98 0.354 1
72 1 12 1 "RMS(OBS, PRED)" N 92 2.696 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 0 0.000 1
75 1 13 1 "RMS(OBS, PRED)" CB 0 0.000 1
76 1 13 1 "RMS(OBS, PRED)" H 93 0.507 1
77 1 13 1 "RMS(OBS, PRED)" HA 98 0.362 1
78 1 13 1 "RMS(OBS, PRED)" N 92 2.782 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 0 0.000 1
81 1 14 1 "RMS(OBS, PRED)" CB 0 0.000 1
82 1 14 1 "RMS(OBS, PRED)" H 93 0.506 1
83 1 14 1 "RMS(OBS, PRED)" HA 98 0.363 1
84 1 14 1 "RMS(OBS, PRED)" N 92 2.878 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 0 0.000 1
87 1 15 1 "RMS(OBS, PRED)" CB 0 0.000 1
88 1 15 1 "RMS(OBS, PRED)" H 93 0.542 1
89 1 15 1 "RMS(OBS, PRED)" HA 98 0.379 1
90 1 15 1 "RMS(OBS, PRED)" N 92 2.798 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 0 0.000 1
93 1 16 1 "RMS(OBS, PRED)" CB 0 0.000 1
94 1 16 1 "RMS(OBS, PRED)" H 93 0.550 1
95 1 16 1 "RMS(OBS, PRED)" HA 98 0.374 1
96 1 16 1 "RMS(OBS, PRED)" N 92 2.659 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 0 0.000 1
99 1 17 1 "RMS(OBS, PRED)" CB 0 0.000 1
100 1 17 1 "RMS(OBS, PRED)" H 93 0.501 1
101 1 17 1 "RMS(OBS, PRED)" HA 98 0.377 1
102 1 17 1 "RMS(OBS, PRED)" N 92 2.910 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 0 0.000 1
105 1 18 1 "RMS(OBS, PRED)" CB 0 0.000 1
106 1 18 1 "RMS(OBS, PRED)" H 93 0.551 1
107 1 18 1 "RMS(OBS, PRED)" HA 98 0.352 1
108 1 18 1 "RMS(OBS, PRED)" N 92 2.885 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 0 0.000 1
111 1 19 1 "RMS(OBS, PRED)" CB 0 0.000 1
112 1 19 1 "RMS(OBS, PRED)" H 93 0.544 1
113 1 19 1 "RMS(OBS, PRED)" HA 98 0.356 1
114 1 19 1 "RMS(OBS, PRED)" N 92 2.735 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 0 0.000 1
117 1 20 1 "RMS(OBS, PRED)" CB 0 0.000 1
118 1 20 1 "RMS(OBS, PRED)" H 93 0.543 1
119 1 20 1 "RMS(OBS, PRED)" HA 98 0.385 1
120 1 20 1 "RMS(OBS, PRED)" N 92 2.663 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 2 . 1 1 A 2 2 ARG H H 2 8.836 7.846 0.990 2
1 3 . 1 1 A 2 2 ARG HA H 2 4.715 4.741 -0.026 2
1 5 . 1 1 A 2 2 ARG N N 2 122.718 119.439 3.279 2
1 6 . 1 1 A 3 3 ARG H H 3 8.145 8.287 -0.142 2
1 7 . 1 1 A 3 3 ARG HA H 3 5.354 5.413 -0.059 2
1 11 . 1 1 A 3 3 ARG N N 3 121.051 120.539 0.512 2
1 12 . 1 1 A 4 4 TYR H H 4 9.186 9.002 0.184 2
1 13 . 1 1 A 4 4 TYR HA H 4 5.061 5.127 -0.066 2
1 20 . 1 1 A 4 4 TYR N N 4 122.362 121.167 1.195 2
1 21 . 1 1 A 5 5 GLU H H 5 9.357 8.751 0.606 2
1 22 . 1 1 A 5 5 GLU HA H 5 5.006 4.952 0.054 2
