data_16211_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16211
_Entry.PDB_ID 2KGJ
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 10
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 6 . 1 1 1 A 2 2 GLN H H 2 8.503 8.758 -0.255 1
1 7 . 1 1 1 A 2 2 GLN HA H 2 4.532 4.952 -0.420 1
1 14 . 1 1 1 A 2 2 GLN N N 2 125.165 122.846 2.319 1
1 16 . 1 1 1 A 3 3 PRO HA H 3 4.217 4.630 -0.413 1
1 23 . 1 1 1 A 4 4 GLN H H 4 8.492 8.296 0.196 1
1 24 . 1 1 1 A 4 4 GLN HA H 4 4.382 4.283 0.099 1
1 31 . 1 1 1 A 4 4 GLN N N 4 120.871 118.444 2.427 1
1 33 . 1 1 1 A 5 5 ARG H H 5 8.365 8.559 -0.194 1
1 34 . 1 1 1 A 5 5 ARG HA H 5 5.165 5.343 -0.178 1
1 42 . 1 1 1 A 5 5 ARG N N 5 121.503 121.309 0.194 1
1 44 . 1 1 1 A 6 6 THR H H 6 8.801 9.170 -0.369 1
1 45 . 1 1 1 A 6 6 THR HA H 6 4.751 4.969 -0.218 1
1 50 . 1 1 1 A 6 6 THR N N 6 116.539 116.620 -0.081 1
1 51 . 1 1 1 A 7 7 ARG H H 7 8.337 8.300 0.037 1
1 52 . 1 1 1 A 7 7 ARG HA H 7 4.567 4.173 0.394 1
1 60 . 1 1 1 A 7 7 ARG N N 7 129.822 126.760 3.062 1
1 62 . 1 1 1 A 8 8 TYR H H 8 7.810 8.772 -0.962 1
1 63 . 1 1 1 A 8 8 TYR HA H 8 5.211 4.946 0.265 1
1 70 . 1 1 1 A 8 8 TYR N N 8 125.080 127.046 -1.966 1
1 71 . 1 1 1 A 9 9 SER H H 9 8.654 8.901 -0.247 1
1 72 . 1 1 1 A 9 9 SER HA H 9 5.361 5.618 -0.257 1
1 75 . 1 1 1 A 9 9 SER N N 9 114.459 118.458 -3.999 1
1 76 . 1 1 1 A 10 10 ILE H H 10 9.112 9.118 -0.006 1
1 77 . 1 1 1 A 10 10 ILE HA H 10 5.709 5.912 -0.203 1
1 87 . 1 1 1 A 10 10 ILE N N 10 116.723 120.404 -3.681 1
1 88 . 1 1 1 A 11 11 ILE H H 11 8.827 8.924 -0.097 1
1 89 . 1 1 1 A 11 11 ILE HA H 11 3.630 5.081 -1.451 1
1 99 . 1 1 1 A 11 11 ILE N N 11 122.843 121.711 1.132 1
1 100 . 1 1 1 A 12 12 GLN H H 12 8.047 8.858 -0.811 1
1 101 . 1 1 1 A 12 12 GLN HA H 12 5.529 5.300 0.229 1
1 108 . 1 1 1 A 12 12 GLN N N 12 127.853 123.929 3.924 1
1 110 . 1 1 1 A 13 13 THR H H 13 9.657 9.375 0.282 1
1 111 . 1 1 1 A 13 13 THR HA H 13 5.050 4.935 0.115 1
1 116 . 1 1 1 A 13 13 THR N N 13 117.094 116.777 0.317 1
1 117 . 1 1 1 A 14 14 LYS H H 14 9.035 8.517 0.518 1
1 118 . 1 1 1 A 14 14 LYS HA H 14 4.463 4.146 0.317 1
1 130 . 1 1 1 A 14 14 LYS N N 14 119.457 122.261 -2.804 1
1 131 . 1 1 1 A 15 15 THR H H 15 7.527 7.858 -0.331 1
1 132 . 1 1 1 A 15 15 THR HA H 15 4.785 4.877 -0.092 1
1 137 . 1 1 1 A 15 15 THR N N 15 104.566 110.937 -6.371 1
1 138 . 1 1 1 A 16 16 GLU H H 16 8.454 8.660 -0.206 1
1 139 . 1 1 1 A 16 16 GLU HA H 16 4.101 3.089 1.012 1
1 144 . 1 1 1 A 16 16 GLU N N 16 127.134 121.820 5.314 1
1 145 . 1 1 1 A 17 17 ASP H H 17 8.335 8.334 0.001 1
1 146 . 1 1 1 A 17 17 ASP HA H 17 4.095 4.241 -0.146 1
1 149 . 1 1 1 A 17 17 ASP N N 17 117.583 120.124 -2.541 1
1 150 . 1 1 1 A 18 18 GLU H H 18 7.362 7.914 -0.552 1
1 151 . 1 1 1 A 18 18 GLU HA H 18 4.106 3.979 0.127 1
1 156 . 1 1 1 A 18 18 GLU N N 18 118.999 118.087 0.912 1
1 157 . 1 1 1 A 19 19 ALA H H 19 7.050 8.056 -1.006 1
1 158 . 1 1 1 A 19 19 ALA HA H 19 3.692 4.051 -0.359 1
1 162 . 1 1 1 A 19 19 ALA N N 19 123.146 122.414 0.732 1
1 163 . 1 1 1 A 20 20 LYS H H 20 8.335 8.520 -0.185 1
1 164 . 1 1 1 A 20 20 LYS HA H 20 3.600 3.971 -0.371 1
1 173 . 1 1 1 A 20 20 LYS N N 20 117.583 116.752 0.831 1
1 174 . 1 1 1 A 21 21 ALA H H 21 7.522 7.719 -0.197 1
1 175 . 1 1 1 A 21 21 ALA HA H 21 4.091 3.947 0.144 1
1 179 . 1 1 1 A 21 21 ALA N N 21 121.260 122.217 -0.957 1
1 180 . 1 1 1 A 22 22 VAL H H 22 7.670 7.731 -0.061 1
1 181 . 1 1 1 A 22 22 VAL HA H 22 3.484 3.534 -0.050 1
1 189 . 1 1 1 A 22 22 VAL N N 22 120.352 117.983 2.369 1
1 190 . 1 1 1 A 23 23 LEU H H 23 8.175 8.434 -0.259 1
1 191 . 1 1 1 A 23 23 LEU HA H 23 3.874 3.996 -0.122 1
1 201 . 1 1 1 A 23 23 LEU N N 23 121.296 118.491 2.805 1
1 202 . 1 1 1 A 24 24 ASP H H 24 7.997 8.533 -0.536 1
1 203 . 1 1 1 A 24 24 ASP HA H 24 4.290 4.269 0.021 1
1 206 . 1 1 1 A 24 24 ASP N N 24 118.344 119.217 -0.873 1
1 207 . 1 1 1 A 25 25 GLU H H 25 7.488 7.624 -0.136 1
1 208 . 1 1 1 A 25 25 GLU HA H 25 3.874 4.120 -0.246 1
1 213 . 1 1 1 A 25 25 GLU N N 25 118.292 119.421 -1.129 1
1 214 . 1 1 1 A 26 26 LEU H H 26 8.574 7.714 0.860 1
1 215 . 1 1 1 A 26 26 LEU HA H 26 3.784 4.213 -0.429 1
1 225 . 1 1 1 A 26 26 LEU N N 26 122.270 120.080 2.190 1
1 226 . 1 1 1 A 27 27 ASN H H 27 8.663 8.085 0.578 1
1 227 . 1 1 1 A 27 27 ASN HA H 27 4.520 4.543 -0.023 1
1 232 . 1 1 1 A 27 27 ASN N N 27 120.178 118.374 1.804 1
1 234 . 1 1 1 A 28 28 LYS H H 28 7.339 7.442 -0.103 1
1 235 . 1 1 1 A 28 28 LYS HA H 28 4.331 4.199 0.132 1
1 247 . 1 1 1 A 28 28 LYS N N 28 118.773 116.619 2.154 1
1 248 . 1 1 1 A 29 29 GLY H H 29 7.680 7.424 0.256 1
1 249 . 1 1 1 A 29 29 GLY HA2 H 29 4.290 4.030 0.260 1
1 250 . 1 1 1 A 29 29 GLY HA3 H 29 3.703 4.047 -0.344 1
1 251 . 1 1 1 A 29 29 GLY N N 29 106.818 107.678 -0.860 1
1 252 . 1 1 1 A 30 30 GLY H H 30 8.241 8.240 0.001 1
1 253 . 1 1 1 A 30 30 GLY HA2 H 30 3.887 3.807 0.080 1
1 254 . 1 1 1 A 30 30 GLY HA3 H 30 3.128 3.809 -0.681 1
1 255 . 1 1 1 A 30 30 GLY N N 30 108.169 106.828 1.341 1
1 256 . 1 1 1 A 31 31 ASP H H 31 8.471 8.013 0.458 1
1 257 . 1 1 1 A 31 31 ASP HA H 31 4.555 5.053 -0.498 1
1 260 . 1 1 1 A 31 31 ASP N N 31 122.396 118.342 4.054 1
1 261 . 1 1 1 A 32 32 PHE H H 32 8.754 9.093 -0.339 1
1 262 . 1 1 1 A 32 32 PHE HA H 32 3.484 4.082 -0.598 1
1 270 . 1 1 1 A 32 32 PHE N N 32 129.042 126.197 2.845 1
1 271 . 1 1 1 A 33 33 ALA H H 33 8.099 8.171 -0.072 1
1 272 . 1 1 1 A 33 33 ALA HA H 33 4.451 4.007 0.444 1
1 276 . 1 1 1 A 33 33 ALA N N 33 118.535 121.241 -2.706 1
1 277 . 1 1 1 A 34 34 ALA H H 34 7.888 7.808 0.080 1
1 278 . 1 1 1 A 34 34 ALA HA H 34 3.945 4.173 -0.228 1
1 282 . 1 1 1 A 34 34 ALA N N 34 120.695 120.421 0.274 1
1 283 . 1 1 1 A 35 35 LEU H H 35 8.135 7.953 0.182 1
1 284 . 1 1 1 A 35 35 LEU HA H 35 3.874 3.818 0.056 1
1 294 . 1 1 1 A 35 35 LEU N N 35 119.988 118.902 1.086 1
1 295 . 1 1 1 A 36 36 ALA H H 36 8.833 8.139 0.694 1
1 296 . 1 1 1 A 36 36 ALA HA H 36 3.623 3.849 -0.226 1
1 300 . 1 1 1 A 36 36 ALA N N 36 123.123 121.944 1.179 1
1 301 . 1 1 1 A 37 37 LYS H H 37 7.838 7.497 0.341 1
1 302 . 1 1 1 A 37 37 LYS HA H 37 3.874 4.086 -0.212 1
1 311 . 1 1 1 A 37 37 LYS N N 37 115.868 117.415 -1.547 1
1 312 . 1 1 1 A 38 38 GLU H H 38 7.398 7.615 -0.217 1
1 313 . 1 1 1 A 38 38 GLU HA H 38 4.103 4.176 -0.073 1
1 318 . 1 1 1 A 38 38 GLU N N 38 115.281 119.547 -4.266 1
1 319 . 1 1 1 A 39 39 LYS H H 39 8.495 7.478 1.017 1
1 320 . 1 1 1 A 39 39 LYS HA H 39 4.411 4.256 0.155 1
1 329 . 1 1 1 A 39 39 LYS N N 39 113.533 118.621 -5.088 1
1 330 . 1 1 1 A 40 40 SER H H 40 8.188 7.494 0.694 1
1 331 . 1 1 1 A 40 40 SER HA H 40 4.198 4.727 -0.529 1
1 334 . 1 1 1 A 40 40 SER N N 40 111.913 115.844 -3.931 1
1 335 . 1 1 1 A 41 41 ALA H H 41 9.472 9.012 0.460 1
1 336 . 1 1 1 A 41 41 ALA HA H 41 4.210 4.326 -0.116 1
1 340 . 1 1 1 A 41 41 ALA N N 41 128.478 129.362 -0.884 1
1 341 . 1 1 1 A 42 42 ASP H H 42 7.328 8.189 -0.861 1
1 342 . 1 1 1 A 42 42 ASP HA H 42 4.659 4.440 0.219 1
1 345 . 1 1 1 A 42 42 ASP N N 42 118.084 118.997 -0.913 1
1 346 . 1 1 1 A 43 43 ILE H H 43 7.813 7.667 0.146 1
1 347 . 1 1 1 A 43 43 ILE HA H 43 3.715 3.838 -0.123 1
1 357 . 1 1 1 A 43 43 ILE N N 43 124.158 116.922 7.236 1
1 358 . 1 1 1 A 44 44 ILE H H 44 7.765 7.571 0.194 1
1 359 . 1 1 1 A 44 44 ILE HA H 44 3.680 3.804 -0.124 1
1 369 . 1 1 1 A 44 44 ILE N N 44 118.644 121.394 -2.750 1
1 370 . 1 1 1 A 45 45 SER H H 45 7.131 8.452 -1.321 1
1 371 . 1 1 1 A 45 45 SER HA H 45 4.348 4.556 -0.208 1
1 374 . 1 1 1 A 45 45 SER N N 45 112.128 115.808 -3.680 1
1 375 . 1 1 1 A 46 46 ALA H H 46 8.750 8.236 0.514 1
1 376 . 1 1 1 A 46 46 ALA HA H 46 3.703 4.015 -0.312 1
1 380 . 1 1 1 A 46 46 ALA N N 46 130.693 123.379 7.314 1
1 381 . 1 1 1 A 47 47 ARG H H 47 7.335 7.843 -0.508 1
1 382 . 1 1 1 A 47 47 ARG HA H 47 4.034 4.177 -0.143 1
1 390 . 1 1 1 A 47 47 ARG N N 47 113.301 118.005 -4.704 1
1 392 . 1 1 1 A 48 48 ASN H H 48 7.393 8.282 -0.889 1
1 393 . 1 1 1 A 48 48 ASN HA H 48 5.073 4.804 0.269 1
1 398 . 1 1 1 A 48 48 ASN N N 48 116.377 115.264 1.113 1
1 400 . 1 1 1 A 49 49 GLY H H 49 8.146 8.195 -0.049 1
1 401 . 1 1 1 A 49 49 GLY HA2 H 49 4.023 3.893 0.130 1
1 402 . 1 1 1 A 49 49 GLY HA3 H 49 3.943 3.901 0.042 1
1 403 . 1 1 1 A 49 49 GLY N N 49 109.272 107.018 2.254 1
1 404 . 1 1 1 A 50 50 GLY H H 50 8.422 8.889 -0.467 1
1 405 . 1 1 1 A 50 50 GLY HA2 H 50 4.440 3.970 0.470 1
1 406 . 1 1 1 A 50 50 GLY HA3 H 50 3.450 4.098 -0.648 1
1 407 . 1 1 1 A 50 50 GLY N N 50 106.705 107.878 -1.173 1
1 408 . 1 1 1 A 51 51 ASP H H 51 6.672 7.941 -1.269 1
1 409 . 1 1 1 A 51 51 ASP HA H 51 4.601 4.604 -0.003 1
1 412 . 1 1 1 A 51 51 ASP N N 51 118.848 120.697 -1.849 1
1 413 . 1 1 1 A 52 52 MET H H 52 9.118 8.422 0.696 1
1 414 . 1 1 1 A 52 52 MET HA H 52 4.302 4.423 -0.121 1
1 419 . 1 1 1 A 52 52 MET N N 52 126.094 123.118 2.976 1
1 420 . 1 1 1 A 53 53 GLY H H 53 8.274 7.405 0.869 1
1 421 . 1 1 1 A 53 53 GLY HA2 H 53 4.049 4.081 -0.032 1
1 422 . 1 1 1 A 53 53 GLY HA3 H 53 3.315 4.113 -0.798 1
1 423 . 1 1 1 A 53 53 GLY N N 53 107.535 107.154 0.381 1
1 424 . 1 1 1 A 54 54 TRP H H 54 8.154 8.533 -0.379 1
1 425 . 1 1 1 A 54 54 TRP HA H 54 4.233 4.916 -0.683 1
1 434 . 1 1 1 A 54 54 TRP N N 54 117.028 121.744 -4.716 1
1 436 . 1 1 1 A 55 55 LEU H H 55 8.910 8.676 0.234 1
1 437 . 1 1 1 A 55 55 LEU HA H 55 4.753 5.059 -0.306 1
1 447 . 1 1 1 A 55 55 LEU N N 55 125.087 121.205 3.882 1
1 448 . 1 1 1 A 56 56 GLU H H 56 8.213 8.190 0.023 1
1 449 . 1 1 1 A 56 56 GLU HA H 56 4.601 4.680 -0.079 1
1 454 . 1 1 1 A 56 56 GLU N N 56 120.058 119.432 0.626 1
1 455 . 1 1 1 A 57 57 ASP H H 57 8.706 9.399 -0.693 1
1 456 . 1 1 1 A 57 57 ASP HA H 57 4.256 4.325 -0.069 1
1 459 . 1 1 1 A 57 57 ASP N N 57 123.804 123.450 0.354 1
1 460 . 1 1 1 A 58 58 ALA H H 58 8.566 8.740 -0.174 1
1 461 . 1 1 1 A 58 58 ALA HA H 58 4.129 4.065 0.064 1
1 465 . 1 1 1 A 58 58 ALA N N 58 117.470 123.105 -5.635 1
1 466 . 1 1 1 A 59 59 THR H H 59 7.873 8.089 -0.216 1
1 467 . 1 1 1 A 59 59 THR HA H 59 4.382 4.486 -0.104 1
1 472 . 1 1 1 A 59 59 THR N N 59 106.456 107.041 -0.585 1
1 473 . 1 1 1 A 60 60 ILE H H 60 7.294 7.512 -0.218 1
1 474 . 1 1 1 A 60 60 ILE HA H 60 4.095 4.220 -0.125 1
1 484 . 1 1 1 A 60 60 ILE N N 60 124.761 126.344 -1.583 1
1 485 . 1 1 1 A 61 61 PRO HA H 61 4.365 4.579 -0.214 1
1 492 . 1 1 1 A 62 62 ASP H H 62 8.969 8.595 0.374 1
1 493 . 1 1 1 A 62 62 ASP HA H 62 4.072 4.262 -0.190 1
1 496 . 1 1 1 A 62 62 ASP N N 62 125.215 121.880 3.335 1
1 497 . 1 1 1 A 63 63 GLU H H 63 9.542 8.455 1.087 1
1 498 . 1 1 1 A 63 63 GLU HA H 63 3.841 4.059 -0.218 1
1 503 . 1 1 1 A 63 63 GLU N N 63 116.092 119.337 -3.245 1
1 504 . 1 1 1 A 64 64 LEU H H 64 6.892 7.729 -0.837 1
1 505 . 1 1 1 A 64 64 LEU HA H 64 3.829 4.032 -0.203 1
1 515 . 1 1 1 A 64 64 LEU N N 64 116.203 120.301 -4.098 1
1 516 . 1 1 1 A 65 65 LYS H H 65 7.635 7.689 -0.054 1
1 517 . 1 1 1 A 65 65 LYS HA H 65 3.829 4.000 -0.171 1
1 526 . 1 1 1 A 65 65 LYS N N 65 120.789 119.778 1.011 1
1 527 . 1 1 1 A 66 66 ASN H H 66 8.270 7.759 0.511 1
1 528 . 1 1 1 A 66 66 ASN HA H 66 4.502 4.509 -0.007 1
1 533 . 1 1 1 A 66 66 ASN N N 66 114.881 116.848 -1.967 1
1 535 . 1 1 1 A 67 67 ALA H H 67 7.136 7.455 -0.319 1
1 536 . 1 1 1 A 67 67 ALA HA H 67 4.095 4.175 -0.080 1
1 540 . 1 1 1 A 67 67 ALA N N 67 120.993 119.876 1.117 1
1 541 . 1 1 1 A 68 68 GLY H H 68 7.654 8.108 -0.454 1
1 542 . 1 1 1 A 68 68 GLY HA2 H 68 3.715 3.943 -0.228 1
1 543 . 1 1 1 A 68 68 GLY HA3 H 68 3.714 3.951 -0.237 1
1 544 . 1 1 1 A 68 68 GLY N N 68 104.575 107.805 -3.230 1
1 545 . 1 1 1 A 69 69 LEU H H 69 8.208 7.989 0.219 1
1 546 . 1 1 1 A 69 69 LEU HA H 69 4.002 4.562 -0.560 1
1 556 . 1 1 1 A 69 69 LEU N N 69 119.478 122.636 -3.158 1
1 557 . 1 1 1 A 70 70 LYS H H 70 8.525 8.027 0.498 1
1 558 . 1 1 1 A 70 70 LYS HA H 70 4.342 4.531 -0.189 1
1 567 . 1 1 1 A 70 70 LYS N N 70 120.087 124.407 -4.320 1
1 568 . 1 1 1 A 71 71 GLU H H 71 7.727 7.842 -0.115 1
1 569 . 1 1 1 A 71 71 GLU HA H 71 4.532 4.533 -0.001 1
1 574 . 1 1 1 A 71 71 GLU N N 71 118.339 118.699 -0.360 1
1 575 . 1 1 1 A 72 72 LYS H H 72 8.574 8.682 -0.108 1
1 576 . 1 1 1 A 72 72 LYS HA H 72 3.519 3.876 -0.357 1
1 585 . 1 1 1 A 72 72 LYS N N 72 122.270 125.772 -3.502 1
1 586 . 1 1 1 A 73 73 GLY H H 73 9.551 8.887 0.664 1
1 587 . 1 1 1 A 73 73 GLY HA2 H 73 4.148 3.979 0.169 1
1 588 . 1 1 1 A 73 73 GLY HA3 H 73 3.349 3.991 -0.642 1
1 589 . 1 1 1 A 73 73 GLY N N 73 114.854 114.856 -0.002 1
1 590 . 1 1 1 A 74 74 GLN H H 74 7.926 7.712 0.214 1
1 591 . 1 1 1 A 74 74 GLN HA H 74 3.979 4.409 -0.430 1
1 598 . 1 1 1 A 74 74 GLN N N 74 122.200 121.454 0.746 1
1 600 . 1 1 1 A 75 75 LEU H H 75 8.130 8.485 -0.355 1
1 601 . 1 1 1 A 75 75 LEU HA H 75 5.187 4.899 0.288 1
1 611 . 1 1 1 A 75 75 LEU N N 75 124.036 122.315 1.721 1
1 612 . 1 1 1 A 76 76 SER H H 76 9.245 8.877 0.368 1
1 613 . 1 1 1 A 76 76 SER HA H 76 4.382 4.147 0.235 1
1 616 . 1 1 1 A 76 76 SER N N 76 119.351 115.127 4.224 1
1 617 . 1 1 1 A 77 77 GLY H H 77 7.656 7.856 -0.200 1
1 618 . 1 1 1 A 77 77 GLY HA2 H 77 4.371 4.080 0.291 1
1 619 . 1 1 1 A 77 77 GLY HA3 H 77 3.611 4.091 -0.480 1
1 620 . 1 1 1 A 77 77 GLY N N 77 102.417 108.013 -5.596 1
1 621 . 1 1 1 A 78 78 VAL H H 78 8.421 9.397 -0.976 1
1 622 . 1 1 1 A 78 78 VAL HA H 78 3.853 4.826 -0.973 1
1 630 . 1 1 1 A 78 78 VAL N N 78 118.736 125.986 -7.250 1
1 631 . 1 1 1 A 79 79 ILE H H 79 9.387 9.719 -0.332 1
1 632 . 1 1 1 A 79 79 ILE HA H 79 4.210 4.676 -0.466 1
1 642 . 1 1 1 A 79 79 ILE N N 79 132.591 128.824 3.767 1
1 643 . 1 1 1 A 80 80 LYS H H 80 8.628 8.775 -0.147 1
1 644 . 1 1 1 A 80 80 LYS HA H 80 3.922 4.605 -0.683 1
1 653 . 1 1 1 A 80 80 LYS N N 80 128.368 129.380 -1.012 1
1 654 . 1 1 1 A 81 81 SER H H 81 7.919 7.861 0.058 1
1 655 . 1 1 1 A 81 81 SER HA H 81 3.703 4.854 -1.151 1
1 658 . 1 1 1 A 81 81 SER N N 81 122.449 122.353 0.096 1
1 659 . 1 1 1 A 82 82 SER H H 82 8.566 8.913 -0.347 1
1 660 . 1 1 1 A 82 82 SER HA H 82 4.019 4.085 -0.066 1
1 663 . 1 1 1 A 82 82 SER N N 82 117.460 121.332 -3.872 1
1 664 . 1 1 1 A 83 83 VAL H H 83 7.232 7.188 0.044 1
1 665 . 1 1 1 A 83 83 VAL HA H 83 4.182 4.019 0.163 1
1 673 . 1 1 1 A 83 83 VAL N N 83 113.299 114.546 -1.247 1
1 674 . 1 1 1 A 84 84 GLY H H 84 7.160 7.144 0.016 1
1 675 . 1 1 1 A 84 84 GLY HA2 H 84 4.194 3.954 0.240 1
1 676 . 1 1 1 A 84 84 GLY HA3 H 84 3.509 4.056 -0.547 1
1 677 . 1 1 1 A 84 84 GLY N N 84 109.922 109.199 0.723 1
1 678 . 1 1 1 A 85 85 PHE H H 85 8.583 8.141 0.442 1
1 679 . 1 1 1 A 85 85 PHE HA H 85 4.935 5.191 -0.256 1
1 687 . 1 1 1 A 85 85 PHE N N 85 122.045 120.092 1.953 1
1 688 . 1 1 1 A 86 86 LEU H H 86 9.525 8.940 0.585 1
1 689 . 1 1 1 A 86 86 LEU HA H 86 5.476 5.256 0.220 1
1 699 . 1 1 1 A 86 86 LEU N N 86 121.224 125.275 -4.051 1
1 700 . 1 1 1 A 87 87 ILE H H 87 8.479 9.713 -1.234 1
1 701 . 1 1 1 A 87 87 ILE HA H 87 4.002 5.044 -1.042 1
1 711 . 1 1 1 A 87 87 ILE N N 87 119.241 127.323 -8.082 1
1 712 . 1 1 1 A 88 88 VAL H H 88 8.838 9.355 -0.517 1
1 713 . 1 1 1 A 88 88 VAL HA H 88 4.935 5.185 -0.250 1
1 721 . 1 1 1 A 88 88 VAL N N 88 125.698 128.288 -2.590 1
1 722 . 1 1 1 A 89 89 ARG H H 89 9.061 9.521 -0.460 1
1 723 . 1 1 1 A 89 89 ARG HA H 89 5.200 4.939 0.261 1
1 731 . 1 1 1 A 89 89 ARG N N 89 126.677 128.794 -2.117 1
1 733 . 1 1 1 A 90 90 LEU H H 90 8.047 8.635 -0.588 1
1 734 . 1 1 1 A 90 90 LEU HA H 90 4.164 4.459 -0.295 1
1 744 . 1 1 1 A 90 90 LEU N N 90 127.853 127.479 0.374 1
1 745 . 1 1 1 A 91 91 ASP H H 91 8.569 8.829 -0.260 1
1 746 . 1 1 1 A 91 91 ASP HA H 91 4.491 4.495 -0.004 1
1 749 . 1 1 1 A 91 91 ASP N N 91 128.030 126.791 1.239 1
1 750 . 1 1 1 A 92 92 ASP H H 92 7.672 7.071 0.601 1
1 751 . 1 1 1 A 92 92 ASP HA H 92 4.555 4.959 -0.404 1
1 754 . 1 1 1 A 92 92 ASP N N 92 115.964 117.070 -1.106 1
1 755 . 1 1 1 A 93 93 ILE H H 93 8.889 8.519 0.370 1
1 756 . 1 1 1 A 93 93 ILE HA H 93 4.751 5.038 -0.287 1
1 766 . 1 1 1 A 93 93 ILE N N 93 120.472 122.207 -1.735 1
1 767 . 1 1 1 A 94 94 GLN H H 94 8.851 9.150 -0.299 1
1 768 . 1 1 1 A 94 94 GLN HA H 94 4.422 5.007 -0.585 1
1 775 . 1 1 1 A 94 94 GLN N N 94 126.658 124.547 2.111 1
1 777 . 1 1 1 A 95 95 ALA H H 95 8.525 8.286 0.239 1
1 778 . 1 1 1 A 95 95 ALA HA H 95 4.210 4.550 -0.340 1
1 782 . 1 1 1 A 95 95 ALA N N 95 127.085 125.908 1.177 1
1 783 . 1 1 1 A 96 96 ALA H H 96 8.308 7.927 0.381 1
1 784 . 1 1 1 A 96 96 ALA HA H 96 4.036 3.724 0.312 1
1 788 . 1 1 1 A 96 96 ALA N N 96 122.992 117.286 5.706 1
1 789 . 1 1 1 A 97 97 HIS H H 97 8.197 8.615 -0.418 1
1 790 . 1 1 1 A 97 97 HIS HA H 97 4.463 4.297 0.166 1
1 793 . 1 1 1 A 97 97 HIS N N 97 118.058 117.930 0.128 1
1 6 . 2 1 1 A 2 2 GLN H H 2 8.503 7.998 0.505 1
1 7 . 2 1 1 A 2 2 GLN HA H 2 4.532 4.748 -0.216 1
1 14 . 2 1 1 A 2 2 GLN N N 2 125.165 118.753 6.412 1
1 16 . 2 1 1 A 3 3 PRO HA H 3 4.217 4.609 -0.392 1
1 23 . 2 1 1 A 4 4 GLN H H 4 8.492 8.314 0.178 1
1 24 . 2 1 1 A 4 4 GLN HA H 4 4.382 4.293 0.089 1
1 31 . 2 1 1 A 4 4 GLN N N 4 120.871 118.717 2.154 1
1 33 . 2 1 1 A 5 5 ARG H H 5 8.365 9.011 -0.646 1
1 34 . 2 1 1 A 5 5 ARG HA H 5 5.165 5.388 -0.223 1
1 42 . 2 1 1 A 5 5 ARG N N 5 121.503 120.385 1.118 1
1 44 . 2 1 1 A 6 6 THR H H 6 8.801 9.467 -0.666 1
1 45 . 2 1 1 A 6 6 THR HA H 6 4.751 5.014 -0.263 1
1 50 . 2 1 1 A 6 6 THR N N 6 116.539 116.845 -0.306 1
1 51 . 2 1 1 A 7 7 ARG H H 7 8.337 8.491 -0.154 1
1 52 . 2 1 1 A 7 7 ARG HA H 7 4.567 4.112 0.455 1
1 60 . 2 1 1 A 7 7 ARG N N 7 129.822 126.790 3.032 1
1 62 . 2 1 1 A 8 8 TYR H H 8 7.810 8.386 -0.576 1
1 63 . 2 1 1 A 8 8 TYR HA H 8 5.211 4.877 0.334 1
1 70 . 2 1 1 A 8 8 TYR N N 8 125.080 127.118 -2.038 1
1 71 . 2 1 1 A 9 9 SER H H 9 8.654 9.091 -0.437 1
1 72 . 2 1 1 A 9 9 SER HA H 9 5.361 5.574 -0.213 1
1 75 . 2 1 1 A 9 9 SER N N 9 114.459 118.688 -4.229 1
1 76 . 2 1 1 A 10 10 ILE H H 10 9.112 9.021 0.091 1
1 77 . 2 1 1 A 10 10 ILE HA H 10 5.709 5.822 -0.113 1
1 87 . 2 1 1 A 10 10 ILE N N 10 116.723 120.006 -3.283 1
1 88 . 2 1 1 A 11 11 ILE H H 11 8.827 8.853 -0.026 1
1 89 . 2 1 1 A 11 11 ILE HA H 11 3.630 5.088 -1.458 1
1 99 . 2 1 1 A 11 11 ILE N N 11 122.843 121.217 1.626 1
1 100 . 2 1 1 A 12 12 GLN H H 12 8.047 8.905 -0.858 1
1 101 . 2 1 1 A 12 12 GLN HA H 12 5.529 4.857 0.672 1
1 108 . 2 1 1 A 12 12 GLN N N 12 127.853 123.516 4.337 1
1 110 . 2 1 1 A 13 13 THR H H 13 9.657 9.314 0.343 1
1 111 . 2 1 1 A 13 13 THR HA H 13 5.050 4.978 0.072 1
1 116 . 2 1 1 A 13 13 THR N N 13 117.094 117.552 -0.458 1
1 117 . 2 1 1 A 14 14 LYS H H 14 9.035 8.940 0.095 1
1 118 . 2 1 1 A 14 14 LYS HA H 14 4.463 4.401 0.062 1
1 130 . 2 1 1 A 14 14 LYS N N 14 119.457 121.636 -2.179 1
1 131 . 2 1 1 A 15 15 THR H H 15 7.527 7.946 -0.419 1
1 132 . 2 1 1 A 15 15 THR HA H 15 4.785 5.040 -0.255 1
1 137 . 2 1 1 A 15 15 THR N N 15 104.566 112.160 -7.594 1
1 138 . 2 1 1 A 16 16 GLU H H 16 8.454 8.549 -0.095 1
1 139 . 2 1 1 A 16 16 GLU HA H 16 4.101 3.103 0.998 1
1 144 . 2 1 1 A 16 16 GLU N N 16 127.134 123.783 3.351 1
1 145 . 2 1 1 A 17 17 ASP H H 17 8.335 8.252 0.083 1
1 146 . 2 1 1 A 17 17 ASP HA H 17 4.095 4.246 -0.151 1
1 149 . 2 1 1 A 17 17 ASP N N 17 117.583 120.058 -2.475 1
1 150 . 2 1 1 A 18 18 GLU H H 18 7.362 7.927 -0.565 1
1 151 . 2 1 1 A 18 18 GLU HA H 18 4.106 3.936 0.170 1
1 156 . 2 1 1 A 18 18 GLU N N 18 118.999 118.633 0.366 1
1 157 . 2 1 1 A 19 19 ALA H H 19 7.050 7.900 -0.850 1
1 158 . 2 1 1 A 19 19 ALA HA H 19 3.692 3.963 -0.271 1
1 162 . 2 1 1 A 19 19 ALA N N 19 123.146 122.243 0.903 1
1 163 . 2 1 1 A 20 20 LYS H H 20 8.335 8.401 -0.066 1
1 164 . 2 1 1 A 20 20 LYS HA H 20 3.600 3.929 -0.329 1
1 173 . 2 1 1 A 20 20 LYS N N 20 117.583 116.826 0.757 1
1 174 . 2 1 1 A 21 21 ALA H H 21 7.522 7.540 -0.018 1
1 175 . 2 1 1 A 21 21 ALA HA H 21 4.091 4.037 0.054 1
1 179 . 2 1 1 A 21 21 ALA N N 21 121.260 122.011 -0.751 1
1 180 . 2 1 1 A 22 22 VAL H H 22 7.670 8.053 -0.383 1
1 181 . 2 1 1 A 22 22 VAL HA H 22 3.484 3.765 -0.281 1
1 189 . 2 1 1 A 22 22 VAL N N 22 120.352 117.117 3.235 1
1 190 . 2 1 1 A 23 23 LEU H H 23 8.175 8.612 -0.437 1
1 191 . 2 1 1 A 23 23 LEU HA H 23 3.874 3.974 -0.100 1
1 201 . 2 1 1 A 23 23 LEU N N 23 121.296 119.716 1.580 1
1 202 . 2 1 1 A 24 24 ASP H H 24 7.997 8.004 -0.007 1
1 203 . 2 1 1 A 24 24 ASP HA H 24 4.290 4.248 0.042 1
1 206 . 2 1 1 A 24 24 ASP N N 24 118.344 119.140 -0.796 1
1 207 . 2 1 1 A 25 25 GLU H H 25 7.488 7.990 -0.502 1
1 208 . 2 1 1 A 25 25 GLU HA H 25 3.874 4.118 -0.244 1
1 213 . 2 1 1 A 25 25 GLU N N 25 118.292 119.493 -1.201 1
1 214 . 2 1 1 A 26 26 LEU H H 26 8.574 7.325 1.249 1
1 215 . 2 1 1 A 26 26 LEU HA H 26 3.784 4.212 -0.428 1
1 225 . 2 1 1 A 26 26 LEU N N 26 122.270 119.706 2.564 1
1 226 . 2 1 1 A 27 27 ASN H H 27 8.663 8.544 0.119 1
1 227 . 2 1 1 A 27 27 ASN HA H 27 4.520 4.508 0.012 1
1 232 . 2 1 1 A 27 27 ASN N N 27 120.178 118.060 2.118 1
1 234 . 2 1 1 A 28 28 LYS H H 28 7.339 7.516 -0.177 1
1 235 . 2 1 1 A 28 28 LYS HA H 28 4.331 4.329 0.002 1
1 247 . 2 1 1 A 28 28 LYS N N 28 118.773 117.097 1.676 1
1 248 . 2 1 1 A 29 29 GLY H H 29 7.680 7.921 -0.241 1
1 249 . 2 1 1 A 29 29 GLY HA2 H 29 4.290 3.987 0.303 1
1 250 . 2 1 1 A 29 29 GLY HA3 H 29 3.703 4.009 -0.306 1
1 251 . 2 1 1 A 29 29 GLY N N 29 106.818 107.924 -1.106 1
1 252 . 2 1 1 A 30 30 GLY H H 30 8.241 7.824 0.417 1
1 253 . 2 1 1 A 30 30 GLY HA2 H 30 3.887 3.800 0.087 1
1 254 . 2 1 1 A 30 30 GLY HA3 H 30 3.128 3.804 -0.676 1
1 255 . 2 1 1 A 30 30 GLY N N 30 108.169 106.611 1.558 1
1 256 . 2 1 1 A 31 31 ASP H H 31 8.471 8.556 -0.085 1
1 257 . 2 1 1 A 31 31 ASP HA H 31 4.555 4.988 -0.433 1
1 260 . 2 1 1 A 31 31 ASP N N 31 122.396 118.109 4.287 1
1 261 . 2 1 1 A 32 32 PHE H H 32 8.754 9.016 -0.262 1
1 262 . 2 1 1 A 32 32 PHE HA H 32 3.484 4.077 -0.593 1
1 270 . 2 1 1 A 32 32 PHE N N 32 129.042 126.315 2.727 1
1 271 . 2 1 1 A 33 33 ALA H H 33 8.099 8.145 -0.046 1
1 272 . 2 1 1 A 33 33 ALA HA H 33 4.451 4.131 0.320 1
1 276 . 2 1 1 A 33 33 ALA N N 33 118.535 121.382 -2.847 1
1 277 . 2 1 1 A 34 34 ALA H H 34 7.888 7.857 0.031 1
1 278 . 2 1 1 A 34 34 ALA HA H 34 3.945 4.085 -0.140 1
1 282 . 2 1 1 A 34 34 ALA N N 34 120.695 120.629 0.066 1
1 283 . 2 1 1 A 35 35 LEU H H 35 8.135 8.032 0.103 1
1 284 . 2 1 1 A 35 35 LEU HA H 35 3.874 3.786 0.088 1
1 294 . 2 1 1 A 35 35 LEU N N 35 119.988 118.976 1.012 1
1 295 . 2 1 1 A 36 36 ALA H H 36 8.833 8.313 0.520 1
1 296 . 2 1 1 A 36 36 ALA HA H 36 3.623 3.904 -0.281 1
1 300 . 2 1 1 A 36 36 ALA N N 36 123.123 121.397 1.726 1
1 301 . 2 1 1 A 37 37 LYS H H 37 7.838 7.715 0.123 1
1 302 . 2 1 1 A 37 37 LYS HA H 37 3.874 4.118 -0.244 1
1 311 . 2 1 1 A 37 37 LYS N N 37 115.868 117.372 -1.504 1
1 312 . 2 1 1 A 38 38 GLU H H 38 7.398 7.772 -0.374 1
1 313 . 2 1 1 A 38 38 GLU HA H 38 4.103 4.045 0.058 1
1 318 . 2 1 1 A 38 38 GLU N N 38 115.281 119.879 -4.598 1
