data_7399_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 7399
_Entry.PDB_ID 2PJG
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 5 . 1 1 1 A 2 2 LYS H H 2 8.331 8.759 -0.428 1
1 10 . 1 1 1 A 2 2 LYS N N 2 125.285 124.342 0.943 1
1 11 . 1 1 1 A 3 3 GLU H H 3 8.659 8.181 0.478 1
1 12 . 1 1 1 A 3 3 GLU HA H 3 4.322 4.419 -0.097 1
1 17 . 1 1 1 A 3 3 GLU N N 3 125.356 117.199 8.157 1
1 18 . 1 1 1 A 4 4 CYS H H 4 8.116 7.826 0.290 1
1 19 . 1 1 1 A 4 4 CYS HA H 4 4.975 5.281 -0.306 1
1 22 . 1 1 1 A 4 4 CYS N N 4 123.773 118.536 5.237 1
1 23 . 1 1 1 A 5 5 ASP H H 5 8.776 8.841 -0.065 1
1 24 . 1 1 1 A 5 5 ASP HA H 5 4.817 4.872 -0.055 1
1 27 . 1 1 1 A 5 5 ASP N N 5 123.756 126.787 -3.031 1
1 28 . 1 1 1 A 6 6 CYS H H 6 6.975 7.335 -0.360 1
1 29 . 1 1 1 A 6 6 CYS HA H 6 4.931 4.773 0.158 1
1 32 . 1 1 1 A 6 6 CYS N N 6 116.724 118.397 -1.673 1
1 33 . 1 1 1 A 7 7 SER H H 7 9.659 8.712 0.947 1
1 34 . 1 1 1 A 7 7 SER HA H 7 4.226 4.638 -0.412 1
1 37 . 1 1 1 A 7 7 SER N N 7 123.545 121.565 1.980 1
1 38 . 1 1 1 A 8 8 SER H H 8 7.862 7.103 0.759 1
1 39 . 1 1 1 A 8 8 SER HA H 8 5.137 4.578 0.559 1
1 42 . 1 1 1 A 8 8 SER N N 8 119.712 117.821 1.891 1
1 43 . 1 1 1 A 9 9 PRO HA H 9 4.559 4.581 -0.022 1
1 50 . 1 1 1 A 10 10 GLU H H 10 8.244 8.358 -0.114 1
1 51 . 1 1 1 A 10 10 GLU HA H 10 4.294 4.645 -0.351 1
1 56 . 1 1 1 A 10 10 GLU N N 10 120.855 117.149 3.706 1
1 57 . 1 1 1 A 11 11 ASN H H 11 7.260 7.729 -0.469 1
1 58 . 1 1 1 A 11 11 ASN HA H 11 4.794 4.922 -0.128 1
1 63 . 1 1 1 A 11 11 ASN N N 11 124.776 119.207 5.569 1
1 65 . 1 1 1 A 12 12 PRO HA H 12 4.704 4.478 0.226 1
1 72 . 1 1 1 A 13 13 CYS H H 13 8.931 8.302 0.629 1
1 73 . 1 1 1 A 13 13 CYS HA H 13 4.648 4.681 -0.033 1
1 76 . 1 1 1 A 13 13 CYS N N 13 121.945 114.726 7.219 1
1 77 . 1 1 1 A 14 14 CYS H H 14 7.543 7.257 0.286 1
1 78 . 1 1 1 A 14 14 CYS HA H 14 5.056 5.604 -0.548 1
1 81 . 1 1 1 A 14 14 CYS N N 14 116.460 116.398 0.062 1
1 82 . 1 1 1 A 15 15 ASP H H 15 8.212 8.815 -0.603 1
1 83 . 1 1 1 A 15 15 ASP HA H 15 4.570 4.665 -0.095 1
1 86 . 1 1 1 A 15 15 ASP N N 15 125.197 125.171 0.026 1
1 87 . 1 1 1 A 16 16 ALA H H 16 8.996 9.046 -0.050 1
1 88 . 1 1 1 A 16 16 ALA HA H 16 4.148 4.021 0.127 1
1 92 . 1 1 1 A 16 16 ALA N N 16 135.341 128.797 6.544 1
1 93 . 1 1 1 A 17 17 ALA H H 17 8.669 7.626 1.043 1
1 94 . 1 1 1 A 17 17 ALA HA H 17 4.361 4.047 0.314 1
1 98 . 1 1 1 A 17 17 ALA N N 17 121.910 119.038 2.872 1
1 99 . 1 1 1 A 18 18 THR H H 18 7.743 7.701 0.042 1
1 100 . 1 1 1 A 18 18 THR HA H 18 4.445 4.433 0.012 1
1 105 . 1 1 1 A 18 18 THR N N 18 109.481 105.548 3.933 1
1 106 . 1 1 1 A 19 19 CYS H H 19 8.601 8.441 0.160 1
1 107 . 1 1 1 A 19 19 CYS HA H 19 4.642 4.176 0.466 1
1 110 . 1 1 1 A 19 19 CYS N N 19 123.176 119.745 3.431 1
1 111 . 1 1 1 A 20 20 LYS H H 20 7.964 7.499 0.465 1
1 112 . 1 1 1 A 20 20 LYS HA H 20 4.945 4.880 0.065 1
1 117 . 1 1 1 A 20 20 LYS N N 20 122.525 119.861 2.664 1
1 118 . 1 1 1 A 21 21 LEU H H 21 9.211 8.803 0.408 1
1 119 . 1 1 1 A 21 21 LEU HA H 21 4.285 4.664 -0.379 1