1 27 . 1 1 A 5 5 GLU N N 5 119.338 120.165 -0.827 2
1 28 . 1 1 A 6 6 VAL H H 6 9.387 8.672 0.715 2
1 29 . 1 1 A 6 6 VAL HA H 6 4.481 4.631 -0.150 2
1 37 . 1 1 A 6 6 VAL N N 6 124.463 123.862 0.601 2
1 38 . 1 1 A 7 7 ASN H H 7 9.059 8.967 0.092 2
1 39 . 1 1 A 7 7 ASN HA H 7 5.550 5.185 0.365 2
1 44 . 1 1 A 7 7 ASN N N 7 125.802 126.344 -0.542 2
1 46 . 1 1 A 8 8 ILE H H 8 9.108 8.873 0.235 2
1 47 . 1 1 A 8 8 ILE HA H 8 4.851 4.826 0.025 2
1 57 . 1 1 A 8 8 ILE N N 8 125.010 125.560 -0.550 2
1 58 . 1 1 A 9 9 VAL H H 9 8.669 9.011 -0.342 2
1 59 . 1 1 A 9 9 VAL HA H 9 4.518 4.982 -0.464 2
1 67 . 1 1 A 9 9 VAL N N 9 125.755 127.643 -1.888 2
1 68 . 1 1 A 10 10 LEU H H 10 9.855 9.028 0.827 2
1 69 . 1 1 A 10 10 LEU HA H 10 5.341 5.225 0.116 2
1 79 . 1 1 A 10 10 LEU N N 10 127.024 127.189 -0.165 2
1 80 . 1 1 A 11 11 ASN H H 11 8.316 8.655 -0.339 2
1 85 . 1 1 A 11 11 ASN N N 11 118.911 119.143 -0.232 2
1 87 . 1 1 A 12 12 PRO HA H 12 4.471 4.631 -0.160 2
1 90 . 1 1 A 13 13 ASN H H 13 8.316 8.270 0.046 2
1 91 . 1 1 A 13 13 ASN HA H 13 4.813 4.726 0.087 2
1 96 . 1 1 A 13 13 ASN N N 13 118.703 119.417 -0.714 2
1 98 . 1 1 A 14 14 LEU H H 14 7.181 7.579 -0.398 2
1 99 . 1 1 A 14 14 LEU HA H 14 4.382 4.392 -0.010 2
1 109 . 1 1 A 14 14 LEU N N 14 118.890 119.899 -1.009 2
1 110 . 1 1 A 15 15 ASP H H 15 8.671 8.602 0.069 2
1 111 . 1 1 A 15 15 ASP HA H 15 4.704 4.855 -0.151 2
1 114 . 1 1 A 15 15 ASP N N 15 122.145 120.920 1.225 2
1 115 . 1 1 A 16 16 GLN H H 16 8.549 8.716 -0.167 2
1 116 . 1 1 A 16 16 GLN HA H 16 3.939 3.945 -0.006 2
1 123 . 1 1 A 16 16 GLN N N 16 116.429 118.978 -2.549 2
1 125 . 1 1 A 17 17 SER H H 17 8.352 8.146 0.206 2
1 126 . 1 1 A 17 17 SER HA H 17 4.316 4.137 0.179 2
1 129 . 1 1 A 17 17 SER N N 17 117.102 115.576 1.526 2
1 130 . 1 1 A 18 18 GLN H H 18 8.683 8.653 0.030 2
1 131 . 1 1 A 18 18 GLN HA H 18 4.065 4.072 -0.007 2
1 138 . 1 1 A 18 18 GLN N N 18 124.500 121.451 3.049 2
1 140 . 1 1 A 19 19 LEU H H 19 8.792 8.165 0.627 2
1 141 . 1 1 A 19 19 LEU HA H 19 3.793 4.104 -0.311 2
1 148 . 1 1 A 19 19 LEU N N 19 121.821 121.892 -0.071 2
1 149 . 1 1 A 20 20 ALA H H 20 7.823 8.376 -0.553 2
1 150 . 1 1 A 20 20 ALA HA H 20 4.014 4.003 0.011 2
1 154 . 1 1 A 20 20 ALA N N 20 120.183 120.773 -0.590 2
1 155 . 1 1 A 21 21 LEU H H 21 7.569 7.519 0.050 2
1 156 . 1 1 A 21 21 LEU HA H 21 4.255 3.915 0.340 2
1 166 . 1 1 A 21 21 LEU N N 21 119.682 117.121 2.561 2