1 319 . 2 1 1 A 39 39 LYS H H 39 8.495 7.461 1.034 1
1 320 . 2 1 1 A 39 39 LYS HA H 39 4.411 4.280 0.131 1
1 329 . 2 1 1 A 39 39 LYS N N 39 113.533 119.502 -5.969 1
1 330 . 2 1 1 A 40 40 SER H H 40 8.188 7.125 1.063 1
1 331 . 2 1 1 A 40 40 SER HA H 40 4.198 4.468 -0.270 1
1 334 . 2 1 1 A 40 40 SER N N 40 111.913 115.569 -3.656 1
1 335 . 2 1 1 A 41 41 ALA H H 41 9.472 9.366 0.106 1
1 336 . 2 1 1 A 41 41 ALA HA H 41 4.210 4.315 -0.105 1
1 340 . 2 1 1 A 41 41 ALA N N 41 128.478 126.322 2.156 1
1 341 . 2 1 1 A 42 42 ASP H H 42 7.328 8.187 -0.859 1
1 342 . 2 1 1 A 42 42 ASP HA H 42 4.659 4.432 0.227 1
1 345 . 2 1 1 A 42 42 ASP N N 42 118.084 119.138 -1.054 1
1 346 . 2 1 1 A 43 43 ILE H H 43 7.813 7.604 0.209 1
1 347 . 2 1 1 A 43 43 ILE HA H 43 3.715 3.842 -0.127 1
1 357 . 2 1 1 A 43 43 ILE N N 43 124.158 117.446 6.712 1
1 358 . 2 1 1 A 44 44 ILE H H 44 7.765 7.567 0.198 1
1 359 . 2 1 1 A 44 44 ILE HA H 44 3.680 3.786 -0.106 1
1 369 . 2 1 1 A 44 44 ILE N N 44 118.644 121.364 -2.720 1
1 370 . 2 1 1 A 45 45 SER H H 45 7.131 8.651 -1.520 1
1 371 . 2 1 1 A 45 45 SER HA H 45 4.348 4.697 -0.349 1
1 374 . 2 1 1 A 45 45 SER N N 45 112.128 115.646 -3.518 1
1 375 . 2 1 1 A 46 46 ALA H H 46 8.750 8.481 0.269 1
1 376 . 2 1 1 A 46 46 ALA HA H 46 3.703 4.036 -0.333 1
1 380 . 2 1 1 A 46 46 ALA N N 46 130.693 123.242 7.451 1
1 381 . 2 1 1 A 47 47 ARG H H 47 7.335 7.821 -0.486 1
1 382 . 2 1 1 A 47 47 ARG HA H 47 4.034 4.180 -0.146 1
1 390 . 2 1 1 A 47 47 ARG N N 47 113.301 117.354 -4.053 1
1 392 . 2 1 1 A 48 48 ASN H H 48 7.393 8.188 -0.795 1
1 393 . 2 1 1 A 48 48 ASN HA H 48 5.073 4.675 0.398 1
1 398 . 2 1 1 A 48 48 ASN N N 48 116.377 114.244 2.133 1
1 400 . 2 1 1 A 49 49 GLY H H 49 8.146 8.183 -0.037 1
1 401 . 2 1 1 A 49 49 GLY HA2 H 49 4.023 3.891 0.132 1
1 402 . 2 1 1 A 49 49 GLY HA3 H 49 3.943 3.899 0.044 1
1 403 . 2 1 1 A 49 49 GLY N N 49 109.272 109.922 -0.650 1
1 404 . 2 1 1 A 50 50 GLY H H 50 8.422 8.613 -0.191 1
1 405 . 2 1 1 A 50 50 GLY HA2 H 50 4.440 3.972 0.468 1
1 406 . 2 1 1 A 50 50 GLY HA3 H 50 3.450 4.075 -0.625 1
1 407 . 2 1 1 A 50 50 GLY N N 50 106.705 107.491 -0.786 1
1 408 . 2 1 1 A 51 51 ASP H H 51 6.672 8.567 -1.895 1
1 409 . 2 1 1 A 51 51 ASP HA H 51 4.601 4.812 -0.211 1
1 412 . 2 1 1 A 51 51 ASP N N 51 118.848 120.679 -1.831 1
1 413 . 2 1 1 A 52 52 MET H H 52 9.118 8.461 0.657 1
1 414 . 2 1 1 A 52 52 MET HA H 52 4.302 4.436 -0.134 1
1 419 . 2 1 1 A 52 52 MET N N 52 126.094 122.923 3.171 1
1 420 . 2 1 1 A 53 53 GLY H H 53 8.274 7.513 0.761 1
1 421 . 2 1 1 A 53 53 GLY HA2 H 53 4.049 4.021 0.028 1
1 422 . 2 1 1 A 53 53 GLY HA3 H 53 3.315 4.078 -0.763 1
1 423 . 2 1 1 A 53 53 GLY N N 53 107.535 107.206 0.329 1
1 424 . 2 1 1 A 54 54 TRP H H 54 8.154 8.433 -0.279 1
1 425 . 2 1 1 A 54 54 TRP HA H 54 4.233 5.003 -0.770 1
1 434 . 2 1 1 A 54 54 TRP N N 54 117.028 121.999 -4.971 1
1 436 . 2 1 1 A 55 55 LEU H H 55 8.910 9.228 -0.318 1
1 437 . 2 1 1 A 55 55 LEU HA H 55 4.753 5.267 -0.514 1
1 447 . 2 1 1 A 55 55 LEU N N 55 125.087 121.010 4.077 1
1 448 . 2 1 1 A 56 56 GLU H H 56 8.213 8.414 -0.201 1
1 449 . 2 1 1 A 56 56 GLU HA H 56 4.601 4.588 0.013 1
1 454 . 2 1 1 A 56 56 GLU N N 56 120.058 118.988 1.070 1
1 455 . 2 1 1 A 57 57 ASP H H 57 8.706 9.517 -0.811 1
1 456 . 2 1 1 A 57 57 ASP HA H 57 4.256 4.471 -0.215 1
1 459 . 2 1 1 A 57 57 ASP N N 57 123.804 124.066 -0.262 1
1 460 . 2 1 1 A 58 58 ALA H H 58 8.566 8.755 -0.189 1
1 461 . 2 1 1 A 58 58 ALA HA H 58 4.129 4.062 0.067 1
1 465 . 2 1 1 A 58 58 ALA N N 58 117.470 123.272 -5.802 1
1 466 . 2 1 1 A 59 59 THR H H 59 7.873 7.810 0.063 1
1 467 . 2 1 1 A 59 59 THR HA H 59 4.382 4.578 -0.196 1
1 472 . 2 1 1 A 59 59 THR N N 59 106.456 109.827 -3.371 1
1 473 . 2 1 1 A 60 60 ILE H H 60 7.294 7.554 -0.260 1
1 474 . 2 1 1 A 60 60 ILE HA H 60 4.095 4.245 -0.150 1
1 484 . 2 1 1 A 60 60 ILE N N 60 124.761 124.071 0.690 1
1 485 . 2 1 1 A 61 61 PRO HA H 61 4.365 4.531 -0.166 1
1 492 . 2 1 1 A 62 62 ASP H H 62 8.969 8.606 0.363 1
1 493 . 2 1 1 A 62 62 ASP HA H 62 4.072 4.270 -0.198 1
1 496 . 2 1 1 A 62 62 ASP N N 62 125.215 121.852 3.363 1
1 497 . 2 1 1 A 63 63 GLU H H 63 9.542 8.448 1.094 1
1 498 . 2 1 1 A 63 63 GLU HA H 63 3.841 4.086 -0.245 1
1 503 . 2 1 1 A 63 63 GLU N N 63 116.092 119.314 -3.222 1
1 504 . 2 1 1 A 64 64 LEU H H 64 6.892 7.594 -0.702 1
1 505 . 2 1 1 A 64 64 LEU HA H 64 3.829 4.016 -0.187 1
1 515 . 2 1 1 A 64 64 LEU N N 64 116.203 120.458 -4.255 1
1 516 . 2 1 1 A 65 65 LYS H H 65 7.635 7.862 -0.227 1
1 517 . 2 1 1 A 65 65 LYS HA H 65 3.829 3.877 -0.048 1
1 526 . 2 1 1 A 65 65 LYS N N 65 120.789 120.258 0.531 1
1 527 . 2 1 1 A 66 66 ASN H H 66 8.270 7.781 0.489 1
1 528 . 2 1 1 A 66 66 ASN HA H 66 4.502 4.578 -0.076 1
1 533 . 2 1 1 A 66 66 ASN N N 66 114.881 116.686 -1.805 1
1 535 . 2 1 1 A 67 67 ALA H H 67 7.136 7.406 -0.270 1
1 536 . 2 1 1 A 67 67 ALA HA H 67 4.095 4.205 -0.110 1
1 540 . 2 1 1 A 67 67 ALA N N 67 120.993 119.459 1.534 1
1 541 . 2 1 1 A 68 68 GLY H H 68 7.654 7.671 -0.017 1
1 542 . 2 1 1 A 68 68 GLY HA2 H 68 3.715 3.916 -0.201 1
1 543 . 2 1 1 A 68 68 GLY HA3 H 68 3.714 3.922 -0.208 1
1 544 . 2 1 1 A 68 68 GLY N N 68 104.575 107.518 -2.943 1
1 545 . 2 1 1 A 69 69 LEU H H 69 8.208 8.060 0.148 1
1 546 . 2 1 1 A 69 69 LEU HA H 69 4.002 4.533 -0.531 1
1 556 . 2 1 1 A 69 69 LEU N N 69 119.478 122.630 -3.152 1
1 557 . 2 1 1 A 70 70 LYS H H 70 8.525 9.015 -0.490 1
1 558 . 2 1 1 A 70 70 LYS HA H 70 4.342 4.441 -0.099 1
1 567 . 2 1 1 A 70 70 LYS N N 70 120.087 126.677 -6.590 1
1 568 . 2 1 1 A 71 71 GLU H H 71 7.727 7.797 -0.070 1
1 569 . 2 1 1 A 71 71 GLU HA H 71 4.532 4.762 -0.230 1
1 574 . 2 1 1 A 71 71 GLU N N 71 118.339 119.728 -1.389 1
1 575 . 2 1 1 A 72 72 LYS H H 72 8.574 8.656 -0.082 1
1 576 . 2 1 1 A 72 72 LYS HA H 72 3.519 3.843 -0.324 1
1 585 . 2 1 1 A 72 72 LYS N N 72 122.270 127.119 -4.849 1
1 586 . 2 1 1 A 73 73 GLY H H 73 9.551 8.867 0.684 1
1 587 . 2 1 1 A 73 73 GLY HA2 H 73 4.148 3.973 0.175 1
1 588 . 2 1 1 A 73 73 GLY HA3 H 73 3.349 3.987 -0.638 1
1 589 . 2 1 1 A 73 73 GLY N N 73 114.854 114.934 -0.080 1
1 590 . 2 1 1 A 74 74 GLN H H 74 7.926 7.505 0.421 1
1 591 . 2 1 1 A 74 74 GLN HA H 74 3.979 4.481 -0.502 1
1 598 . 2 1 1 A 74 74 GLN N N 74 122.200 121.363 0.837 1
1 600 . 2 1 1 A 75 75 LEU H H 75 8.130 8.455 -0.325 1
1 601 . 2 1 1 A 75 75 LEU HA H 75 5.187 4.893 0.294 1
1 611 . 2 1 1 A 75 75 LEU N N 75 124.036 122.967 1.069 1
1 612 . 2 1 1 A 76 76 SER H H 76 9.245 8.924 0.321 1
1 613 . 2 1 1 A 76 76 SER HA H 76 4.382 4.162 0.220 1
1 616 . 2 1 1 A 76 76 SER N N 76 119.351 115.332 4.019 1
1 617 . 2 1 1 A 77 77 GLY H H 77 7.656 7.817 -0.161 1
1 618 . 2 1 1 A 77 77 GLY HA2 H 77 4.371 4.202 0.169 1
1 619 . 2 1 1 A 77 77 GLY HA3 H 77 3.611 4.208 -0.597 1
1 620 . 2 1 1 A 77 77 GLY N N 77 102.417 107.957 -5.540 1
1 621 . 2 1 1 A 78 78 VAL H H 78 8.421 9.526 -1.105 1
1 622 . 2 1 1 A 78 78 VAL HA H 78 3.853 4.922 -1.069 1
1 630 . 2 1 1 A 78 78 VAL N N 78 118.736 126.362 -7.626 1
1 631 . 2 1 1 A 79 79 ILE H H 79 9.387 9.944 -0.557 1
1 632 . 2 1 1 A 79 79 ILE HA H 79 4.210 4.811 -0.601 1
1 642 . 2 1 1 A 79 79 ILE N N 79 132.591 128.928 3.663 1
1 643 . 2 1 1 A 80 80 LYS H H 80 8.628 8.803 -0.175 1
1 644 . 2 1 1 A 80 80 LYS HA H 80 3.922 4.456 -0.534 1
1 653 . 2 1 1 A 80 80 LYS N N 80 128.368 129.446 -1.078 1
1 654 . 2 1 1 A 81 81 SER H H 81 7.919 8.380 -0.461 1
1 655 . 2 1 1 A 81 81 SER HA H 81 3.703 4.796 -1.093 1
1 658 . 2 1 1 A 81 81 SER N N 81 122.449 124.316 -1.867 1
1 659 . 2 1 1 A 82 82 SER H H 82 8.566 8.918 -0.352 1
1 660 . 2 1 1 A 82 82 SER HA H 82 4.019 4.226 -0.207 1
1 663 . 2 1 1 A 82 82 SER N N 82 117.460 118.332 -0.872 1
1 664 . 2 1 1 A 83 83 VAL H H 83 7.232 7.547 -0.315 1
1 665 . 2 1 1 A 83 83 VAL HA H 83 4.182 4.129 0.053 1
1 673 . 2 1 1 A 83 83 VAL N N 83 113.299 114.240 -0.941 1
1 674 . 2 1 1 A 84 84 GLY H H 84 7.160 7.300 -0.140 1
1 675 . 2 1 1 A 84 84 GLY HA2 H 84 4.194 4.090 0.104 1
1 676 . 2 1 1 A 84 84 GLY HA3 H 84 3.509 4.114 -0.605 1
1 677 . 2 1 1 A 84 84 GLY N N 84 109.922 109.083 0.839 1
1 678 . 2 1 1 A 85 85 PHE H H 85 8.583 8.843 -0.260 1
1 679 . 2 1 1 A 85 85 PHE HA H 85 4.935 5.273 -0.338 1
1 687 . 2 1 1 A 85 85 PHE N N 85 122.045 119.902 2.143 1
1 688 . 2 1 1 A 86 86 LEU H H 86 9.525 9.430 0.095 1
1 689 . 2 1 1 A 86 86 LEU HA H 86 5.476 5.193 0.283 1
1 699 . 2 1 1 A 86 86 LEU N N 86 121.224 124.381 -3.157 1
1 700 . 2 1 1 A 87 87 ILE H H 87 8.479 9.461 -0.982 1
1 701 . 2 1 1 A 87 87 ILE HA H 87 4.002 5.096 -1.094 1
1 711 . 2 1 1 A 87 87 ILE N N 87 119.241 127.212 -7.971 1
1 712 . 2 1 1 A 88 88 VAL H H 88 8.838 9.448 -0.610 1
1 713 . 2 1 1 A 88 88 VAL HA H 88 4.935 5.109 -0.174 1
1 721 . 2 1 1 A 88 88 VAL N N 88 125.698 128.667 -2.969 1
1 722 . 2 1 1 A 89 89 ARG H H 89 9.061 9.015 0.046 1
1 723 . 2 1 1 A 89 89 ARG HA H 89 5.200 4.743 0.457 1
1 731 . 2 1 1 A 89 89 ARG N N 89 126.677 127.848 -1.171 1
1 733 . 2 1 1 A 90 90 LEU H H 90 8.047 8.616 -0.569 1
1 734 . 2 1 1 A 90 90 LEU HA H 90 4.164 4.358 -0.194 1
1 744 . 2 1 1 A 90 90 LEU N N 90 127.853 128.403 -0.550 1
1 745 . 2 1 1 A 91 91 ASP H H 91 8.569 8.838 -0.269 1
1 746 . 2 1 1 A 91 91 ASP HA H 91 4.491 4.465 0.026 1
1 749 . 2 1 1 A 91 91 ASP N N 91 128.030 126.510 1.520 1
1 750 . 2 1 1 A 92 92 ASP H H 92 7.672 7.089 0.583 1
1 751 . 2 1 1 A 92 92 ASP HA H 92 4.555 4.884 -0.329 1
1 754 . 2 1 1 A 92 92 ASP N N 92 115.964 117.022 -1.058 1
1 755 . 2 1 1 A 93 93 ILE H H 93 8.889 8.427 0.462 1
1 756 . 2 1 1 A 93 93 ILE HA H 93 4.751 4.992 -0.241 1
1 766 . 2 1 1 A 93 93 ILE N N 93 120.472 122.242 -1.770 1
1 767 . 2 1 1 A 94 94 GLN H H 94 8.851 9.199 -0.348 1
1 768 . 2 1 1 A 94 94 GLN HA H 94 4.422 4.809 -0.387 1
1 775 . 2 1 1 A 94 94 GLN N N 94 126.658 124.381 2.277 1
1 777 . 2 1 1 A 95 95 ALA H H 95 8.525 8.317 0.208 1
1 778 . 2 1 1 A 95 95 ALA HA H 95 4.210 4.449 -0.239 1
1 782 . 2 1 1 A 95 95 ALA N N 95 127.085 125.396 1.689 1
1 783 . 2 1 1 A 96 96 ALA H H 96 8.308 8.018 0.290 1
1 784 . 2 1 1 A 96 96 ALA HA H 96 4.036 3.625 0.411 1
1 788 . 2 1 1 A 96 96 ALA N N 96 122.992 115.320 7.672 1
1 789 . 2 1 1 A 97 97 HIS H H 97 8.197 7.986 0.211 1
1 790 . 2 1 1 A 97 97 HIS HA H 97 4.463 4.785 -0.322 1
1 793 . 2 1 1 A 97 97 HIS N N 97 118.058 117.399 0.659 1
1 6 . 3 1 1 A 2 2 GLN H H 2 8.503 7.791 0.712 1
1 7 . 3 1 1 A 2 2 GLN HA H 2 4.532 4.548 -0.016 1
1 14 . 3 1 1 A 2 2 GLN N N 2 125.165 120.987 4.178 1
1 16 . 3 1 1 A 3 3 PRO HA H 3 4.217 4.634 -0.417 1
1 23 . 3 1 1 A 4 4 GLN H H 4 8.492 8.367 0.125 1
1 24 . 3 1 1 A 4 4 GLN HA H 4 4.382 4.325 0.057 1
1 31 . 3 1 1 A 4 4 GLN N N 4 120.871 118.475 2.396 1
1 33 . 3 1 1 A 5 5 ARG H H 5 8.365 8.371 -0.006 1
1 34 . 3 1 1 A 5 5 ARG HA H 5 5.165 5.397 -0.232 1
1 42 . 3 1 1 A 5 5 ARG N N 5 121.503 121.771 -0.268 1
1 44 . 3 1 1 A 6 6 THR H H 6 8.801 8.929 -0.128 1
1 45 . 3 1 1 A 6 6 THR HA H 6 4.751 4.967 -0.216 1
1 50 . 3 1 1 A 6 6 THR N N 6 116.539 116.323 0.216 1
1 51 . 3 1 1 A 7 7 ARG H H 7 8.337 8.707 -0.370 1
1 52 . 3 1 1 A 7 7 ARG HA H 7 4.567 4.249 0.318 1
1 60 . 3 1 1 A 7 7 ARG N N 7 129.822 126.381 3.441 1
1 62 . 3 1 1 A 8 8 TYR H H 8 7.810 8.242 -0.432 1
1 63 . 3 1 1 A 8 8 TYR HA H 8 5.211 4.893 0.318 1
1 70 . 3 1 1 A 8 8 TYR N N 8 125.080 127.051 -1.971 1
1 71 . 3 1 1 A 9 9 SER H H 9 8.654 8.663 -0.009 1
1 72 . 3 1 1 A 9 9 SER HA H 9 5.361 5.555 -0.194 1
1 75 . 3 1 1 A 9 9 SER N N 9 114.459 117.852 -3.393 1
1 76 . 3 1 1 A 10 10 ILE H H 10 9.112 9.094 0.018 1
1 77 . 3 1 1 A 10 10 ILE HA H 10 5.709 5.744 -0.035 1
1 87 . 3 1 1 A 10 10 ILE N N 10 116.723 120.316 -3.593 1
1 88 . 3 1 1 A 11 11 ILE H H 11 8.827 9.023 -0.196 1
1 89 . 3 1 1 A 11 11 ILE HA H 11 3.630 5.043 -1.413 1
1 99 . 3 1 1 A 11 11 ILE N N 11 122.843 121.330 1.513 1
1 100 . 3 1 1 A 12 12 GLN H H 12 8.047 9.022 -0.975 1
1 101 . 3 1 1 A 12 12 GLN HA H 12 5.529 4.897 0.632 1
1 108 . 3 1 1 A 12 12 GLN N N 12 127.853 124.331 3.522 1
1 110 . 3 1 1 A 13 13 THR H H 13 9.657 9.547 0.110 1
1 111 . 3 1 1 A 13 13 THR HA H 13 5.050 4.951 0.099 1
1 116 . 3 1 1 A 13 13 THR N N 13 117.094 117.097 -0.003 1
1 117 . 3 1 1 A 14 14 LYS H H 14 9.035 9.012 0.023 1
1 118 . 3 1 1 A 14 14 LYS HA H 14 4.463 4.317 0.146 1
1 130 . 3 1 1 A 14 14 LYS N N 14 119.457 121.641 -2.184 1
1 131 . 3 1 1 A 15 15 THR H H 15 7.527 7.608 -0.081 1
1 132 . 3 1 1 A 15 15 THR HA H 15 4.785 4.805 -0.020 1
1 137 . 3 1 1 A 15 15 THR N N 15 104.566 110.245 -5.679 1
1 138 . 3 1 1 A 16 16 GLU H H 16 8.454 8.387 0.067 1
1 139 . 3 1 1 A 16 16 GLU HA H 16 4.101 2.951 1.150 1
1 144 . 3 1 1 A 16 16 GLU N N 16 127.134 121.656 5.478 1
1 145 . 3 1 1 A 17 17 ASP H H 17 8.335 8.322 0.013 1
1 146 . 3 1 1 A 17 17 ASP HA H 17 4.095 4.227 -0.132 1
1 149 . 3 1 1 A 17 17 ASP N N 17 117.583 119.574 -1.991 1
1 150 . 3 1 1 A 18 18 GLU H H 18 7.362 7.885 -0.523 1
1 151 . 3 1 1 A 18 18 GLU HA H 18 4.106 3.958 0.148 1
1 156 . 3 1 1 A 18 18 GLU N N 18 118.999 118.193 0.806 1
1 157 . 3 1 1 A 19 19 ALA H H 19 7.050 7.884 -0.834 1
1 158 . 3 1 1 A 19 19 ALA HA H 19 3.692 4.051 -0.359 1
1 162 . 3 1 1 A 19 19 ALA N N 19 123.146 122.369 0.777 1
1 163 . 3 1 1 A 20 20 LYS H H 20 8.335 8.276 0.059 1
1 164 . 3 1 1 A 20 20 LYS HA H 20 3.600 3.925 -0.325 1
1 173 . 3 1 1 A 20 20 LYS N N 20 117.583 116.890 0.693 1
1 174 . 3 1 1 A 21 21 ALA H H 21 7.522 7.506 0.016 1
1 175 . 3 1 1 A 21 21 ALA HA H 21 4.091 4.046 0.045 1
1 179 . 3 1 1 A 21 21 ALA N N 21 121.260 122.206 -0.946 1
1 180 . 3 1 1 A 22 22 VAL H H 22 7.670 7.510 0.160 1
1 181 . 3 1 1 A 22 22 VAL HA H 22 3.484 3.554 -0.070 1
1 189 . 3 1 1 A 22 22 VAL N N 22 120.352 118.389 1.963 1
1 190 . 3 1 1 A 23 23 LEU H H 23 8.175 8.429 -0.254 1
1 191 . 3 1 1 A 23 23 LEU HA H 23 3.874 4.001 -0.127 1
1 201 . 3 1 1 A 23 23 LEU N N 23 121.296 118.087 3.209 1
1 202 . 3 1 1 A 24 24 ASP H H 24 7.997 8.637 -0.640 1
1 203 . 3 1 1 A 24 24 ASP HA H 24 4.290 4.250 0.040 1
1 206 . 3 1 1 A 24 24 ASP N N 24 118.344 119.189 -0.845 1
1 207 . 3 1 1 A 25 25 GLU H H 25 7.488 7.489 -0.001 1
1 208 . 3 1 1 A 25 25 GLU HA H 25 3.874 4.128 -0.254 1
1 213 . 3 1 1 A 25 25 GLU N N 25 118.292 119.739 -1.447 1
1 214 . 3 1 1 A 26 26 LEU H H 26 8.574 8.139 0.435 1
1 215 . 3 1 1 A 26 26 LEU HA H 26 3.784 4.215 -0.431 1
1 225 . 3 1 1 A 26 26 LEU N N 26 122.270 120.144 2.126 1
1 226 . 3 1 1 A 27 27 ASN H H 27 8.663 8.093 0.570 1
1 227 . 3 1 1 A 27 27 ASN HA H 27 4.520 4.520 0.000 1
1 232 . 3 1 1 A 27 27 ASN N N 27 120.178 118.157 2.021 1
1 234 . 3 1 1 A 28 28 LYS H H 28 7.339 7.534 -0.195 1
1 235 . 3 1 1 A 28 28 LYS HA H 28 4.331 4.353 -0.022 1
1 247 . 3 1 1 A 28 28 LYS N N 28 118.773 116.943 1.830 1
1 248 . 3 1 1 A 29 29 GLY H H 29 7.680 7.841 -0.161 1
1 249 . 3 1 1 A 29 29 GLY HA2 H 29 4.290 3.995 0.295 1
1 250 . 3 1 1 A 29 29 GLY HA3 H 29 3.703 4.017 -0.314 1
1 251 . 3 1 1 A 29 29 GLY N N 29 106.818 107.930 -1.112 1
1 252 . 3 1 1 A 30 30 GLY H H 30 8.241 8.195 0.046 1
1 253 . 3 1 1 A 30 30 GLY HA2 H 30 3.887 3.804 0.083 1
1 254 . 3 1 1 A 30 30 GLY HA3 H 30 3.128 3.807 -0.679 1
1 255 . 3 1 1 A 30 30 GLY N N 30 108.169 106.228 1.941 1
1 256 . 3 1 1 A 31 31 ASP H H 31 8.471 8.037 0.434 1
1 257 . 3 1 1 A 31 31 ASP HA H 31 4.555 4.990 -0.435 1
1 260 . 3 1 1 A 31 31 ASP N N 31 122.396 118.112 4.284 1
1 261 . 3 1 1 A 32 32 PHE H H 32 8.754 9.004 -0.250 1
1 262 . 3 1 1 A 32 32 PHE HA H 32 3.484 4.061 -0.577 1
1 270 . 3 1 1 A 32 32 PHE N N 32 129.042 126.341 2.701 1
1 271 . 3 1 1 A 33 33 ALA H H 33 8.099 8.224 -0.125 1
1 272 . 3 1 1 A 33 33 ALA HA H 33 4.451 4.105 0.346 1
1 276 . 3 1 1 A 33 33 ALA N N 33 118.535 121.333 -2.798 1
1 277 . 3 1 1 A 34 34 ALA H H 34 7.888 7.839 0.049 1
1 278 . 3 1 1 A 34 34 ALA HA H 34 3.945 4.059 -0.114 1
1 282 . 3 1 1 A 34 34 ALA N N 34 120.695 120.515 0.180 1
1 283 . 3 1 1 A 35 35 LEU H H 35 8.135 8.022 0.113 1
1 284 . 3 1 1 A 35 35 LEU HA H 35 3.874 3.774 0.100 1
1 294 . 3 1 1 A 35 35 LEU N N 35 119.988 118.848 1.140 1
1 295 . 3 1 1 A 36 36 ALA H H 36 8.833 8.505 0.328 1
1 296 . 3 1 1 A 36 36 ALA HA H 36 3.623 3.847 -0.224 1
1 300 . 3 1 1 A 36 36 ALA N N 36 123.123 121.250 1.873 1
1 301 . 3 1 1 A 37 37 LYS H H 37 7.838 7.679 0.159 1
1 302 . 3 1 1 A 37 37 LYS HA H 37 3.874 4.114 -0.240 1
1 311 . 3 1 1 A 37 37 LYS N N 37 115.868 117.259 -1.391 1
1 312 . 3 1 1 A 38 38 GLU H H 38 7.398 7.416 -0.018 1
1 313 . 3 1 1 A 38 38 GLU HA H 38 4.103 4.031 0.072 1
1 318 . 3 1 1 A 38 38 GLU N N 38 115.281 120.146 -4.865 1
1 319 . 3 1 1 A 39 39 LYS H H 39 8.495 7.418 1.077 1
1 320 . 3 1 1 A 39 39 LYS HA H 39 4.411 4.450 -0.039 1
1 329 . 3 1 1 A 39 39 LYS N N 39 113.533 116.511 -2.978 1
1 330 . 3 1 1 A 40 40 SER H H 40 8.188 7.651 0.537 1
1 331 . 3 1 1 A 40 40 SER HA H 40 4.198 4.451 -0.253 1
1 334 . 3 1 1 A 40 40 SER N N 40 111.913 116.282 -4.369 1
1 335 . 3 1 1 A 41 41 ALA H H 41 9.472 9.254 0.218 1
1 336 . 3 1 1 A 41 41 ALA HA H 41 4.210 4.313 -0.103 1
1 340 . 3 1 1 A 41 41 ALA N N 41 128.478 126.325 2.153 1
1 341 . 3 1 1 A 42 42 ASP H H 42 7.328 8.114 -0.786 1
1 342 . 3 1 1 A 42 42 ASP HA H 42 4.659 4.452 0.207 1
1 345 . 3 1 1 A 42 42 ASP N N 42 118.084 118.440 -0.356 1
1 346 . 3 1 1 A 43 43 ILE H H 43 7.813 7.646 0.167 1
1 347 . 3 1 1 A 43 43 ILE HA H 43 3.715 3.833 -0.118 1
1 357 . 3 1 1 A 43 43 ILE N N 43 124.158 116.924 7.234 1
1 358 . 3 1 1 A 44 44 ILE H H 44 7.765 7.495 0.270 1
1 359 . 3 1 1 A 44 44 ILE HA H 44 3.680 3.852 -0.172 1
1 369 . 3 1 1 A 44 44 ILE N N 44 118.644 121.376 -2.732 1
1 370 . 3 1 1 A 45 45 SER H H 45 7.131 8.519 -1.388 1
1 371 . 3 1 1 A 45 45 SER HA H 45 4.348 4.677 -0.329 1
1 374 . 3 1 1 A 45 45 SER N N 45 112.128 111.646 0.482 1
1 375 . 3 1 1 A 46 46 ALA H H 46 8.750 7.726 1.024 1
1 376 . 3 1 1 A 46 46 ALA HA H 46 3.703 4.066 -0.363 1
1 380 . 3 1 1 A 46 46 ALA N N 46 130.693 125.511 5.182 1
1 381 . 3 1 1 A 47 47 ARG H H 47 7.335 7.647 -0.312 1
1 382 . 3 1 1 A 47 47 ARG HA H 47 4.034 4.185 -0.151 1
1 390 . 3 1 1 A 47 47 ARG N N 47 113.301 118.476 -5.175 1
1 392 . 3 1 1 A 48 48 ASN H H 48 7.393 8.018 -0.625 1
1 393 . 3 1 1 A 48 48 ASN HA H 48 5.073 4.675 0.398 1
1 398 . 3 1 1 A 48 48 ASN N N 48 116.377 113.568 2.809 1
1 400 . 3 1 1 A 49 49 GLY H H 49 8.146 8.287 -0.141 1
1 401 . 3 1 1 A 49 49 GLY HA2 H 49 4.023 3.908 0.115 1
1 402 . 3 1 1 A 49 49 GLY HA3 H 49 3.943 3.913 0.030 1
1 403 . 3 1 1 A 49 49 GLY N N 49 109.272 109.554 -0.282 1
1 404 . 3 1 1 A 50 50 GLY H H 50 8.422 8.313 0.109 1
1 405 . 3 1 1 A 50 50 GLY HA2 H 50 4.440 3.945 0.495 1
1 406 . 3 1 1 A 50 50 GLY HA3 H 50 3.450 4.036 -0.586 1
1 407 . 3 1 1 A 50 50 GLY N N 50 106.705 107.695 -0.990 1
1 408 . 3 1 1 A 51 51 ASP H H 51 6.672 8.144 -1.472 1
1 409 . 3 1 1 A 51 51 ASP HA H 51 4.601 4.606 -0.005 1
1 412 . 3 1 1 A 51 51 ASP N N 51 118.848 120.581 -1.733 1
1 413 . 3 1 1 A 52 52 MET H H 52 9.118 8.990 0.128 1
1 414 . 3 1 1 A 52 52 MET HA H 52 4.302 4.447 -0.145 1
1 419 . 3 1 1 A 52 52 MET N N 52 126.094 124.568 1.526 1
1 420 . 3 1 1 A 53 53 GLY H H 53 8.274 7.500 0.774 1
1 421 . 3 1 1 A 53 53 GLY HA2 H 53 4.049 3.982 0.067 1
1 422 . 3 1 1 A 53 53 GLY HA3 H 53 3.315 4.060 -0.745 1
1 423 . 3 1 1 A 53 53 GLY N N 53 107.535 105.656 1.879 1
1 424 . 3 1 1 A 54 54 TRP H H 54 8.154 8.400 -0.246 1
1 425 . 3 1 1 A 54 54 TRP HA H 54 4.233 5.020 -0.787 1
1 434 . 3 1 1 A 54 54 TRP N N 54 117.028 122.221 -5.193 1
1 436 . 3 1 1 A 55 55 LEU H H 55 8.910 9.104 -0.194 1
1 437 . 3 1 1 A 55 55 LEU HA H 55 4.753 5.252 -0.499 1
1 447 . 3 1 1 A 55 55 LEU N N 55 125.087 121.205 3.882 1
1 448 . 3 1 1 A 56 56 GLU H H 56 8.213 8.655 -0.442 1
1 449 . 3 1 1 A 56 56 GLU HA H 56 4.601 4.677 -0.076 1
1 454 . 3 1 1 A 56 56 GLU N N 56 120.058 119.016 1.042 1
1 455 . 3 1 1 A 57 57 ASP H H 57 8.706 9.562 -0.856 1
1 456 . 3 1 1 A 57 57 ASP HA H 57 4.256 4.413 -0.157 1
1 459 . 3 1 1 A 57 57 ASP N N 57 123.804 124.437 -0.633 1
1 460 . 3 1 1 A 58 58 ALA H H 58 8.566 8.794 -0.228 1
1 461 . 3 1 1 A 58 58 ALA HA H 58 4.129 4.062 0.067 1
1 465 . 3 1 1 A 58 58 ALA N N 58 117.470 122.696 -5.226 1
1 466 . 3 1 1 A 59 59 THR H H 59 7.873 7.980 -0.107 1
1 467 . 3 1 1 A 59 59 THR HA H 59 4.382 4.597 -0.215 1
1 472 . 3 1 1 A 59 59 THR N N 59 106.456 109.865 -3.409 1
1 473 . 3 1 1 A 60 60 ILE H H 60 7.294 7.527 -0.233 1
1 474 . 3 1 1 A 60 60 ILE HA H 60 4.095 4.268 -0.173 1
1 484 . 3 1 1 A 60 60 ILE N N 60 124.761 123.776 0.985 1
1 485 . 3 1 1 A 61 61 PRO HA H 61 4.365 4.555 -0.190 1
1 492 . 3 1 1 A 62 62 ASP H H 62 8.969 8.761 0.208 1
1 493 . 3 1 1 A 62 62 ASP HA H 62 4.072 4.280 -0.208 1
1 496 . 3 1 1 A 62 62 ASP N N 62 125.215 123.640 1.575 1
1 497 . 3 1 1 A 63 63 GLU H H 63 9.542 8.454 1.088 1
1 498 . 3 1 1 A 63 63 GLU HA H 63 3.841 4.053 -0.212 1
1 503 . 3 1 1 A 63 63 GLU N N 63 116.092 119.998 -3.906 1
1 504 . 3 1 1 A 64 64 LEU H H 64 6.892 7.811 -0.919 1
1 505 . 3 1 1 A 64 64 LEU HA H 64 3.829 4.014 -0.185 1
1 515 . 3 1 1 A 64 64 LEU N N 64 116.203 120.318 -4.115 1
1 516 . 3 1 1 A 65 65 LYS H H 65 7.635 7.610 0.025 1
1 517 . 3 1 1 A 65 65 LYS HA H 65 3.829 3.971 -0.142 1
1 526 . 3 1 1 A 65 65 LYS N N 65 120.789 120.114 0.675 1
1 527 . 3 1 1 A 66 66 ASN H H 66 8.270 7.552 0.718 1
1 528 . 3 1 1 A 66 66 ASN HA H 66 4.502 4.599 -0.097 1
1 533 . 3 1 1 A 66 66 ASN N N 66 114.881 117.291 -2.410 1
1 535 . 3 1 1 A 67 67 ALA H H 67 7.136 7.346 -0.210 1
1 536 . 3 1 1 A 67 67 ALA HA H 67 4.095 4.180 -0.085 1
1 540 . 3 1 1 A 67 67 ALA N N 67 120.993 119.595 1.398 1
1 541 . 3 1 1 A 68 68 GLY H H 68 7.654 7.705 -0.051 1
1 542 . 3 1 1 A 68 68 GLY HA2 H 68 3.715 3.914 -0.199 1
1 543 . 3 1 1 A 68 68 GLY HA3 H 68 3.714 3.920 -0.206 1
1 544 . 3 1 1 A 68 68 GLY N N 68 104.575 107.562 -2.987 1
1 545 . 3 1 1 A 69 69 LEU H H 69 8.208 8.002 0.206 1
1 546 . 3 1 1 A 69 69 LEU HA H 69 4.002 4.612 -0.610 1
1 556 . 3 1 1 A 69 69 LEU N N 69 119.478 123.008 -3.530 1
1 557 . 3 1 1 A 70 70 LYS H H 70 8.525 8.278 0.247 1
1 558 . 3 1 1 A 70 70 LYS HA H 70 4.342 4.545 -0.203 1
1 567 . 3 1 1 A 70 70 LYS N N 70 120.087 124.023 -3.936 1
1 568 . 3 1 1 A 71 71 GLU H H 71 7.727 8.076 -0.349 1
1 569 . 3 1 1 A 71 71 GLU HA H 71 4.532 4.773 -0.241 1
1 574 . 3 1 1 A 71 71 GLU N N 71 118.339 118.335 0.004 1
1 575 . 3 1 1 A 72 72 LYS H H 72 8.574 8.644 -0.070 1
1 576 . 3 1 1 A 72 72 LYS HA H 72 3.519 3.810 -0.291 1
1 585 . 3 1 1 A 72 72 LYS N N 72 122.270 125.082 -2.812 1
1 586 . 3 1 1 A 73 73 GLY H H 73 9.551 8.913 0.638 1
1 587 . 3 1 1 A 73 73 GLY HA2 H 73 4.148 3.927 0.221 1
1 588 . 3 1 1 A 73 73 GLY HA3 H 73 3.349 3.937 -0.588 1
1 589 . 3 1 1 A 73 73 GLY N N 73 114.854 114.814 0.040 1
1 590 . 3 1 1 A 74 74 GLN H H 74 7.926 7.683 0.243 1
1 591 . 3 1 1 A 74 74 GLN HA H 74 3.979 4.466 -0.487 1
1 598 . 3 1 1 A 74 74 GLN N N 74 122.200 121.395 0.805 1
1 600 . 3 1 1 A 75 75 LEU H H 75 8.130 8.522 -0.392 1
1 601 . 3 1 1 A 75 75 LEU HA H 75 5.187 4.911 0.276 1
1 611 . 3 1 1 A 75 75 LEU N N 75 124.036 121.924 2.112 1
1 612 . 3 1 1 A 76 76 SER H H 76 9.245 8.878 0.367 1
1 613 . 3 1 1 A 76 76 SER HA H 76 4.382 4.180 0.202 1
1 616 . 3 1 1 A 76 76 SER N N 76 119.351 115.102 4.249 1
1 617 . 3 1 1 A 77 77 GLY H H 77 7.656 7.814 -0.158 1
1 618 . 3 1 1 A 77 77 GLY HA2 H 77 4.371 4.051 0.320 1
1 619 . 3 1 1 A 77 77 GLY HA3 H 77 3.611 4.063 -0.452 1
1 620 . 3 1 1 A 77 77 GLY N N 77 102.417 108.925 -6.508 1
1 621 . 3 1 1 A 78 78 VAL H H 78 8.421 9.294 -0.873 1
1 622 . 3 1 1 A 78 78 VAL HA H 78 3.853 4.965 -1.112 1
1 630 . 3 1 1 A 78 78 VAL N N 78 118.736 126.238 -7.502 1
1 631 . 3 1 1 A 79 79 ILE H H 79 9.387 9.766 -0.379 1
1 632 . 3 1 1 A 79 79 ILE HA H 79 4.210 4.633 -0.423 1
1 642 . 3 1 1 A 79 79 ILE N N 79 132.591 128.812 3.779 1
1 643 . 3 1 1 A 80 80 LYS H H 80 8.628 8.652 -0.024 1
1 644 . 3 1 1 A 80 80 LYS HA H 80 3.922 4.384 -0.462 1
1 653 . 3 1 1 A 80 80 LYS N N 80 128.368 129.383 -1.015 1
1 654 . 3 1 1 A 81 81 SER H H 81 7.919 8.245 -0.326 1
1 655 . 3 1 1 A 81 81 SER HA H 81 3.703 4.857 -1.154 1
1 658 . 3 1 1 A 81 81 SER N N 81 122.449 124.423 -1.974 1
1 659 . 3 1 1 A 82 82 SER H H 82 8.566 8.882 -0.316 1
1 660 . 3 1 1 A 82 82 SER HA H 82 4.019 3.990 0.029 1
1 663 . 3 1 1 A 82 82 SER N N 82 117.460 119.272 -1.812 1
1 664 . 3 1 1 A 83 83 VAL H H 83 7.232 7.541 -0.309 1
1 665 . 3 1 1 A 83 83 VAL HA H 83 4.182 4.066 0.116 1
1 673 . 3 1 1 A 83 83 VAL N N 83 113.299 114.975 -1.676 1
1 674 . 3 1 1 A 84 84 GLY H H 84 7.160 7.106 0.054 1
1 675 . 3 1 1 A 84 84 GLY HA2 H 84 4.194 4.052 0.142 1
1 676 . 3 1 1 A 84 84 GLY HA3 H 84 3.509 4.111 -0.602 1
1 677 . 3 1 1 A 84 84 GLY N N 84 109.922 108.658 1.264 1
1 678 . 3 1 1 A 85 85 PHE H H 85 8.583 8.715 -0.132 1
1 679 . 3 1 1 A 85 85 PHE HA H 85 4.935 5.175 -0.240 1
1 687 . 3 1 1 A 85 85 PHE N N 85 122.045 118.965 3.080 1
1 688 . 3 1 1 A 86 86 LEU H H 86 9.525 8.670 0.855 1
1 689 . 3 1 1 A 86 86 LEU HA H 86 5.476 5.380 0.096 1
1 699 . 3 1 1 A 86 86 LEU N N 86 121.224 124.490 -3.266 1
1 700 . 3 1 1 A 87 87 ILE H H 87 8.479 9.484 -1.005 1
1 701 . 3 1 1 A 87 87 ILE HA H 87 4.002 5.209 -1.207 1
1 711 . 3 1 1 A 87 87 ILE N N 87 119.241 125.799 -6.558 1
1 712 . 3 1 1 A 88 88 VAL H H 88 8.838 9.407 -0.569 1
1 713 . 3 1 1 A 88 88 VAL HA H 88 4.935 5.198 -0.263 1
1 721 . 3 1 1 A 88 88 VAL N N 88 125.698 128.572 -2.874 1
1 722 . 3 1 1 A 89 89 ARG H H 89 9.061 9.289 -0.228 1
1 723 . 3 1 1 A 89 89 ARG HA H 89 5.200 4.887 0.313 1
1 731 . 3 1 1 A 89 89 ARG N N 89 126.677 126.751 -0.074 1
1 733 . 3 1 1 A 90 90 LEU H H 90 8.047 8.758 -0.711 1
1 734 . 3 1 1 A 90 90 LEU HA H 90 4.164 4.479 -0.315 1
1 744 . 3 1 1 A 90 90 LEU N N 90 127.853 123.696 4.157 1
1 745 . 3 1 1 A 91 91 ASP H H 91 8.569 8.815 -0.246 1
1 746 . 3 1 1 A 91 91 ASP HA H 91 4.491 4.489 0.002 1
1 749 . 3 1 1 A 91 91 ASP N N 91 128.030 126.387 1.643 1
1 750 . 3 1 1 A 92 92 ASP H H 92 7.672 7.141 0.531 1
1 751 . 3 1 1 A 92 92 ASP HA H 92 4.555 4.930 -0.375 1
1 754 . 3 1 1 A 92 92 ASP N N 92 115.964 117.134 -1.170 1
1 755 . 3 1 1 A 93 93 ILE H H 93 8.889 8.691 0.198 1
1 756 . 3 1 1 A 93 93 ILE HA H 93 4.751 5.072 -0.321 1
1 766 . 3 1 1 A 93 93 ILE N N 93 120.472 122.576 -2.104 1
1 767 . 3 1 1 A 94 94 GLN H H 94 8.851 9.166 -0.315 1
1 768 . 3 1 1 A 94 94 GLN HA H 94 4.422 4.721 -0.299 1
1 775 . 3 1 1 A 94 94 GLN N N 94 126.658 125.480 1.178 1
1 777 . 3 1 1 A 95 95 ALA H H 95 8.525 8.787 -0.262 1
1 778 . 3 1 1 A 95 95 ALA HA H 95 4.210 3.828 0.382 1
1 782 . 3 1 1 A 95 95 ALA N N 95 127.085 124.515 2.570 1
1 783 . 3 1 1 A 96 96 ALA H H 96 8.308 8.136 0.172 1
1 784 . 3 1 1 A 96 96 ALA HA H 96 4.036 4.447 -0.411 1
1 788 . 3 1 1 A 96 96 ALA N N 96 122.992 117.635 5.357 1
1 789 . 3 1 1 A 97 97 HIS H H 97 8.197 7.889 0.308 1
1 790 . 3 1 1 A 97 97 HIS HA H 97 4.463 5.207 -0.744 1
1 793 . 3 1 1 A 97 97 HIS N N 97 118.058 114.203 3.855 1
1 6 . 4 1 1 A 2 2 GLN H H 2 8.503 7.443 1.060 1
1 7 . 4 1 1 A 2 2 GLN HA H 2 4.532 4.620 -0.088 1
1 14 . 4 1 1 A 2 2 GLN N N 2 125.165 115.708 9.457 1
1 16 . 4 1 1 A 3 3 PRO HA H 3 4.217 4.902 -0.685 1
1 23 . 4 1 1 A 4 4 GLN H H 4 8.492 8.269 0.223 1
1 24 . 4 1 1 A 4 4 GLN HA H 4 4.382 4.348 0.034 1
1 31 . 4 1 1 A 4 4 GLN N N 4 120.871 118.276 2.595 1
1 33 . 4 1 1 A 5 5 ARG H H 5 8.365 8.470 -0.105 1
1 34 . 4 1 1 A 5 5 ARG HA H 5 5.165 5.564 -0.399 1
1 42 . 4 1 1 A 5 5 ARG N N 5 121.503 120.186 1.317 1
1 44 . 4 1 1 A 6 6 THR H H 6 8.801 9.279 -0.478 1
1 45 . 4 1 1 A 6 6 THR HA H 6 4.751 5.066 -0.315 1
1 50 . 4 1 1 A 6 6 THR N N 6 116.539 116.874 -0.335 1
1 51 . 4 1 1 A 7 7 ARG H H 7 8.337 8.336 0.001 1
1 52 . 4 1 1 A 7 7 ARG HA H 7 4.567 4.092 0.475 1
1 60 . 4 1 1 A 7 7 ARG N N 7 129.822 127.278 2.544 1
1 62 . 4 1 1 A 8 8 TYR H H 8 7.810 8.766 -0.956 1
1 63 . 4 1 1 A 8 8 TYR HA H 8 5.211 5.137 0.074 1
1 70 . 4 1 1 A 8 8 TYR N N 8 125.080 126.824 -1.744 1
1 71 . 4 1 1 A 9 9 SER H H 9 8.654 8.621 0.033 1
1 72 . 4 1 1 A 9 9 SER HA H 9 5.361 5.722 -0.361 1
1 75 . 4 1 1 A 9 9 SER N N 9 114.459 116.402 -1.943 1
1 76 . 4 1 1 A 10 10 ILE H H 10 9.112 8.865 0.247 1
1 77 . 4 1 1 A 10 10 ILE HA H 10 5.709 5.942 -0.233 1
1 87 . 4 1 1 A 10 10 ILE N N 10 116.723 120.413 -3.690 1
1 88 . 4 1 1 A 11 11 ILE H H 11 8.827 8.810 0.017 1
1 89 . 4 1 1 A 11 11 ILE HA H 11 3.630 5.083 -1.453 1
1 99 . 4 1 1 A 11 11 ILE N N 11 122.843 120.569 2.274 1
1 100 . 4 1 1 A 12 12 GLN H H 12 8.047 8.670 -0.623 1
1 101 . 4 1 1 A 12 12 GLN HA H 12 5.529 4.950 0.579 1
1 108 . 4 1 1 A 12 12 GLN N N 12 127.853 121.804 6.049 1
1 110 . 4 1 1 A 13 13 THR H H 13 9.657 9.437 0.220 1
1 111 . 4 1 1 A 13 13 THR HA H 13 5.050 4.973 0.077 1
1 116 . 4 1 1 A 13 13 THR N N 13 117.094 116.545 0.549 1
1 117 . 4 1 1 A 14 14 LYS H H 14 9.035 8.936 0.099 1
1 118 . 4 1 1 A 14 14 LYS HA H 14 4.463 4.393 0.070 1
1 130 . 4 1 1 A 14 14 LYS N N 14 119.457 120.903 -1.446 1
1 131 . 4 1 1 A 15 15 THR H H 15 7.527 8.048 -0.521 1
1 132 . 4 1 1 A 15 15 THR HA H 15 4.785 4.971 -0.186 1
1 137 . 4 1 1 A 15 15 THR N N 15 104.566 111.762 -7.196 1
1 138 . 4 1 1 A 16 16 GLU H H 16 8.454 8.870 -0.416 1
1 139 . 4 1 1 A 16 16 GLU HA H 16 4.101 2.971 1.130 1
1 144 . 4 1 1 A 16 16 GLU N N 16 127.134 124.093 3.041 1
1 145 . 4 1 1 A 17 17 ASP H H 17 8.335 8.434 -0.099 1
1 146 . 4 1 1 A 17 17 ASP HA H 17 4.095 4.268 -0.173 1
1 149 . 4 1 1 A 17 17 ASP N N 17 117.583 119.485 -1.902 1
1 150 . 4 1 1 A 18 18 GLU H H 18 7.362 7.816 -0.454 1
1 151 . 4 1 1 A 18 18 GLU HA H 18 4.106 3.957 0.149 1
1 156 . 4 1 1 A 18 18 GLU N N 18 118.999 118.543 0.456 1
1 157 . 4 1 1 A 19 19 ALA H H 19 7.050 7.577 -0.527 1
1 158 . 4 1 1 A 19 19 ALA HA H 19 3.692 4.054 -0.362 1
1 162 . 4 1 1 A 19 19 ALA N N 19 123.146 122.617 0.529 1
1 163 . 4 1 1 A 20 20 LYS H H 20 8.335 7.964 0.371 1
1 164 . 4 1 1 A 20 20 LYS HA H 20 3.600 3.951 -0.351 1
1 173 . 4 1 1 A 20 20 LYS N N 20 117.583 117.099 0.484 1
1 174 . 4 1 1 A 21 21 ALA H H 21 7.522 7.684 -0.162 1
1 175 . 4 1 1 A 21 21 ALA HA H 21 4.091 4.022 0.069 1
1 179 . 4 1 1 A 21 21 ALA N N 21 121.260 122.346 -1.086 1
1 180 . 4 1 1 A 22 22 VAL H H 22 7.670 7.405 0.265 1
1 181 . 4 1 1 A 22 22 VAL HA H 22 3.484 3.588 -0.104 1
1 189 . 4 1 1 A 22 22 VAL N N 22 120.352 118.360 1.992 1
1 190 . 4 1 1 A 23 23 LEU H H 23 8.175 8.384 -0.209 1
1 191 . 4 1 1 A 23 23 LEU HA H 23 3.874 4.018 -0.144 1
1 201 . 4 1 1 A 23 23 LEU N N 23 121.296 118.439 2.857 1
1 202 . 4 1 1 A 24 24 ASP H H 24 7.997 8.388 -0.391 1
1 203 . 4 1 1 A 24 24 ASP HA H 24 4.290 4.255 0.035 1
1 206 . 4 1 1 A 24 24 ASP N N 24 118.344 119.192 -0.848 1
1 207 . 4 1 1 A 25 25 GLU H H 25 7.488 7.524 -0.036 1
1 208 . 4 1 1 A 25 25 GLU HA H 25 3.874 4.150 -0.276 1
1 213 . 4 1 1 A 25 25 GLU N N 25 118.292 119.518 -1.226 1
1 214 . 4 1 1 A 26 26 LEU H H 26 8.574 7.959 0.615 1
1 215 . 4 1 1 A 26 26 LEU HA H 26 3.784 4.205 -0.421 1
1 225 . 4 1 1 A 26 26 LEU N N 26 122.270 119.799 2.471 1
1 226 . 4 1 1 A 27 27 ASN H H 27 8.663 7.954 0.709 1
1 227 . 4 1 1 A 27 27 ASN HA H 27 4.520 4.581 -0.061 1
1 232 . 4 1 1 A 27 27 ASN N N 27 120.178 118.051 2.127 1
1 234 . 4 1 1 A 28 28 LYS H H 28 7.339 7.499 -0.160 1
1 235 . 4 1 1 A 28 28 LYS HA H 28 4.331 4.242 0.089 1
1 247 . 4 1 1 A 28 28 LYS N N 28 118.773 117.303 1.470 1
1 248 . 4 1 1 A 29 29 GLY H H 29 7.680 7.867 -0.187 1
1 249 . 4 1 1 A 29 29 GLY HA2 H 29 4.290 3.990 0.300 1
1 250 . 4 1 1 A 29 29 GLY HA3 H 29 3.703 4.003 -0.300 1
1 251 . 4 1 1 A 29 29 GLY N N 29 106.818 108.133 -1.315 1
1 252 . 4 1 1 A 30 30 GLY H H 30 8.241 8.250 -0.009 1
1 253 . 4 1 1 A 30 30 GLY HA2 H 30 3.887 3.807 0.080 1
1 254 . 4 1 1 A 30 30 GLY HA3 H 30 3.128 3.808 -0.680 1
1 255 . 4 1 1 A 30 30 GLY N N 30 108.169 106.967 1.202 1
1 256 . 4 1 1 A 31 31 ASP H H 31 8.471 8.073 0.398 1
1 257 . 4 1 1 A 31 31 ASP HA H 31 4.555 5.016 -0.461 1
1 260 . 4 1 1 A 31 31 ASP N N 31 122.396 118.318 4.078 1
1 261 . 4 1 1 A 32 32 PHE H H 32 8.754 9.016 -0.262 1
1 262 . 4 1 1 A 32 32 PHE HA H 32 3.484 4.075 -0.591 1
1 270 . 4 1 1 A 32 32 PHE N N 32 129.042 126.288 2.754 1
1 271 . 4 1 1 A 33 33 ALA H H 33 8.099 8.501 -0.402 1
1 272 . 4 1 1 A 33 33 ALA HA H 33 4.451 3.917 0.534 1
1 276 . 4 1 1 A 33 33 ALA N N 33 118.535 121.012 -2.477 1
1 277 . 4 1 1 A 34 34 ALA H H 34 7.888 8.193 -0.305 1
1 278 . 4 1 1 A 34 34 ALA HA H 34 3.945 4.069 -0.124 1
1 282 . 4 1 1 A 34 34 ALA N N 34 120.695 120.559 0.136 1
1 283 . 4 1 1 A 35 35 LEU H H 35 8.135 8.038 0.097 1
1 284 . 4 1 1 A 35 35 LEU HA H 35 3.874 3.877 -0.003 1
1 294 . 4 1 1 A 35 35 LEU N N 35 119.988 118.637 1.351 1
1 295 . 4 1 1 A 36 36 ALA H H 36 8.833 8.123 0.710 1
1 296 . 4 1 1 A 36 36 ALA HA H 36 3.623 3.862 -0.239 1
1 300 . 4 1 1 A 36 36 ALA N N 36 123.123 121.712 1.411 1
1 301 . 4 1 1 A 37 37 LYS H H 37 7.838 7.780 0.058 1
1 302 . 4 1 1 A 37 37 LYS HA H 37 3.874 3.993 -0.119 1
1 311 . 4 1 1 A 37 37 LYS N N 37 115.868 117.420 -1.552 1
1 312 . 4 1 1 A 38 38 GLU H H 38 7.398 7.831 -0.433 1
1 313 . 4 1 1 A 38 38 GLU HA H 38 4.103 4.126 -0.023 1
1 318 . 4 1 1 A 38 38 GLU N N 38 115.281 119.396 -4.115 1
1 319 . 4 1 1 A 39 39 LYS H H 39 8.495 7.598 0.897 1
1 320 . 4 1 1 A 39 39 LYS HA H 39 4.411 4.197 0.214 1
1 329 . 4 1 1 A 39 39 LYS N N 39 113.533 119.244 -5.711 1
1 330 . 4 1 1 A 40 40 SER H H 40 8.188 7.198 0.990 1
1 331 . 4 1 1 A 40 40 SER HA H 40 4.198 4.707 -0.509 1
1 334 . 4 1 1 A 40 40 SER N N 40 111.913 115.191 -3.278 1
1 335 . 4 1 1 A 41 41 ALA H H 41 9.472 9.155 0.317 1
1 336 . 4 1 1 A 41 41 ALA HA H 41 4.210 4.263 -0.053 1
1 340 . 4 1 1 A 41 41 ALA N N 41 128.478 129.292 -0.814 1
1 341 . 4 1 1 A 42 42 ASP H H 42 7.328 8.166 -0.838 1
1 342 . 4 1 1 A 42 42 ASP HA H 42 4.659 4.411 0.248 1
1 345 . 4 1 1 A 42 42 ASP N N 42 118.084 119.268 -1.184 1
1 346 . 4 1 1 A 43 43 ILE H H 43 7.813 7.577 0.236 1
1 347 . 4 1 1 A 43 43 ILE HA H 43 3.715 3.842 -0.127 1
1 357 . 4 1 1 A 43 43 ILE N N 43 124.158 116.876 7.282 1
1 358 . 4 1 1 A 44 44 ILE H H 44 7.765 7.510 0.255 1
1 359 . 4 1 1 A 44 44 ILE HA H 44 3.680 3.921 -0.241 1
1 369 . 4 1 1 A 44 44 ILE N N 44 118.644 121.365 -2.721 1
1 370 . 4 1 1 A 45 45 SER H H 45 7.131 8.528 -1.397 1
1 371 . 4 1 1 A 45 45 SER HA H 45 4.348 4.711 -0.363 1
1 374 . 4 1 1 A 45 45 SER N N 45 112.128 114.976 -2.848 1
1 375 . 4 1 1 A 46 46 ALA H H 46 8.750 7.843 0.907 1
1 376 . 4 1 1 A 46 46 ALA HA H 46 3.703 3.927 -0.224 1
1 380 . 4 1 1 A 46 46 ALA N N 46 130.693 123.542 7.151 1
1 381 . 4 1 1 A 47 47 ARG H H 47 7.335 8.021 -0.686 1
1 382 . 4 1 1 A 47 47 ARG HA H 47 4.034 4.141 -0.107 1
1 390 . 4 1 1 A 47 47 ARG N N 47 113.301 118.441 -5.140 1
1 392 . 4 1 1 A 48 48 ASN H H 48 7.393 7.720 -0.327 1
1 393 . 4 1 1 A 48 48 ASN HA H 48 5.073 4.667 0.406 1
1 398 . 4 1 1 A 48 48 ASN N N 48 116.377 113.338 3.039 1
1 400 . 4 1 1 A 49 49 GLY H H 49 8.146 8.248 -0.102 1
1 401 . 4 1 1 A 49 49 GLY HA2 H 49 4.023 3.857 0.166 1
1 402 . 4 1 1 A 49 49 GLY HA3 H 49 3.943 3.891 0.052 1
1 403 . 4 1 1 A 49 49 GLY N N 49 109.272 109.599 -0.327 1
1 404 . 4 1 1 A 50 50 GLY H H 50 8.422 8.442 -0.020 1
1 405 . 4 1 1 A 50 50 GLY HA2 H 50 4.440 3.924 0.516 1
1 406 . 4 1 1 A 50 50 GLY HA3 H 50 3.450 3.986 -0.536 1
1 407 . 4 1 1 A 50 50 GLY N N 50 106.705 107.613 -0.908 1
1 408 . 4 1 1 A 51 51 ASP H H 51 6.672 8.172 -1.500 1
1 409 . 4 1 1 A 51 51 ASP HA H 51 4.601 4.795 -0.194 1
1 412 . 4 1 1 A 51 51 ASP N N 51 118.848 120.535 -1.687 1
1 413 . 4 1 1 A 52 52 MET H H 52 9.118 8.440 0.678 1
1 414 . 4 1 1 A 52 52 MET HA H 52 4.302 4.427 -0.125 1
1 419 . 4 1 1 A 52 52 MET N N 52 126.094 123.157 2.937 1
1 420 . 4 1 1 A 53 53 GLY H H 53 8.274 7.446 0.828 1
1 421 . 4 1 1 A 53 53 GLY HA2 H 53 4.049 4.016 0.033 1
1 422 . 4 1 1 A 53 53 GLY HA3 H 53 3.315 4.073 -0.758 1
1 423 . 4 1 1 A 53 53 GLY N N 53 107.535 107.098 0.437 1
1 424 . 4 1 1 A 54 54 TRP H H 54 8.154 8.434 -0.280 1
1 425 . 4 1 1 A 54 54 TRP HA H 54 4.233 4.988 -0.755 1
1 434 . 4 1 1 A 54 54 TRP N N 54 117.028 122.037 -5.009 1
1 436 . 4 1 1 A 55 55 LEU H H 55 8.910 8.576 0.334 1
1 437 . 4 1 1 A 55 55 LEU HA H 55 4.753 5.071 -0.318 1
1 447 . 4 1 1 A 55 55 LEU N N 55 125.087 121.581 3.506 1
1 448 . 4 1 1 A 56 56 GLU H H 56 8.213 8.527 -0.314 1
1 449 . 4 1 1 A 56 56 GLU HA H 56 4.601 4.787 -0.186 1
1 454 . 4 1 1 A 56 56 GLU N N 56 120.058 119.307 0.751 1
1 455 . 4 1 1 A 57 57 ASP H H 57 8.706 9.451 -0.745 1
1 456 . 4 1 1 A 57 57 ASP HA H 57 4.256 4.410 -0.154 1
1 459 . 4 1 1 A 57 57 ASP N N 57 123.804 124.284 -0.480 1
1 460 . 4 1 1 A 58 58 ALA H H 58 8.566 8.767 -0.201 1
1 461 . 4 1 1 A 58 58 ALA HA H 58 4.129 4.058 0.071 1
1 465 . 4 1 1 A 58 58 ALA N N 58 117.470 122.771 -5.301 1
1 466 . 4 1 1 A 59 59 THR H H 59 7.873 7.962 -0.089 1
1 467 . 4 1 1 A 59 59 THR HA H 59 4.382 4.628 -0.246 1
1 472 . 4 1 1 A 59 59 THR N N 59 106.456 109.886 -3.430 1
1 473 . 4 1 1 A 60 60 ILE H H 60 7.294 7.484 -0.190 1
1 474 . 4 1 1 A 60 60 ILE HA H 60 4.095 4.337 -0.242 1
1 484 . 4 1 1 A 60 60 ILE N N 60 124.761 123.888 0.873 1
1 485 . 4 1 1 A 61 61 PRO HA H 61 4.365 4.551 -0.186 1
1 492 . 4 1 1 A 62 62 ASP H H 62 8.969 8.656 0.313 1
1 493 . 4 1 1 A 62 62 ASP HA H 62 4.072 4.330 -0.258 1
1 496 . 4 1 1 A 62 62 ASP N N 62 125.215 122.061 3.154 1
1 497 . 4 1 1 A 63 63 GLU H H 63 9.542 8.061 1.481 1
1 498 . 4 1 1 A 63 63 GLU HA H 63 3.841 4.079 -0.238 1
1 503 . 4 1 1 A 63 63 GLU N N 63 116.092 119.948 -3.856 1
1 504 . 4 1 1 A 64 64 LEU H H 64 6.892 7.790 -0.898 1
1 505 . 4 1 1 A 64 64 LEU HA H 64 3.829 3.955 -0.126 1
1 515 . 4 1 1 A 64 64 LEU N N 64 116.203 119.474 -3.271 1
1 516 . 4 1 1 A 65 65 LYS H H 65 7.635 7.762 -0.127 1
1 517 . 4 1 1 A 65 65 LYS HA H 65 3.829 4.030 -0.201 1
1 526 . 4 1 1 A 65 65 LYS N N 65 120.789 120.638 0.151 1
1 527 . 4 1 1 A 66 66 ASN H H 66 8.270 8.341 -0.071 1
1 528 . 4 1 1 A 66 66 ASN HA H 66 4.502 4.555 -0.053 1
1 533 . 4 1 1 A 66 66 ASN N N 66 114.881 116.710 -1.829 1
1 535 . 4 1 1 A 67 67 ALA H H 67 7.136 7.544 -0.408 1
1 536 . 4 1 1 A 67 67 ALA HA H 67 4.095 4.173 -0.078 1
1 540 . 4 1 1 A 67 67 ALA N N 67 120.993 121.632 -0.639 1
1 541 . 4 1 1 A 68 68 GLY H H 68 7.654 7.980 -0.326 1
1 542 . 4 1 1 A 68 68 GLY HA2 H 68 3.715 3.928 -0.213 1
1 543 . 4 1 1 A 68 68 GLY HA3 H 68 3.714 3.936 -0.222 1
1 544 . 4 1 1 A 68 68 GLY N N 68 104.575 107.079 -2.504 1
1 545 . 4 1 1 A 69 69 LEU H H 69 8.208 8.063 0.145 1
1 546 . 4 1 1 A 69 69 LEU HA H 69 4.002 4.530 -0.528 1
1 556 . 4 1 1 A 69 69 LEU N N 69 119.478 122.481 -3.003 1
1 557 . 4 1 1 A 70 70 LYS H H 70 8.525 8.487 0.038 1
1 558 . 4 1 1 A 70 70 LYS HA H 70 4.342 4.500 -0.158 1
1 567 . 4 1 1 A 70 70 LYS N N 70 120.087 124.553 -4.466 1
1 568 . 4 1 1 A 71 71 GLU H H 71 7.727 7.852 -0.125 1
1 569 . 4 1 1 A 71 71 GLU HA H 71 4.532 4.535 -0.003 1
1 574 . 4 1 1 A 71 71 GLU N N 71 118.339 117.516 0.823 1
1 575 . 4 1 1 A 72 72 LYS H H 72 8.574 8.684 -0.110 1
1 576 . 4 1 1 A 72 72 LYS HA H 72 3.519 3.897 -0.378 1
1 585 . 4 1 1 A 72 72 LYS N N 72 122.270 125.042 -2.772 1
1 586 . 4 1 1 A 73 73 GLY H H 73 9.551 8.898 0.653 1
1 587 . 4 1 1 A 73 73 GLY HA2 H 73 4.148 3.986 0.162 1
1 588 . 4 1 1 A 73 73 GLY HA3 H 73 3.349 3.996 -0.647 1
1 589 . 4 1 1 A 73 73 GLY N N 73 114.854 114.902 -0.048 1
1 590 . 4 1 1 A 74 74 GLN H H 74 7.926 7.560 0.366 1
1 591 . 4 1 1 A 74 74 GLN HA H 74 3.979 4.557 -0.578 1
1 598 . 4 1 1 A 74 74 GLN N N 74 122.200 121.301 0.899 1
1 600 . 4 1 1 A 75 75 LEU H H 75 8.130 8.495 -0.365 1
1 601 . 4 1 1 A 75 75 LEU HA H 75 5.187 4.736 0.451 1
1 611 . 4 1 1 A 75 75 LEU N N 75 124.036 123.072 0.964 1
1 612 . 4 1 1 A 76 76 SER H H 76 9.245 8.704 0.541 1
1 613 . 4 1 1 A 76 76 SER HA H 76 4.382 4.297 0.085 1
1 616 . 4 1 1 A 76 76 SER N N 76 119.351 115.880 3.471 1
1 617 . 4 1 1 A 77 77 GLY H H 77 7.656 7.709 -0.053 1
1 618 . 4 1 1 A 77 77 GLY HA2 H 77 4.371 3.984 0.387 1
1 619 . 4 1 1 A 77 77 GLY HA3 H 77 3.611 3.997 -0.386 1
1 620 . 4 1 1 A 77 77 GLY N N 77 102.417 109.855 -7.438 1
1 621 . 4 1 1 A 78 78 VAL H H 78 8.421 9.277 -0.856 1
1 622 . 4 1 1 A 78 78 VAL HA H 78 3.853 4.858 -1.005 1
1 630 . 4 1 1 A 78 78 VAL N N 78 118.736 126.710 -7.974 1
1 631 . 4 1 1 A 79 79 ILE H H 79 9.387 9.902 -0.515 1
1 632 . 4 1 1 A 79 79 ILE HA H 79 4.210 4.884 -0.674 1
1 642 . 4 1 1 A 79 79 ILE N N 79 132.591 129.027 3.564 1
1 643 . 4 1 1 A 80 80 LYS H H 80 8.628 8.828 -0.200 1
1 644 . 4 1 1 A 80 80 LYS HA H 80 3.922 4.581 -0.659 1
1 653 . 4 1 1 A 80 80 LYS N N 80 128.368 129.329 -0.961 1
1 654 . 4 1 1 A 81 81 SER H H 81 7.919 8.142 -0.223 1
1 655 . 4 1 1 A 81 81 SER HA H 81 3.703 4.969 -1.266 1
1 658 . 4 1 1 A 81 81 SER N N 81 122.449 121.690 0.759 1
1 659 . 4 1 1 A 82 82 SER H H 82 8.566 8.730 -0.164 1
1 660 . 4 1 1 A 82 82 SER HA H 82 4.019 4.074 -0.055 1
1 663 . 4 1 1 A 82 82 SER N N 82 117.460 119.482 -2.022 1
1 664 . 4 1 1 A 83 83 VAL H H 83 7.232 7.190 0.042 1
1 665 . 4 1 1 A 83 83 VAL HA H 83 4.182 4.047 0.135 1
1 673 . 4 1 1 A 83 83 VAL N N 83 113.299 115.809 -2.510 1
1 674 . 4 1 1 A 84 84 GLY H H 84 7.160 7.013 0.147 1
1 675 . 4 1 1 A 84 84 GLY HA2 H 84 4.194 3.936 0.258 1
1 676 . 4 1 1 A 84 84 GLY HA3 H 84 3.509 4.065 -0.556 1
1 677 . 4 1 1 A 84 84 GLY N N 84 109.922 109.197 0.725 1
1 678 . 4 1 1 A 85 85 PHE H H 85 8.583 8.115 0.468 1
1 679 . 4 1 1 A 85 85 PHE HA H 85 4.935 5.274 -0.339 1
1 687 . 4 1 1 A 85 85 PHE N N 85 122.045 120.221 1.824 1
1 688 . 4 1 1 A 86 86 LEU H H 86 9.525 9.181 0.344 1
1 689 . 4 1 1 A 86 86 LEU HA H 86 5.476 5.515 -0.039 1
1 699 . 4 1 1 A 86 86 LEU N N 86 121.224 124.209 -2.985 1
1 700 . 4 1 1 A 87 87 ILE H H 87 8.479 9.346 -0.867 1
1 701 . 4 1 1 A 87 87 ILE HA H 87 4.002 5.037 -1.035 1
1 711 . 4 1 1 A 87 87 ILE N N 87 119.241 126.624 -7.383 1
1 712 . 4 1 1 A 88 88 VAL H H 88 8.838 9.308 -0.470 1
1 713 . 4 1 1 A 88 88 VAL HA H 88 4.935 4.981 -0.046 1
1 721 . 4 1 1 A 88 88 VAL N N 88 125.698 128.734 -3.036 1
1 722 . 4 1 1 A 89 89 ARG H H 89 9.061 9.184 -0.123 1
1 723 . 4 1 1 A 89 89 ARG HA H 89 5.200 4.976 0.224 1
1 731 . 4 1 1 A 89 89 ARG N N 89 126.677 128.335 -1.658 1
1 733 . 4 1 1 A 90 90 LEU H H 90 8.047 8.607 -0.560 1
1 734 . 4 1 1 A 90 90 LEU HA H 90 4.164 4.489 -0.325 1
1 744 . 4 1 1 A 90 90 LEU N N 90 127.853 127.660 0.193 1
1 745 . 4 1 1 A 91 91 ASP H H 91 8.569 8.987 -0.418 1
1 746 . 4 1 1 A 91 91 ASP HA H 91 4.491 4.540 -0.049 1
1 749 . 4 1 1 A 91 91 ASP N N 91 128.030 126.468 1.562 1
1 750 . 4 1 1 A 92 92 ASP H H 92 7.672 7.591 0.081 1
1 751 . 4 1 1 A 92 92 ASP HA H 92 4.555 5.008 -0.453 1
1 754 . 4 1 1 A 92 92 ASP N N 92 115.964 116.985 -1.021 1
1 755 . 4 1 1 A 93 93 ILE H H 93 8.889 8.574 0.315 1
1 756 . 4 1 1 A 93 93 ILE HA H 93 4.751 5.054 -0.303 1
1 766 . 4 1 1 A 93 93 ILE N N 93 120.472 121.964 -1.492 1
1 767 . 4 1 1 A 94 94 GLN H H 94 8.851 9.546 -0.695 1
1 768 . 4 1 1 A 94 94 GLN HA H 94 4.422 4.447 -0.025 1
1 775 . 4 1 1 A 94 94 GLN N N 94 126.658 127.698 -1.040 1
1 777 . 4 1 1 A 95 95 ALA H H 95 8.525 8.691 -0.166 1
1 778 . 4 1 1 A 95 95 ALA HA H 95 4.210 4.169 0.041 1
1 782 . 4 1 1 A 95 95 ALA N N 95 127.085 124.881 2.204 1
1 783 . 4 1 1 A 96 96 ALA H H 96 8.308 8.574 -0.266 1
1 784 . 4 1 1 A 96 96 ALA HA H 96 4.036 4.271 -0.235 1
1 788 . 4 1 1 A 96 96 ALA N N 96 122.992 120.879 2.113 1
1 789 . 4 1 1 A 97 97 HIS H H 97 8.197 9.180 -0.983 1
1 790 . 4 1 1 A 97 97 HIS HA H 97 4.463 4.533 -0.070 1
1 793 . 4 1 1 A 97 97 HIS N N 97 118.058 122.045 -3.987 1
1 6 . 5 1 1 A 2 2 GLN H H 2 8.503 7.690 0.813 1
1 7 . 5 1 1 A 2 2 GLN HA H 2 4.532 4.948 -0.416 1
1 14 . 5 1 1 A 2 2 GLN N N 2 125.165 116.669 8.496 1
1 16 . 5 1 1 A 3 3 PRO HA H 3 4.217 4.536 -0.319 1
1 23 . 5 1 1 A 4 4 GLN H H 4 8.492 8.328 0.164 1
1 24 . 5 1 1 A 4 4 GLN HA H 4 4.382 4.329 0.053 1
1 31 . 5 1 1 A 4 4 GLN N N 4 120.871 118.554 2.317 1
1 33 . 5 1 1 A 5 5 ARG H H 5 8.365 8.881 -0.516 1
1 34 . 5 1 1 A 5 5 ARG HA H 5 5.165 5.552 -0.387 1
1 42 . 5 1 1 A 5 5 ARG N N 5 121.503 122.265 -0.762 1
1 44 . 5 1 1 A 6 6 THR H H 6 8.801 9.450 -0.649 1
1 45 . 5 1 1 A 6 6 THR HA H 6 4.751 4.855 -0.104 1
1 50 . 5 1 1 A 6 6 THR N N 6 116.539 118.285 -1.746 1
1 51 . 5 1 1 A 7 7 ARG H H 7 8.337 8.203 0.134 1
1 52 . 5 1 1 A 7 7 ARG HA H 7 4.567 4.239 0.328 1
1 60 . 5 1 1 A 7 7 ARG N N 7 129.822 126.610 3.212 1
1 62 . 5 1 1 A 8 8 TYR H H 8 7.810 8.246 -0.436 1
1 63 . 5 1 1 A 8 8 TYR HA H 8 5.211 5.067 0.144 1
1 70 . 5 1 1 A 8 8 TYR N N 8 125.080 126.996 -1.916 1
1 71 . 5 1 1 A 9 9 SER H H 9 8.654 9.000 -0.346 1
1 72 . 5 1 1 A 9 9 SER HA H 9 5.361 5.718 -0.357 1
1 75 . 5 1 1 A 9 9 SER N N 9 114.459 118.887 -4.428 1
1 76 . 5 1 1 A 10 10 ILE H H 10 9.112 9.274 -0.162 1
1 77 . 5 1 1 A 10 10 ILE HA H 10 5.709 6.028 -0.319 1
1 87 . 5 1 1 A 10 10 ILE N N 10 116.723 120.328 -3.605 1
1 88 . 5 1 1 A 11 11 ILE H H 11 8.827 8.704 0.123 1
1 89 . 5 1 1 A 11 11 ILE HA H 11 3.630 5.091 -1.461 1
1 99 . 5 1 1 A 11 11 ILE N N 11 122.843 121.356 1.487 1
1 100 . 5 1 1 A 12 12 GLN H H 12 8.047 8.823 -0.776 1
1 101 . 5 1 1 A 12 12 GLN HA H 12 5.529 4.958 0.571 1
1 108 . 5 1 1 A 12 12 GLN N N 12 127.853 123.743 4.110 1
1 110 . 5 1 1 A 13 13 THR H H 13 9.657 9.402 0.255 1
1 111 . 5 1 1 A 13 13 THR HA H 13 5.050 4.931 0.119 1
1 116 . 5 1 1 A 13 13 THR N N 13 117.094 117.122 -0.028 1
1 117 . 5 1 1 A 14 14 LYS H H 14 9.035 8.709 0.326 1
1 118 . 5 1 1 A 14 14 LYS HA H 14 4.463 4.184 0.279 1
1 130 . 5 1 1 A 14 14 LYS N N 14 119.457 122.247 -2.790 1
1 131 . 5 1 1 A 15 15 THR H H 15 7.527 7.840 -0.313 1
1 132 . 5 1 1 A 15 15 THR HA H 15 4.785 5.003 -0.218 1
1 137 . 5 1 1 A 15 15 THR N N 15 104.566 111.282 -6.716 1
1 138 . 5 1 1 A 16 16 GLU H H 16 8.454 8.400 0.054 1
1 139 . 5 1 1 A 16 16 GLU HA H 16 4.101 2.943 1.158 1
1 144 . 5 1 1 A 16 16 GLU N N 16 127.134 123.146 3.988 1
1 145 . 5 1 1 A 17 17 ASP H H 17 8.335 8.323 0.012 1