1 167 . 1 1 A 22 22 GLU H H 22 8.076 8.227 -0.151 2
1 168 . 1 1 A 22 22 GLU HA H 22 4.146 4.020 0.126 2
1 173 . 1 1 A 22 22 GLU N N 22 117.135 120.960 -3.824 2
1 174 . 1 1 A 23 23 LYS H H 23 8.400 7.586 0.814 2
1 175 . 1 1 A 23 23 LYS HA H 23 3.940 4.031 -0.091 2
1 182 . 1 1 A 23 23 LYS N N 23 117.328 119.701 -2.373 2
1 183 . 1 1 A 24 24 GLU H H 24 8.002 7.731 0.271 2
1 184 . 1 1 A 24 24 GLU HA H 24 4.134 4.111 0.023 2
1 189 . 1 1 A 24 24 GLU N N 24 121.932 119.268 2.664 2
1 190 . 1 1 A 25 25 ILE H H 25 8.124 7.708 0.416 2
1 191 . 1 1 A 25 25 ILE HA H 25 3.628 3.702 -0.074 2
1 201 . 1 1 A 25 25 ILE N N 25 121.791 119.907 1.884 2
1 202 . 1 1 A 26 26 ILE H H 26 8.311 8.329 -0.018 2
1 203 . 1 1 A 26 26 ILE HA H 26 3.421 3.557 -0.136 2
1 211 . 1 1 A 26 26 ILE N N 26 122.094 121.229 0.865 2
1 212 . 1 1 A 27 27 GLN H H 27 8.169 7.954 0.215 2
1 213 . 1 1 A 27 27 GLN HA H 27 3.769 3.908 -0.139 2
1 220 . 1 1 A 27 27 GLN N N 27 118.606 119.532 -0.926 2
1 222 . 1 1 A 28 28 ARG H H 28 8.146 7.831 0.315 2
1 223 . 1 1 A 28 28 ARG HA H 28 4.125 4.025 0.100 2
1 230 . 1 1 A 28 28 ARG N N 28 118.685 119.113 -0.428 2
1 231 . 1 1 A 29 29 ALA H H 29 8.176 7.917 0.259 2
1 232 . 1 1 A 29 29 ALA HA H 29 4.318 4.082 0.236 2
1 236 . 1 1 A 29 29 ALA N N 29 123.579 122.208 1.371 2
1 237 . 1 1 A 30 30 LEU H H 30 8.415 7.926 0.489 2
1 238 . 1 1 A 30 30 LEU HA H 30 3.774 3.913 -0.139 2
1 248 . 1 1 A 30 30 LEU N N 30 116.873 118.451 -1.578 2
1 249 . 1 1 A 31 31 GLU H H 31 7.865 7.940 -0.075 2
1 250 . 1 1 A 31 31 GLU HA H 31 4.172 4.033 0.139 2
1 255 . 1 1 A 31 31 GLU N N 31 117.422 119.008 -1.586 2
1 256 . 1 1 A 32 32 ASN H H 32 8.715 8.179 0.536 2
1 257 . 1 1 A 32 32 ASN HA H 32 4.434 4.470 -0.036 2
1 262 . 1 1 A 32 32 ASN N N 32 120.768 118.340 2.428 2
1 264 . 1 1 A 33 33 TYR H H 33 7.882 7.820 0.062 2
1 265 . 1 1 A 33 33 TYR HA H 33 4.321 4.506 -0.185 2
1 272 . 1 1 A 33 33 TYR N N 33 117.207 118.783 -1.576 2
1 273 . 1 1 A 34 34 GLY H H 34 7.668 8.257 -0.589 2
1 274 . 1 1 A 34 34 GLY HA2 H 34 3.796 3.859 -0.063 2
1 275 . 1 1 A 34 34 GLY HA3 H 34 4.037 3.939 0.098 2
1 276 . 1 1 A 34 34 GLY N N 34 104.268 108.424 -4.156 2
1 277 . 1 1 A 35 35 ALA H H 35 8.373 8.025 0.348 2
1 278 . 1 1 A 35 35 ALA HA H 35 4.955 4.662 0.293 2
1 282 . 1 1 A 35 35 ALA N N 35 120.534 122.943 -2.409 2
1 283 . 1 1 A 36 36 ARG H H 36 9.073 8.852 0.221 2
1 284 . 1 1 A 36 36 ARG HA H 36 4.582 4.944 -0.362 2
1 289 . 1 1 A 36 36 ARG N N 36 123.245 122.498 0.747 2