1 146 . 5 1 1 A 17 17 ASP HA H 17 4.095 4.247 -0.152 1
1 149 . 5 1 1 A 17 17 ASP N N 17 117.583 119.421 -1.838 1
1 150 . 5 1 1 A 18 18 GLU H H 18 7.362 7.844 -0.482 1
1 151 . 5 1 1 A 18 18 GLU HA H 18 4.106 3.920 0.186 1
1 156 . 5 1 1 A 18 18 GLU N N 18 118.999 118.457 0.542 1
1 157 . 5 1 1 A 19 19 ALA H H 19 7.050 7.974 -0.924 1
1 158 . 5 1 1 A 19 19 ALA HA H 19 3.692 3.997 -0.305 1
1 162 . 5 1 1 A 19 19 ALA N N 19 123.146 122.401 0.745 1
1 163 . 5 1 1 A 20 20 LYS H H 20 8.335 8.079 0.256 1
1 164 . 5 1 1 A 20 20 LYS HA H 20 3.600 3.936 -0.336 1
1 173 . 5 1 1 A 20 20 LYS N N 20 117.583 116.796 0.787 1
1 174 . 5 1 1 A 21 21 ALA H H 21 7.522 7.512 0.010 1
1 175 . 5 1 1 A 21 21 ALA HA H 21 4.091 4.016 0.075 1
1 179 . 5 1 1 A 21 21 ALA N N 21 121.260 122.258 -0.998 1
1 180 . 5 1 1 A 22 22 VAL H H 22 7.670 7.491 0.179 1
1 181 . 5 1 1 A 22 22 VAL HA H 22 3.484 3.505 -0.021 1
1 189 . 5 1 1 A 22 22 VAL N N 22 120.352 118.632 1.720 1
1 190 . 5 1 1 A 23 23 LEU H H 23 8.175 8.497 -0.322 1
1 191 . 5 1 1 A 23 23 LEU HA H 23 3.874 3.965 -0.091 1
1 201 . 5 1 1 A 23 23 LEU N N 23 121.296 118.095 3.201 1
1 202 . 5 1 1 A 24 24 ASP H H 24 7.997 8.320 -0.323 1
1 203 . 5 1 1 A 24 24 ASP HA H 24 4.290 4.200 0.090 1
1 206 . 5 1 1 A 24 24 ASP N N 24 118.344 119.238 -0.894 1
1 207 . 5 1 1 A 25 25 GLU H H 25 7.488 8.061 -0.573 1
1 208 . 5 1 1 A 25 25 GLU HA H 25 3.874 4.127 -0.253 1
1 213 . 5 1 1 A 25 25 GLU N N 25 118.292 119.324 -1.032 1
1 214 . 5 1 1 A 26 26 LEU H H 26 8.574 7.525 1.049 1
1 215 . 5 1 1 A 26 26 LEU HA H 26 3.784 4.139 -0.355 1
1 225 . 5 1 1 A 26 26 LEU N N 26 122.270 120.051 2.219 1
1 226 . 5 1 1 A 27 27 ASN H H 27 8.663 8.302 0.361 1
1 227 . 5 1 1 A 27 27 ASN HA H 27 4.520 4.491 0.029 1
1 232 . 5 1 1 A 27 27 ASN N N 27 120.178 117.912 2.266 1
1 234 . 5 1 1 A 28 28 LYS H H 28 7.339 7.284 0.055 1
1 235 . 5 1 1 A 28 28 LYS HA H 28 4.331 4.146 0.185 1
1 247 . 5 1 1 A 28 28 LYS N N 28 118.773 116.420 2.353 1
1 248 . 5 1 1 A 29 29 GLY H H 29 7.680 7.725 -0.045 1
1 249 . 5 1 1 A 29 29 GLY HA2 H 29 4.290 4.014 0.276 1
1 250 . 5 1 1 A 29 29 GLY HA3 H 29 3.703 4.034 -0.331 1
1 251 . 5 1 1 A 29 29 GLY N N 29 106.818 107.670 -0.852 1
1 252 . 5 1 1 A 30 30 GLY H H 30 8.241 8.241 0.000 1
1 253 . 5 1 1 A 30 30 GLY HA2 H 30 3.887 3.803 0.084 1
1 254 . 5 1 1 A 30 30 GLY HA3 H 30 3.128 3.807 -0.679 1
1 255 . 5 1 1 A 30 30 GLY N N 30 108.169 106.946 1.223 1
1 256 . 5 1 1 A 31 31 ASP H H 31 8.471 8.041 0.430 1
1 257 . 5 1 1 A 31 31 ASP HA H 31 4.555 5.013 -0.458 1
1 260 . 5 1 1 A 31 31 ASP N N 31 122.396 118.149 4.247 1
1 261 . 5 1 1 A 32 32 PHE H H 32 8.754 9.081 -0.327 1
1 262 . 5 1 1 A 32 32 PHE HA H 32 3.484 4.059 -0.575 1
1 270 . 5 1 1 A 32 32 PHE N N 32 129.042 126.168 2.874 1
1 271 . 5 1 1 A 33 33 ALA H H 33 8.099 8.502 -0.403 1
1 272 . 5 1 1 A 33 33 ALA HA H 33 4.451 4.091 0.360 1
1 276 . 5 1 1 A 33 33 ALA N N 33 118.535 121.376 -2.841 1
1 277 . 5 1 1 A 34 34 ALA H H 34 7.888 7.661 0.227 1
1 278 . 5 1 1 A 34 34 ALA HA H 34 3.945 4.080 -0.135 1
1 282 . 5 1 1 A 34 34 ALA N N 34 120.695 120.635 0.060 1
1 283 . 5 1 1 A 35 35 LEU H H 35 8.135 8.097 0.038 1
1 284 . 5 1 1 A 35 35 LEU HA H 35 3.874 3.866 0.008 1
1 294 . 5 1 1 A 35 35 LEU N N 35 119.988 119.357 0.631 1
1 295 . 5 1 1 A 36 36 ALA H H 36 8.833 8.265 0.568 1
1 296 . 5 1 1 A 36 36 ALA HA H 36 3.623 3.994 -0.371 1
1 300 . 5 1 1 A 36 36 ALA N N 36 123.123 121.626 1.497 1
1 301 . 5 1 1 A 37 37 LYS H H 37 7.838 8.557 -0.719 1
1 302 . 5 1 1 A 37 37 LYS HA H 37 3.874 4.033 -0.159 1
1 311 . 5 1 1 A 37 37 LYS N N 37 115.868 117.388 -1.520 1
1 312 . 5 1 1 A 38 38 GLU H H 38 7.398 7.868 -0.470 1
1 313 . 5 1 1 A 38 38 GLU HA H 38 4.103 4.200 -0.097 1
1 318 . 5 1 1 A 38 38 GLU N N 38 115.281 119.122 -3.841 1
1 319 . 5 1 1 A 39 39 LYS H H 39 8.495 7.545 0.950 1
1 320 . 5 1 1 A 39 39 LYS HA H 39 4.411 4.305 0.106 1
1 329 . 5 1 1 A 39 39 LYS N N 39 113.533 119.602 -6.069 1
1 330 . 5 1 1 A 40 40 SER H H 40 8.188 7.564 0.624 1
1 331 . 5 1 1 A 40 40 SER HA H 40 4.198 4.427 -0.229 1
1 334 . 5 1 1 A 40 40 SER N N 40 111.913 111.502 0.411 1
1 335 . 5 1 1 A 41 41 ALA H H 41 9.472 9.089 0.383 1
1 336 . 5 1 1 A 41 41 ALA HA H 41 4.210 4.271 -0.061 1
1 340 . 5 1 1 A 41 41 ALA N N 41 128.478 124.034 4.444 1
1 341 . 5 1 1 A 42 42 ASP H H 42 7.328 8.181 -0.853 1
1 342 . 5 1 1 A 42 42 ASP HA H 42 4.659 4.433 0.226 1
1 345 . 5 1 1 A 42 42 ASP N N 42 118.084 118.343 -0.259 1
1 346 . 5 1 1 A 43 43 ILE H H 43 7.813 7.648 0.165 1
1 347 . 5 1 1 A 43 43 ILE HA H 43 3.715 3.880 -0.165 1
1 357 . 5 1 1 A 43 43 ILE N N 43 124.158 117.142 7.016 1
1 358 . 5 1 1 A 44 44 ILE H H 44 7.765 7.628 0.137 1
1 359 . 5 1 1 A 44 44 ILE HA H 44 3.680 3.751 -0.071 1
1 369 . 5 1 1 A 44 44 ILE N N 44 118.644 121.337 -2.693 1
1 370 . 5 1 1 A 45 45 SER H H 45 7.131 8.189 -1.058 1
1 371 . 5 1 1 A 45 45 SER HA H 45 4.348 4.536 -0.188 1
1 374 . 5 1 1 A 45 45 SER N N 45 112.128 115.120 -2.992 1
1 375 . 5 1 1 A 46 46 ALA H H 46 8.750 8.063 0.687 1
1 376 . 5 1 1 A 46 46 ALA HA H 46 3.703 4.215 -0.512 1
1 380 . 5 1 1 A 46 46 ALA N N 46 130.693 123.727 6.966 1
1 381 . 5 1 1 A 47 47 ARG H H 47 7.335 8.242 -0.907 1
1 382 . 5 1 1 A 47 47 ARG HA H 47 4.034 4.151 -0.117 1
1 390 . 5 1 1 A 47 47 ARG N N 47 113.301 118.302 -5.001 1
1 392 . 5 1 1 A 48 48 ASN H H 48 7.393 8.317 -0.924 1
1 393 . 5 1 1 A 48 48 ASN HA H 48 5.073 4.793 0.280 1
1 398 . 5 1 1 A 48 48 ASN N N 48 116.377 115.443 0.934 1
1 400 . 5 1 1 A 49 49 GLY H H 49 8.146 8.352 -0.206 1
1 401 . 5 1 1 A 49 49 GLY HA2 H 49 4.023 3.943 0.080 1
1 402 . 5 1 1 A 49 49 GLY HA3 H 49 3.943 3.969 -0.026 1
1 403 . 5 1 1 A 49 49 GLY N N 49 109.272 106.962 2.310 1
1 404 . 5 1 1 A 50 50 GLY H H 50 8.422 8.535 -0.113 1
1 405 . 5 1 1 A 50 50 GLY HA2 H 50 4.440 3.976 0.464 1
1 406 . 5 1 1 A 50 50 GLY HA3 H 50 3.450 4.112 -0.662 1
1 407 . 5 1 1 A 50 50 GLY N N 50 106.705 107.246 -0.541 1
1 408 . 5 1 1 A 51 51 ASP H H 51 6.672 8.113 -1.441 1
1 409 . 5 1 1 A 51 51 ASP HA H 51 4.601 4.559 0.042 1
1 412 . 5 1 1 A 51 51 ASP N N 51 118.848 120.547 -1.699 1
1 413 . 5 1 1 A 52 52 MET H H 52 9.118 9.174 -0.056 1
1 414 . 5 1 1 A 52 52 MET HA H 52 4.302 4.420 -0.118 1
1 419 . 5 1 1 A 52 52 MET N N 52 126.094 124.244 1.850 1
1 420 . 5 1 1 A 53 53 GLY H H 53 8.274 7.495 0.779 1
1 421 . 5 1 1 A 53 53 GLY HA2 H 53 4.049 3.961 0.088 1
1 422 . 5 1 1 A 53 53 GLY HA3 H 53 3.315 4.046 -0.731 1
1 423 . 5 1 1 A 53 53 GLY N N 53 107.535 105.645 1.890 1
1 424 . 5 1 1 A 54 54 TRP H H 54 8.154 8.405 -0.251 1
1 425 . 5 1 1 A 54 54 TRP HA H 54 4.233 4.877 -0.644 1
1 434 . 5 1 1 A 54 54 TRP N N 54 117.028 122.154 -5.126 1
1 436 . 5 1 1 A 55 55 LEU H H 55 8.910 8.952 -0.042 1
1 437 . 5 1 1 A 55 55 LEU HA H 55 4.753 5.115 -0.362 1
1 447 . 5 1 1 A 55 55 LEU N N 55 125.087 121.428 3.659 1
1 448 . 5 1 1 A 56 56 GLU H H 56 8.213 8.569 -0.356 1
1 449 . 5 1 1 A 56 56 GLU HA H 56 4.601 4.738 -0.137 1
1 454 . 5 1 1 A 56 56 GLU N N 56 120.058 119.252 0.806 1
1 455 . 5 1 1 A 57 57 ASP H H 57 8.706 9.617 -0.911 1
1 456 . 5 1 1 A 57 57 ASP HA H 57 4.256 4.406 -0.150 1
1 459 . 5 1 1 A 57 57 ASP N N 57 123.804 124.399 -0.595 1
1 460 . 5 1 1 A 58 58 ALA H H 58 8.566 8.749 -0.183 1
1 461 . 5 1 1 A 58 58 ALA HA H 58 4.129 4.066 0.063 1
1 465 . 5 1 1 A 58 58 ALA N N 58 117.470 122.621 -5.151 1
1 466 . 5 1 1 A 59 59 THR H H 59 7.873 7.937 -0.064 1
1 467 . 5 1 1 A 59 59 THR HA H 59 4.382 4.490 -0.108 1
1 472 . 5 1 1 A 59 59 THR N N 59 106.456 107.389 -0.933 1
1 473 . 5 1 1 A 60 60 ILE H H 60 7.294 7.547 -0.253 1
1 474 . 5 1 1 A 60 60 ILE HA H 60 4.095 4.259 -0.164 1
1 484 . 5 1 1 A 60 60 ILE N N 60 124.761 126.264 -1.503 1
1 485 . 5 1 1 A 61 61 PRO HA H 61 4.365 4.530 -0.165 1
1 492 . 5 1 1 A 62 62 ASP H H 62 8.969 8.631 0.338 1
1 493 . 5 1 1 A 62 62 ASP HA H 62 4.072 4.271 -0.199 1
1 496 . 5 1 1 A 62 62 ASP N N 62 125.215 121.871 3.344 1
1 497 . 5 1 1 A 63 63 GLU H H 63 9.542 8.369 1.173 1
1 498 . 5 1 1 A 63 63 GLU HA H 63 3.841 3.984 -0.143 1
1 503 . 5 1 1 A 63 63 GLU N N 63 116.092 120.264 -4.172 1
1 504 . 5 1 1 A 64 64 LEU H H 64 6.892 7.641 -0.749 1
1 505 . 5 1 1 A 64 64 LEU HA H 64 3.829 4.050 -0.221 1
1 515 . 5 1 1 A 64 64 LEU N N 64 116.203 120.299 -4.096 1
1 516 . 5 1 1 A 65 65 LYS H H 65 7.635 7.733 -0.098 1
1 517 . 5 1 1 A 65 65 LYS HA H 65 3.829 3.975 -0.146 1
1 526 . 5 1 1 A 65 65 LYS N N 65 120.789 120.566 0.223 1
1 527 . 5 1 1 A 66 66 ASN H H 66 8.270 8.126 0.144 1
1 528 . 5 1 1 A 66 66 ASN HA H 66 4.502 4.573 -0.071 1
1 533 . 5 1 1 A 66 66 ASN N N 66 114.881 117.381 -2.500 1
1 535 . 5 1 1 A 67 67 ALA H H 67 7.136 7.524 -0.388 1
1 536 . 5 1 1 A 67 67 ALA HA H 67 4.095 4.171 -0.076 1
1 540 . 5 1 1 A 67 67 ALA N N 67 120.993 119.473 1.520 1
1 541 . 5 1 1 A 68 68 GLY H H 68 7.654 7.851 -0.197 1
1 542 . 5 1 1 A 68 68 GLY HA2 H 68 3.715 3.953 -0.238 1
1 543 . 5 1 1 A 68 68 GLY HA3 H 68 3.714 3.958 -0.244 1
1 544 . 5 1 1 A 68 68 GLY N N 68 104.575 107.576 -3.001 1
1 545 . 5 1 1 A 69 69 LEU H H 69 8.208 8.072 0.136 1
1 546 . 5 1 1 A 69 69 LEU HA H 69 4.002 4.593 -0.591 1
1 556 . 5 1 1 A 69 69 LEU N N 69 119.478 122.509 -3.031 1
1 557 . 5 1 1 A 70 70 LYS H H 70 8.525 7.960 0.565 1
1 558 . 5 1 1 A 70 70 LYS HA H 70 4.342 4.459 -0.117 1
1 567 . 5 1 1 A 70 70 LYS N N 70 120.087 123.273 -3.186 1
1 568 . 5 1 1 A 71 71 GLU H H 71 7.727 7.686 0.041 1
1 569 . 5 1 1 A 71 71 GLU HA H 71 4.532 4.663 -0.131 1
1 574 . 5 1 1 A 71 71 GLU N N 71 118.339 120.528 -2.189 1
1 575 . 5 1 1 A 72 72 LYS H H 72 8.574 8.706 -0.132 1
1 576 . 5 1 1 A 72 72 LYS HA H 72 3.519 3.880 -0.361 1
1 585 . 5 1 1 A 72 72 LYS N N 72 122.270 127.484 -5.214 1
1 586 . 5 1 1 A 73 73 GLY H H 73 9.551 8.933 0.618 1
1 587 . 5 1 1 A 73 73 GLY HA2 H 73 4.148 3.992 0.156 1
1 588 . 5 1 1 A 73 73 GLY HA3 H 73 3.349 3.999 -0.650 1
1 589 . 5 1 1 A 73 73 GLY N N 73 114.854 114.999 -0.145 1
1 590 . 5 1 1 A 74 74 GLN H H 74 7.926 7.567 0.359 1
1 591 . 5 1 1 A 74 74 GLN HA H 74 3.979 4.482 -0.503 1
1 598 . 5 1 1 A 74 74 GLN N N 74 122.200 121.448 0.752 1
1 600 . 5 1 1 A 75 75 LEU H H 75 8.130 8.523 -0.393 1
1 601 . 5 1 1 A 75 75 LEU HA H 75 5.187 4.827 0.360 1
1 611 . 5 1 1 A 75 75 LEU N N 75 124.036 122.444 1.592 1
1 612 . 5 1 1 A 76 76 SER H H 76 9.245 8.456 0.789 1
1 613 . 5 1 1 A 76 76 SER HA H 76 4.382 4.148 0.234 1
1 616 . 5 1 1 A 76 76 SER N N 76 119.351 115.320 4.031 1
1 617 . 5 1 1 A 77 77 GLY H H 77 7.656 7.901 -0.245 1
1 618 . 5 1 1 A 77 77 GLY HA2 H 77 4.371 4.109 0.262 1
1 619 . 5 1 1 A 77 77 GLY HA3 H 77 3.611 4.117 -0.506 1
1 620 . 5 1 1 A 77 77 GLY N N 77 102.417 107.745 -5.328 1
1 621 . 5 1 1 A 78 78 VAL H H 78 8.421 9.389 -0.968 1
1 622 . 5 1 1 A 78 78 VAL HA H 78 3.853 4.677 -0.824 1
1 630 . 5 1 1 A 78 78 VAL N N 78 118.736 125.936 -7.200 1
1 631 . 5 1 1 A 79 79 ILE H H 79 9.387 9.491 -0.104 1
1 632 . 5 1 1 A 79 79 ILE HA H 79 4.210 4.831 -0.621 1
1 642 . 5 1 1 A 79 79 ILE N N 79 132.591 128.929 3.662 1
1 643 . 5 1 1 A 80 80 LYS H H 80 8.628 8.771 -0.143 1
1 644 . 5 1 1 A 80 80 LYS HA H 80 3.922 4.411 -0.489 1
1 653 . 5 1 1 A 80 80 LYS N N 80 128.368 129.423 -1.055 1
1 654 . 5 1 1 A 81 81 SER H H 81 7.919 8.708 -0.789 1
1 655 . 5 1 1 A 81 81 SER HA H 81 3.703 4.624 -0.921 1
1 658 . 5 1 1 A 81 81 SER N N 81 122.449 124.214 -1.765 1
1 659 . 5 1 1 A 82 82 SER H H 82 8.566 8.862 -0.296 1
1 660 . 5 1 1 A 82 82 SER HA H 82 4.019 4.097 -0.078 1
1 663 . 5 1 1 A 82 82 SER N N 82 117.460 118.787 -1.327 1
1 664 . 5 1 1 A 83 83 VAL H H 83 7.232 7.485 -0.253 1
1 665 . 5 1 1 A 83 83 VAL HA H 83 4.182 4.317 -0.135 1
1 673 . 5 1 1 A 83 83 VAL N N 83 113.299 113.787 -0.488 1
1 674 . 5 1 1 A 84 84 GLY H H 84 7.160 7.351 -0.191 1
1 675 . 5 1 1 A 84 84 GLY HA2 H 84 4.194 4.085 0.109 1
1 676 . 5 1 1 A 84 84 GLY HA3 H 84 3.509 4.100 -0.591 1
1 677 . 5 1 1 A 84 84 GLY N N 84 109.922 108.879 1.043 1
1 678 . 5 1 1 A 85 85 PHE H H 85 8.583 8.303 0.280 1
1 679 . 5 1 1 A 85 85 PHE HA H 85 4.935 5.329 -0.394 1
1 687 . 5 1 1 A 85 85 PHE N N 85 122.045 119.590 2.455 1
1 688 . 5 1 1 A 86 86 LEU H H 86 9.525 9.422 0.103 1
1 689 . 5 1 1 A 86 86 LEU HA H 86 5.476 5.294 0.182 1
1 699 . 5 1 1 A 86 86 LEU N N 86 121.224 124.237 -3.013 1
1 700 . 5 1 1 A 87 87 ILE H H 87 8.479 9.315 -0.836 1
1 701 . 5 1 1 A 87 87 ILE HA H 87 4.002 4.961 -0.959 1
1 711 . 5 1 1 A 87 87 ILE N N 87 119.241 127.166 -7.925 1
1 712 . 5 1 1 A 88 88 VAL H H 88 8.838 9.267 -0.429 1
1 713 . 5 1 1 A 88 88 VAL HA H 88 4.935 5.036 -0.101 1
1 721 . 5 1 1 A 88 88 VAL N N 88 125.698 128.580 -2.882 1
1 722 . 5 1 1 A 89 89 ARG H H 89 9.061 8.873 0.188 1
1 723 . 5 1 1 A 89 89 ARG HA H 89 5.200 4.779 0.421 1
1 731 . 5 1 1 A 89 89 ARG N N 89 126.677 128.097 -1.420 1
1 733 . 5 1 1 A 90 90 LEU H H 90 8.047 8.589 -0.542 1
1 734 . 5 1 1 A 90 90 LEU HA H 90 4.164 4.401 -0.237 1
1 744 . 5 1 1 A 90 90 LEU N N 90 127.853 128.065 -0.212 1
1 745 . 5 1 1 A 91 91 ASP H H 91 8.569 8.817 -0.248 1
1 746 . 5 1 1 A 91 91 ASP HA H 91 4.491 4.497 -0.006 1
1 749 . 5 1 1 A 91 91 ASP N N 91 128.030 126.495 1.535 1
1 750 . 5 1 1 A 92 92 ASP H H 92 7.672 7.539 0.133 1
1 751 . 5 1 1 A 92 92 ASP HA H 92 4.555 4.972 -0.417 1
1 754 . 5 1 1 A 92 92 ASP N N 92 115.964 117.082 -1.118 1
1 755 . 5 1 1 A 93 93 ILE H H 93 8.889 8.505 0.384 1
1 756 . 5 1 1 A 93 93 ILE HA H 93 4.751 5.057 -0.306 1
1 766 . 5 1 1 A 93 93 ILE N N 93 120.472 122.028 -1.556 1
1 767 . 5 1 1 A 94 94 GLN H H 94 8.851 8.973 -0.122 1
1 768 . 5 1 1 A 94 94 GLN HA H 94 4.422 5.022 -0.600 1
1 775 . 5 1 1 A 94 94 GLN N N 94 126.658 126.009 0.649 1
1 777 . 5 1 1 A 95 95 ALA H H 95 8.525 8.227 0.298 1
1 778 . 5 1 1 A 95 95 ALA HA H 95 4.210 4.556 -0.346 1
1 782 . 5 1 1 A 95 95 ALA N N 95 127.085 126.269 0.816 1
1 783 . 5 1 1 A 96 96 ALA H H 96 8.308 8.033 0.275 1
1 784 . 5 1 1 A 96 96 ALA HA H 96 4.036 3.874 0.162 1
1 788 . 5 1 1 A 96 96 ALA N N 96 122.992 116.340 6.652 1
1 789 . 5 1 1 A 97 97 HIS H H 97 8.197 7.756 0.441 1
1 790 . 5 1 1 A 97 97 HIS HA H 97 4.463 5.023 -0.560 1
1 793 . 5 1 1 A 97 97 HIS N N 97 118.058 111.144 6.914 1
1 6 . 6 1 1 A 2 2 GLN H H 2 8.503 8.113 0.390 1
1 7 . 6 1 1 A 2 2 GLN HA H 2 4.532 4.618 -0.086 1
1 14 . 6 1 1 A 2 2 GLN N N 2 125.165 122.245 2.920 1
1 16 . 6 1 1 A 3 3 PRO HA H 3 4.217 4.531 -0.314 1
1 23 . 6 1 1 A 4 4 GLN H H 4 8.492 8.284 0.208 1
1 24 . 6 1 1 A 4 4 GLN HA H 4 4.382 4.263 0.119 1
1 31 . 6 1 1 A 4 4 GLN N N 4 120.871 118.784 2.087 1
1 33 . 6 1 1 A 5 5 ARG H H 5 8.365 9.322 -0.957 1
1 34 . 6 1 1 A 5 5 ARG HA H 5 5.165 5.284 -0.119 1
1 42 . 6 1 1 A 5 5 ARG N N 5 121.503 119.697 1.806 1
1 44 . 6 1 1 A 6 6 THR H H 6 8.801 9.421 -0.620 1
1 45 . 6 1 1 A 6 6 THR HA H 6 4.751 4.960 -0.209 1
1 50 . 6 1 1 A 6 6 THR N N 6 116.539 117.041 -0.502 1
1 51 . 6 1 1 A 7 7 ARG H H 7 8.337 8.205 0.132 1
1 52 . 6 1 1 A 7 7 ARG HA H 7 4.567 4.490 0.077 1
1 60 . 6 1 1 A 7 7 ARG N N 7 129.822 126.338 3.484 1
1 62 . 6 1 1 A 8 8 TYR H H 8 7.810 8.460 -0.650 1
1 63 . 6 1 1 A 8 8 TYR HA H 8 5.211 5.055 0.156 1
1 70 . 6 1 1 A 8 8 TYR N N 8 125.080 126.754 -1.674 1
1 71 . 6 1 1 A 9 9 SER H H 9 8.654 8.944 -0.290 1
1 72 . 6 1 1 A 9 9 SER HA H 9 5.361 5.400 -0.039 1
1 75 . 6 1 1 A 9 9 SER N N 9 114.459 119.532 -5.073 1
1 76 . 6 1 1 A 10 10 ILE H H 10 9.112 9.192 -0.080 1
1 77 . 6 1 1 A 10 10 ILE HA H 10 5.709 5.899 -0.190 1
1 87 . 6 1 1 A 10 10 ILE N N 10 116.723 119.952 -3.229 1
1 88 . 6 1 1 A 11 11 ILE H H 11 8.827 8.884 -0.057 1
1 89 . 6 1 1 A 11 11 ILE HA H 11 3.630 5.068 -1.438 1
1 99 . 6 1 1 A 11 11 ILE N N 11 122.843 121.235 1.608 1
1 100 . 6 1 1 A 12 12 GLN H H 12 8.047 8.855 -0.808 1
1 101 . 6 1 1 A 12 12 GLN HA H 12 5.529 5.118 0.411 1
1 108 . 6 1 1 A 12 12 GLN N N 12 127.853 124.038 3.815 1
1 110 . 6 1 1 A 13 13 THR H H 13 9.657 9.299 0.358 1
1 111 . 6 1 1 A 13 13 THR HA H 13 5.050 4.902 0.148 1
1 116 . 6 1 1 A 13 13 THR N N 13 117.094 116.920 0.174 1
1 117 . 6 1 1 A 14 14 LYS H H 14 9.035 8.883 0.152 1
1 118 . 6 1 1 A 14 14 LYS HA H 14 4.463 4.307 0.156 1
1 130 . 6 1 1 A 14 14 LYS N N 14 119.457 121.201 -1.744 1
1 131 . 6 1 1 A 15 15 THR H H 15 7.527 8.019 -0.492 1
1 132 . 6 1 1 A 15 15 THR HA H 15 4.785 4.995 -0.210 1
1 137 . 6 1 1 A 15 15 THR N N 15 104.566 111.348 -6.782 1
1 138 . 6 1 1 A 16 16 GLU H H 16 8.454 8.980 -0.526 1
1 139 . 6 1 1 A 16 16 GLU HA H 16 4.101 3.387 0.714 1
1 144 . 6 1 1 A 16 16 GLU N N 16 127.134 124.110 3.024 1
1 145 . 6 1 1 A 17 17 ASP H H 17 8.335 8.452 -0.117 1
1 146 . 6 1 1 A 17 17 ASP HA H 17 4.095 4.319 -0.224 1
1 149 . 6 1 1 A 17 17 ASP N N 17 117.583 119.509 -1.926 1
1 150 . 6 1 1 A 18 18 GLU H H 18 7.362 7.852 -0.490 1
1 151 . 6 1 1 A 18 18 GLU HA H 18 4.106 3.970 0.136 1
1 156 . 6 1 1 A 18 18 GLU N N 18 118.999 118.817 0.182 1
1 157 . 6 1 1 A 19 19 ALA H H 19 7.050 7.757 -0.707 1
1 158 . 6 1 1 A 19 19 ALA HA H 19 3.692 3.942 -0.250 1
1 162 . 6 1 1 A 19 19 ALA N N 19 123.146 122.606 0.540 1
1 163 . 6 1 1 A 20 20 LYS H H 20 8.335 8.150 0.185 1
1 164 . 6 1 1 A 20 20 LYS HA H 20 3.600 3.942 -0.342 1
1 173 . 6 1 1 A 20 20 LYS N N 20 117.583 116.825 0.758 1
1 174 . 6 1 1 A 21 21 ALA H H 21 7.522 7.700 -0.178 1
1 175 . 6 1 1 A 21 21 ALA HA H 21 4.091 4.035 0.056 1
1 179 . 6 1 1 A 21 21 ALA N N 21 121.260 122.307 -1.047 1
1 180 . 6 1 1 A 22 22 VAL H H 22 7.670 7.682 -0.012 1
1 181 . 6 1 1 A 22 22 VAL HA H 22 3.484 3.613 -0.129 1
1 189 . 6 1 1 A 22 22 VAL N N 22 120.352 118.626 1.726 1
1 190 . 6 1 1 A 23 23 LEU H H 23 8.175 8.545 -0.370 1
1 191 . 6 1 1 A 23 23 LEU HA H 23 3.874 4.014 -0.140 1
1 201 . 6 1 1 A 23 23 LEU N N 23 121.296 118.714 2.582 1
1 202 . 6 1 1 A 24 24 ASP H H 24 7.997 8.320 -0.323 1
1 203 . 6 1 1 A 24 24 ASP HA H 24 4.290 4.248 0.042 1
1 206 . 6 1 1 A 24 24 ASP N N 24 118.344 119.178 -0.834 1
1 207 . 6 1 1 A 25 25 GLU H H 25 7.488 7.868 -0.380 1
1 208 . 6 1 1 A 25 25 GLU HA H 25 3.874 4.090 -0.216 1
1 213 . 6 1 1 A 25 25 GLU N N 25 118.292 119.755 -1.463 1
1 214 . 6 1 1 A 26 26 LEU H H 26 8.574 7.675 0.899 1
1 215 . 6 1 1 A 26 26 LEU HA H 26 3.784 4.173 -0.389 1
1 225 . 6 1 1 A 26 26 LEU N N 26 122.270 120.458 1.812 1
1 226 . 6 1 1 A 27 27 ASN H H 27 8.663 8.147 0.516 1
1 227 . 6 1 1 A 27 27 ASN HA H 27 4.520 4.486 0.034 1
1 232 . 6 1 1 A 27 27 ASN N N 27 120.178 118.075 2.103 1
1 234 . 6 1 1 A 28 28 LYS H H 28 7.339 7.796 -0.457 1
1 235 . 6 1 1 A 28 28 LYS HA H 28 4.331 4.313 0.018 1
1 247 . 6 1 1 A 28 28 LYS N N 28 118.773 117.161 1.612 1
1 248 . 6 1 1 A 29 29 GLY H H 29 7.680 8.062 -0.382 1
1 249 . 6 1 1 A 29 29 GLY HA2 H 29 4.290 4.002 0.288 1
1 250 . 6 1 1 A 29 29 GLY HA3 H 29 3.703 4.026 -0.323 1
1 251 . 6 1 1 A 29 29 GLY N N 29 106.818 108.112 -1.294 1
1 252 . 6 1 1 A 30 30 GLY H H 30 8.241 8.227 0.014 1
1 253 . 6 1 1 A 30 30 GLY HA2 H 30 3.887 3.804 0.083 1
1 254 . 6 1 1 A 30 30 GLY HA3 H 30 3.128 3.807 -0.679 1
1 255 . 6 1 1 A 30 30 GLY N N 30 108.169 106.800 1.369 1
1 256 . 6 1 1 A 31 31 ASP H H 31 8.471 8.393 0.078 1
1 257 . 6 1 1 A 31 31 ASP HA H 31 4.555 4.976 -0.421 1
1 260 . 6 1 1 A 31 31 ASP N N 31 122.396 118.319 4.077 1
1 261 . 6 1 1 A 32 32 PHE H H 32 8.754 8.998 -0.244 1
1 262 . 6 1 1 A 32 32 PHE HA H 32 3.484 4.058 -0.574 1
1 270 . 6 1 1 A 32 32 PHE N N 32 129.042 126.216 2.826 1
1 271 . 6 1 1 A 33 33 ALA H H 33 8.099 8.162 -0.063 1
1 272 . 6 1 1 A 33 33 ALA HA H 33 4.451 4.074 0.377 1
1 276 . 6 1 1 A 33 33 ALA N N 33 118.535 121.378 -2.843 1
1 277 . 6 1 1 A 34 34 ALA H H 34 7.888 7.875 0.013 1
1 278 . 6 1 1 A 34 34 ALA HA H 34 3.945 4.097 -0.152 1
1 282 . 6 1 1 A 34 34 ALA N N 34 120.695 120.649 0.046 1
1 283 . 6 1 1 A 35 35 LEU H H 35 8.135 7.993 0.142 1
1 284 . 6 1 1 A 35 35 LEU HA H 35 3.874 3.761 0.113 1
1 294 . 6 1 1 A 35 35 LEU N N 35 119.988 118.827 1.161 1
1 295 . 6 1 1 A 36 36 ALA H H 36 8.833 8.221 0.612 1
1 296 . 6 1 1 A 36 36 ALA HA H 36 3.623 3.976 -0.353 1
1 300 . 6 1 1 A 36 36 ALA N N 36 123.123 121.489 1.634 1
1 301 . 6 1 1 A 37 37 LYS H H 37 7.838 7.827 0.011 1
1 302 . 6 1 1 A 37 37 LYS HA H 37 3.874 4.032 -0.158 1
1 311 . 6 1 1 A 37 37 LYS N N 37 115.868 117.372 -1.504 1
1 312 . 6 1 1 A 38 38 GLU H H 38 7.398 7.986 -0.588 1
1 313 . 6 1 1 A 38 38 GLU HA H 38 4.103 4.181 -0.078 1
1 318 . 6 1 1 A 38 38 GLU N N 38 115.281 119.151 -3.870 1
1 319 . 6 1 1 A 39 39 LYS H H 39 8.495 7.444 1.051 1
1 320 . 6 1 1 A 39 39 LYS HA H 39 4.411 4.285 0.126 1
1 329 . 6 1 1 A 39 39 LYS N N 39 113.533 118.858 -5.325 1
1 330 . 6 1 1 A 40 40 SER H H 40 8.188 7.657 0.531 1
1 331 . 6 1 1 A 40 40 SER HA H 40 4.198 4.508 -0.310 1
1 334 . 6 1 1 A 40 40 SER N N 40 111.913 115.547 -3.634 1
1 335 . 6 1 1 A 41 41 ALA H H 41 9.472 9.297 0.175 1
1 336 . 6 1 1 A 41 41 ALA HA H 41 4.210 4.282 -0.072 1
1 340 . 6 1 1 A 41 41 ALA N N 41 128.478 126.396 2.082 1
1 341 . 6 1 1 A 42 42 ASP H H 42 7.328 8.017 -0.689 1
1 342 . 6 1 1 A 42 42 ASP HA H 42 4.659 4.375 0.284 1
1 345 . 6 1 1 A 42 42 ASP N N 42 118.084 118.780 -0.696 1
1 346 . 6 1 1 A 43 43 ILE H H 43 7.813 7.588 0.225 1
1 347 . 6 1 1 A 43 43 ILE HA H 43 3.715 3.840 -0.125 1
1 357 . 6 1 1 A 43 43 ILE N N 43 124.158 117.192 6.966 1
1 358 . 6 1 1 A 44 44 ILE H H 44 7.765 7.556 0.209 1
1 359 . 6 1 1 A 44 44 ILE HA H 44 3.680 3.768 -0.088 1
1 369 . 6 1 1 A 44 44 ILE N N 44 118.644 121.345 -2.701 1
1 370 . 6 1 1 A 45 45 SER H H 45 7.131 8.102 -0.971 1
1 371 . 6 1 1 A 45 45 SER HA H 45 4.348 4.546 -0.198 1
1 374 . 6 1 1 A 45 45 SER N N 45 112.128 114.871 -2.743 1
1 375 . 6 1 1 A 46 46 ALA H H 46 8.750 7.923 0.827 1
1 376 . 6 1 1 A 46 46 ALA HA H 46 3.703 4.161 -0.458 1
1 380 . 6 1 1 A 46 46 ALA N N 46 130.693 123.759 6.934 1
1 381 . 6 1 1 A 47 47 ARG H H 47 7.335 8.209 -0.874 1
1 382 . 6 1 1 A 47 47 ARG HA H 47 4.034 4.118 -0.084 1
1 390 . 6 1 1 A 47 47 ARG N N 47 113.301 118.175 -4.874 1
1 392 . 6 1 1 A 48 48 ASN H H 48 7.393 8.221 -0.828 1
1 393 . 6 1 1 A 48 48 ASN HA H 48 5.073 4.683 0.390 1
1 398 . 6 1 1 A 48 48 ASN N N 48 116.377 113.788 2.589 1
1 400 . 6 1 1 A 49 49 GLY H H 49 8.146 8.306 -0.160 1
1 401 . 6 1 1 A 49 49 GLY HA2 H 49 4.023 3.925 0.098 1
1 402 . 6 1 1 A 49 49 GLY HA3 H 49 3.943 3.929 0.014 1
1 403 . 6 1 1 A 49 49 GLY N N 49 109.272 109.726 -0.454 1
1 404 . 6 1 1 A 50 50 GLY H H 50 8.422 8.655 -0.233 1
1 405 . 6 1 1 A 50 50 GLY HA2 H 50 4.440 3.977 0.463 1
1 406 . 6 1 1 A 50 50 GLY HA3 H 50 3.450 4.065 -0.615 1
1 407 . 6 1 1 A 50 50 GLY N N 50 106.705 107.030 -0.325 1
1 408 . 6 1 1 A 51 51 ASP H H 51 6.672 8.619 -1.947 1
1 409 . 6 1 1 A 51 51 ASP HA H 51 4.601 4.903 -0.302 1
1 412 . 6 1 1 A 51 51 ASP N N 51 118.848 119.964 -1.116 1
1 413 . 6 1 1 A 52 52 MET H H 52 9.118 9.331 -0.213 1
1 414 . 6 1 1 A 52 52 MET HA H 52 4.302 4.547 -0.245 1
1 419 . 6 1 1 A 52 52 MET N N 52 126.094 122.759 3.335 1
1 420 . 6 1 1 A 53 53 GLY H H 53 8.274 7.530 0.744 1
1 421 . 6 1 1 A 53 53 GLY HA2 H 53 4.049 3.980 0.069 1
1 422 . 6 1 1 A 53 53 GLY HA3 H 53 3.315 4.067 -0.752 1
1 423 . 6 1 1 A 53 53 GLY N N 53 107.535 106.029 1.506 1
1 424 . 6 1 1 A 54 54 TRP H H 54 8.154 8.414 -0.260 1
1 425 . 6 1 1 A 54 54 TRP HA H 54 4.233 5.007 -0.774 1
1 434 . 6 1 1 A 54 54 TRP N N 54 117.028 122.214 -5.186 1
1 436 . 6 1 1 A 55 55 LEU H H 55 8.910 9.161 -0.251 1
1 437 . 6 1 1 A 55 55 LEU HA H 55 4.753 5.228 -0.475 1
1 447 . 6 1 1 A 55 55 LEU N N 55 125.087 121.274 3.813 1
1 448 . 6 1 1 A 56 56 GLU H H 56 8.213 8.439 -0.226 1
1 449 . 6 1 1 A 56 56 GLU HA H 56 4.601 4.476 0.125 1
1 454 . 6 1 1 A 56 56 GLU N N 56 120.058 119.164 0.894 1
1 455 . 6 1 1 A 57 57 ASP H H 57 8.706 9.587 -0.881 1
1 456 . 6 1 1 A 57 57 ASP HA H 57 4.256 4.320 -0.064 1
1 459 . 6 1 1 A 57 57 ASP N N 57 123.804 123.466 0.338 1
1 460 . 6 1 1 A 58 58 ALA H H 58 8.566 8.751 -0.185 1
1 461 . 6 1 1 A 58 58 ALA HA H 58 4.129 4.036 0.093 1
1 465 . 6 1 1 A 58 58 ALA N N 58 117.470 123.427 -5.957 1
1 466 . 6 1 1 A 59 59 THR H H 59 7.873 8.027 -0.154 1
1 467 . 6 1 1 A 59 59 THR HA H 59 4.382 4.474 -0.092 1
1 472 . 6 1 1 A 59 59 THR N N 59 106.456 107.035 -0.579 1
1 473 . 6 1 1 A 60 60 ILE H H 60 7.294 7.512 -0.218 1
1 474 . 6 1 1 A 60 60 ILE HA H 60 4.095 4.241 -0.146 1
1 484 . 6 1 1 A 60 60 ILE N N 60 124.761 126.189 -1.428 1
1 485 . 6 1 1 A 61 61 PRO HA H 61 4.365 4.560 -0.195 1
1 492 . 6 1 1 A 62 62 ASP H H 62 8.969 8.597 0.372 1
1 493 . 6 1 1 A 62 62 ASP HA H 62 4.072 4.242 -0.170 1
1 496 . 6 1 1 A 62 62 ASP N N 62 125.215 122.182 3.033 1
1 497 . 6 1 1 A 63 63 GLU H H 63 9.542 8.305 1.237 1
1 498 . 6 1 1 A 63 63 GLU HA H 63 3.841 4.075 -0.234 1
1 503 . 6 1 1 A 63 63 GLU N N 63 116.092 119.519 -3.427 1
1 504 . 6 1 1 A 64 64 LEU H H 64 6.892 7.975 -1.083 1
1 505 . 6 1 1 A 64 64 LEU HA H 64 3.829 3.874 -0.045 1
1 515 . 6 1 1 A 64 64 LEU N N 64 116.203 120.105 -3.902 1
1 516 . 6 1 1 A 65 65 LYS H H 65 7.635 7.975 -0.340 1
1 517 . 6 1 1 A 65 65 LYS HA H 65 3.829 4.083 -0.254 1
1 526 . 6 1 1 A 65 65 LYS N N 65 120.789 120.267 0.522 1
1 527 . 6 1 1 A 66 66 ASN H H 66 8.270 8.384 -0.114 1
1 528 . 6 1 1 A 66 66 ASN HA H 66 4.502 4.482 0.020 1
1 533 . 6 1 1 A 66 66 ASN N N 66 114.881 115.610 -0.729 1
1 535 . 6 1 1 A 67 67 ALA H H 67 7.136 7.571 -0.435 1
1 536 . 6 1 1 A 67 67 ALA HA H 67 4.095 4.186 -0.091 1
1 540 . 6 1 1 A 67 67 ALA N N 67 120.993 121.462 -0.469 1
1 541 . 6 1 1 A 68 68 GLY H H 68 7.654 8.292 -0.638 1
1 542 . 6 1 1 A 68 68 GLY HA2 H 68 3.715 3.910 -0.195 1
1 543 . 6 1 1 A 68 68 GLY HA3 H 68 3.714 3.913 -0.199 1
1 544 . 6 1 1 A 68 68 GLY N N 68 104.575 107.648 -3.073 1
1 545 . 6 1 1 A 69 69 LEU H H 69 8.208 8.094 0.114 1
1 546 . 6 1 1 A 69 69 LEU HA H 69 4.002 4.457 -0.455 1
1 556 . 6 1 1 A 69 69 LEU N N 69 119.478 122.695 -3.217 1
1 557 . 6 1 1 A 70 70 LYS H H 70 8.525 9.118 -0.593 1
1 558 . 6 1 1 A 70 70 LYS HA H 70 4.342 4.495 -0.153 1
1 567 . 6 1 1 A 70 70 LYS N N 70 120.087 126.571 -6.484 1
1 568 . 6 1 1 A 71 71 GLU H H 71 7.727 8.101 -0.374 1
1 569 . 6 1 1 A 71 71 GLU HA H 71 4.532 4.719 -0.187 1
1 574 . 6 1 1 A 71 71 GLU N N 71 118.339 116.985 1.354 1
1 575 . 6 1 1 A 72 72 LYS H H 72 8.574 8.614 -0.040 1
1 576 . 6 1 1 A 72 72 LYS HA H 72 3.519 3.855 -0.336 1
1 585 . 6 1 1 A 72 72 LYS N N 72 122.270 123.738 -1.468 1
1 586 . 6 1 1 A 73 73 GLY H H 73 9.551 8.883 0.668 1
1 587 . 6 1 1 A 73 73 GLY HA2 H 73 4.148 3.989 0.159 1
1 588 . 6 1 1 A 73 73 GLY HA3 H 73 3.349 3.998 -0.649 1
1 589 . 6 1 1 A 73 73 GLY N N 73 114.854 114.975 -0.121 1
1 590 . 6 1 1 A 74 74 GLN H H 74 7.926 7.400 0.526 1
1 591 . 6 1 1 A 74 74 GLN HA H 74 3.979 4.670 -0.691 1
1 598 . 6 1 1 A 74 74 GLN N N 74 122.200 121.254 0.946 1
1 600 . 6 1 1 A 75 75 LEU H H 75 8.130 8.581 -0.451 1
1 601 . 6 1 1 A 75 75 LEU HA H 75 5.187 4.801 0.386 1
1 611 . 6 1 1 A 75 75 LEU N N 75 124.036 122.416 1.620 1
1 612 . 6 1 1 A 76 76 SER H H 76 9.245 8.902 0.343 1
1 613 . 6 1 1 A 76 76 SER HA H 76 4.382 4.172 0.210 1
1 616 . 6 1 1 A 76 76 SER N N 76 119.351 115.115 4.236 1
1 617 . 6 1 1 A 77 77 GLY H H 77 7.656 7.744 -0.088 1
1 618 . 6 1 1 A 77 77 GLY HA2 H 77 4.371 4.040 0.331 1
1 619 . 6 1 1 A 77 77 GLY HA3 H 77 3.611 4.040 -0.429 1
1 620 . 6 1 1 A 77 77 GLY N N 77 102.417 108.866 -6.449 1
1 621 . 6 1 1 A 78 78 VAL H H 78 8.421 8.981 -0.560 1
1 622 . 6 1 1 A 78 78 VAL HA H 78 3.853 4.529 -0.676 1
1 630 . 6 1 1 A 78 78 VAL N N 78 118.736 126.680 -7.944 1
1 631 . 6 1 1 A 79 79 ILE H H 79 9.387 9.642 -0.255 1
1 632 . 6 1 1 A 79 79 ILE HA H 79 4.210 4.710 -0.500 1
1 642 . 6 1 1 A 79 79 ILE N N 79 132.591 128.888 3.703 1
1 643 . 6 1 1 A 80 80 LYS H H 80 8.628 8.723 -0.095 1
1 644 . 6 1 1 A 80 80 LYS HA H 80 3.922 4.658 -0.736 1
1 653 . 6 1 1 A 80 80 LYS N N 80 128.368 129.665 -1.297 1
1 654 . 6 1 1 A 81 81 SER H H 81 7.919 8.198 -0.279 1
1 655 . 6 1 1 A 81 81 SER HA H 81 3.703 4.831 -1.128 1
1 658 . 6 1 1 A 81 81 SER N N 81 122.449 122.316 0.133 1
1 659 . 6 1 1 A 82 82 SER H H 82 8.566 9.199 -0.633 1
1 660 . 6 1 1 A 82 82 SER HA H 82 4.019 4.115 -0.096 1
1 663 . 6 1 1 A 82 82 SER N N 82 117.460 119.908 -2.448 1
1 664 . 6 1 1 A 83 83 VAL H H 83 7.232 7.037 0.195 1
1 665 . 6 1 1 A 83 83 VAL HA H 83 4.182 4.112 0.070 1
1 673 . 6 1 1 A 83 83 VAL N N 83 113.299 113.623 -0.324 1
1 674 . 6 1 1 A 84 84 GLY H H 84 7.160 7.045 0.115 1
1 675 . 6 1 1 A 84 84 GLY HA2 H 84 4.194 3.862 0.332 1
1 676 . 6 1 1 A 84 84 GLY HA3 H 84 3.509 4.050 -0.541 1
1 677 . 6 1 1 A 84 84 GLY N N 84 109.922 108.998 0.924 1
1 678 . 6 1 1 A 85 85 PHE H H 85 8.583 8.044 0.539 1
1 679 . 6 1 1 A 85 85 PHE HA H 85 4.935 5.566 -0.631 1
1 687 . 6 1 1 A 85 85 PHE N N 85 122.045 120.801 1.244 1
1 688 . 6 1 1 A 86 86 LEU H H 86 9.525 9.263 0.262 1
1 689 . 6 1 1 A 86 86 LEU HA H 86 5.476 5.185 0.291 1
1 699 . 6 1 1 A 86 86 LEU N N 86 121.224 124.532 -3.308 1
1 700 . 6 1 1 A 87 87 ILE H H 87 8.479 9.645 -1.166 1
1 701 . 6 1 1 A 87 87 ILE HA H 87 4.002 4.925 -0.923 1
1 711 . 6 1 1 A 87 87 ILE N N 87 119.241 127.301 -8.060 1
1 712 . 6 1 1 A 88 88 VAL H H 88 8.838 9.060 -0.222 1
1 713 . 6 1 1 A 88 88 VAL HA H 88 4.935 4.903 0.032 1
1 721 . 6 1 1 A 88 88 VAL N N 88 125.698 128.827 -3.129 1
1 722 . 6 1 1 A 89 89 ARG H H 89 9.061 9.252 -0.191 1
1 723 . 6 1 1 A 89 89 ARG HA H 89 5.200 4.881 0.319 1
1 731 . 6 1 1 A 89 89 ARG N N 89 126.677 128.512 -1.835 1
1 733 . 6 1 1 A 90 90 LEU H H 90 8.047 8.386 -0.339 1
1 734 . 6 1 1 A 90 90 LEU HA H 90 4.164 4.253 -0.089 1
1 744 . 6 1 1 A 90 90 LEU N N 90 127.853 128.563 -0.710 1
1 745 . 6 1 1 A 91 91 ASP H H 91 8.569 8.665 -0.096 1
1 746 . 6 1 1 A 91 91 ASP HA H 91 4.491 4.474 0.017 1
1 749 . 6 1 1 A 91 91 ASP N N 91 128.030 127.016 1.014 1
1 750 . 6 1 1 A 92 92 ASP H H 92 7.672 7.546 0.126 1
1 751 . 6 1 1 A 92 92 ASP HA H 92 4.555 4.974 -0.419 1
1 754 . 6 1 1 A 92 92 ASP N N 92 115.964 117.064 -1.100 1
1 755 . 6 1 1 A 93 93 ILE H H 93 8.889 8.566 0.323 1
1 756 . 6 1 1 A 93 93 ILE HA H 93 4.751 4.965 -0.214 1
1 766 . 6 1 1 A 93 93 ILE N N 93 120.472 121.941 -1.469 1
1 767 . 6 1 1 A 94 94 GLN H H 94 8.851 9.558 -0.707 1
1 768 . 6 1 1 A 94 94 GLN HA H 94 4.422 4.981 -0.559 1
1 775 . 6 1 1 A 94 94 GLN N N 94 126.658 126.341 0.317 1
1 777 . 6 1 1 A 95 95 ALA H H 95 8.525 8.743 -0.218 1
1 778 . 6 1 1 A 95 95 ALA HA H 95 4.210 4.223 -0.013 1
1 782 . 6 1 1 A 95 95 ALA N N 95 127.085 128.255 -1.170 1
1 783 . 6 1 1 A 96 96 ALA H H 96 8.308 7.942 0.366 1
1 784 . 6 1 1 A 96 96 ALA HA H 96 4.036 4.051 -0.015 1
1 788 . 6 1 1 A 96 96 ALA N N 96 122.992 123.659 -0.667 1
1 789 . 6 1 1 A 97 97 HIS H H 97 8.197 8.844 -0.647 1
1 790 . 6 1 1 A 97 97 HIS HA H 97 4.463 4.392 0.071 1
1 793 . 6 1 1 A 97 97 HIS N N 97 118.058 121.030 -2.972 1
1 6 . 7 1 1 A 2 2 GLN H H 2 8.503 8.733 -0.230 1
1 7 . 7 1 1 A 2 2 GLN HA H 2 4.532 4.659 -0.127 1
1 14 . 7 1 1 A 2 2 GLN N N 2 125.165 128.047 -2.882 1
1 16 . 7 1 1 A 3 3 PRO HA H 3 4.217 4.551 -0.334 1
1 23 . 7 1 1 A 4 4 GLN H H 4 8.492 8.308 0.184 1
1 24 . 7 1 1 A 4 4 GLN HA H 4 4.382 4.340 0.042 1
1 31 . 7 1 1 A 4 4 GLN N N 4 120.871 119.168 1.703 1
1 33 . 7 1 1 A 5 5 ARG H H 5 8.365 8.725 -0.360 1
1 34 . 7 1 1 A 5 5 ARG HA H 5 5.165 5.643 -0.478 1
1 42 . 7 1 1 A 5 5 ARG N N 5 121.503 120.611 0.892 1
1 44 . 7 1 1 A 6 6 THR H H 6 8.801 8.773 0.028 1
1 45 . 7 1 1 A 6 6 THR HA H 6 4.751 4.929 -0.178 1
1 50 . 7 1 1 A 6 6 THR N N 6 116.539 116.646 -0.107 1
1 51 . 7 1 1 A 7 7 ARG H H 7 8.337 8.921 -0.584 1
1 52 . 7 1 1 A 7 7 ARG HA H 7 4.567 4.412 0.155 1
1 60 . 7 1 1 A 7 7 ARG N N 7 129.822 126.940 2.882 1
1 62 . 7 1 1 A 8 8 TYR H H 8 7.810 8.761 -0.951 1
1 63 . 7 1 1 A 8 8 TYR HA H 8 5.211 5.072 0.139 1
1 70 . 7 1 1 A 8 8 TYR N N 8 125.080 126.867 -1.787 1
1 71 . 7 1 1 A 9 9 SER H H 9 8.654 8.569 0.085 1
1 72 . 7 1 1 A 9 9 SER HA H 9 5.361 5.665 -0.304 1
1 75 . 7 1 1 A 9 9 SER N N 9 114.459 118.653 -4.194 1
1 76 . 7 1 1 A 10 10 ILE H H 10 9.112 9.121 -0.009 1
1 77 . 7 1 1 A 10 10 ILE HA H 10 5.709 5.929 -0.220 1
1 87 . 7 1 1 A 10 10 ILE N N 10 116.723 120.721 -3.998 1
1 88 . 7 1 1 A 11 11 ILE H H 11 8.827 9.021 -0.194 1
1 89 . 7 1 1 A 11 11 ILE HA H 11 3.630 5.068 -1.438 1
1 99 . 7 1 1 A 11 11 ILE N N 11 122.843 121.372 1.471 1
1 100 . 7 1 1 A 12 12 GLN H H 12 8.047 8.722 -0.675 1
1 101 . 7 1 1 A 12 12 GLN HA H 12 5.529 5.003 0.526 1
1 108 . 7 1 1 A 12 12 GLN N N 12 127.853 123.609 4.244 1
1 110 . 7 1 1 A 13 13 THR H H 13 9.657 9.474 0.183 1
1 111 . 7 1 1 A 13 13 THR HA H 13 5.050 4.977 0.073 1
1 116 . 7 1 1 A 13 13 THR N N 13 117.094 117.030 0.064 1
1 117 . 7 1 1 A 14 14 LYS H H 14 9.035 8.730 0.305 1
1 118 . 7 1 1 A 14 14 LYS HA H 14 4.463 4.151 0.312 1
1 130 . 7 1 1 A 14 14 LYS N N 14 119.457 123.625 -4.168 1
1 131 . 7 1 1 A 15 15 THR H H 15 7.527 7.902 -0.375 1
1 132 . 7 1 1 A 15 15 THR HA H 15 4.785 5.016 -0.231 1
1 137 . 7 1 1 A 15 15 THR N N 15 104.566 111.125 -6.559 1
1 138 . 7 1 1 A 16 16 GLU H H 16 8.454 8.728 -0.274 1
1 139 . 7 1 1 A 16 16 GLU HA H 16 4.101 3.001 1.100 1
1 144 . 7 1 1 A 16 16 GLU N N 16 127.134 123.462 3.672 1
1 145 . 7 1 1 A 17 17 ASP H H 17 8.335 8.436 -0.101 1
1 146 . 7 1 1 A 17 17 ASP HA H 17 4.095 4.249 -0.154 1
1 149 . 7 1 1 A 17 17 ASP N N 17 117.583 119.533 -1.950 1
1 150 . 7 1 1 A 18 18 GLU H H 18 7.362 7.742 -0.380 1
1 151 . 7 1 1 A 18 18 GLU HA H 18 4.106 3.957 0.149 1
1 156 . 7 1 1 A 18 18 GLU N N 18 118.999 118.516 0.483 1
1 157 . 7 1 1 A 19 19 ALA H H 19 7.050 7.971 -0.921 1
1 158 . 7 1 1 A 19 19 ALA HA H 19 3.692 4.032 -0.340 1
1 162 . 7 1 1 A 19 19 ALA N N 19 123.146 122.390 0.756 1
1 163 . 7 1 1 A 20 20 LYS H H 20 8.335 8.269 0.066 1
1 164 . 7 1 1 A 20 20 LYS HA H 20 3.600 3.939 -0.339 1
1 173 . 7 1 1 A 20 20 LYS N N 20 117.583 116.801 0.782 1
1 174 . 7 1 1 A 21 21 ALA H H 21 7.522 7.759 -0.237 1
1 175 . 7 1 1 A 21 21 ALA HA H 21 4.091 4.029 0.062 1
1 179 . 7 1 1 A 21 21 ALA N N 21 121.260 122.400 -1.140 1
1 180 . 7 1 1 A 22 22 VAL H H 22 7.670 7.665 0.005 1
1 181 . 7 1 1 A 22 22 VAL HA H 22 3.484 3.549 -0.065 1
1 189 . 7 1 1 A 22 22 VAL N N 22 120.352 118.371 1.981 1
1 190 . 7 1 1 A 23 23 LEU H H 23 8.175 8.520 -0.345 1
1 191 . 7 1 1 A 23 23 LEU HA H 23 3.874 4.009 -0.135 1
1 201 . 7 1 1 A 23 23 LEU N N 23 121.296 118.305 2.991 1
1 202 . 7 1 1 A 24 24 ASP H H 24 7.997 8.614 -0.617 1
1 203 . 7 1 1 A 24 24 ASP HA H 24 4.290 4.276 0.014 1
1 206 . 7 1 1 A 24 24 ASP N N 24 118.344 119.182 -0.838 1
1 207 . 7 1 1 A 25 25 GLU H H 25 7.488 7.445 0.043 1
1 208 . 7 1 1 A 25 25 GLU HA H 25 3.874 4.137 -0.263 1
1 213 . 7 1 1 A 25 25 GLU N N 25 118.292 119.753 -1.461 1
1 214 . 7 1 1 A 26 26 LEU H H 26 8.574 7.919 0.655 1
1 215 . 7 1 1 A 26 26 LEU HA H 26 3.784 4.215 -0.431 1
1 225 . 7 1 1 A 26 26 LEU N N 26 122.270 120.333 1.937 1
1 226 . 7 1 1 A 27 27 ASN H H 27 8.663 8.227 0.436 1
1 227 . 7 1 1 A 27 27 ASN HA H 27 4.520 4.537 -0.017 1
1 232 . 7 1 1 A 27 27 ASN N N 27 120.178 118.038 2.140 1
1 234 . 7 1 1 A 28 28 LYS H H 28 7.339 7.496 -0.157 1
1 235 . 7 1 1 A 28 28 LYS HA H 28 4.331 4.181 0.150 1
1 247 . 7 1 1 A 28 28 LYS N N 28 118.773 116.365 2.408 1
1 248 . 7 1 1 A 29 29 GLY H H 29 7.680 7.423 0.257 1
1 249 . 7 1 1 A 29 29 GLY HA2 H 29 4.290 3.996 0.294 1
1 250 . 7 1 1 A 29 29 GLY HA3 H 29 3.703 4.012 -0.309 1
1 251 . 7 1 1 A 29 29 GLY N N 29 106.818 107.832 -1.014 1
1 252 . 7 1 1 A 30 30 GLY H H 30 8.241 8.229 0.012 1
1 253 . 7 1 1 A 30 30 GLY HA2 H 30 3.887 3.804 0.083 1
1 254 . 7 1 1 A 30 30 GLY HA3 H 30 3.128 3.805 -0.677 1
1 255 . 7 1 1 A 30 30 GLY N N 30 108.169 106.997 1.172 1
1 256 . 7 1 1 A 31 31 ASP H H 31 8.471 8.015 0.456 1
1 257 . 7 1 1 A 31 31 ASP HA H 31 4.555 5.012 -0.457 1
1 260 . 7 1 1 A 31 31 ASP N N 31 122.396 118.316 4.080 1
1 261 . 7 1 1 A 32 32 PHE H H 32 8.754 9.016 -0.262 1
1 262 . 7 1 1 A 32 32 PHE HA H 32 3.484 4.058 -0.574 1
1 270 . 7 1 1 A 32 32 PHE N N 32 129.042 126.298 2.744 1
1 271 . 7 1 1 A 33 33 ALA H H 33 8.099 8.523 -0.424 1
1 272 . 7 1 1 A 33 33 ALA HA H 33 4.451 4.008 0.443 1
1 276 . 7 1 1 A 33 33 ALA N N 33 118.535 121.141 -2.606 1
1 277 . 7 1 1 A 34 34 ALA H H 34 7.888 8.296 -0.408 1
1 278 . 7 1 1 A 34 34 ALA HA H 34 3.945 4.102 -0.157 1
1 282 . 7 1 1 A 34 34 ALA N N 34 120.695 120.624 0.071 1
1 283 . 7 1 1 A 35 35 LEU H H 35 8.135 7.999 0.136 1
1 284 . 7 1 1 A 35 35 LEU HA H 35 3.874 3.844 0.030 1
1 294 . 7 1 1 A 35 35 LEU N N 35 119.988 118.586 1.402 1
1 295 . 7 1 1 A 36 36 ALA H H 36 8.833 8.091 0.742 1
1 296 . 7 1 1 A 36 36 ALA HA H 36 3.623 3.867 -0.244 1
1 300 . 7 1 1 A 36 36 ALA N N 36 123.123 121.903 1.220 1
1 301 . 7 1 1 A 37 37 LYS H H 37 7.838 7.680 0.158 1
1 302 . 7 1 1 A 37 37 LYS HA H 37 3.874 4.082 -0.208 1
1 311 . 7 1 1 A 37 37 LYS N N 37 115.868 117.287 -1.419 1
1 312 . 7 1 1 A 38 38 GLU H H 38 7.398 8.147 -0.749 1
1 313 . 7 1 1 A 38 38 GLU HA H 38 4.103 4.171 -0.068 1
1 318 . 7 1 1 A 38 38 GLU N N 38 115.281 119.363 -4.082 1
1 319 . 7 1 1 A 39 39 LYS H H 39 8.495 7.645 0.850 1
1 320 . 7 1 1 A 39 39 LYS HA H 39 4.411 4.205 0.206 1
1 329 . 7 1 1 A 39 39 LYS N N 39 113.533 119.023 -5.490 1
1 330 . 7 1 1 A 40 40 SER H H 40 8.188 7.540 0.648 1
1 331 . 7 1 1 A 40 40 SER HA H 40 4.198 4.720 -0.522 1
1 334 . 7 1 1 A 40 40 SER N N 40 111.913 115.442 -3.529 1
1 335 . 7 1 1 A 41 41 ALA H H 41 9.472 9.146 0.326 1
1 336 . 7 1 1 A 41 41 ALA HA H 41 4.210 4.261 -0.051 1
1 340 . 7 1 1 A 41 41 ALA N N 41 128.478 128.612 -0.134 1
1 341 . 7 1 1 A 42 42 ASP H H 42 7.328 8.141 -0.813 1
1 342 . 7 1 1 A 42 42 ASP HA H 42 4.659 4.436 0.223 1
1 345 . 7 1 1 A 42 42 ASP N N 42 118.084 119.286 -1.202 1
1 346 . 7 1 1 A 43 43 ILE H H 43 7.813 7.613 0.200 1
1 347 . 7 1 1 A 43 43 ILE HA H 43 3.715 3.834 -0.119 1
1 357 . 7 1 1 A 43 43 ILE N N 43 124.158 117.127 7.031 1
1 358 . 7 1 1 A 44 44 ILE H H 44 7.765 7.582 0.183 1
1 359 . 7 1 1 A 44 44 ILE HA H 44 3.680 3.762 -0.082 1
1 369 . 7 1 1 A 44 44 ILE N N 44 118.644 121.355 -2.711 1
1 370 . 7 1 1 A 45 45 SER H H 45 7.131 8.286 -1.155 1
1 371 . 7 1 1 A 45 45 SER HA H 45 4.348 4.565 -0.217 1
1 374 . 7 1 1 A 45 45 SER N N 45 112.128 115.203 -3.075 1
1 375 . 7 1 1 A 46 46 ALA H H 46 8.750 8.355 0.395 1
1 376 . 7 1 1 A 46 46 ALA HA H 46 3.703 4.007 -0.304 1
1 380 . 7 1 1 A 46 46 ALA N N 46 130.693 123.251 7.442 1
1 381 . 7 1 1 A 47 47 ARG H H 47 7.335 8.234 -0.899 1
1 382 . 7 1 1 A 47 47 ARG HA H 47 4.034 4.112 -0.078 1
1 390 . 7 1 1 A 47 47 ARG N N 47 113.301 118.080 -4.779 1
1 392 . 7 1 1 A 48 48 ASN H H 48 7.393 8.405 -1.012 1
1 393 . 7 1 1 A 48 48 ASN HA H 48 5.073 4.683 0.390 1
1 398 . 7 1 1 A 48 48 ASN N N 48 116.377 114.024 2.353 1
1 400 . 7 1 1 A 49 49 GLY H H 49 8.146 8.288 -0.142 1
1 401 . 7 1 1 A 49 49 GLY HA2 H 49 4.023 3.938 0.085 1
1 402 . 7 1 1 A 49 49 GLY HA3 H 49 3.943 3.941 0.002 1
1 403 . 7 1 1 A 49 49 GLY N N 49 109.272 109.571 -0.299 1
1 404 . 7 1 1 A 50 50 GLY H H 50 8.422 8.412 0.010 1
1 405 . 7 1 1 A 50 50 GLY HA2 H 50 4.440 3.948 0.492 1
1 406 . 7 1 1 A 50 50 GLY HA3 H 50 3.450 4.043 -0.593 1
1 407 . 7 1 1 A 50 50 GLY N N 50 106.705 107.091 -0.386 1
1 408 . 7 1 1 A 51 51 ASP H H 51 6.672 8.500 -1.828 1
1 409 . 7 1 1 A 51 51 ASP HA H 51 4.601 4.845 -0.244 1
1 412 . 7 1 1 A 51 51 ASP N N 51 118.848 120.882 -2.034 1
1 413 . 7 1 1 A 52 52 MET H H 52 9.118 8.897 0.221 1
1 414 . 7 1 1 A 52 52 MET HA H 52 4.302 4.456 -0.154 1
1 419 . 7 1 1 A 52 52 MET N N 52 126.094 125.173 0.921 1
1 420 . 7 1 1 A 53 53 GLY H H 53 8.274 7.780 0.494 1
1 421 . 7 1 1 A 53 53 GLY HA2 H 53 4.049 4.002 0.047 1
1 422 . 7 1 1 A 53 53 GLY HA3 H 53 3.315 4.085 -0.770 1
1 423 . 7 1 1 A 53 53 GLY N N 53 107.535 106.148 1.387 1
1 424 . 7 1 1 A 54 54 TRP H H 54 8.154 8.414 -0.260 1
1 425 . 7 1 1 A 54 54 TRP HA H 54 4.233 5.157 -0.924 1
1 434 . 7 1 1 A 54 54 TRP N N 54 117.028 122.780 -5.752 1
1 436 . 7 1 1 A 55 55 LEU H H 55 8.910 8.475 0.435 1
1 437 . 7 1 1 A 55 55 LEU HA H 55 4.753 5.077 -0.324 1
1 447 . 7 1 1 A 55 55 LEU N N 55 125.087 121.512 3.575 1
1 448 . 7 1 1 A 56 56 GLU H H 56 8.213 8.654 -0.441 1
1 449 . 7 1 1 A 56 56 GLU HA H 56 4.601 4.626 -0.025 1
1 454 . 7 1 1 A 56 56 GLU N N 56 120.058 119.606 0.452 1
1 455 . 7 1 1 A 57 57 ASP H H 57 8.706 9.326 -0.620 1
1 456 . 7 1 1 A 57 57 ASP HA H 57 4.256 4.406 -0.150 1
1 459 . 7 1 1 A 57 57 ASP N N 57 123.804 123.784 0.020 1
1 460 . 7 1 1 A 58 58 ALA H H 58 8.566 8.743 -0.177 1
1 461 . 7 1 1 A 58 58 ALA HA H 58 4.129 4.034 0.095 1
1 465 . 7 1 1 A 58 58 ALA N N 58 117.470 122.722 -5.252 1
1 466 . 7 1 1 A 59 59 THR H H 59 7.873 7.965 -0.092 1
1 467 . 7 1 1 A 59 59 THR HA H 59 4.382 4.487 -0.105 1
1 472 . 7 1 1 A 59 59 THR N N 59 106.456 107.176 -0.720 1
1 473 . 7 1 1 A 60 60 ILE H H 60 7.294 7.575 -0.281 1
1 474 . 7 1 1 A 60 60 ILE HA H 60 4.095 4.323 -0.228 1
1 484 . 7 1 1 A 60 60 ILE N N 60 124.761 125.714 -0.953 1
1 485 . 7 1 1 A 61 61 PRO HA H 61 4.365 4.603 -0.238 1
1 492 . 7 1 1 A 62 62 ASP H H 62 8.969 8.611 0.358 1
1 493 . 7 1 1 A 62 62 ASP HA H 62 4.072 4.274 -0.202 1
1 496 . 7 1 1 A 62 62 ASP N N 62 125.215 122.506 2.709 1
1 497 . 7 1 1 A 63 63 GLU H H 63 9.542 8.405 1.137 1
1 498 . 7 1 1 A 63 63 GLU HA H 63 3.841 4.015 -0.174 1
1 503 . 7 1 1 A 63 63 GLU N N 63 116.092 119.504 -3.412 1
1 504 . 7 1 1 A 64 64 LEU H H 64 6.892 7.816 -0.924 1
1 505 . 7 1 1 A 64 64 LEU HA H 64 3.829 3.920 -0.091 1
1 515 . 7 1 1 A 64 64 LEU N N 64 116.203 120.403 -4.200 1
1 516 . 7 1 1 A 65 65 LYS H H 65 7.635 7.850 -0.215 1
1 517 . 7 1 1 A 65 65 LYS HA H 65 3.829 4.002 -0.173 1
1 526 . 7 1 1 A 65 65 LYS N N 65 120.789 120.352 0.437 1
1 527 . 7 1 1 A 66 66 ASN H H 66 8.270 8.152 0.118 1
1 528 . 7 1 1 A 66 66 ASN HA H 66 4.502 4.614 -0.112 1
1 533 . 7 1 1 A 66 66 ASN N N 66 114.881 116.789 -1.908 1
1 535 . 7 1 1 A 67 67 ALA H H 67 7.136 7.511 -0.375 1
1 536 . 7 1 1 A 67 67 ALA HA H 67 4.095 4.142 -0.047 1
1 540 . 7 1 1 A 67 67 ALA N N 67 120.993 119.976 1.017 1
1 541 . 7 1 1 A 68 68 GLY H H 68 7.654 8.026 -0.372 1
1 542 . 7 1 1 A 68 68 GLY HA2 H 68 3.715 3.902 -0.187 1
1 543 . 7 1 1 A 68 68 GLY HA3 H 68 3.714 3.907 -0.193 1
1 544 . 7 1 1 A 68 68 GLY N N 68 104.575 107.634 -3.059 1
1 545 . 7 1 1 A 69 69 LEU H H 69 8.208 8.076 0.132 1
1 546 . 7 1 1 A 69 69 LEU HA H 69 4.002 4.492 -0.490 1
1 556 . 7 1 1 A 69 69 LEU N N 69 119.478 122.893 -3.415 1
1 557 . 7 1 1 A 70 70 LYS H H 70 8.525 8.513 0.012 1
1 558 . 7 1 1 A 70 70 LYS HA H 70 4.342 4.488 -0.146 1
1 567 . 7 1 1 A 70 70 LYS N N 70 120.087 124.768 -4.681 1
1 568 . 7 1 1 A 71 71 GLU H H 71 7.727 7.761 -0.034 1
1 569 . 7 1 1 A 71 71 GLU HA H 71 4.532 4.385 0.147 1
1 574 . 7 1 1 A 71 71 GLU N N 71 118.339 117.945 0.394 1
1 575 . 7 1 1 A 72 72 LYS H H 72 8.574 8.662 -0.088 1
1 576 . 7 1 1 A 72 72 LYS HA H 72 3.519 3.893 -0.374 1
1 585 . 7 1 1 A 72 72 LYS N N 72 122.270 124.737 -2.467 1
1 586 . 7 1 1 A 73 73 GLY H H 73 9.551 8.592 0.959 1
1 587 . 7 1 1 A 73 73 GLY HA2 H 73 4.148 3.910 0.238 1
1 588 . 7 1 1 A 73 73 GLY HA3 H 73 3.349 3.928 -0.579 1
1 589 . 7 1 1 A 73 73 GLY N N 73 114.854 114.814 0.040 1
1 590 . 7 1 1 A 74 74 GLN H H 74 7.926 8.075 -0.149 1
1 591 . 7 1 1 A 74 74 GLN HA H 74 3.979 4.304 -0.325 1
1 598 . 7 1 1 A 74 74 GLN N N 74 122.200 121.644 0.556 1
1 600 . 7 1 1 A 75 75 LEU H H 75 8.130 8.517 -0.387 1
1 601 . 7 1 1 A 75 75 LEU HA H 75 5.187 4.760 0.427 1
1 611 . 7 1 1 A 75 75 LEU N N 75 124.036 127.737 -3.701 1
1 612 . 7 1 1 A 76 76 SER H H 76 9.245 8.953 0.292 1
1 613 . 7 1 1 A 76 76 SER HA H 76 4.382 4.121 0.261 1
1 616 . 7 1 1 A 76 76 SER N N 76 119.351 117.906 1.445 1
1 617 . 7 1 1 A 77 77 GLY H H 77 7.656 7.875 -0.219 1
1 618 . 7 1 1 A 77 77 GLY HA2 H 77 4.371 4.076 0.295 1
1 619 . 7 1 1 A 77 77 GLY HA3 H 77 3.611 4.087 -0.476 1
1 620 . 7 1 1 A 77 77 GLY N N 77 102.417 107.832 -5.415 1
1 621 . 7 1 1 A 78 78 VAL H H 78 8.421 9.315 -0.894 1
1 622 . 7 1 1 A 78 78 VAL HA H 78 3.853 4.831 -0.978 1
1 630 . 7 1 1 A 78 78 VAL N N 78 118.736 126.650 -7.914 1
1 631 . 7 1 1 A 79 79 ILE H H 79 9.387 9.874 -0.487 1
1 632 . 7 1 1 A 79 79 ILE HA H 79 4.210 4.773 -0.563 1
1 642 . 7 1 1 A 79 79 ILE N N 79 132.591 129.067 3.524 1
1 643 . 7 1 1 A 80 80 LYS H H 80 8.628 8.859 -0.231 1
1 644 . 7 1 1 A 80 80 LYS HA H 80 3.922 4.580 -0.658 1
1 653 . 7 1 1 A 80 80 LYS N N 80 128.368 129.425 -1.057 1
1 654 . 7 1 1 A 81 81 SER H H 81 7.919 8.419 -0.500 1
1 655 . 7 1 1 A 81 81 SER HA H 81 3.703 4.845 -1.142 1
1 658 . 7 1 1 A 81 81 SER N N 81 122.449 124.208 -1.759 1
1 659 . 7 1 1 A 82 82 SER H H 82 8.566 9.263 -0.697 1
1 660 . 7 1 1 A 82 82 SER HA H 82 4.019 4.075 -0.056 1
1 663 . 7 1 1 A 82 82 SER N N 82 117.460 119.439 -1.979 1
1 664 . 7 1 1 A 83 83 VAL H H 83 7.232 7.638 -0.406 1
1 665 . 7 1 1 A 83 83 VAL HA H 83 4.182 4.067 0.115 1
1 673 . 7 1 1 A 83 83 VAL N N 83 113.299 118.640 -5.341 1
1 674 . 7 1 1 A 84 84 GLY H H 84 7.160 7.113 0.047 1
1 675 . 7 1 1 A 84 84 GLY HA2 H 84 4.194 3.991 0.203 1
1 676 . 7 1 1 A 84 84 GLY HA3 H 84 3.509 4.060 -0.551 1
1 677 . 7 1 1 A 84 84 GLY N N 84 109.922 108.883 1.039 1
1 678 . 7 1 1 A 85 85 PHE H H 85 8.583 8.272 0.311 1
1 679 . 7 1 1 A 85 85 PHE HA H 85 4.935 5.309 -0.374 1
1 687 . 7 1 1 A 85 85 PHE N N 85 122.045 119.363 2.682 1
1 688 . 7 1 1 A 86 86 LEU H H 86 9.525 9.283 0.242 1
1 689 . 7 1 1 A 86 86 LEU HA H 86 5.476 5.314 0.162 1
1 699 . 7 1 1 A 86 86 LEU N N 86 121.224 124.206 -2.982 1
1 700 . 7 1 1 A 87 87 ILE H H 87 8.479 9.704 -1.225 1
1 701 . 7 1 1 A 87 87 ILE HA H 87 4.002 5.116 -1.114 1
1 711 . 7 1 1 A 87 87 ILE N N 87 119.241 127.184 -7.943 1
1 712 . 7 1 1 A 88 88 VAL H H 88 8.838 9.028 -0.190 1
1 713 . 7 1 1 A 88 88 VAL HA H 88 4.935 5.270 -0.335 1
1 721 . 7 1 1 A 88 88 VAL N N 88 125.698 127.217 -1.519 1
1 722 . 7 1 1 A 89 89 ARG H H 89 9.061 9.056 0.005 1
1 723 . 7 1 1 A 89 89 ARG HA H 89 5.200 4.904 0.296 1
1 731 . 7 1 1 A 89 89 ARG N N 89 126.677 126.194 0.483 1