1 290 . 1 1 A 37 37 VAL H H 37 9.105 8.782 0.323 2
1 291 . 1 1 A 37 37 VAL HA H 37 4.011 4.563 -0.552 2
1 299 . 1 1 A 37 37 VAL N N 37 126.869 123.919 2.950 2
1 300 . 1 1 A 38 38 GLU H H 38 9.217 9.190 0.027 2
1 301 . 1 1 A 38 38 GLU HA H 38 4.395 4.457 -0.062 2
1 306 . 1 1 A 38 38 GLU N N 38 129.074 128.109 0.965 2
1 307 . 1 1 A 39 39 LYS H H 39 7.822 7.601 0.221 2
1 308 . 1 1 A 39 39 LYS HA H 39 4.672 4.860 -0.188 2
1 315 . 1 1 A 39 39 LYS N N 39 116.882 118.069 -1.187 2
1 316 . 1 1 A 40 40 VAL H H 40 8.412 8.843 -0.431 2
1 317 . 1 1 A 40 40 VAL HA H 40 4.892 4.762 0.130 2
1 325 . 1 1 A 40 40 VAL N N 40 121.731 122.064 -0.333 2
1 326 . 1 1 A 41 41 GLU H H 41 9.523 8.841 0.682 2
1 327 . 1 1 A 41 41 GLU HA H 41 4.688 4.914 -0.226 2
1 332 . 1 1 A 41 41 GLU N N 41 126.064 128.354 -2.290 2
1 333 . 1 1 A 42 42 GLU H H 42 9.049 8.738 0.311 2
1 334 . 1 1 A 42 42 GLU HA H 42 4.658 4.662 -0.004 2
1 339 . 1 1 A 42 42 GLU N N 42 126.962 124.935 2.027 2
1 340 . 1 1 A 43 43 LEU H H 43 7.887 8.919 -1.032 2
1 341 . 1 1 A 43 43 LEU HA H 43 4.252 4.391 -0.139 2
1 351 . 1 1 A 43 43 LEU N N 43 126.929 124.399 2.530 2
1 352 . 1 1 A 44 44 GLY H H 44 7.839 7.957 -0.118 2
1 353 . 1 1 A 44 44 GLY HA2 H 44 2.380 3.968 -1.588 2
1 354 . 1 1 A 44 44 GLY HA3 H 44 3.940 4.033 -0.093 2
1 355 . 1 1 A 44 44 GLY N N 44 105.145 107.544 -2.399 2
1 356 . 1 1 A 45 45 LEU H H 45 8.579 8.130 0.449 2
1 357 . 1 1 A 45 45 LEU HA H 45 4.906 4.263 0.643 2
1 367 . 1 1 A 45 45 LEU N N 45 122.487 121.060 1.427 2
1 368 . 1 1 A 46 46 ARG H H 46 8.899 8.474 0.425 2
1 369 . 1 1 A 46 46 ARG HA H 46 4.584 4.588 -0.004 2
1 374 . 1 1 A 46 46 ARG N N 46 123.175 121.205 1.970 2
1 375 . 1 1 A 47 47 ARG H H 47 8.330 8.295 0.035 2
1 376 . 1 1 A 47 47 ARG HA H 47 4.429 4.444 -0.015 2
1 381 . 1 1 A 47 47 ARG N N 47 120.447 120.806 -0.359 2
1 382 . 1 1 A 48 48 LEU H H 48 8.348 8.322 0.026 2
1 383 . 1 1 A 48 48 LEU HA H 48 4.458 4.391 0.067 2
1 393 . 1 1 A 48 48 LEU N N 48 124.979 122.503 2.476 2
1 394 . 1 1 A 49 49 ALA H H 49 7.975 8.570 -0.595 2
1 395 . 1 1 A 49 49 ALA HA H 49 4.176 4.548 -0.372 2
1 399 . 1 1 A 49 49 ALA N N 49 130.824 125.667 5.157 2
1 400 . 1 1 A 50 50 TYR H H 50 8.587 8.854 -0.267 2
1 401 . 1 1 A 50 50 TYR HA H 50 4.656 4.348 0.308 2
1 404 . 1 1 A 50 50 TYR N N 50 122.514 119.267 3.247 2
1 405 . 1 1 A 51 51 PRO HA H 51 4.554 4.547 0.007 2
1 406 . 1 1 A 52 52 ILE H H 52 8.262 8.520 -0.258 2