1 733 . 7 1 1 A 90 90 LEU H H 90 8.047 8.565 -0.518 1
1 734 . 7 1 1 A 90 90 LEU HA H 90 4.164 4.552 -0.388 1
1 744 . 7 1 1 A 90 90 LEU N N 90 127.853 123.691 4.162 1
1 745 . 7 1 1 A 91 91 ASP H H 91 8.569 8.831 -0.262 1
1 746 . 7 1 1 A 91 91 ASP HA H 91 4.491 4.511 -0.020 1
1 749 . 7 1 1 A 91 91 ASP N N 91 128.030 126.315 1.715 1
1 750 . 7 1 1 A 92 92 ASP H H 92 7.672 7.143 0.529 1
1 751 . 7 1 1 A 92 92 ASP HA H 92 4.555 4.990 -0.435 1
1 754 . 7 1 1 A 92 92 ASP N N 92 115.964 117.197 -1.233 1
1 755 . 7 1 1 A 93 93 ILE H H 93 8.889 8.721 0.168 1
1 756 . 7 1 1 A 93 93 ILE HA H 93 4.751 5.019 -0.268 1
1 766 . 7 1 1 A 93 93 ILE N N 93 120.472 123.255 -2.783 1
1 767 . 7 1 1 A 94 94 GLN H H 94 8.851 9.307 -0.456 1
1 768 . 7 1 1 A 94 94 GLN HA H 94 4.422 5.022 -0.600 1
1 775 . 7 1 1 A 94 94 GLN N N 94 126.658 124.532 2.126 1
1 777 . 7 1 1 A 95 95 ALA H H 95 8.525 8.289 0.236 1
1 778 . 7 1 1 A 95 95 ALA HA H 95 4.210 4.511 -0.301 1
1 782 . 7 1 1 A 95 95 ALA N N 95 127.085 125.045 2.040 1
1 783 . 7 1 1 A 96 96 ALA H H 96 8.308 7.696 0.612 1
1 784 . 7 1 1 A 96 96 ALA HA H 96 4.036 3.966 0.070 1
1 788 . 7 1 1 A 96 96 ALA N N 96 122.992 117.870 5.122 1
1 789 . 7 1 1 A 97 97 HIS H H 97 8.197 8.727 -0.530 1
1 790 . 7 1 1 A 97 97 HIS HA H 97 4.463 4.467 -0.004 1
1 793 . 7 1 1 A 97 97 HIS N N 97 118.058 117.442 0.616 1
1 6 . 8 1 1 A 2 2 GLN H H 2 8.503 8.538 -0.035 1
1 7 . 8 1 1 A 2 2 GLN HA H 2 4.532 4.535 -0.003 1
1 14 . 8 1 1 A 2 2 GLN N N 2 125.165 125.030 0.135 1
1 16 . 8 1 1 A 3 3 PRO HA H 3 4.217 4.865 -0.648 1
1 23 . 8 1 1 A 4 4 GLN H H 4 8.492 8.402 0.090 1
1 24 . 8 1 1 A 4 4 GLN HA H 4 4.382 4.220 0.162 1
1 31 . 8 1 1 A 4 4 GLN N N 4 120.871 118.985 1.886 1
1 33 . 8 1 1 A 5 5 ARG H H 5 8.365 9.349 -0.984 1
1 34 . 8 1 1 A 5 5 ARG HA H 5 5.165 5.338 -0.173 1
1 42 . 8 1 1 A 5 5 ARG N N 5 121.503 120.542 0.961 1
1 44 . 8 1 1 A 6 6 THR H H 6 8.801 8.905 -0.104 1
1 45 . 8 1 1 A 6 6 THR HA H 6 4.751 4.876 -0.125 1
1 50 . 8 1 1 A 6 6 THR N N 6 116.539 117.854 -1.315 1
1 51 . 8 1 1 A 7 7 ARG H H 7 8.337 8.487 -0.150 1
1 52 . 8 1 1 A 7 7 ARG HA H 7 4.567 4.002 0.565 1
1 60 . 8 1 1 A 7 7 ARG N N 7 129.822 126.461 3.361 1
1 62 . 8 1 1 A 8 8 TYR H H 8 7.810 8.242 -0.432 1
1 63 . 8 1 1 A 8 8 TYR HA H 8 5.211 4.974 0.237 1
1 70 . 8 1 1 A 8 8 TYR N N 8 125.080 127.127 -2.047 1
1 71 . 8 1 1 A 9 9 SER H H 9 8.654 8.975 -0.321 1
1 72 . 8 1 1 A 9 9 SER HA H 9 5.361 5.679 -0.318 1
1 75 . 8 1 1 A 9 9 SER N N 9 114.459 118.967 -4.508 1
1 76 . 8 1 1 A 10 10 ILE H H 10 9.112 9.263 -0.151 1
1 77 . 8 1 1 A 10 10 ILE HA H 10 5.709 6.011 -0.302 1
1 87 . 8 1 1 A 10 10 ILE N N 10 116.723 120.105 -3.382 1
1 88 . 8 1 1 A 11 11 ILE H H 11 8.827 8.886 -0.059 1
1 89 . 8 1 1 A 11 11 ILE HA H 11 3.630 5.064 -1.434 1
1 99 . 8 1 1 A 11 11 ILE N N 11 122.843 121.543 1.300 1
1 100 . 8 1 1 A 12 12 GLN H H 12 8.047 8.864 -0.817 1
1 101 . 8 1 1 A 12 12 GLN HA H 12 5.529 5.135 0.394 1
1 108 . 8 1 1 A 12 12 GLN N N 12 127.853 124.204 3.649 1
1 110 . 8 1 1 A 13 13 THR H H 13 9.657 9.351 0.306 1
1 111 . 8 1 1 A 13 13 THR HA H 13 5.050 4.964 0.086 1
1 116 . 8 1 1 A 13 13 THR N N 13 117.094 117.084 0.010 1
1 117 . 8 1 1 A 14 14 LYS H H 14 9.035 8.690 0.345 1
1 118 . 8 1 1 A 14 14 LYS HA H 14 4.463 4.147 0.316 1
1 130 . 8 1 1 A 14 14 LYS N N 14 119.457 122.755 -3.298 1
1 131 . 8 1 1 A 15 15 THR H H 15 7.527 7.759 -0.232 1
1 132 . 8 1 1 A 15 15 THR HA H 15 4.785 5.001 -0.216 1
1 137 . 8 1 1 A 15 15 THR N N 15 104.566 111.144 -6.578 1
1 138 . 8 1 1 A 16 16 GLU H H 16 8.454 8.833 -0.379 1
1 139 . 8 1 1 A 16 16 GLU HA H 16 4.101 3.037 1.064 1
1 144 . 8 1 1 A 16 16 GLU N N 16 127.134 123.598 3.536 1
1 145 . 8 1 1 A 17 17 ASP H H 17 8.335 8.434 -0.099 1
1 146 . 8 1 1 A 17 17 ASP HA H 17 4.095 4.249 -0.154 1
1 149 . 8 1 1 A 17 17 ASP N N 17 117.583 119.443 -1.860 1
1 150 . 8 1 1 A 18 18 GLU H H 18 7.362 7.876 -0.514 1
1 151 . 8 1 1 A 18 18 GLU HA H 18 4.106 3.979 0.127 1
1 156 . 8 1 1 A 18 18 GLU N N 18 118.999 118.365 0.634 1
1 157 . 8 1 1 A 19 19 ALA H H 19 7.050 7.923 -0.873 1
1 158 . 8 1 1 A 19 19 ALA HA H 19 3.692 4.027 -0.335 1
1 162 . 8 1 1 A 19 19 ALA N N 19 123.146 122.301 0.845 1
1 163 . 8 1 1 A 20 20 LYS H H 20 8.335 8.240 0.095 1
1 164 . 8 1 1 A 20 20 LYS HA H 20 3.600 3.989 -0.389 1
1 173 . 8 1 1 A 20 20 LYS N N 20 117.583 116.526 1.057 1
1 174 . 8 1 1 A 21 21 ALA H H 21 7.522 7.731 -0.209 1
1 175 . 8 1 1 A 21 21 ALA HA H 21 4.091 4.044 0.047 1
1 179 . 8 1 1 A 21 21 ALA N N 21 121.260 122.089 -0.829 1
1 180 . 8 1 1 A 22 22 VAL H H 22 7.670 7.613 0.057 1
1 181 . 8 1 1 A 22 22 VAL HA H 22 3.484 3.605 -0.121 1
1 189 . 8 1 1 A 22 22 VAL N N 22 120.352 118.811 1.541 1
1 190 . 8 1 1 A 23 23 LEU H H 23 8.175 8.244 -0.069 1
1 191 . 8 1 1 A 23 23 LEU HA H 23 3.874 4.000 -0.126 1
1 201 . 8 1 1 A 23 23 LEU N N 23 121.296 118.412 2.884 1
1 202 . 8 1 1 A 24 24 ASP H H 24 7.997 8.361 -0.364 1
1 203 . 8 1 1 A 24 24 ASP HA H 24 4.290 4.264 0.026 1
1 206 . 8 1 1 A 24 24 ASP N N 24 118.344 119.167 -0.823 1
1 207 . 8 1 1 A 25 25 GLU H H 25 7.488 7.765 -0.277 1
1 208 . 8 1 1 A 25 25 GLU HA H 25 3.874 4.119 -0.245 1
1 213 . 8 1 1 A 25 25 GLU N N 25 118.292 119.163 -0.871 1
1 214 . 8 1 1 A 26 26 LEU H H 26 8.574 7.996 0.578 1
1 215 . 8 1 1 A 26 26 LEU HA H 26 3.784 4.205 -0.421 1
1 225 . 8 1 1 A 26 26 LEU N N 26 122.270 119.858 2.412 1
1 226 . 8 1 1 A 27 27 ASN H H 27 8.663 7.841 0.822 1
1 227 . 8 1 1 A 27 27 ASN HA H 27 4.520 4.481 0.039 1
1 232 . 8 1 1 A 27 27 ASN N N 27 120.178 118.376 1.802 1
1 234 . 8 1 1 A 28 28 LYS H H 28 7.339 7.278 0.061 1
1 235 . 8 1 1 A 28 28 LYS HA H 28 4.331 4.201 0.130 1
1 247 . 8 1 1 A 28 28 LYS N N 28 118.773 116.428 2.345 1
1 248 . 8 1 1 A 29 29 GLY H H 29 7.680 7.867 -0.187 1
1 249 . 8 1 1 A 29 29 GLY HA2 H 29 4.290 4.000 0.290 1
1 250 . 8 1 1 A 29 29 GLY HA3 H 29 3.703 4.016 -0.313 1
1 251 . 8 1 1 A 29 29 GLY N N 29 106.818 107.666 -0.848 1
1 252 . 8 1 1 A 30 30 GLY H H 30 8.241 8.226 0.015 1
1 253 . 8 1 1 A 30 30 GLY HA2 H 30 3.887 3.805 0.082 1
1 254 . 8 1 1 A 30 30 GLY HA3 H 30 3.128 3.805 -0.677 1
1 255 . 8 1 1 A 30 30 GLY N N 30 108.169 106.820 1.349 1
1 256 . 8 1 1 A 31 31 ASP H H 31 8.471 8.017 0.454 1
1 257 . 8 1 1 A 31 31 ASP HA H 31 4.555 5.044 -0.489 1
1 260 . 8 1 1 A 31 31 ASP N N 31 122.396 118.153 4.243 1
1 261 . 8 1 1 A 32 32 PHE H H 32 8.754 9.076 -0.322 1
1 262 . 8 1 1 A 32 32 PHE HA H 32 3.484 4.058 -0.574 1
1 270 . 8 1 1 A 32 32 PHE N N 32 129.042 126.180 2.862 1
1 271 . 8 1 1 A 33 33 ALA H H 33 8.099 8.409 -0.310 1
1 272 . 8 1 1 A 33 33 ALA HA H 33 4.451 3.859 0.592 1
1 276 . 8 1 1 A 33 33 ALA N N 33 118.535 121.187 -2.652 1
1 277 . 8 1 1 A 34 34 ALA H H 34 7.888 7.800 0.088 1
1 278 . 8 1 1 A 34 34 ALA HA H 34 3.945 4.021 -0.076 1
1 282 . 8 1 1 A 34 34 ALA N N 34 120.695 120.581 0.114 1
1 283 . 8 1 1 A 35 35 LEU H H 35 8.135 8.008 0.127 1
1 284 . 8 1 1 A 35 35 LEU HA H 35 3.874 3.924 -0.050 1
1 294 . 8 1 1 A 35 35 LEU N N 35 119.988 119.963 0.025 1
1 295 . 8 1 1 A 36 36 ALA H H 36 8.833 7.317 1.516 1
1 296 . 8 1 1 A 36 36 ALA HA H 36 3.623 3.855 -0.232 1
1 300 . 8 1 1 A 36 36 ALA N N 36 123.123 121.568 1.555 1
1 301 . 8 1 1 A 37 37 LYS H H 37 7.838 7.655 0.183 1
1 302 . 8 1 1 A 37 37 LYS HA H 37 3.874 4.048 -0.174 1
1 311 . 8 1 1 A 37 37 LYS N N 37 115.868 117.405 -1.537 1
1 312 . 8 1 1 A 38 38 GLU H H 38 7.398 7.700 -0.302 1
1 313 . 8 1 1 A 38 38 GLU HA H 38 4.103 4.185 -0.082 1
1 318 . 8 1 1 A 38 38 GLU N N 38 115.281 119.228 -3.947 1
1 319 . 8 1 1 A 39 39 LYS H H 39 8.495 7.874 0.621 1
1 320 . 8 1 1 A 39 39 LYS HA H 39 4.411 4.457 -0.046 1
1 329 . 8 1 1 A 39 39 LYS N N 39 113.533 116.431 -2.898 1
1 330 . 8 1 1 A 40 40 SER H H 40 8.188 7.635 0.553 1
1 331 . 8 1 1 A 40 40 SER HA H 40 4.198 4.538 -0.340 1
1 334 . 8 1 1 A 40 40 SER N N 40 111.913 116.491 -4.578 1
1 335 . 8 1 1 A 41 41 ALA H H 41 9.472 9.531 -0.059 1
1 336 . 8 1 1 A 41 41 ALA HA H 41 4.210 4.351 -0.141 1
1 340 . 8 1 1 A 41 41 ALA N N 41 128.478 126.301 2.177 1
1 341 . 8 1 1 A 42 42 ASP H H 42 7.328 8.095 -0.767 1
1 342 . 8 1 1 A 42 42 ASP HA H 42 4.659 4.412 0.247 1
1 345 . 8 1 1 A 42 42 ASP N N 42 118.084 118.781 -0.697 1
1 346 . 8 1 1 A 43 43 ILE H H 43 7.813 7.582 0.231 1
1 347 . 8 1 1 A 43 43 ILE HA H 43 3.715 3.855 -0.140 1
1 357 . 8 1 1 A 43 43 ILE N N 43 124.158 117.106 7.052 1
1 358 . 8 1 1 A 44 44 ILE H H 44 7.765 7.585 0.180 1
1 359 . 8 1 1 A 44 44 ILE HA H 44 3.680 3.673 0.007 1
1 369 . 8 1 1 A 44 44 ILE N N 44 118.644 121.355 -2.711 1
1 370 . 8 1 1 A 45 45 SER H H 45 7.131 8.447 -1.316 1
1 371 . 8 1 1 A 45 45 SER HA H 45 4.348 4.541 -0.193 1
1 374 . 8 1 1 A 45 45 SER N N 45 112.128 112.274 -0.146 1
1 375 . 8 1 1 A 46 46 ALA H H 46 8.750 8.274 0.476 1
1 376 . 8 1 1 A 46 46 ALA HA H 46 3.703 4.283 -0.580 1
1 380 . 8 1 1 A 46 46 ALA N N 46 130.693 125.128 5.565 1
1 381 . 8 1 1 A 47 47 ARG H H 47 7.335 8.123 -0.788 1
1 382 . 8 1 1 A 47 47 ARG HA H 47 4.034 4.156 -0.122 1
1 390 . 8 1 1 A 47 47 ARG N N 47 113.301 118.189 -4.888 1
1 392 . 8 1 1 A 48 48 ASN H H 48 7.393 8.335 -0.942 1
1 393 . 8 1 1 A 48 48 ASN HA H 48 5.073 4.814 0.259 1
1 398 . 8 1 1 A 48 48 ASN N N 48 116.377 115.231 1.146 1
1 400 . 8 1 1 A 49 49 GLY H H 49 8.146 8.586 -0.440 1
1 401 . 8 1 1 A 49 49 GLY HA2 H 49 4.023 3.863 0.160 1
1 402 . 8 1 1 A 49 49 GLY HA3 H 49 3.943 3.897 0.046 1
1 403 . 8 1 1 A 49 49 GLY N N 49 109.272 106.829 2.443 1
1 404 . 8 1 1 A 50 50 GLY H H 50 8.422 8.675 -0.253 1
1 405 . 8 1 1 A 50 50 GLY HA2 H 50 4.440 3.919 0.521 1
1 406 . 8 1 1 A 50 50 GLY HA3 H 50 3.450 4.012 -0.562 1
1 407 . 8 1 1 A 50 50 GLY N N 50 106.705 107.872 -1.167 1
1 408 . 8 1 1 A 51 51 ASP H H 51 6.672 7.977 -1.305 1
1 409 . 8 1 1 A 51 51 ASP HA H 51 4.601 4.613 -0.012 1
1 412 . 8 1 1 A 51 51 ASP N N 51 118.848 120.633 -1.785 1
1 413 . 8 1 1 A 52 52 MET H H 52 9.118 9.067 0.051 1
1 414 . 8 1 1 A 52 52 MET HA H 52 4.302 4.499 -0.197 1
1 419 . 8 1 1 A 52 52 MET N N 52 126.094 123.994 2.100 1
1 420 . 8 1 1 A 53 53 GLY H H 53 8.274 7.322 0.952 1
1 421 . 8 1 1 A 53 53 GLY HA2 H 53 4.049 4.005 0.044 1
1 422 . 8 1 1 A 53 53 GLY HA3 H 53 3.315 4.080 -0.765 1
1 423 . 8 1 1 A 53 53 GLY N N 53 107.535 104.774 2.761 1
1 424 . 8 1 1 A 54 54 TRP H H 54 8.154 8.483 -0.329 1
1 425 . 8 1 1 A 54 54 TRP HA H 54 4.233 4.934 -0.701 1
1 434 . 8 1 1 A 54 54 TRP N N 54 117.028 122.091 -5.063 1
1 436 . 8 1 1 A 55 55 LEU H H 55 8.910 8.669 0.241 1
1 437 . 8 1 1 A 55 55 LEU HA H 55 4.753 5.331 -0.578 1
1 447 . 8 1 1 A 55 55 LEU N N 55 125.087 120.835 4.252 1
1 448 . 8 1 1 A 56 56 GLU H H 56 8.213 8.489 -0.276 1
1 449 . 8 1 1 A 56 56 GLU HA H 56 4.601 4.570 0.031 1
1 454 . 8 1 1 A 56 56 GLU N N 56 120.058 119.214 0.844 1
1 455 . 8 1 1 A 57 57 ASP H H 57 8.706 9.242 -0.536 1
1 456 . 8 1 1 A 57 57 ASP HA H 57 4.256 4.342 -0.086 1
1 459 . 8 1 1 A 57 57 ASP N N 57 123.804 124.013 -0.209 1
1 460 . 8 1 1 A 58 58 ALA H H 58 8.566 8.775 -0.209 1
1 461 . 8 1 1 A 58 58 ALA HA H 58 4.129 4.045 0.084 1
1 465 . 8 1 1 A 58 58 ALA N N 58 117.470 122.239 -4.769 1
1 466 . 8 1 1 A 59 59 THR H H 59 7.873 7.960 -0.087 1
1 467 . 8 1 1 A 59 59 THR HA H 59 4.382 4.595 -0.213 1
1 472 . 8 1 1 A 59 59 THR N N 59 106.456 109.891 -3.435 1
1 473 . 8 1 1 A 60 60 ILE H H 60 7.294 7.612 -0.318 1
1 474 . 8 1 1 A 60 60 ILE HA H 60 4.095 4.289 -0.194 1
1 484 . 8 1 1 A 60 60 ILE N N 60 124.761 123.763 0.998 1
1 485 . 8 1 1 A 61 61 PRO HA H 61 4.365 4.580 -0.215 1
1 492 . 8 1 1 A 62 62 ASP H H 62 8.969 8.650 0.319 1
1 493 . 8 1 1 A 62 62 ASP HA H 62 4.072 4.289 -0.217 1
1 496 . 8 1 1 A 62 62 ASP N N 62 125.215 121.947 3.268 1
1 497 . 8 1 1 A 63 63 GLU H H 63 9.542 8.402 1.140 1
1 498 . 8 1 1 A 63 63 GLU HA H 63 3.841 4.079 -0.238 1
1 503 . 8 1 1 A 63 63 GLU N N 63 116.092 119.737 -3.645 1
1 504 . 8 1 1 A 64 64 LEU H H 64 6.892 7.753 -0.861 1
1 505 . 8 1 1 A 64 64 LEU HA H 64 3.829 4.022 -0.193 1
1 515 . 8 1 1 A 64 64 LEU N N 64 116.203 120.424 -4.221 1
1 516 . 8 1 1 A 65 65 LYS H H 65 7.635 7.871 -0.236 1
1 517 . 8 1 1 A 65 65 LYS HA H 65 3.829 3.975 -0.146 1
1 526 . 8 1 1 A 65 65 LYS N N 65 120.789 120.223 0.566 1
1 527 . 8 1 1 A 66 66 ASN H H 66 8.270 8.269 0.001 1
1 528 . 8 1 1 A 66 66 ASN HA H 66 4.502 4.588 -0.086 1
1 533 . 8 1 1 A 66 66 ASN N N 66 114.881 117.279 -2.398 1
1 535 . 8 1 1 A 67 67 ALA H H 67 7.136 7.559 -0.423 1
1 536 . 8 1 1 A 67 67 ALA HA H 67 4.095 4.208 -0.113 1
1 540 . 8 1 1 A 67 67 ALA N N 67 120.993 119.415 1.578 1
1 541 . 8 1 1 A 68 68 GLY H H 68 7.654 7.709 -0.055 1
1 542 . 8 1 1 A 68 68 GLY HA2 H 68 3.715 3.935 -0.220 1
1 543 . 8 1 1 A 68 68 GLY HA3 H 68 3.714 3.942 -0.228 1
1 544 . 8 1 1 A 68 68 GLY N N 68 104.575 107.754 -3.179 1
1 545 . 8 1 1 A 69 69 LEU H H 69 8.208 8.074 0.134 1
1 546 . 8 1 1 A 69 69 LEU HA H 69 4.002 4.467 -0.465 1
1 556 . 8 1 1 A 69 69 LEU N N 69 119.478 122.670 -3.192 1
1 557 . 8 1 1 A 70 70 LYS H H 70 8.525 8.552 -0.027 1
1 558 . 8 1 1 A 70 70 LYS HA H 70 4.342 4.454 -0.112 1
1 567 . 8 1 1 A 70 70 LYS N N 70 120.087 127.013 -6.926 1
1 568 . 8 1 1 A 71 71 GLU H H 71 7.727 7.903 -0.176 1
1 569 . 8 1 1 A 71 71 GLU HA H 71 4.532 4.692 -0.160 1
1 574 . 8 1 1 A 71 71 GLU N N 71 118.339 117.770 0.569 1
1 575 . 8 1 1 A 72 72 LYS H H 72 8.574 8.645 -0.071 1
1 576 . 8 1 1 A 72 72 LYS HA H 72 3.519 3.883 -0.364 1
1 585 . 8 1 1 A 72 72 LYS N N 72 122.270 123.997 -1.727 1
1 586 . 8 1 1 A 73 73 GLY H H 73 9.551 8.883 0.668 1
1 587 . 8 1 1 A 73 73 GLY HA2 H 73 4.148 3.976 0.172 1
1 588 . 8 1 1 A 73 73 GLY HA3 H 73 3.349 3.986 -0.637 1
1 589 . 8 1 1 A 73 73 GLY N N 73 114.854 114.956 -0.102 1
1 590 . 8 1 1 A 74 74 GLN H H 74 7.926 7.421 0.505 1
1 591 . 8 1 1 A 74 74 GLN HA H 74 3.979 4.640 -0.661 1
1 598 . 8 1 1 A 74 74 GLN N N 74 122.200 121.258 0.942 1
1 600 . 8 1 1 A 75 75 LEU H H 75 8.130 8.524 -0.394 1
1 601 . 8 1 1 A 75 75 LEU HA H 75 5.187 4.785 0.402 1
1 611 . 8 1 1 A 75 75 LEU N N 75 124.036 122.418 1.618 1
1 612 . 8 1 1 A 76 76 SER H H 76 9.245 8.775 0.470 1
1 613 . 8 1 1 A 76 76 SER HA H 76 4.382 4.086 0.296 1
1 616 . 8 1 1 A 76 76 SER N N 76 119.351 115.235 4.116 1
1 617 . 8 1 1 A 77 77 GLY H H 77 7.656 7.593 0.063 1
1 618 . 8 1 1 A 77 77 GLY HA2 H 77 4.371 4.114 0.257 1
1 619 . 8 1 1 A 77 77 GLY HA3 H 77 3.611 4.128 -0.517 1
1 620 . 8 1 1 A 77 77 GLY N N 77 102.417 107.843 -5.426 1
1 621 . 8 1 1 A 78 78 VAL H H 78 8.421 9.193 -0.772 1
1 622 . 8 1 1 A 78 78 VAL HA H 78 3.853 4.552 -0.699 1
1 630 . 8 1 1 A 78 78 VAL N N 78 118.736 126.373 -7.637 1
1 631 . 8 1 1 A 79 79 ILE H H 79 9.387 9.627 -0.240 1
1 632 . 8 1 1 A 79 79 ILE HA H 79 4.210 4.909 -0.699 1
1 642 . 8 1 1 A 79 79 ILE N N 79 132.591 129.021 3.570 1
1 643 . 8 1 1 A 80 80 LYS H H 80 8.628 8.893 -0.265 1
1 644 . 8 1 1 A 80 80 LYS HA H 80 3.922 4.646 -0.724 1
1 653 . 8 1 1 A 80 80 LYS N N 80 128.368 129.458 -1.090 1
1 654 . 8 1 1 A 81 81 SER H H 81 7.919 8.657 -0.738 1
1 655 . 8 1 1 A 81 81 SER HA H 81 3.703 4.770 -1.067 1
1 658 . 8 1 1 A 81 81 SER N N 81 122.449 124.207 -1.758 1
1 659 . 8 1 1 A 82 82 SER H H 82 8.566 9.009 -0.443 1
1 660 . 8 1 1 A 82 82 SER HA H 82 4.019 4.065 -0.046 1
1 663 . 8 1 1 A 82 82 SER N N 82 117.460 118.825 -1.365 1
1 664 . 8 1 1 A 83 83 VAL H H 83 7.232 7.639 -0.407 1
1 665 . 8 1 1 A 83 83 VAL HA H 83 4.182 4.093 0.089 1
1 673 . 8 1 1 A 83 83 VAL N N 83 113.299 118.691 -5.392 1
1 674 . 8 1 1 A 84 84 GLY H H 84 7.160 7.338 -0.178 1
1 675 . 8 1 1 A 84 84 GLY HA2 H 84 4.194 4.013 0.181 1
1 676 . 8 1 1 A 84 84 GLY HA3 H 84 3.509 4.114 -0.605 1
1 677 . 8 1 1 A 84 84 GLY N N 84 109.922 109.208 0.714 1
1 678 . 8 1 1 A 85 85 PHE H H 85 8.583 8.248 0.335 1
1 679 . 8 1 1 A 85 85 PHE HA H 85 4.935 5.443 -0.508 1
1 687 . 8 1 1 A 85 85 PHE N N 85 122.045 120.337 1.708 1
1 688 . 8 1 1 A 86 86 LEU H H 86 9.525 9.517 0.008 1
1 689 . 8 1 1 A 86 86 LEU HA H 86 5.476 5.579 -0.103 1
1 699 . 8 1 1 A 86 86 LEU N N 86 121.224 123.297 -2.073 1
1 700 . 8 1 1 A 87 87 ILE H H 87 8.479 9.544 -1.065 1
1 701 . 8 1 1 A 87 87 ILE HA H 87 4.002 4.851 -0.849 1
1 711 . 8 1 1 A 87 87 ILE N N 87 119.241 126.857 -7.616 1
1 712 . 8 1 1 A 88 88 VAL H H 88 8.838 9.016 -0.178 1
1 713 . 8 1 1 A 88 88 VAL HA H 88 4.935 5.122 -0.187 1
1 721 . 8 1 1 A 88 88 VAL N N 88 125.698 128.612 -2.914 1
1 722 . 8 1 1 A 89 89 ARG H H 89 9.061 9.091 -0.030 1
1 723 . 8 1 1 A 89 89 ARG HA H 89 5.200 4.687 0.513 1
1 731 . 8 1 1 A 89 89 ARG N N 89 126.677 127.928 -1.251 1
1 733 . 8 1 1 A 90 90 LEU H H 90 8.047 8.419 -0.372 1
1 734 . 8 1 1 A 90 90 LEU HA H 90 4.164 4.292 -0.128 1
1 744 . 8 1 1 A 90 90 LEU N N 90 127.853 128.543 -0.690 1
1 745 . 8 1 1 A 91 91 ASP H H 91 8.569 8.944 -0.375 1
1 746 . 8 1 1 A 91 91 ASP HA H 91 4.491 4.535 -0.044 1
1 749 . 8 1 1 A 91 91 ASP N N 91 128.030 126.948 1.082 1
1 750 . 8 1 1 A 92 92 ASP H H 92 7.672 7.584 0.088 1
1 751 . 8 1 1 A 92 92 ASP HA H 92 4.555 4.968 -0.413 1
1 754 . 8 1 1 A 92 92 ASP N N 92 115.964 116.990 -1.026 1
1 755 . 8 1 1 A 93 93 ILE H H 93 8.889 8.802 0.087 1
1 756 . 8 1 1 A 93 93 ILE HA H 93 4.751 5.258 -0.507 1
1 766 . 8 1 1 A 93 93 ILE N N 93 120.472 118.911 1.561 1
1 767 . 8 1 1 A 94 94 GLN H H 94 8.851 9.392 -0.541 1
1 768 . 8 1 1 A 94 94 GLN HA H 94 4.422 4.711 -0.289 1
1 775 . 8 1 1 A 94 94 GLN N N 94 126.658 123.690 2.968 1
1 777 . 8 1 1 A 95 95 ALA H H 95 8.525 8.708 -0.183 1
1 778 . 8 1 1 A 95 95 ALA HA H 95 4.210 4.025 0.185 1
1 782 . 8 1 1 A 95 95 ALA N N 95 127.085 123.149 3.936 1
1 783 . 8 1 1 A 96 96 ALA H H 96 8.308 7.884 0.424 1
1 784 . 8 1 1 A 96 96 ALA HA H 96 4.036 4.181 -0.145 1
1 788 . 8 1 1 A 96 96 ALA N N 96 122.992 119.763 3.229 1
1 789 . 8 1 1 A 97 97 HIS H H 97 8.197 8.796 -0.599 1
1 790 . 8 1 1 A 97 97 HIS HA H 97 4.463 4.814 -0.351 1
1 793 . 8 1 1 A 97 97 HIS N N 97 118.058 122.189 -4.131 1
1 6 . 9 1 1 A 2 2 GLN H H 2 8.503 8.865 -0.362 1
1 7 . 9 1 1 A 2 2 GLN HA H 2 4.532 4.749 -0.217 1
1 14 . 9 1 1 A 2 2 GLN N N 2 125.165 127.737 -2.572 1
1 16 . 9 1 1 A 3 3 PRO HA H 3 4.217 4.855 -0.638 1
1 23 . 9 1 1 A 4 4 GLN H H 4 8.492 8.376 0.116 1
1 24 . 9 1 1 A 4 4 GLN HA H 4 4.382 4.286 0.096 1
1 31 . 9 1 1 A 4 4 GLN N N 4 120.871 118.131 2.740 1
1 33 . 9 1 1 A 5 5 ARG H H 5 8.365 8.767 -0.402 1
1 34 . 9 1 1 A 5 5 ARG HA H 5 5.165 5.273 -0.108 1
1 42 . 9 1 1 A 5 5 ARG N N 5 121.503 122.627 -1.124 1
1 44 . 9 1 1 A 6 6 THR H H 6 8.801 9.617 -0.816 1
1 45 . 9 1 1 A 6 6 THR HA H 6 4.751 4.930 -0.179 1
1 50 . 9 1 1 A 6 6 THR N N 6 116.539 117.661 -1.122 1
1 51 . 9 1 1 A 7 7 ARG H H 7 8.337 8.747 -0.410 1
1 52 . 9 1 1 A 7 7 ARG HA H 7 4.567 4.154 0.413 1
1 60 . 9 1 1 A 7 7 ARG N N 7 129.822 126.674 3.148 1
1 62 . 9 1 1 A 8 8 TYR H H 8 7.810 8.861 -1.051 1
1 63 . 9 1 1 A 8 8 TYR HA H 8 5.211 4.949 0.262 1
1 70 . 9 1 1 A 8 8 TYR N N 8 125.080 127.174 -2.094 1
1 71 . 9 1 1 A 9 9 SER H H 9 8.654 9.073 -0.419 1
1 72 . 9 1 1 A 9 9 SER HA H 9 5.361 5.559 -0.198 1
1 75 . 9 1 1 A 9 9 SER N N 9 114.459 119.788 -5.329 1
1 76 . 9 1 1 A 10 10 ILE H H 10 9.112 9.300 -0.188 1
1 77 . 9 1 1 A 10 10 ILE HA H 10 5.709 5.763 -0.054 1
1 87 . 9 1 1 A 10 10 ILE N N 10 116.723 120.346 -3.623 1
1 88 . 9 1 1 A 11 11 ILE H H 11 8.827 8.888 -0.061 1
1 89 . 9 1 1 A 11 11 ILE HA H 11 3.630 5.055 -1.425 1
1 99 . 9 1 1 A 11 11 ILE N N 11 122.843 120.880 1.963 1
1 100 . 9 1 1 A 12 12 GLN H H 12 8.047 8.558 -0.511 1
1 101 . 9 1 1 A 12 12 GLN HA H 12 5.529 4.877 0.652 1
1 108 . 9 1 1 A 12 12 GLN N N 12 127.853 124.104 3.749 1
1 110 . 9 1 1 A 13 13 THR H H 13 9.657 9.370 0.287 1
1 111 . 9 1 1 A 13 13 THR HA H 13 5.050 4.944 0.106 1
1 116 . 9 1 1 A 13 13 THR N N 13 117.094 117.528 -0.434 1
1 117 . 9 1 1 A 14 14 LYS H H 14 9.035 8.733 0.302 1
1 118 . 9 1 1 A 14 14 LYS HA H 14 4.463 4.213 0.250 1
1 130 . 9 1 1 A 14 14 LYS N N 14 119.457 122.550 -3.093 1
1 131 . 9 1 1 A 15 15 THR H H 15 7.527 7.780 -0.253 1
1 132 . 9 1 1 A 15 15 THR HA H 15 4.785 4.791 -0.006 1
1 137 . 9 1 1 A 15 15 THR N N 15 104.566 110.205 -5.639 1
1 138 . 9 1 1 A 16 16 GLU H H 16 8.454 8.733 -0.279 1
1 139 . 9 1 1 A 16 16 GLU HA H 16 4.101 3.062 1.039 1
1 144 . 9 1 1 A 16 16 GLU N N 16 127.134 121.813 5.321 1
1 145 . 9 1 1 A 17 17 ASP H H 17 8.335 8.292 0.043 1
1 146 . 9 1 1 A 17 17 ASP HA H 17 4.095 4.270 -0.175 1
1 149 . 9 1 1 A 17 17 ASP N N 17 117.583 119.927 -2.344 1
1 150 . 9 1 1 A 18 18 GLU H H 18 7.362 7.825 -0.463 1
1 151 . 9 1 1 A 18 18 GLU HA H 18 4.106 3.995 0.111 1
1 156 . 9 1 1 A 18 18 GLU N N 18 118.999 118.156 0.843 1
1 157 . 9 1 1 A 19 19 ALA H H 19 7.050 8.052 -1.002 1
1 158 . 9 1 1 A 19 19 ALA HA H 19 3.692 4.066 -0.374 1
1 162 . 9 1 1 A 19 19 ALA N N 19 123.146 122.725 0.421 1
1 163 . 9 1 1 A 20 20 LYS H H 20 8.335 8.108 0.227 1
1 164 . 9 1 1 A 20 20 LYS HA H 20 3.600 4.036 -0.436 1
1 173 . 9 1 1 A 20 20 LYS N N 20 117.583 116.858 0.725 1
1 174 . 9 1 1 A 21 21 ALA H H 21 7.522 7.492 0.030 1
1 175 . 9 1 1 A 21 21 ALA HA H 21 4.091 4.017 0.074 1
1 179 . 9 1 1 A 21 21 ALA N N 21 121.260 122.474 -1.214 1
1 180 . 9 1 1 A 22 22 VAL H H 22 7.670 8.145 -0.475 1
1 181 . 9 1 1 A 22 22 VAL HA H 22 3.484 3.530 -0.046 1
1 189 . 9 1 1 A 22 22 VAL N N 22 120.352 118.257 2.095 1
1 190 . 9 1 1 A 23 23 LEU H H 23 8.175 8.510 -0.335 1
1 191 . 9 1 1 A 23 23 LEU HA H 23 3.874 4.006 -0.132 1
1 201 . 9 1 1 A 23 23 LEU N N 23 121.296 118.440 2.856 1
1 202 . 9 1 1 A 24 24 ASP H H 24 7.997 8.080 -0.083 1
1 203 . 9 1 1 A 24 24 ASP HA H 24 4.290 4.235 0.055 1
1 206 . 9 1 1 A 24 24 ASP N N 24 118.344 119.172 -0.828 1
1 207 . 9 1 1 A 25 25 GLU H H 25 7.488 7.719 -0.231 1
1 208 . 9 1 1 A 25 25 GLU HA H 25 3.874 4.109 -0.235 1
1 213 . 9 1 1 A 25 25 GLU N N 25 118.292 119.475 -1.183 1
1 214 . 9 1 1 A 26 26 LEU H H 26 8.574 7.872 0.702 1
1 215 . 9 1 1 A 26 26 LEU HA H 26 3.784 4.164 -0.380 1
1 225 . 9 1 1 A 26 26 LEU N N 26 122.270 119.722 2.548 1
1 226 . 9 1 1 A 27 27 ASN H H 27 8.663 8.159 0.504 1
1 227 . 9 1 1 A 27 27 ASN HA H 27 4.520 4.503 0.017 1
1 232 . 9 1 1 A 27 27 ASN N N 27 120.178 117.713 2.465 1
1 234 . 9 1 1 A 28 28 LYS H H 28 7.339 7.288 0.051 1
1 235 . 9 1 1 A 28 28 LYS HA H 28 4.331 4.215 0.116 1
1 247 . 9 1 1 A 28 28 LYS N N 28 118.773 117.128 1.645 1
1 248 . 9 1 1 A 29 29 GLY H H 29 7.680 7.884 -0.204 1
1 249 . 9 1 1 A 29 29 GLY HA2 H 29 4.290 4.003 0.287 1
1 250 . 9 1 1 A 29 29 GLY HA3 H 29 3.703 4.019 -0.316 1
1 251 . 9 1 1 A 29 29 GLY N N 29 106.818 107.934 -1.116 1
1 252 . 9 1 1 A 30 30 GLY H H 30 8.241 8.227 0.014 1
1 253 . 9 1 1 A 30 30 GLY HA2 H 30 3.887 3.802 0.085 1
1 254 . 9 1 1 A 30 30 GLY HA3 H 30 3.128 3.803 -0.675 1
1 255 . 9 1 1 A 30 30 GLY N N 30 108.169 107.177 0.992 1
1 256 . 9 1 1 A 31 31 ASP H H 31 8.471 8.058 0.413 1
1 257 . 9 1 1 A 31 31 ASP HA H 31 4.555 4.991 -0.436 1
1 260 . 9 1 1 A 31 31 ASP N N 31 122.396 118.312 4.084 1
1 261 . 9 1 1 A 32 32 PHE H H 32 8.754 8.993 -0.239 1
1 262 . 9 1 1 A 32 32 PHE HA H 32 3.484 4.078 -0.594 1
1 270 . 9 1 1 A 32 32 PHE N N 32 129.042 126.163 2.879 1
1 271 . 9 1 1 A 33 33 ALA H H 33 8.099 8.507 -0.408 1
1 272 . 9 1 1 A 33 33 ALA HA H 33 4.451 4.047 0.404 1
1 276 . 9 1 1 A 33 33 ALA N N 33 118.535 121.182 -2.647 1
1 277 . 9 1 1 A 34 34 ALA H H 34 7.888 8.206 -0.318 1
1 278 . 9 1 1 A 34 34 ALA HA H 34 3.945 4.084 -0.139 1
1 282 . 9 1 1 A 34 34 ALA N N 34 120.695 120.628 0.067 1
1 283 . 9 1 1 A 35 35 LEU H H 35 8.135 8.018 0.117 1
1 284 . 9 1 1 A 35 35 LEU HA H 35 3.874 3.782 0.092 1
1 294 . 9 1 1 A 35 35 LEU N N 35 119.988 119.220 0.768 1
1 295 . 9 1 1 A 36 36 ALA H H 36 8.833 7.852 0.981 1
1 296 . 9 1 1 A 36 36 ALA HA H 36 3.623 3.900 -0.277 1
1 300 . 9 1 1 A 36 36 ALA N N 36 123.123 121.892 1.231 1
1 301 . 9 1 1 A 37 37 LYS H H 37 7.838 7.856 -0.018 1
1 302 . 9 1 1 A 37 37 LYS HA H 37 3.874 4.016 -0.142 1
1 311 . 9 1 1 A 37 37 LYS N N 37 115.868 117.509 -1.641 1
1 312 . 9 1 1 A 38 38 GLU H H 38 7.398 7.766 -0.368 1
1 313 . 9 1 1 A 38 38 GLU HA H 38 4.103 4.179 -0.076 1
1 318 . 9 1 1 A 38 38 GLU N N 38 115.281 118.197 -2.916 1
1 319 . 9 1 1 A 39 39 LYS H H 39 8.495 7.936 0.559 1
1 320 . 9 1 1 A 39 39 LYS HA H 39 4.411 4.434 -0.023 1
1 329 . 9 1 1 A 39 39 LYS N N 39 113.533 117.109 -3.576 1
1 330 . 9 1 1 A 40 40 SER H H 40 8.188 7.509 0.679 1
1 331 . 9 1 1 A 40 40 SER HA H 40 4.198 4.554 -0.356 1
1 334 . 9 1 1 A 40 40 SER N N 40 111.913 115.987 -4.074 1
1 335 . 9 1 1 A 41 41 ALA H H 41 9.472 9.127 0.345 1
1 336 . 9 1 1 A 41 41 ALA HA H 41 4.210 4.247 -0.037 1
1 340 . 9 1 1 A 41 41 ALA N N 41 128.478 129.464 -0.986 1
1 341 . 9 1 1 A 42 42 ASP H H 42 7.328 8.180 -0.852 1
1 342 . 9 1 1 A 42 42 ASP HA H 42 4.659 4.432 0.227 1
1 345 . 9 1 1 A 42 42 ASP N N 42 118.084 119.225 -1.141 1
1 346 . 9 1 1 A 43 43 ILE H H 43 7.813 7.631 0.182 1
1 347 . 9 1 1 A 43 43 ILE HA H 43 3.715 3.854 -0.139 1
1 357 . 9 1 1 A 43 43 ILE N N 43 124.158 117.107 7.051 1
1 358 . 9 1 1 A 44 44 ILE H H 44 7.765 7.860 -0.095 1
1 359 . 9 1 1 A 44 44 ILE HA H 44 3.680 3.651 0.029 1
1 369 . 9 1 1 A 44 44 ILE N N 44 118.644 121.245 -2.601 1
1 370 . 9 1 1 A 45 45 SER H H 45 7.131 8.713 -1.582 1
1 371 . 9 1 1 A 45 45 SER HA H 45 4.348 4.365 -0.017 1
1 374 . 9 1 1 A 45 45 SER N N 45 112.128 116.578 -4.450 1
1 375 . 9 1 1 A 46 46 ALA H H 46 8.750 8.195 0.555 1
1 376 . 9 1 1 A 46 46 ALA HA H 46 3.703 4.002 -0.299 1
1 380 . 9 1 1 A 46 46 ALA N N 46 130.693 123.208 7.485 1
1 381 . 9 1 1 A 47 47 ARG H H 47 7.335 7.797 -0.462 1
1 382 . 9 1 1 A 47 47 ARG HA H 47 4.034 4.149 -0.115 1
1 390 . 9 1 1 A 47 47 ARG N N 47 113.301 118.050 -4.749 1
1 392 . 9 1 1 A 48 48 ASN H H 48 7.393 8.485 -1.092 1
1 393 . 9 1 1 A 48 48 ASN HA H 48 5.073 4.825 0.248 1
1 398 . 9 1 1 A 48 48 ASN N N 48 116.377 115.495 0.882 1
1 400 . 9 1 1 A 49 49 GLY H H 49 8.146 8.650 -0.504 1
1 401 . 9 1 1 A 49 49 GLY HA2 H 49 4.023 3.910 0.113 1
1 402 . 9 1 1 A 49 49 GLY HA3 H 49 3.943 3.920 0.023 1
1 403 . 9 1 1 A 49 49 GLY N N 49 109.272 107.146 2.126 1
1 404 . 9 1 1 A 50 50 GLY H H 50 8.422 8.703 -0.281 1
1 405 . 9 1 1 A 50 50 GLY HA2 H 50 4.440 3.977 0.463 1
1 406 . 9 1 1 A 50 50 GLY HA3 H 50 3.450 4.090 -0.640 1
1 407 . 9 1 1 A 50 50 GLY N N 50 106.705 107.875 -1.170 1
1 408 . 9 1 1 A 51 51 ASP H H 51 6.672 8.078 -1.406 1
1 409 . 9 1 1 A 51 51 ASP HA H 51 4.601 4.573 0.028 1
1 412 . 9 1 1 A 51 51 ASP N N 51 118.848 120.545 -1.697 1
1 413 . 9 1 1 A 52 52 MET H H 52 9.118 8.649 0.469 1
1 414 . 9 1 1 A 52 52 MET HA H 52 4.302 4.556 -0.254 1
1 419 . 9 1 1 A 52 52 MET N N 52 126.094 125.242 0.852 1
1 420 . 9 1 1 A 53 53 GLY H H 53 8.274 7.067 1.207 1
1 421 . 9 1 1 A 53 53 GLY HA2 H 53 4.049 4.127 -0.078 1
1 422 . 9 1 1 A 53 53 GLY HA3 H 53 3.315 4.155 -0.840 1
1 423 . 9 1 1 A 53 53 GLY N N 53 107.535 105.266 2.269 1
1 424 . 9 1 1 A 54 54 TRP H H 54 8.154 8.549 -0.395 1
1 425 . 9 1 1 A 54 54 TRP HA H 54 4.233 5.288 -1.055 1
1 434 . 9 1 1 A 54 54 TRP N N 54 117.028 121.619 -4.591 1
1 436 . 9 1 1 A 55 55 LEU H H 55 8.910 9.271 -0.361 1
1 437 . 9 1 1 A 55 55 LEU HA H 55 4.753 5.200 -0.447 1
1 447 . 9 1 1 A 55 55 LEU N N 55 125.087 119.698 5.389 1
1 448 . 9 1 1 A 56 56 GLU H H 56 8.213 8.419 -0.206 1
1 449 . 9 1 1 A 56 56 GLU HA H 56 4.601 4.675 -0.074 1
1 454 . 9 1 1 A 56 56 GLU N N 56 120.058 119.091 0.967 1
1 455 . 9 1 1 A 57 57 ASP H H 57 8.706 9.426 -0.720 1
1 456 . 9 1 1 A 57 57 ASP HA H 57 4.256 4.446 -0.190 1
1 459 . 9 1 1 A 57 57 ASP N N 57 123.804 124.468 -0.664 1
1 460 . 9 1 1 A 58 58 ALA H H 58 8.566 8.758 -0.192 1
1 461 . 9 1 1 A 58 58 ALA HA H 58 4.129 4.034 0.095 1
1 465 . 9 1 1 A 58 58 ALA N N 58 117.470 122.746 -5.276 1
1 466 . 9 1 1 A 59 59 THR H H 59 7.873 7.898 -0.025 1
1 467 . 9 1 1 A 59 59 THR HA H 59 4.382 4.484 -0.102 1
1 472 . 9 1 1 A 59 59 THR N N 59 106.456 107.032 -0.576 1
1 473 . 9 1 1 A 60 60 ILE H H 60 7.294 7.474 -0.180 1
1 474 . 9 1 1 A 60 60 ILE HA H 60 4.095 4.194 -0.099 1
1 484 . 9 1 1 A 60 60 ILE N N 60 124.761 126.373 -1.612 1
1 485 . 9 1 1 A 61 61 PRO HA H 61 4.365 4.526 -0.161 1
1 492 . 9 1 1 A 62 62 ASP H H 62 8.969 8.719 0.250 1
1 493 . 9 1 1 A 62 62 ASP HA H 62 4.072 4.277 -0.205 1
1 496 . 9 1 1 A 62 62 ASP N N 62 125.215 122.786 2.429 1
1 497 . 9 1 1 A 63 63 GLU H H 63 9.542 8.399 1.143 1
1 498 . 9 1 1 A 63 63 GLU HA H 63 3.841 4.062 -0.221 1
1 503 . 9 1 1 A 63 63 GLU N N 63 116.092 120.125 -4.033 1
1 504 . 9 1 1 A 64 64 LEU H H 64 6.892 7.563 -0.671 1
1 505 . 9 1 1 A 64 64 LEU HA H 64 3.829 4.028 -0.199 1
1 515 . 9 1 1 A 64 64 LEU N N 64 116.203 120.740 -4.537 1
1 516 . 9 1 1 A 65 65 LYS H H 65 7.635 7.804 -0.169 1
1 517 . 9 1 1 A 65 65 LYS HA H 65 3.829 3.973 -0.144 1
1 526 . 9 1 1 A 65 65 LYS N N 65 120.789 119.856 0.933 1
1 527 . 9 1 1 A 66 66 ASN H H 66 8.270 7.828 0.442 1
1 528 . 9 1 1 A 66 66 ASN HA H 66 4.502 4.586 -0.084 1
1 533 . 9 1 1 A 66 66 ASN N N 66 114.881 116.572 -1.691 1
1 535 . 9 1 1 A 67 67 ALA H H 67 7.136 7.487 -0.351 1
1 536 . 9 1 1 A 67 67 ALA HA H 67 4.095 4.258 -0.163 1
1 540 . 9 1 1 A 67 67 ALA N N 67 120.993 119.558 1.435 1
1 541 . 9 1 1 A 68 68 GLY H H 68 7.654 8.111 -0.457 1
1 542 . 9 1 1 A 68 68 GLY HA2 H 68 3.715 3.974 -0.259 1
1 543 . 9 1 1 A 68 68 GLY HA3 H 68 3.714 3.981 -0.267 1
1 544 . 9 1 1 A 68 68 GLY N N 68 104.575 107.825 -3.250 1
1 545 . 9 1 1 A 69 69 LEU H H 69 8.208 8.077 0.131 1
1 546 . 9 1 1 A 69 69 LEU HA H 69 4.002 4.510 -0.508 1
1 556 . 9 1 1 A 69 69 LEU N N 69 119.478 122.554 -3.076 1
1 557 . 9 1 1 A 70 70 LYS H H 70 8.525 8.741 -0.216 1
1 558 . 9 1 1 A 70 70 LYS HA H 70 4.342 4.411 -0.069 1
1 567 . 9 1 1 A 70 70 LYS N N 70 120.087 126.424 -6.337 1
1 568 . 9 1 1 A 71 71 GLU H H 71 7.727 7.759 -0.032 1
1 569 . 9 1 1 A 71 71 GLU HA H 71 4.532 4.672 -0.140 1
1 574 . 9 1 1 A 71 71 GLU N N 71 118.339 119.524 -1.185 1
1 575 . 9 1 1 A 72 72 LYS H H 72 8.574 8.646 -0.072 1
1 576 . 9 1 1 A 72 72 LYS HA H 72 3.519 3.813 -0.294 1
1 585 . 9 1 1 A 72 72 LYS N N 72 122.270 127.238 -4.968 1
1 586 . 9 1 1 A 73 73 GLY H H 73 9.551 8.861 0.690 1
1 587 . 9 1 1 A 73 73 GLY HA2 H 73 4.148 3.938 0.210 1
1 588 . 9 1 1 A 73 73 GLY HA3 H 73 3.349 3.949 -0.600 1
1 589 . 9 1 1 A 73 73 GLY N N 73 114.854 114.870 -0.016 1
1 590 . 9 1 1 A 74 74 GLN H H 74 7.926 7.464 0.462 1
1 591 . 9 1 1 A 74 74 GLN HA H 74 3.979 4.611 -0.632 1
1 598 . 9 1 1 A 74 74 GLN N N 74 122.200 121.198 1.002 1
1 600 . 9 1 1 A 75 75 LEU H H 75 8.130 8.546 -0.416 1
1 601 . 9 1 1 A 75 75 LEU HA H 75 5.187 4.803 0.384 1
1 611 . 9 1 1 A 75 75 LEU N N 75 124.036 127.504 -3.468 1
1 612 . 9 1 1 A 76 76 SER H H 76 9.245 8.957 0.288 1
1 613 . 9 1 1 A 76 76 SER HA H 76 4.382 4.151 0.231 1
1 616 . 9 1 1 A 76 76 SER N N 76 119.351 117.896 1.455 1
1 617 . 9 1 1 A 77 77 GLY H H 77 7.656 7.899 -0.243 1
1 618 . 9 1 1 A 77 77 GLY HA2 H 77 4.371 4.120 0.251 1
1 619 . 9 1 1 A 77 77 GLY HA3 H 77 3.611 4.135 -0.524 1
1 620 . 9 1 1 A 77 77 GLY N N 77 102.417 108.099 -5.682 1
1 621 . 9 1 1 A 78 78 VAL H H 78 8.421 9.351 -0.930 1
1 622 . 9 1 1 A 78 78 VAL HA H 78 3.853 4.866 -1.013 1
1 630 . 9 1 1 A 78 78 VAL N N 78 118.736 126.246 -7.510 1
1 631 . 9 1 1 A 79 79 ILE H H 79 9.387 9.836 -0.449 1
1 632 . 9 1 1 A 79 79 ILE HA H 79 4.210 4.810 -0.600 1
1 642 . 9 1 1 A 79 79 ILE N N 79 132.591 128.767 3.824 1
1 643 . 9 1 1 A 80 80 LYS H H 80 8.628 8.747 -0.119 1
1 644 . 9 1 1 A 80 80 LYS HA H 80 3.922 4.372 -0.450 1
1 653 . 9 1 1 A 80 80 LYS N N 80 128.368 129.204 -0.836 1
1 654 . 9 1 1 A 81 81 SER H H 81 7.919 8.563 -0.644 1
1 655 . 9 1 1 A 81 81 SER HA H 81 3.703 4.735 -1.032 1
1 658 . 9 1 1 A 81 81 SER N N 81 122.449 124.442 -1.993 1
1 659 . 9 1 1 A 82 82 SER H H 82 8.566 9.223 -0.657 1
1 660 . 9 1 1 A 82 82 SER HA H 82 4.019 4.156 -0.137 1
1 663 . 9 1 1 A 82 82 SER N N 82 117.460 118.673 -1.213 1
1 664 . 9 1 1 A 83 83 VAL H H 83 7.232 7.673 -0.441 1
1 665 . 9 1 1 A 83 83 VAL HA H 83 4.182 4.103 0.079 1
1 673 . 9 1 1 A 83 83 VAL N N 83 113.299 118.728 -5.429 1
1 674 . 9 1 1 A 84 84 GLY H H 84 7.160 7.077 0.083 1
1 675 . 9 1 1 A 84 84 GLY HA2 H 84 4.194 4.011 0.183 1
1 676 . 9 1 1 A 84 84 GLY HA3 H 84 3.509 4.115 -0.606 1
1 677 . 9 1 1 A 84 84 GLY N N 84 109.922 109.262 0.660 1
1 678 . 9 1 1 A 85 85 PHE H H 85 8.583 8.341 0.242 1
1 679 . 9 1 1 A 85 85 PHE HA H 85 4.935 5.375 -0.440 1
1 687 . 9 1 1 A 85 85 PHE N N 85 122.045 120.661 1.384 1
1 688 . 9 1 1 A 86 86 LEU H H 86 9.525 9.277 0.248 1
1 689 . 9 1 1 A 86 86 LEU HA H 86 5.476 5.596 -0.120 1
1 699 . 9 1 1 A 86 86 LEU N N 86 121.224 123.839 -2.615 1
1 700 . 9 1 1 A 87 87 ILE H H 87 8.479 9.083 -0.604 1
1 701 . 9 1 1 A 87 87 ILE HA H 87 4.002 5.402 -1.400 1
1 711 . 9 1 1 A 87 87 ILE N N 87 119.241 126.295 -7.054 1
1 712 . 9 1 1 A 88 88 VAL H H 88 8.838 9.520 -0.682 1
1 713 . 9 1 1 A 88 88 VAL HA H 88 4.935 5.430 -0.495 1
1 721 . 9 1 1 A 88 88 VAL N N 88 125.698 122.968 2.730 1
1 722 . 9 1 1 A 89 89 ARG H H 89 9.061 9.582 -0.521 1
1 723 . 9 1 1 A 89 89 ARG HA H 89 5.200 4.861 0.339 1
1 731 . 9 1 1 A 89 89 ARG N N 89 126.677 122.577 4.100 1
1 733 . 9 1 1 A 90 90 LEU H H 90 8.047 8.615 -0.568 1
1 734 . 9 1 1 A 90 90 LEU HA H 90 4.164 4.330 -0.166 1
1 744 . 9 1 1 A 90 90 LEU N N 90 127.853 127.683 0.170 1
1 745 . 9 1 1 A 91 91 ASP H H 91 8.569 8.774 -0.205 1
1 746 . 9 1 1 A 91 91 ASP HA H 91 4.491 4.499 -0.008 1
1 749 . 9 1 1 A 91 91 ASP N N 91 128.030 126.503 1.527 1
1 750 . 9 1 1 A 92 92 ASP H H 92 7.672 7.158 0.514 1
1 751 . 9 1 1 A 92 92 ASP HA H 92 4.555 5.096 -0.541 1
1 754 . 9 1 1 A 92 92 ASP N N 92 115.964 115.914 0.050 1
1 755 . 9 1 1 A 93 93 ILE H H 93 8.889 8.626 0.263 1
1 756 . 9 1 1 A 93 93 ILE HA H 93 4.751 4.965 -0.214 1
1 766 . 9 1 1 A 93 93 ILE N N 93 120.472 120.981 -0.509 1
1 767 . 9 1 1 A 94 94 GLN H H 94 8.851 9.362 -0.511 1
1 768 . 9 1 1 A 94 94 GLN HA H 94 4.422 5.010 -0.588 1
1 775 . 9 1 1 A 94 94 GLN N N 94 126.658 126.445 0.213 1
1 777 . 9 1 1 A 95 95 ALA H H 95 8.525 8.417 0.108 1
1 778 . 9 1 1 A 95 95 ALA HA H 95 4.210 4.417 -0.207 1
1 782 . 9 1 1 A 95 95 ALA N N 95 127.085 128.100 -1.015 1
1 783 . 9 1 1 A 96 96 ALA H H 96 8.308 8.123 0.185 1
1 784 . 9 1 1 A 96 96 ALA HA H 96 4.036 3.688 0.348 1
1 788 . 9 1 1 A 96 96 ALA N N 96 122.992 118.440 4.552 1
1 789 . 9 1 1 A 97 97 HIS H H 97 8.197 8.265 -0.068 1
1 790 . 9 1 1 A 97 97 HIS HA H 97 4.463 4.589 -0.126 1
1 793 . 9 1 1 A 97 97 HIS N N 97 118.058 111.323 6.735 1
1 6 . 10 1 1 A 2 2 GLN H H 2 8.503 7.674 0.829 1
1 7 . 10 1 1 A 2 2 GLN HA H 2 4.532 4.461 0.071 1
1 14 . 10 1 1 A 2 2 GLN N N 2 125.165 123.658 1.507 1
1 16 . 10 1 1 A 3 3 PRO HA H 3 4.217 4.835 -0.618 1
1 23 . 10 1 1 A 4 4 GLN H H 4 8.492 8.306 0.186 1
1 24 . 10 1 1 A 4 4 GLN HA H 4 4.382 4.319 0.063 1
1 31 . 10 1 1 A 4 4 GLN N N 4 120.871 119.103 1.768 1
1 33 . 10 1 1 A 5 5 ARG H H 5 8.365 8.257 0.108 1
1 34 . 10 1 1 A 5 5 ARG HA H 5 5.165 5.457 -0.292 1
1 42 . 10 1 1 A 5 5 ARG N N 5 121.503 122.266 -0.763 1
1 44 . 10 1 1 A 6 6 THR H H 6 8.801 8.978 -0.177 1
1 45 . 10 1 1 A 6 6 THR HA H 6 4.751 4.983 -0.232 1
1 50 . 10 1 1 A 6 6 THR N N 6 116.539 117.916 -1.377 1
1 51 . 10 1 1 A 7 7 ARG H H 7 8.337 8.687 -0.350 1
1 52 . 10 1 1 A 7 7 ARG HA H 7 4.567 4.286 0.281 1
1 60 . 10 1 1 A 7 7 ARG N N 7 129.822 127.149 2.673 1
1 62 . 10 1 1 A 8 8 TYR H H 8 7.810 8.315 -0.505 1
1 63 . 10 1 1 A 8 8 TYR HA H 8 5.211 4.931 0.280 1
1 70 . 10 1 1 A 8 8 TYR N N 8 125.080 127.205 -2.125 1
1 71 . 10 1 1 A 9 9 SER H H 9 8.654 9.029 -0.375 1
1 72 . 10 1 1 A 9 9 SER HA H 9 5.361 5.377 -0.016 1
1 75 . 10 1 1 A 9 9 SER N N 9 114.459 119.666 -5.207 1
1 76 . 10 1 1 A 10 10 ILE H H 10 9.112 9.319 -0.207 1
1 77 . 10 1 1 A 10 10 ILE HA H 10 5.709 5.981 -0.272 1
1 87 . 10 1 1 A 10 10 ILE N N 10 116.723 120.342 -3.619 1
1 88 . 10 1 1 A 11 11 ILE H H 11 8.827 8.857 -0.030 1
1 89 . 10 1 1 A 11 11 ILE HA H 11 3.630 5.075 -1.445 1
1 99 . 10 1 1 A 11 11 ILE N N 11 122.843 121.991 0.852 1
1 100 . 10 1 1 A 12 12 GLN H H 12 8.047 8.910 -0.863 1
1 101 . 10 1 1 A 12 12 GLN HA H 12 5.529 4.929 0.600 1
1 108 . 10 1 1 A 12 12 GLN N N 12 127.853 123.176 4.677 1
1 110 . 10 1 1 A 13 13 THR H H 13 9.657 9.214 0.443 1
1 111 . 10 1 1 A 13 13 THR HA H 13 5.050 4.909 0.141 1
1 116 . 10 1 1 A 13 13 THR N N 13 117.094 117.311 -0.217 1
1 117 . 10 1 1 A 14 14 LYS H H 14 9.035 8.738 0.297 1
1 118 . 10 1 1 A 14 14 LYS HA H 14 4.463 4.155 0.308 1
1 130 . 10 1 1 A 14 14 LYS N N 14 119.457 123.355 -3.898 1
1 131 . 10 1 1 A 15 15 THR H H 15 7.527 7.710 -0.183 1
1 132 . 10 1 1 A 15 15 THR HA H 15 4.785 4.969 -0.184 1
1 137 . 10 1 1 A 15 15 THR N N 15 104.566 110.729 -6.163 1
1 138 . 10 1 1 A 16 16 GLU H H 16 8.454 8.662 -0.208 1
1 139 . 10 1 1 A 16 16 GLU HA H 16 4.101 2.843 1.258 1
1 144 . 10 1 1 A 16 16 GLU N N 16 127.134 123.540 3.594 1
1 145 . 10 1 1 A 17 17 ASP H H 17 8.335 8.390 -0.055 1
1 146 . 10 1 1 A 17 17 ASP HA H 17 4.095 4.231 -0.136 1
1 149 . 10 1 1 A 17 17 ASP N N 17 117.583 119.507 -1.924 1
1 150 . 10 1 1 A 18 18 GLU H H 18 7.362 7.988 -0.626 1
1 151 . 10 1 1 A 18 18 GLU HA H 18 4.106 3.948 0.158 1
1 156 . 10 1 1 A 18 18 GLU N N 18 118.999 118.356 0.643 1
1 157 . 10 1 1 A 19 19 ALA H H 19 7.050 7.716 -0.666 1
1 158 . 10 1 1 A 19 19 ALA HA H 19 3.692 3.964 -0.272 1
1 162 . 10 1 1 A 19 19 ALA N N 19 123.146 122.238 0.908 1
1 163 . 10 1 1 A 20 20 LYS H H 20 8.335 7.973 0.362 1
1 164 . 10 1 1 A 20 20 LYS HA H 20 3.600 3.932 -0.332 1
1 173 . 10 1 1 A 20 20 LYS N N 20 117.583 116.926 0.657 1
1 174 . 10 1 1 A 21 21 ALA H H 21 7.522 7.496 0.026 1
1 175 . 10 1 1 A 21 21 ALA HA H 21 4.091 4.037 0.054 1
1 179 . 10 1 1 A 21 21 ALA N N 21 121.260 122.268 -1.008 1
1 180 . 10 1 1 A 22 22 VAL H H 22 7.670 7.452 0.218 1
1 181 . 10 1 1 A 22 22 VAL HA H 22 3.484 3.517 -0.033 1
1 189 . 10 1 1 A 22 22 VAL N N 22 120.352 118.359 1.993 1
1 190 . 10 1 1 A 23 23 LEU H H 23 8.175 8.516 -0.341 1
1 191 . 10 1 1 A 23 23 LEU HA H 23 3.874 3.976 -0.102 1
1 201 . 10 1 1 A 23 23 LEU N N 23 121.296 118.056 3.240 1
1 202 . 10 1 1 A 24 24 ASP H H 24 7.997 8.439 -0.442 1
1 203 . 10 1 1 A 24 24 ASP HA H 24 4.290 4.245 0.045 1
1 206 . 10 1 1 A 24 24 ASP N N 24 118.344 119.176 -0.832 1
1 207 . 10 1 1 A 25 25 GLU H H 25 7.488 7.927 -0.439 1
1 208 . 10 1 1 A 25 25 GLU HA H 25 3.874 4.135 -0.261 1
1 213 . 10 1 1 A 25 25 GLU N N 25 118.292 119.501 -1.209 1
1 214 . 10 1 1 A 26 26 LEU H H 26 8.574 7.643 0.931 1
1 215 . 10 1 1 A 26 26 LEU HA H 26 3.784 4.147 -0.363 1
1 225 . 10 1 1 A 26 26 LEU N N 26 122.270 119.719 2.551 1
1 226 . 10 1 1 A 27 27 ASN H H 27 8.663 7.940 0.723 1
1 227 . 10 1 1 A 27 27 ASN HA H 27 4.520 4.593 -0.073 1
1 232 . 10 1 1 A 27 27 ASN N N 27 120.178 118.870 1.308 1
1 234 . 10 1 1 A 28 28 LYS H H 28 7.339 7.600 -0.261 1
1 235 . 10 1 1 A 28 28 LYS HA H 28 4.331 4.327 0.004 1
1 247 . 10 1 1 A 28 28 LYS N N 28 118.773 117.327 1.446 1
1 248 . 10 1 1 A 29 29 GLY H H 29 7.680 7.631 0.049 1
1 249 . 10 1 1 A 29 29 GLY HA2 H 29 4.290 4.003 0.287 1
1 250 . 10 1 1 A 29 29 GLY HA3 H 29 3.703 4.020 -0.317 1
1 251 . 10 1 1 A 29 29 GLY N N 29 106.818 107.971 -1.153 1
1 252 . 10 1 1 A 30 30 GLY H H 30 8.241 8.221 0.020 1
1 253 . 10 1 1 A 30 30 GLY HA2 H 30 3.887 3.799 0.088 1
1 254 . 10 1 1 A 30 30 GLY HA3 H 30 3.128 3.802 -0.674 1
1 255 . 10 1 1 A 30 30 GLY N N 30 108.169 107.089 1.080 1
1 256 . 10 1 1 A 31 31 ASP H H 31 8.471 7.920 0.551 1
1 257 . 10 1 1 A 31 31 ASP HA H 31 4.555 4.987 -0.432 1
1 260 . 10 1 1 A 31 31 ASP N N 31 122.396 117.513 4.883 1
1 261 . 10 1 1 A 32 32 PHE H H 32 8.754 9.094 -0.340 1
1 262 . 10 1 1 A 32 32 PHE HA H 32 3.484 4.052 -0.568 1
1 270 . 10 1 1 A 32 32 PHE N N 32 129.042 125.919 3.123 1
1 271 . 10 1 1 A 33 33 ALA H H 33 8.099 8.514 -0.415 1
1 272 . 10 1 1 A 33 33 ALA HA H 33 4.451 4.017 0.434 1
1 276 . 10 1 1 A 33 33 ALA N N 33 118.535 121.199 -2.664 1
1 277 . 10 1 1 A 34 34 ALA H H 34 7.888 7.837 0.051 1
1 278 . 10 1 1 A 34 34 ALA HA H 34 3.945 4.095 -0.150 1
1 282 . 10 1 1 A 34 34 ALA N N 34 120.695 120.798 -0.103 1
1 283 . 10 1 1 A 35 35 LEU H H 35 8.135 8.093 0.042 1
1 284 . 10 1 1 A 35 35 LEU HA H 35 3.874 3.876 -0.002 1
1 294 . 10 1 1 A 35 35 LEU N N 35 119.988 119.522 0.466 1
1 295 . 10 1 1 A 36 36 ALA H H 36 8.833 8.556 0.277 1
1 296 . 10 1 1 A 36 36 ALA HA H 36 3.623 3.954 -0.331 1
1 300 . 10 1 1 A 36 36 ALA N N 36 123.123 121.575 1.548 1
1 301 . 10 1 1 A 37 37 LYS H H 37 7.838 8.062 -0.224 1
1 302 . 10 1 1 A 37 37 LYS HA H 37 3.874 4.098 -0.224 1
1 311 . 10 1 1 A 37 37 LYS N N 37 115.868 117.316 -1.448 1
1 312 . 10 1 1 A 38 38 GLU H H 38 7.398 7.528 -0.130 1
1 313 . 10 1 1 A 38 38 GLU HA H 38 4.103 4.018 0.085 1
1 318 . 10 1 1 A 38 38 GLU N N 38 115.281 120.084 -4.803 1
1 319 . 10 1 1 A 39 39 LYS H H 39 8.495 7.724 0.771 1
1 320 . 10 1 1 A 39 39 LYS HA H 39 4.411 4.205 0.206 1
1 329 . 10 1 1 A 39 39 LYS N N 39 113.533 119.758 -6.225 1
1 330 . 10 1 1 A 40 40 SER H H 40 8.188 7.412 0.776 1
1 331 . 10 1 1 A 40 40 SER HA H 40 4.198 4.697 -0.499 1
1 334 . 10 1 1 A 40 40 SER N N 40 111.913 111.046 0.867 1
1 335 . 10 1 1 A 41 41 ALA H H 41 9.472 9.309 0.163 1
1 336 . 10 1 1 A 41 41 ALA HA H 41 4.210 4.299 -0.089 1
1 340 . 10 1 1 A 41 41 ALA N N 41 128.478 124.616 3.862 1
1 341 . 10 1 1 A 42 42 ASP H H 42 7.328 8.079 -0.751 1
1 342 . 10 1 1 A 42 42 ASP HA H 42 4.659 4.435 0.224 1
1 345 . 10 1 1 A 42 42 ASP N N 42 118.084 118.140 -0.056 1
1 346 . 10 1 1 A 43 43 ILE H H 43 7.813 7.692 0.121 1
1 347 . 10 1 1 A 43 43 ILE HA H 43 3.715 3.847 -0.132 1
1 357 . 10 1 1 A 43 43 ILE N N 43 124.158 117.143 7.015 1
1 358 . 10 1 1 A 44 44 ILE H H 44 7.765 7.579 0.186 1
1 359 . 10 1 1 A 44 44 ILE HA H 44 3.680 3.800 -0.120 1
1 369 . 10 1 1 A 44 44 ILE N N 44 118.644 121.342 -2.698 1
1 370 . 10 1 1 A 45 45 SER H H 45 7.131 8.283 -1.152 1
1 371 . 10 1 1 A 45 45 SER HA H 45 4.348 4.599 -0.251 1
1 374 . 10 1 1 A 45 45 SER N N 45 112.128 112.718 -0.590 1
1 375 . 10 1 1 A 46 46 ALA H H 46 8.750 8.043 0.707 1
1 376 . 10 1 1 A 46 46 ALA HA H 46 3.703 4.019 -0.316 1
1 380 . 10 1 1 A 46 46 ALA N N 46 130.693 125.033 5.660 1
1 381 . 10 1 1 A 47 47 ARG H H 47 7.335 7.796 -0.461 1
1 382 . 10 1 1 A 47 47 ARG HA H 47 4.034 4.191 -0.157 1
1 390 . 10 1 1 A 47 47 ARG N N 47 113.301 117.712 -4.411 1
1 392 . 10 1 1 A 48 48 ASN H H 48 7.393 7.980 -0.587 1
1 393 . 10 1 1 A 48 48 ASN HA H 48 5.073 4.891 0.182 1
1 398 . 10 1 1 A 48 48 ASN N N 48 116.377 115.416 0.961 1
1 400 . 10 1 1 A 49 49 GLY H H 49 8.146 8.708 -0.562 1
1 401 . 10 1 1 A 49 49 GLY HA2 H 49 4.023 3.905 0.118 1
1 402 . 10 1 1 A 49 49 GLY HA3 H 49 3.943 3.914 0.029 1
1 403 . 10 1 1 A 49 49 GLY N N 49 109.272 107.949 1.323 1
1 404 . 10 1 1 A 50 50 GLY H H 50 8.422 8.712 -0.290 1
1 405 . 10 1 1 A 50 50 GLY HA2 H 50 4.440 3.954 0.486 1
1 406 . 10 1 1 A 50 50 GLY HA3 H 50 3.450 4.075 -0.625 1
1 407 . 10 1 1 A 50 50 GLY N N 50 106.705 107.686 -0.981 1
1 408 . 10 1 1 A 51 51 ASP H H 51 6.672 7.947 -1.275 1
1 409 . 10 1 1 A 51 51 ASP HA H 51 4.601 4.583 0.018 1
1 412 . 10 1 1 A 51 51 ASP N N 51 118.848 121.325 -2.477 1
1 413 . 10 1 1 A 52 52 MET H H 52 9.118 8.621 0.497 1
1 414 . 10 1 1 A 52 52 MET HA H 52 4.302 4.289 0.013 1
1 419 . 10 1 1 A 52 52 MET N N 52 126.094 122.768 3.326 1
1 420 . 10 1 1 A 53 53 GLY H H 53 8.274 7.293 0.981 1
1 421 . 10 1 1 A 53 53 GLY HA2 H 53 4.049 4.062 -0.013 1
1 422 . 10 1 1 A 53 53 GLY HA3 H 53 3.315 4.121 -0.806 1
1 423 . 10 1 1 A 53 53 GLY N N 53 107.535 106.461 1.074 1
1 424 . 10 1 1 A 54 54 TRP H H 54 8.154 8.455 -0.301 1
1 425 . 10 1 1 A 54 54 TRP HA H 54 4.233 5.173 -0.940 1
1 434 . 10 1 1 A 54 54 TRP N N 54 117.028 121.779 -4.751 1
1 436 . 10 1 1 A 55 55 LEU H H 55 8.910 8.748 0.162 1
1 437 . 10 1 1 A 55 55 LEU HA H 55 4.753 5.128 -0.375 1
1 447 . 10 1 1 A 55 55 LEU N N 55 125.087 121.689 3.398 1
1 448 . 10 1 1 A 56 56 GLU H H 56 8.213 8.627 -0.414 1
1 449 . 10 1 1 A 56 56 GLU HA H 56 4.601 4.725 -0.124 1
1 454 . 10 1 1 A 56 56 GLU N N 56 120.058 119.373 0.685 1
1 455 . 10 1 1 A 57 57 ASP H H 57 8.706 9.481 -0.775 1
1 456 . 10 1 1 A 57 57 ASP HA H 57 4.256 4.338 -0.082 1
1 459 . 10 1 1 A 57 57 ASP N N 57 123.804 124.261 -0.457 1
1 460 . 10 1 1 A 58 58 ALA H H 58 8.566 8.758 -0.192 1
1 461 . 10 1 1 A 58 58 ALA HA H 58 4.129 4.030 0.099 1
1 465 . 10 1 1 A 58 58 ALA N N 58 117.470 122.638 -5.168 1
1 466 . 10 1 1 A 59 59 THR H H 59 7.873 8.036 -0.163 1
1 467 . 10 1 1 A 59 59 THR HA H 59 4.382 4.493 -0.111 1
1 472 . 10 1 1 A 59 59 THR N N 59 106.456 107.347 -0.891 1
1 473 . 10 1 1 A 60 60 ILE H H 60 7.294 7.593 -0.299 1
1 474 . 10 1 1 A 60 60 ILE HA H 60 4.095 4.304 -0.209 1
1 484 . 10 1 1 A 60 60 ILE N N 60 124.761 125.664 -0.903 1
1 485 . 10 1 1 A 61 61 PRO HA H 61 4.365 4.569 -0.204 1
1 492 . 10 1 1 A 62 62 ASP H H 62 8.969 8.733 0.236 1
1 493 . 10 1 1 A 62 62 ASP HA H 62 4.072 4.274 -0.202 1
1 496 . 10 1 1 A 62 62 ASP N N 62 125.215 123.050 2.165 1
1 497 . 10 1 1 A 63 63 GLU H H 63 9.542 8.202 1.340 1
1 498 . 10 1 1 A 63 63 GLU HA H 63 3.841 4.062 -0.221 1
1 503 . 10 1 1 A 63 63 GLU N N 63 116.092 120.533 -4.441 1
1 504 . 10 1 1 A 64 64 LEU H H 64 6.892 7.754 -0.862 1
1 505 . 10 1 1 A 64 64 LEU HA H 64 3.829 4.050 -0.221 1
1 515 . 10 1 1 A 64 64 LEU N N 64 116.203 120.414 -4.211 1
1 516 . 10 1 1 A 65 65 LYS H H 65 7.635 7.693 -0.058 1
1 517 . 10 1 1 A 65 65 LYS HA H 65 3.829 4.014 -0.185 1
1 526 . 10 1 1 A 65 65 LYS N N 65 120.789 120.097 0.692 1
1 527 . 10 1 1 A 66 66 ASN H H 66 8.270 7.683 0.587 1
1 528 . 10 1 1 A 66 66 ASN HA H 66 4.502 4.582 -0.080 1
1 533 . 10 1 1 A 66 66 ASN N N 66 114.881 117.143 -2.262 1
1 535 . 10 1 1 A 67 67 ALA H H 67 7.136 7.431 -0.295 1
1 536 . 10 1 1 A 67 67 ALA HA H 67 4.095 4.176 -0.081 1
1 540 . 10 1 1 A 67 67 ALA N N 67 120.993 119.449 1.544 1