1 407 . 1 1 A 52 52 ILE HA H 52 4.182 4.370 -0.188 2
1 414 . 1 1 A 52 52 ILE N N 52 121.932 122.427 -0.495 2
1 415 . 1 1 A 53 53 ALA H H 53 8.420 8.627 -0.207 2
1 416 . 1 1 A 53 53 ALA HA H 53 4.359 4.157 0.202 2
1 420 . 1 1 A 53 53 ALA N N 53 128.607 127.347 1.259 2
1 421 . 1 1 A 54 54 LYS H H 54 8.338 8.302 0.036 2
1 422 . 1 1 A 54 54 LYS HA H 54 4.320 4.287 0.033 2
1 427 . 1 1 A 54 54 LYS N N 54 120.865 117.869 2.996 2
1 428 . 1 1 A 55 55 ASP H H 55 8.242 8.138 0.104 2
1 431 . 1 1 A 55 55 ASP N N 55 121.940 121.192 0.748 2
1 432 . 1 1 A 56 56 PRO HA H 56 4.541 4.641 -0.100 2
1 433 . 1 1 A 57 57 GLN H H 57 8.346 8.374 -0.028 2
1 434 . 1 1 A 57 57 GLN HA H 57 5.113 4.513 0.600 2
1 441 . 1 1 A 57 57 GLN N N 57 119.306 118.922 0.384 2
1 443 . 1 1 A 58 58 GLY H H 58 8.724 8.274 0.450 2
1 444 . 1 1 A 58 58 GLY HA2 H 58 3.594 4.154 -0.560 2
1 445 . 1 1 A 58 58 GLY HA3 H 58 4.313 4.218 0.095 2
1 446 . 1 1 A 58 58 GLY N N 58 103.688 107.799 -4.111 2
1 447 . 1 1 A 59 59 TYR H H 59 8.941 8.587 0.354 2
1 448 . 1 1 A 59 59 TYR HA H 59 4.741 5.211 -0.470 2
1 453 . 1 1 A 59 59 TYR N N 59 123.537 122.402 1.135 2
1 454 . 1 1 A 60 60 PHE H H 60 9.215 9.093 0.122 2
1 455 . 1 1 A 60 60 PHE HA H 60 5.054 5.319 -0.265 2
1 460 . 1 1 A 60 60 PHE N N 60 130.526 126.361 4.165 2
1 461 . 1 1 A 61 61 LEU H H 61 9.388 9.008 0.380 2
1 462 . 1 1 A 61 61 LEU HA H 61 5.047 5.168 -0.121 2
1 472 . 1 1 A 61 61 LEU N N 61 123.595 122.317 1.278 2
1 473 . 1 1 A 62 62 TRP H H 62 8.752 8.611 0.141 2
1 474 . 1 1 A 62 62 TRP HA H 62 5.554 5.475 0.079 2
1 481 . 1 1 A 62 62 TRP N N 62 125.081 125.235 -0.154 2
1 483 . 1 1 A 63 63 TYR H H 63 8.592 8.649 -0.057 2
1 484 . 1 1 A 63 63 TYR HA H 63 4.972 5.177 -0.205 2
1 491 . 1 1 A 63 63 TYR N N 63 123.346 124.791 -1.445 2
1 492 . 1 1 A 64 64 GLN H H 64 8.604 8.612 -0.008 2
1 493 . 1 1 A 64 64 GLN HA H 64 4.866 4.659 0.207 2
1 500 . 1 1 A 64 64 GLN N N 64 123.079 120.968 2.111 2
1 502 . 1 1 A 65 65 VAL H H 65 9.204 8.862 0.342 2
1 503 . 1 1 A 65 65 VAL HA H 65 5.672 5.239 0.433 2
1 511 . 1 1 A 65 65 VAL N N 65 119.156 118.113 1.043 2
1 512 . 1 1 A 66 66 GLU H H 66 8.635 8.722 -0.087 2
1 513 . 1 1 A 66 66 GLU HA H 66 5.333 4.971 0.362 2
1 518 . 1 1 A 66 66 GLU N N 66 121.502 121.646 -0.144 2
1 519 . 1 1 A 67 67 MET H H 67 9.480 8.065 1.415 2
1 520 . 1 1 A 67 67 MET N N 67 122.258 121.985 0.273 2
1 521 . 1 1 A 68 68 PRO HA H 68 4.562 4.604 -0.042 2