1 541 . 10 1 1 A 68 68 GLY H H 68 7.654 8.068 -0.414 1
1 542 . 10 1 1 A 68 68 GLY HA2 H 68 3.715 3.970 -0.255 1
1 543 . 10 1 1 A 68 68 GLY HA3 H 68 3.714 3.981 -0.267 1
1 544 . 10 1 1 A 68 68 GLY N N 68 104.575 107.839 -3.264 1
1 545 . 10 1 1 A 69 69 LEU H H 69 8.208 8.026 0.182 1
1 546 . 10 1 1 A 69 69 LEU HA H 69 4.002 4.514 -0.512 1
1 556 . 10 1 1 A 69 69 LEU N N 69 119.478 122.617 -3.139 1
1 557 . 10 1 1 A 70 70 LYS H H 70 8.525 8.696 -0.171 1
1 558 . 10 1 1 A 70 70 LYS HA H 70 4.342 4.477 -0.135 1
1 567 . 10 1 1 A 70 70 LYS N N 70 120.087 126.734 -6.647 1
1 568 . 10 1 1 A 71 71 GLU H H 71 7.727 7.835 -0.108 1
1 569 . 10 1 1 A 71 71 GLU HA H 71 4.532 4.870 -0.338 1
1 574 . 10 1 1 A 71 71 GLU N N 71 118.339 119.403 -1.064 1
1 575 . 10 1 1 A 72 72 LYS H H 72 8.574 8.619 -0.045 1
1 576 . 10 1 1 A 72 72 LYS HA H 72 3.519 3.881 -0.362 1
1 585 . 10 1 1 A 72 72 LYS N N 72 122.270 127.127 -4.857 1
1 586 . 10 1 1 A 73 73 GLY H H 73 9.551 8.904 0.647 1
1 587 . 10 1 1 A 73 73 GLY HA2 H 73 4.148 3.987 0.161 1
1 588 . 10 1 1 A 73 73 GLY HA3 H 73 3.349 3.992 -0.643 1
1 589 . 10 1 1 A 73 73 GLY N N 73 114.854 114.971 -0.117 1
1 590 . 10 1 1 A 74 74 GLN H H 74 7.926 7.381 0.545 1
1 591 . 10 1 1 A 74 74 GLN HA H 74 3.979 4.697 -0.718 1
1 598 . 10 1 1 A 74 74 GLN N N 74 122.200 121.193 1.007 1
1 600 . 10 1 1 A 75 75 LEU H H 75 8.130 8.568 -0.438 1
1 601 . 10 1 1 A 75 75 LEU HA H 75 5.187 4.799 0.388 1
1 611 . 10 1 1 A 75 75 LEU N N 75 124.036 123.703 0.333 1
1 612 . 10 1 1 A 76 76 SER H H 76 9.245 8.921 0.324 1
1 613 . 10 1 1 A 76 76 SER HA H 76 4.382 4.180 0.202 1
1 616 . 10 1 1 A 76 76 SER N N 76 119.351 115.158 4.193 1
1 617 . 10 1 1 A 77 77 GLY H H 77 7.656 7.792 -0.136 1
1 618 . 10 1 1 A 77 77 GLY HA2 H 77 4.371 4.073 0.298 1
1 619 . 10 1 1 A 77 77 GLY HA3 H 77 3.611 4.088 -0.477 1
1 620 . 10 1 1 A 77 77 GLY N N 77 102.417 108.530 -6.113 1
1 621 . 10 1 1 A 78 78 VAL H H 78 8.421 9.452 -1.031 1
1 622 . 10 1 1 A 78 78 VAL HA H 78 3.853 4.880 -1.027 1
1 630 . 10 1 1 A 78 78 VAL N N 78 118.736 125.927 -7.191 1
1 631 . 10 1 1 A 79 79 ILE H H 79 9.387 9.876 -0.489 1
1 632 . 10 1 1 A 79 79 ILE HA H 79 4.210 4.683 -0.473 1
1 642 . 10 1 1 A 79 79 ILE N N 79 132.591 128.755 3.836 1
1 643 . 10 1 1 A 80 80 LYS H H 80 8.628 8.810 -0.182 1
1 644 . 10 1 1 A 80 80 LYS HA H 80 3.922 4.570 -0.648 1
1 653 . 10 1 1 A 80 80 LYS N N 80 128.368 129.279 -0.911 1
1 654 . 10 1 1 A 81 81 SER H H 81 7.919 8.202 -0.283 1
1 655 . 10 1 1 A 81 81 SER HA H 81 3.703 4.767 -1.064 1
1 658 . 10 1 1 A 81 81 SER N N 81 122.449 124.495 -2.046 1
1 659 . 10 1 1 A 82 82 SER H H 82 8.566 8.745 -0.179 1
1 660 . 10 1 1 A 82 82 SER HA H 82 4.019 4.182 -0.163 1
1 663 . 10 1 1 A 82 82 SER N N 82 117.460 119.020 -1.560 1
1 664 . 10 1 1 A 83 83 VAL H H 83 7.232 7.642 -0.410 1
1 665 . 10 1 1 A 83 83 VAL HA H 83 4.182 4.026 0.156 1
1 673 . 10 1 1 A 83 83 VAL N N 83 113.299 115.120 -1.821 1
1 674 . 10 1 1 A 84 84 GLY H H 84 7.160 7.246 -0.086 1
1 675 . 10 1 1 A 84 84 GLY HA2 H 84 4.194 4.061 0.133 1
1 676 . 10 1 1 A 84 84 GLY HA3 H 84 3.509 4.095 -0.586 1
1 677 . 10 1 1 A 84 84 GLY N N 84 109.922 108.699 1.223 1
1 678 . 10 1 1 A 85 85 PHE H H 85 8.583 8.251 0.332 1
1 679 . 10 1 1 A 85 85 PHE HA H 85 4.935 5.276 -0.341 1
1 687 . 10 1 1 A 85 85 PHE N N 85 122.045 119.880 2.165 1
1 688 . 10 1 1 A 86 86 LEU H H 86 9.525 9.072 0.453 1
1 689 . 10 1 1 A 86 86 LEU HA H 86 5.476 5.384 0.092 1
1 699 . 10 1 1 A 86 86 LEU N N 86 121.224 124.586 -3.362 1
1 700 . 10 1 1 A 87 87 ILE H H 87 8.479 9.445 -0.966 1
1 701 . 10 1 1 A 87 87 ILE HA H 87 4.002 5.016 -1.014 1
1 711 . 10 1 1 A 87 87 ILE N N 87 119.241 127.289 -8.048 1
1 712 . 10 1 1 A 88 88 VAL H H 88 8.838 9.419 -0.581 1
1 713 . 10 1 1 A 88 88 VAL HA H 88 4.935 5.466 -0.531 1
1 721 . 10 1 1 A 88 88 VAL N N 88 125.698 128.505 -2.807 1
1 722 . 10 1 1 A 89 89 ARG H H 89 9.061 9.289 -0.228 1
1 723 . 10 1 1 A 89 89 ARG HA H 89 5.200 4.856 0.344 1
1 731 . 10 1 1 A 89 89 ARG N N 89 126.677 128.262 -1.585 1
1 733 . 10 1 1 A 90 90 LEU H H 90 8.047 8.602 -0.555 1
1 734 . 10 1 1 A 90 90 LEU HA H 90 4.164 4.505 -0.341 1
1 744 . 10 1 1 A 90 90 LEU N N 90 127.853 127.277 0.576 1
1 745 . 10 1 1 A 91 91 ASP H H 91 8.569 8.802 -0.233 1
1 746 . 10 1 1 A 91 91 ASP HA H 91 4.491 4.507 -0.016 1
1 749 . 10 1 1 A 91 91 ASP N N 91 128.030 126.420 1.610 1
1 750 . 10 1 1 A 92 92 ASP H H 92 7.672 7.075 0.597 1
1 751 . 10 1 1 A 92 92 ASP HA H 92 4.555 4.942 -0.387 1
1 754 . 10 1 1 A 92 92 ASP N N 92 115.964 117.141 -1.177 1
1 755 . 10 1 1 A 93 93 ILE H H 93 8.889 8.606 0.283 1
1 756 . 10 1 1 A 93 93 ILE HA H 93 4.751 5.109 -0.358 1
1 766 . 10 1 1 A 93 93 ILE N N 93 120.472 122.683 -2.211 1
1 767 . 10 1 1 A 94 94 GLN H H 94 8.851 9.452 -0.601 1
1 768 . 10 1 1 A 94 94 GLN HA H 94 4.422 4.764 -0.342 1
1 775 . 10 1 1 A 94 94 GLN N N 94 126.658 125.479 1.179 1
1 777 . 10 1 1 A 95 95 ALA H H 95 8.525 8.842 -0.317 1
1 778 . 10 1 1 A 95 95 ALA HA H 95 4.210 4.011 0.199 1
1 782 . 10 1 1 A 95 95 ALA N N 95 127.085 120.864 6.221 1
1 783 . 10 1 1 A 96 96 ALA H H 96 8.308 8.712 -0.404 1
1 784 . 10 1 1 A 96 96 ALA HA H 96 4.036 3.846 0.190 1
1 788 . 10 1 1 A 96 96 ALA N N 96 122.992 121.376 1.616 1
1 789 . 10 1 1 A 97 97 HIS H H 97 8.197 7.756 0.441 1
1 790 . 10 1 1 A 97 97 HIS HA H 97 4.463 4.416 0.047 1
1 793 . 10 1 1 A 97 97 HIS N N 97 118.058 118.175 -0.117 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 94 0.515 1
5 1 1 1 "RMS(OBS, PRED)" HA 105 0.390 1
6 1 1 1 "RMS(OBS, PRED)" N 94 3.114 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 94 0.535 1
11 1 2 1 "RMS(OBS, PRED)" HA 105 0.398 1
12 1 2 1 "RMS(OBS, PRED)" N 94 3.292 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 94 0.488 1
17 1 3 1 "RMS(OBS, PRED)" HA 105 0.402 1
18 1 3 1 "RMS(OBS, PRED)" N 94 3.080 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 94 0.526 1
23 1 4 1 "RMS(OBS, PRED)" HA 105 0.407 1
24 1 4 1 "RMS(OBS, PRED)" N 94 3.218 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 94 0.510 1
29 1 5 1 "RMS(OBS, PRED)" HA 105 0.388 1
30 1 5 1 "RMS(OBS, PRED)" N 94 3.300 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 94 0.535 1
35 1 6 1 "RMS(OBS, PRED)" HA 105 0.371 1
36 1 6 1 "RMS(OBS, PRED)" N 94 3.059 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 94 0.522 1
41 1 7 1 "RMS(OBS, PRED)" HA 105 0.398 1
42 1 7 1 "RMS(OBS, PRED)" N 94 3.136 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 94 0.504 1
47 1 8 1 "RMS(OBS, PRED)" HA 105 0.397 1
48 1 8 1 "RMS(OBS, PRED)" N 94 3.086 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 94 0.526 1
53 1 9 1 "RMS(OBS, PRED)" HA 105 0.413 1
54 1 9 1 "RMS(OBS, PRED)" N 94 3.233 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 94 0.506 1
59 1 10 1 "RMS(OBS, PRED)" HA 105 0.407 1
60 1 10 1 "RMS(OBS, PRED)" N 94 3.142 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 6 . 1 1 A 2 2 GLN H H 2 8.503 8.160 0.343 2
1 7 . 1 1 A 2 2 GLN HA H 2 4.532 4.684 -0.152 2
1 14 . 1 1 A 2 2 GLN N N 2 125.165 122.168 2.997 2
1 16 . 1 1 A 3 3 PRO HA H 3 4.217 4.695 -0.478 2
1 23 . 1 1 A 4 4 GLN H H 4 8.492 8.325 0.167 2
1 24 . 1 1 A 4 4 GLN HA H 4 4.382 4.301 0.081 2
1 31 . 1 1 A 4 4 GLN N N 4 120.871 118.664 2.207 2
1 33 . 1 1 A 5 5 ARG H H 5 8.365 8.771 -0.406 2
1 34 . 1 1 A 5 5 ARG HA H 5 5.165 5.424 -0.259 2
1 42 . 1 1 A 5 5 ARG N N 5 121.503 121.166 0.337 2
1 44 . 1 1 A 6 6 THR H H 6 8.801 9.199 -0.398 2
1 45 . 1 1 A 6 6 THR HA H 6 4.751 4.955 -0.204 2
1 50 . 1 1 A 6 6 THR N N 6 116.539 117.207 -0.668 2
1 51 . 1 1 A 7 7 ARG H H 7 8.337 8.508 -0.171 2
1 52 . 1 1 A 7 7 ARG HA H 7 4.567 4.221 0.346 2
1 60 . 1 1 A 7 7 ARG N N 7 129.822 126.738 3.084 2
1 62 . 1 1 A 8 8 TYR H H 8 7.810 8.505 -0.695 2
1 63 . 1 1 A 8 8 TYR HA H 8 5.211 4.990 0.221 2
1 70 . 1 1 A 8 8 TYR N N 8 125.080 127.016 -1.936 2
1 71 . 1 1 A 9 9 SER H H 9 8.654 8.887 -0.233 2
1 72 . 1 1 A 9 9 SER HA H 9 5.361 5.587 -0.226 2
1 75 . 1 1 A 9 9 SER N N 9 114.459 118.689 -4.230 2
1 76 . 1 1 A 10 10 ILE H H 10 9.112 9.157 -0.045 2
1 77 . 1 1 A 10 10 ILE HA H 10 5.709 5.903 -0.194 2
1 87 . 1 1 A 10 10 ILE N N 10 116.723 120.293 -3.570 2
1 88 . 1 1 A 11 11 ILE H H 11 8.827 8.885 -0.058 2
1 89 . 1 1 A 11 11 ILE HA H 11 3.630 5.072 -1.442 2
1 99 . 1 1 A 11 11 ILE N N 11 122.843 121.320 1.523 2
1 100 . 1 1 A 12 12 GLN H H 12 8.047 8.819 -0.772 2
1 101 . 1 1 A 12 12 GLN HA H 12 5.529 5.002 0.527 2
1 108 . 1 1 A 12 12 GLN N N 12 127.853 123.645 4.208 2
1 110 . 1 1 A 13 13 THR H H 13 9.657 9.378 0.279 2
1 111 . 1 1 A 13 13 THR HA H 13 5.050 4.946 0.104 2
1 116 . 1 1 A 13 13 THR N N 13 117.094 117.097 -0.003 2
1 117 . 1 1 A 14 14 LYS H H 14 9.035 8.789 0.246 2
1 118 . 1 1 A 14 14 LYS HA H 14 4.463 4.241 0.222 2
1 130 . 1 1 A 14 14 LYS N N 14 119.457 122.217 -2.760 2
1 131 . 1 1 A 15 15 THR H H 15 7.527 7.847 -0.320 2
1 132 . 1 1 A 15 15 THR HA H 15 4.785 4.947 -0.162 2
1 137 . 1 1 A 15 15 THR N N 15 104.566 111.094 -6.528 2
1 138 . 1 1 A 16 16 GLU H H 16 8.454 8.680 -0.226 2
1 139 . 1 1 A 16 16 GLU HA H 16 4.101 3.039 1.062 2
1 144 . 1 1 A 16 16 GLU N N 16 127.134 123.102 4.032 2
1 145 . 1 1 A 17 17 ASP H H 17 8.335 8.367 -0.032 2
1 146 . 1 1 A 17 17 ASP HA H 17 4.095 4.255 -0.160 2
1 149 . 1 1 A 17 17 ASP N N 17 117.583 119.658 -2.075 2
1 150 . 1 1 A 18 18 GLU H H 18 7.362 7.867 -0.505 2
1 151 . 1 1 A 18 18 GLU HA H 18 4.106 3.960 0.146 2
1 156 . 1 1 A 18 18 GLU N N 18 118.999 118.412 0.587 2
1 157 . 1 1 A 19 19 ALA H H 19 7.050 7.881 -0.831 2
1 158 . 1 1 A 19 19 ALA HA H 19 3.692 4.015 -0.323 2
1 162 . 1 1 A 19 19 ALA N N 19 123.146 122.430 0.716 2
1 163 . 1 1 A 20 20 LYS H H 20 8.335 8.198 0.137 2
1 164 . 1 1 A 20 20 LYS HA H 20 3.600 3.955 -0.355 2
1 173 . 1 1 A 20 20 LYS N N 20 117.583 116.830 0.753 2
1 174 . 1 1 A 21 21 ALA H H 21 7.522 7.614 -0.092 2
1 175 . 1 1 A 21 21 ALA HA H 21 4.091 4.023 0.068 2
1 179 . 1 1 A 21 21 ALA N N 21 121.260 122.258 -0.998 2
1 180 . 1 1 A 22 22 VAL H H 22 7.670 7.675 -0.005 2
1 181 . 1 1 A 22 22 VAL HA H 22 3.484 3.576 -0.092 2
1 189 . 1 1 A 22 22 VAL N N 22 120.352 118.290 2.062 2
1 190 . 1 1 A 23 23 LEU H H 23 8.175 8.469 -0.294 2
1 191 . 1 1 A 23 23 LEU HA H 23 3.874 3.996 -0.122 2
1 201 . 1 1 A 23 23 LEU N N 23 121.296 118.475 2.821 2
1 202 . 1 1 A 24 24 ASP H H 24 7.997 8.370 -0.373 2
1 203 . 1 1 A 24 24 ASP HA H 24 4.290 4.249 0.041 2
1 206 . 1 1 A 24 24 ASP N N 24 118.344 119.185 -0.841 2
1 207 . 1 1 A 25 25 GLU H H 25 7.488 7.741 -0.253 2
1 208 . 1 1 A 25 25 GLU HA H 25 3.874 4.123 -0.249 2
1 213 . 1 1 A 25 25 GLU N N 25 118.292 119.514 -1.222 2
1 214 . 1 1 A 26 26 LEU H H 26 8.574 7.777 0.797 2
1 215 . 1 1 A 26 26 LEU HA H 26 3.784 4.189 -0.405 2
1 225 . 1 1 A 26 26 LEU N N 26 122.270 119.987 2.283 2
1 226 . 1 1 A 27 27 ASN H H 27 8.663 8.129 0.534 2
1 227 . 1 1 A 27 27 ASN HA H 27 4.520 4.524 -0.004 2
1 232 . 1 1 A 27 27 ASN N N 27 120.178 118.163 2.015 2
1 234 . 1 1 A 28 28 LYS H H 28 7.339 7.473 -0.134 2
1 235 . 1 1 A 28 28 LYS HA H 28 4.331 4.251 0.080 2
1 247 . 1 1 A 28 28 LYS N N 28 118.773 116.879 1.894 2
1 248 . 1 1 A 29 29 GLY H H 29 7.680 7.764 -0.085 2
1 249 . 1 1 A 29 29 GLY HA2 H 29 4.290 4.002 0.288 2
1 250 . 1 1 A 29 29 GLY HA3 H 29 3.703 4.020 -0.317 2
1 251 . 1 1 A 29 29 GLY N N 29 106.818 107.885 -1.067 2
1 252 . 1 1 A 30 30 GLY H H 30 8.241 8.188 0.053 2
1 253 . 1 1 A 30 30 GLY HA2 H 30 3.887 3.804 0.084 2
1 254 . 1 1 A 30 30 GLY HA3 H 30 3.128 3.806 -0.678 2
1 255 . 1 1 A 30 30 GLY N N 30 108.169 106.846 1.323 2
1 256 . 1 1 A 31 31 ASP H H 31 8.471 8.112 0.359 2
1 257 . 1 1 A 31 31 ASP HA H 31 4.555 5.007 -0.452 2
1 260 . 1 1 A 31 31 ASP N N 31 122.396 118.164 4.232 2
1 261 . 1 1 A 32 32 PHE H H 32 8.754 9.039 -0.285 2
1 262 . 1 1 A 32 32 PHE HA H 32 3.484 4.066 -0.582 2
1 270 . 1 1 A 32 32 PHE N N 32 129.042 126.209 2.833 2
1 271 . 1 1 A 33 33 ALA H H 33 8.099 8.366 -0.267 2
1 272 . 1 1 A 33 33 ALA HA H 33 4.451 4.026 0.425 2
1 276 . 1 1 A 33 33 ALA N N 33 118.535 121.243 -2.708 2
1 277 . 1 1 A 34 34 ALA H H 34 7.888 7.937 -0.049 2
1 278 . 1 1 A 34 34 ALA HA H 34 3.945 4.087 -0.141 2
1 282 . 1 1 A 34 34 ALA N N 34 120.695 120.604 0.091 2
1 283 . 1 1 A 35 35 LEU H H 35 8.135 8.025 0.110 2
1 284 . 1 1 A 35 35 LEU HA H 35 3.874 3.831 0.043 2
1 294 . 1 1 A 35 35 LEU N N 35 119.988 119.084 0.904 2
1 295 . 1 1 A 36 36 ALA H H 36 8.833 8.138 0.695 2
1 296 . 1 1 A 36 36 ALA HA H 36 3.623 3.901 -0.278 2
1 300 . 1 1 A 36 36 ALA N N 36 123.123 121.636 1.487 2
1 301 . 1 1 A 37 37 LYS H H 37 7.838 7.831 0.007 2
1 302 . 1 1 A 37 37 LYS HA H 37 3.874 4.062 -0.188 2
1 311 . 1 1 A 37 37 LYS N N 37 115.868 117.374 -1.506 2
1 312 . 1 1 A 38 38 GLU H H 38 7.398 7.763 -0.365 2
1 313 . 1 1 A 38 38 GLU HA H 38 4.103 4.131 -0.028 2
1 318 . 1 1 A 38 38 GLU N N 38 115.281 119.411 -4.130 2
1 319 . 1 1 A 39 39 LYS H H 39 8.495 7.612 0.883 2
1 320 . 1 1 A 39 39 LYS HA H 39 4.411 4.307 0.104 2
1 329 . 1 1 A 39 39 LYS N N 39 113.533 118.466 -4.933 2
1 330 . 1 1 A 40 40 SER H H 40 8.188 7.479 0.710 2
1 331 . 1 1 A 40 40 SER HA H 40 4.198 4.580 -0.382 2
1 334 . 1 1 A 40 40 SER N N 40 111.913 114.890 -2.977 2
1 335 . 1 1 A 41 41 ALA H H 41 9.472 9.229 0.243 2
1 336 . 1 1 A 41 41 ALA HA H 41 4.210 4.293 -0.083 2
1 340 . 1 1 A 41 41 ALA N N 41 128.478 127.072 1.406 2
1 341 . 1 1 A 42 42 ASP H H 42 7.328 8.135 -0.807 2
1 342 . 1 1 A 42 42 ASP HA H 42 4.659 4.426 0.233 2
1 345 . 1 1 A 42 42 ASP N N 42 118.084 118.840 -0.756 2
1 346 . 1 1 A 43 43 ILE H H 43 7.813 7.625 0.188 2
1 347 . 1 1 A 43 43 ILE HA H 43 3.715 3.846 -0.132 2
1 357 . 1 1 A 43 43 ILE N N 43 124.158 117.099 7.060 2
1 358 . 1 1 A 44 44 ILE H H 44 7.765 7.593 0.172 2
1 359 . 1 1 A 44 44 ILE HA H 44 3.680 3.777 -0.097 2
1 369 . 1 1 A 44 44 ILE N N 44 118.644 121.348 -2.704 2
1 370 . 1 1 A 45 45 SER H H 45 7.131 8.417 -1.286 2
1 371 . 1 1 A 45 45 SER HA H 45 4.348 4.579 -0.231 2
1 374 . 1 1 A 45 45 SER N N 45 112.128 114.484 -2.356 2
1 375 . 1 1 A 46 46 ALA H H 46 8.750 8.114 0.636 2
1 376 . 1 1 A 46 46 ALA HA H 46 3.703 4.073 -0.370 2
1 380 . 1 1 A 46 46 ALA N N 46 130.693 123.978 6.715 2
1 381 . 1 1 A 47 47 ARG H H 47 7.335 7.973 -0.638 2
1 382 . 1 1 A 47 47 ARG HA H 47 4.034 4.156 -0.122 2
1 390 . 1 1 A 47 47 ARG N N 47 113.301 118.078 -4.777 2
1 392 . 1 1 A 48 48 ASN H H 48 7.393 8.195 -0.802 2
1 393 . 1 1 A 48 48 ASN HA H 48 5.073 4.751 0.322 2
1 398 . 1 1 A 48 48 ASN N N 48 116.377 114.581 1.796 2
1 400 . 1 1 A 49 49 GLY H H 49 8.146 8.380 -0.234 2
1 401 . 1 1 A 49 49 GLY HA2 H 49 4.023 3.903 0.120 2
1 402 . 1 1 A 49 49 GLY HA3 H 49 3.943 3.917 0.026 2
1 403 . 1 1 A 49 49 GLY N N 49 109.272 108.428 0.844 2
1 404 . 1 1 A 50 50 GLY H H 50 8.422 8.595 -0.173 2
1 405 . 1 1 A 50 50 GLY HA2 H 50 4.440 3.956 0.484 2
1 406 . 1 1 A 50 50 GLY HA3 H 50 3.450 4.059 -0.609 2
1 407 . 1 1 A 50 50 GLY N N 50 106.705 107.548 -0.843 2
1 408 . 1 1 A 51 51 ASP H H 51 6.672 8.206 -1.534 2
1 409 . 1 1 A 51 51 ASP HA H 51 4.601 4.689 -0.088 2
1 412 . 1 1 A 51 51 ASP N N 51 118.848 120.639 -1.791 2
1 413 . 1 1 A 52 52 MET H H 52 9.118 8.805 0.313 2
1 414 . 1 1 A 52 52 MET HA H 52 4.302 4.450 -0.148 2
1 419 . 1 1 A 52 52 MET N N 52 126.094 123.795 2.299 2
1 420 . 1 1 A 53 53 GLY H H 53 8.274 7.435 0.839 2
1 421 . 1 1 A 53 53 GLY HA2 H 53 4.049 4.024 0.025 2
1 422 . 1 1 A 53 53 GLY HA3 H 53 3.315 4.088 -0.773 2
1 423 . 1 1 A 53 53 GLY N N 53 107.535 106.144 1.391 2
1 424 . 1 1 A 54 54 TRP H H 54 8.154 8.452 -0.298 2
1 425 . 1 1 A 54 54 TRP HA H 54 4.233 5.036 -0.803 2
1 434 . 1 1 A 54 54 TRP N N 54 117.028 122.064 -5.036 2
1 436 . 1 1 A 55 55 LEU H H 55 8.910 8.886 0.024 2
1 437 . 1 1 A 55 55 LEU HA H 55 4.753 5.173 -0.420 2
1 447 . 1 1 A 55 55 LEU N N 55 125.087 121.144 3.943 2
1 448 . 1 1 A 56 56 GLU H H 56 8.213 8.498 -0.285 2
1 449 . 1 1 A 56 56 GLU HA H 56 4.601 4.654 -0.053 2
1 454 . 1 1 A 56 56 GLU N N 56 120.058 119.244 0.814 2
1 455 . 1 1 A 57 57 ASP H H 57 8.706 9.461 -0.755 2
1 456 . 1 1 A 57 57 ASP HA H 57 4.256 4.388 -0.132 2
1 459 . 1 1 A 57 57 ASP N N 57 123.804 124.063 -0.259 2
1 460 . 1 1 A 58 58 ALA H H 58 8.566 8.759 -0.193 2
1 461 . 1 1 A 58 58 ALA HA H 58 4.129 4.049 0.080 2
1 465 . 1 1 A 58 58 ALA N N 58 117.470 122.824 -5.354 2
1 466 . 1 1 A 59 59 THR H H 59 7.873 7.966 -0.093 2
1 467 . 1 1 A 59 59 THR HA H 59 4.382 4.531 -0.149 2
1 472 . 1 1 A 59 59 THR N N 59 106.456 108.249 -1.793 2
1 473 . 1 1 A 60 60 ILE H H 60 7.294 7.539 -0.245 2
1 474 . 1 1 A 60 60 ILE HA H 60 4.095 4.268 -0.173 2
1 484 . 1 1 A 60 60 ILE N N 60 124.761 125.205 -0.444 2
1 485 . 1 1 A 61 61 PRO HA H 61 4.365 4.558 -0.193 2
1 492 . 1 1 A 62 62 ASP H H 62 8.969 8.656 0.313 2
1 493 . 1 1 A 62 62 ASP HA H 62 4.072 4.277 -0.205 2
1 496 . 1 1 A 62 62 ASP N N 62 125.215 122.377 2.838 2
1 497 . 1 1 A 63 63 GLU H H 63 9.542 8.350 1.192 2
1 498 . 1 1 A 63 63 GLU HA H 63 3.841 4.055 -0.214 2
1 503 . 1 1 A 63 63 GLU N N 63 116.092 119.828 -3.736 2
1 504 . 1 1 A 64 64 LEU H H 64 6.892 7.743 -0.851 2
1 505 . 1 1 A 64 64 LEU HA H 64 3.829 3.996 -0.167 2
1 515 . 1 1 A 64 64 LEU N N 64 116.203 120.294 -4.091 2
1 516 . 1 1 A 65 65 LYS H H 65 7.635 7.785 -0.150 2
1 517 . 1 1 A 65 65 LYS HA H 65 3.829 3.990 -0.161 2
1 526 . 1 1 A 65 65 LYS N N 65 120.789 120.215 0.574 2
1 527 . 1 1 A 66 66 ASN H H 66 8.270 7.987 0.282 2
1 528 . 1 1 A 66 66 ASN HA H 66 4.502 4.567 -0.065 2
1 533 . 1 1 A 66 66 ASN N N 66 114.881 116.831 -1.950 2
1 535 . 1 1 A 67 67 ALA H H 67 7.136 7.483 -0.347 2
1 536 . 1 1 A 67 67 ALA HA H 67 4.095 4.187 -0.092 2
1 540 . 1 1 A 67 67 ALA N N 67 120.993 119.990 1.004 2
1 541 . 1 1 A 68 68 GLY H H 68 7.654 7.952 -0.298 2
1 542 . 1 1 A 68 68 GLY HA2 H 68 3.715 3.934 -0.220 2
1 543 . 1 1 A 68 68 GLY HA3 H 68 3.714 3.941 -0.227 2
1 544 . 1 1 A 68 68 GLY N N 68 104.575 107.624 -3.049 2
1 545 . 1 1 A 69 69 LEU H H 69 8.208 8.053 0.155 2
1 546 . 1 1 A 69 69 LEU HA H 69 4.002 4.527 -0.525 2
1 556 . 1 1 A 69 69 LEU N N 69 119.478 122.669 -3.191 2
1 557 . 1 1 A 70 70 LYS H H 70 8.525 8.539 -0.014 2
1 558 . 1 1 A 70 70 LYS HA H 70 4.342 4.480 -0.138 2
1 567 . 1 1 A 70 70 LYS N N 70 120.087 125.444 -5.357 2
1 568 . 1 1 A 71 71 GLU H H 71 7.727 7.861 -0.134 2
1 569 . 1 1 A 71 71 GLU HA H 71 4.532 4.660 -0.128 2
1 574 . 1 1 A 71 71 GLU N N 71 118.339 118.643 -0.304 2
1 575 . 1 1 A 72 72 LYS H H 72 8.574 8.656 -0.082 2
1 576 . 1 1 A 72 72 LYS HA H 72 3.519 3.863 -0.344 2
1 585 . 1 1 A 72 72 LYS N N 72 122.270 125.734 -3.464 2
1 586 . 1 1 A 73 73 GLY H H 73 9.551 8.862 0.689 2
1 587 . 1 1 A 73 73 GLY HA2 H 73 4.148 3.966 0.182 2
1 588 . 1 1 A 73 73 GLY HA3 H 73 3.349 3.976 -0.627 2
1 589 . 1 1 A 73 73 GLY N N 73 114.854 114.909 -0.055 2
1 590 . 1 1 A 74 74 GLN H H 74 7.926 7.577 0.349 2
1 591 . 1 1 A 74 74 GLN HA H 74 3.979 4.532 -0.553 2
1 598 . 1 1 A 74 74 GLN N N 74 122.200 121.351 0.849 2
1 600 . 1 1 A 75 75 LEU H H 75 8.130 8.522 -0.392 2
1 601 . 1 1 A 75 75 LEU HA H 75 5.187 4.821 0.366 2
1 611 . 1 1 A 75 75 LEU N N 75 124.036 123.650 0.386 2
1 612 . 1 1 A 76 76 SER H H 76 9.245 8.835 0.410 2
1 613 . 1 1 A 76 76 SER HA H 76 4.382 4.164 0.218 2
1 616 . 1 1 A 76 76 SER N N 76 119.351 115.807 3.544 2
1 617 . 1 1 A 77 77 GLY H H 77 7.656 7.800 -0.144 2
1 618 . 1 1 A 77 77 GLY HA2 H 77 4.371 4.085 0.286 2
1 619 . 1 1 A 77 77 GLY HA3 H 77 3.611 4.095 -0.484 2
1 620 . 1 1 A 77 77 GLY N N 77 102.417 108.367 -5.949 2
1 621 . 1 1 A 78 78 VAL H H 78 8.421 9.318 -0.896 2
1 622 . 1 1 A 78 78 VAL HA H 78 3.853 4.791 -0.938 2
1 630 . 1 1 A 78 78 VAL N N 78 118.736 126.311 -7.575 2
1 631 . 1 1 A 79 79 ILE H H 79 9.387 9.768 -0.381 2
1 632 . 1 1 A 79 79 ILE HA H 79 4.210 4.772 -0.562 2
1 642 . 1 1 A 79 79 ILE N N 79 132.591 128.902 3.689 2
1 643 . 1 1 A 80 80 LYS H H 80 8.628 8.786 -0.158 2
1 644 . 1 1 A 80 80 LYS HA H 80 3.922 4.526 -0.604 2
1 653 . 1 1 A 80 80 LYS N N 80 128.368 129.399 -1.031 2
1 654 . 1 1 A 81 81 SER H H 81 7.919 8.338 -0.419 2
1 655 . 1 1 A 81 81 SER HA H 81 3.703 4.805 -1.102 2
1 658 . 1 1 A 81 81 SER N N 81 122.449 123.666 -1.217 2
1 659 . 1 1 A 82 82 SER H H 82 8.566 8.974 -0.408 2
1 660 . 1 1 A 82 82 SER HA H 82 4.019 4.106 -0.088 2
1 663 . 1 1 A 82 82 SER N N 82 117.460 119.307 -1.847 2
1 664 . 1 1 A 83 83 VAL H H 83 7.232 7.458 -0.226 2
1 665 . 1 1 A 83 83 VAL HA H 83 4.182 4.098 0.084 2
1 673 . 1 1 A 83 83 VAL N N 83 113.299 115.816 -2.517 2
1 674 . 1 1 A 84 84 GLY H H 84 7.160 7.173 -0.013 2
1 675 . 1 1 A 84 84 GLY HA2 H 84 4.194 4.005 0.189 2
1 676 . 1 1 A 84 84 GLY HA3 H 84 3.509 4.088 -0.579 2
1 677 . 1 1 A 84 84 GLY N N 84 109.922 109.007 0.915 2
1 678 . 1 1 A 85 85 PHE H H 85 8.583 8.327 0.256 2
1 679 . 1 1 A 85 85 PHE HA H 85 4.935 5.321 -0.386 2
1 687 . 1 1 A 85 85 PHE N N 85 122.045 119.981 2.064 2
1 688 . 1 1 A 86 86 LEU H H 86 9.525 9.206 0.320 2
1 689 . 1 1 A 86 86 LEU HA H 86 5.476 5.370 0.106 2
1 699 . 1 1 A 86 86 LEU N N 86 121.224 124.305 -3.081 2
1 700 . 1 1 A 87 87 ILE H H 87 8.479 9.474 -0.995 2
1 701 . 1 1 A 87 87 ILE HA H 87 4.002 5.066 -1.064 2
1 711 . 1 1 A 87 87 ILE N N 87 119.241 126.905 -7.664 2
1 712 . 1 1 A 88 88 VAL H H 88 8.838 9.283 -0.445 2
1 713 . 1 1 A 88 88 VAL HA H 88 4.935 5.170 -0.235 2
1 721 . 1 1 A 88 88 VAL N N 88 125.698 127.897 -2.199 2
1 722 . 1 1 A 89 89 ARG H H 89 9.061 9.215 -0.154 2
1 723 . 1 1 A 89 89 ARG HA H 89 5.200 4.851 0.349 2
1 731 . 1 1 A 89 89 ARG N N 89 126.677 127.330 -0.653 2
1 733 . 1 1 A 90 90 LEU H H 90 8.047 8.579 -0.532 2
1 734 . 1 1 A 90 90 LEU HA H 90 4.164 4.412 -0.248 2
1 744 . 1 1 A 90 90 LEU N N 90 127.853 127.106 0.747 2
1 745 . 1 1 A 91 91 ASP H H 91 8.569 8.830 -0.261 2
1 746 . 1 1 A 91 91 ASP HA H 91 4.491 4.501 -0.010 2
1 749 . 1 1 A 91 91 ASP N N 91 128.030 126.585 1.445 2
1 750 . 1 1 A 92 92 ASP H H 92 7.672 7.294 0.378 2
1 751 . 1 1 A 92 92 ASP HA H 92 4.555 4.972 -0.417 2
1 754 . 1 1 A 92 92 ASP N N 92 115.964 116.960 -0.996 2
1 755 . 1 1 A 93 93 ILE H H 93 8.889 8.604 0.285 2
1 756 . 1 1 A 93 93 ILE HA H 93 4.751 5.053 -0.302 2
1 766 . 1 1 A 93 93 ILE N N 93 120.472 121.879 -1.407 2
1 767 . 1 1 A 94 94 GLN H H 94 8.851 9.310 -0.459 2
1 768 . 1 1 A 94 94 GLN HA H 94 4.422 4.849 -0.427 2
1 775 . 1 1 A 94 94 GLN N N 94 126.658 125.460 1.198 2
1 777 . 1 1 A 95 95 ALA H H 95 8.525 8.531 -0.006 2
1 778 . 1 1 A 95 95 ALA HA H 95 4.210 4.274 -0.064 2
1 782 . 1 1 A 95 95 ALA N N 95 127.085 125.238 1.847 2
1 783 . 1 1 A 96 96 ALA H H 96 8.308 8.104 0.203 2
1 784 . 1 1 A 96 96 ALA HA H 96 4.036 3.967 0.069 2
1 788 . 1 1 A 96 96 ALA N N 96 122.992 118.857 4.135 2
1 789 . 1 1 A 97 97 HIS H H 97 8.197 8.381 -0.184 2
1 790 . 1 1 A 97 97 HIS HA H 97 4.463 4.652 -0.189 2
1 793 . 1 1 A 97 97 HIS N N 97 118.058 117.288 0.770 2
stop_
save_