1 522 . 1 1 A 69 69 GLU H H 69 10.059 8.733 1.326 2
1 523 . 1 1 A 69 69 GLU HA H 69 4.442 3.879 0.563 2
1 528 . 1 1 A 69 69 GLU N N 69 126.845 121.975 4.870 2
1 529 . 1 1 A 70 70 ASP H H 70 8.763 8.206 0.557 2
1 530 . 1 1 A 70 70 ASP HA H 70 4.568 4.400 0.168 2
1 533 . 1 1 A 70 70 ASP N N 70 115.710 120.116 -4.406 2
1 534 . 1 1 A 71 71 ARG H H 71 7.679 7.823 -0.144 2
1 535 . 1 1 A 71 71 ARG HA H 71 4.853 4.160 0.693 2
1 536 . 1 1 A 71 71 ARG N N 71 116.513 119.145 -2.632 2
1 537 . 1 1 A 72 72 VAL H H 72 6.949 7.738 -0.789 2
1 538 . 1 1 A 72 72 VAL HA H 72 3.287 3.688 -0.401 2
1 546 . 1 1 A 72 72 VAL N N 72 119.962 119.476 0.486 2
1 547 . 1 1 A 73 73 ASN H H 73 8.292 8.187 0.105 2
1 548 . 1 1 A 73 73 ASN HA H 73 4.378 4.390 -0.012 2
1 553 . 1 1 A 73 73 ASN N N 73 117.910 119.448 -1.538 2
1 555 . 1 1 A 74 74 ASP H H 74 7.985 8.103 -0.118 2
1 556 . 1 1 A 74 74 ASP HA H 74 4.325 4.346 -0.021 2
1 559 . 1 1 A 74 74 ASP N N 74 121.962 119.804 2.158 2
1 560 . 1 1 A 75 75 LEU H H 75 7.519 8.088 -0.569 2
1 561 . 1 1 A 75 75 LEU HA H 75 3.060 3.851 -0.791 2
1 570 . 1 1 A 75 75 LEU N N 75 122.206 120.114 2.092 2
1 571 . 1 1 A 76 76 ALA H H 76 7.936 8.270 -0.334 2
1 572 . 1 1 A 76 76 ALA HA H 76 3.582 3.955 -0.373 2
1 576 . 1 1 A 76 76 ALA N N 76 119.529 121.579 -2.050 2
1 577 . 1 1 A 77 77 ARG H H 77 7.619 8.004 -0.385 2
1 578 . 1 1 A 77 77 ARG HA H 77 3.852 4.074 -0.222 2
1 585 . 1 1 A 77 77 ARG N N 77 115.626 118.008 -2.382 2
1 586 . 1 1 A 78 78 GLU H H 78 7.739 7.733 0.006 2
1 587 . 1 1 A 78 78 GLU HA H 78 4.000 4.064 -0.064 2
1 592 . 1 1 A 78 78 GLU N N 78 119.427 119.552 -0.125 2
1 593 . 1 1 A 79 79 LEU H H 79 8.183 8.159 0.024 2
1 594 . 1 1 A 79 79 LEU HA H 79 4.033 3.958 0.075 2
1 603 . 1 1 A 79 79 LEU N N 79 117.433 120.408 -2.975 2
1 604 . 1 1 A 80 80 ARG H H 80 7.546 8.018 -0.472 2
1 605 . 1 1 A 80 80 ARG HA H 80 3.960 4.058 -0.098 2
1 610 . 1 1 A 80 80 ARG N N 80 113.295 119.266 -5.971 2
1 611 . 1 1 A 81 81 ILE H H 81 7.280 7.481 -0.201 2
1 612 . 1 1 A 81 81 ILE HA H 81 3.987 4.004 -0.017 2
1 622 . 1 1 A 81 81 ILE N N 81 115.559 118.305 -2.745 2
1 623 . 1 1 A 82 82 ARG H H 82 6.846 7.396 -0.549 2
1 624 . 1 1 A 82 82 ARG HA H 82 4.231 4.276 -0.045 2
1 631 . 1 1 A 82 82 ARG N N 82 119.695 122.577 -2.882 2
1 632 . 1 1 A 83 83 ASP H H 83 8.502 8.980 -0.479 2
1 633 . 1 1 A 83 83 ASP HA H 83 4.346 4.326 0.020 2
1 636 . 1 1 A 83 83 ASP N N 83 123.697 124.133 -0.436 2
1 637 . 1 1 A 84 84 ASN H H 84 8.883 8.120 0.763 2
1 638 . 1 1 A 84 84 ASN HA H 84 4.822 4.633 0.189 2
1 643 . 1 1 A 84 84 ASN N N 84 112.236 116.389 -4.153 2
1 645 . 1 1 A 85 85 VAL H H 85 7.800 7.612 0.188 2
1 646 . 1 1 A 85 85 VAL HA H 85 4.048 4.152 -0.104 2
1 654 . 1 1 A 85 85 VAL N N 85 122.112 119.266 2.846 2
1 655 . 1 1 A 86 86 ARG H H 86 9.285 8.713 0.572 2
1 656 . 1 1 A 86 86 ARG HA H 86 4.432 4.415 0.017 2
1 657 . 1 1 A 86 86 ARG N N 86 126.445 128.654 -2.208 2
1 658 . 1 1 A 87 87 ARG H H 87 7.671 7.662 0.009 2
1 659 . 1 1 A 87 87 ARG HA H 87 4.556 4.815 -0.259 2
1 666 . 1 1 A 87 87 ARG N N 87 116.855 117.546 -0.691 2
1 667 . 1 1 A 88 88 VAL H H 88 8.904 8.580 0.324 2
1 668 . 1 1 A 88 88 VAL HA H 88 4.834 4.883 -0.049 2
1 676 . 1 1 A 88 88 VAL N N 88 123.751 120.653 3.098 2
1 677 . 1 1 A 89 89 MET H H 89 9.119 8.812 0.307 2
1 678 . 1 1 A 89 89 MET HA H 89 4.869 5.197 -0.328 2
1 683 . 1 1 A 89 89 MET N N 89 127.251 126.330 0.921 2
1 684 . 1 1 A 90 90 VAL H H 90 9.007 8.960 0.047 2
1 685 . 1 1 A 90 90 VAL HA H 90 4.962 4.881 0.081 2
1 693 . 1 1 A 90 90 VAL N N 90 127.769 125.594 2.175 2
1 694 . 1 1 A 91 91 VAL H H 91 9.195 8.933 0.262 2
1 695 . 1 1 A 91 91 VAL HA H 91 4.660 4.884 -0.224 2
1 703 . 1 1 A 91 91 VAL N N 91 126.267 124.731 1.536 2
1 704 . 1 1 A 92 92 LYS H H 92 8.914 8.448 0.466 2
1 705 . 1 1 A 92 92 LYS HA H 92 4.124 4.490 -0.366 2
1 712 . 1 1 A 92 92 LYS N N 92 126.996 124.757 2.238 2
1 713 . 1 1 A 93 93 SER H H 93 8.046 8.337 -0.291 2
1 714 . 1 1 A 93 93 SER HA H 93 4.396 4.952 -0.556 2
1 717 . 1 1 A 93 93 SER N N 93 120.732 117.287 3.445 2
1 718 . 1 1 A 94 94 GLN H H 94 8.806 8.661 0.145 2
1 719 . 1 1 A 94 94 GLN HA H 94 4.316 4.743 -0.427 2
1 726 . 1 1 A 94 94 GLN N N 94 124.100 122.553 1.547 2
1 728 . 1 1 A 95 95 GLU H H 95 8.481 8.579 -0.098 2
1 729 . 1 1 A 95 95 GLU HA H 95 4.579 4.691 -0.112 2
1 734 . 1 1 A 95 95 GLU N N 95 124.145 121.102 3.043 2
1 735 . 1 1 A 96 96 PRO HA H 96 4.408 4.716 -0.308 2
1 742 . 1 1 A 97 97 PHE H H 97 8.234 8.642 -0.407 2
1 743 . 1 1 A 97 97 PHE HA H 97 4.647 4.855 -0.208 2
1 748 . 1 1 A 97 97 PHE N N 97 120.145 122.329 -2.184 2
1 749 . 1 1 A 98 98 LEU H H 98 8.115 8.460 -0.345 2
1 750 . 1 1 A 98 98 LEU HA H 98 4.368 4.519 -0.151 2
1 759 . 1 1 A 98 98 LEU N N 98 125.838 123.449 2.389 2
1 760 . 1 1 A 99 99 ALA H H 99 7.765 8.542 -0.777 2
1 761 . 1 1 A 99 99 ALA HA H 99 4.074 4.622 -0.548 2
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save_