1 129 . 1 1 1 A 21 21 LEU N N 21 124.582 121.513 3.069 1
1 130 . 1 1 1 A 22 22 ARG H H 22 8.490 8.550 -0.060 1
1 131 . 1 1 1 A 22 22 ARG HA H 22 4.448 4.289 0.159 1
1 137 . 1 1 1 A 22 22 ARG N N 22 126.604 126.456 0.148 1
1 139 . 1 1 1 A 23 23 PRO HA H 23 4.389 4.519 -0.130 1
1 144 . 1 1 1 A 24 24 GLY H H 24 8.830 8.366 0.464 1
1 145 . 1 1 1 A 24 24 GLY HA2 H 24 4.295 3.886 0.409 1
1 146 . 1 1 1 A 24 24 GLY HA3 H 24 3.664 3.889 -0.225 1
1 147 . 1 1 1 A 24 24 GLY N N 24 117.708 106.164 11.544 1
1 148 . 1 1 1 A 25 25 ALA H H 25 7.942 7.806 0.136 1
1 149 . 1 1 1 A 25 25 ALA HA H 25 4.540 4.237 0.303 1
1 153 . 1 1 1 A 25 25 ALA N N 25 127.553 122.990 4.563 1
1 154 . 1 1 1 A 26 26 GLN H H 26 8.827 8.712 0.115 1
1 155 . 1 1 1 A 26 26 GLN HA H 26 4.113 4.104 0.009 1
1 162 . 1 1 1 A 26 26 GLN N N 26 122.086 118.875 3.211 1
1 164 . 1 1 1 A 27 27 CYS H H 27 7.805 7.738 0.067 1
1 165 . 1 1 1 A 27 27 CYS HA H 27 4.555 4.931 -0.376 1
1 168 . 1 1 1 A 27 27 CYS N N 27 117.409 116.320 1.089 1
1 169 . 1 1 1 A 28 28 GLY H H 28 9.163 8.777 0.386 1
1 170 . 1 1 1 A 28 28 GLY HA2 H 28 4.446 3.913 0.533 1
1 171 . 1 1 1 A 28 28 GLY HA3 H 28 3.574 3.915 -0.341 1
1 172 . 1 1 1 A 28 28 GLY N N 28 109.041 114.425 -5.384 1
1 173 . 1 1 1 A 29 29 GLU H H 29 7.844 7.837 0.007 1
1 174 . 1 1 1 A 29 29 GLU HA H 29 4.782 4.787 -0.005 1
1 179 . 1 1 1 A 29 29 GLU N N 29 122.174 115.357 6.817 1
1 180 . 1 1 1 A 30 30 GLY H H 30 8.391 8.438 -0.047 1
1 181 . 1 1 1 A 30 30 GLY HA2 H 30 4.915 4.245 0.670 1
1 182 . 1 1 1 A 30 30 GLY HA3 H 30 3.925 4.254 -0.329 1
1 183 . 1 1 1 A 30 30 GLY N N 30 112.663 107.283 5.380 1
1 184 . 1 1 1 A 31 31 LEU H H 31 8.960 8.729 0.231 1
1 185 . 1 1 1 A 31 31 LEU HA H 31 4.354 3.959 0.395 1
1 195 . 1 1 1 A 31 31 LEU N N 31 125.039 119.705 5.334 1
1 196 . 1 1 1 A 32 32 CYS H H 32 8.467 8.708 -0.241 1
1 197 . 1 1 1 A 32 32 CYS HA H 32 5.108 4.711 0.397 1
1 200 . 1 1 1 A 32 32 CYS N N 32 119.167 113.873 5.294 1
1 201 . 1 1 1 A 33 33 CYS H H 33 7.365 7.554 -0.189 1
1 202 . 1 1 1 A 33 33 CYS HA H 33 5.291 5.580 -0.289 1
1 205 . 1 1 1 A 33 33 CYS N N 33 125.303 120.009 5.294 1
1 206 . 1 1 1 A 34 34 GLU H H 34 9.742 8.772 0.970 1
1 207 . 1 1 1 A 34 34 GLU HA H 34 4.682 4.731 -0.049 1
1 212 . 1 1 1 A 34 34 GLU N N 34 132.652 126.323 6.329 1
1 213 . 1 1 1 A 35 35 GLN H H 35 9.453 9.437 0.016 1
1 214 . 1 1 1 A 35 35 GLN HA H 35 3.999 3.865 0.134 1
1 219 . 1 1 1 A 35 35 GLN N N 35 129.593 120.393 9.200 1
1 221 . 1 1 1 A 36 36 CYS H H 36 8.492 8.475 0.017 1
1 222 . 1 1 1 A 36 36 CYS HA H 36 4.801 4.584 0.217 1
1 225 . 1 1 1 A 36 36 CYS N N 36 109.569 110.058 -0.489 1
1 226 . 1 1 1 A 37 37 LYS H H 37 8.024 7.700 0.324 1
1 227 . 1 1 1 A 37 37 LYS HA H 37 4.703 4.890 -0.187 1
1 236 . 1 1 1 A 37 37 LYS N N 37 125.110 119.667 5.443 1
1 237 . 1 1 1 A 38 38 PHE H H 38 8.276 8.792 -0.516 1
1 238 . 1 1 1 A 38 38 PHE HA H 38 5.141 4.560 0.581 1
1 245 . 1 1 1 A 38 38 PHE N N 38 123.897 120.709 3.188 1
1 246 . 1 1 1 A 39 39 SER H H 39 9.044 8.784 0.260 1
1 247 . 1 1 1 A 39 39 SER HA H 39 4.274 4.557 -0.283 1
1 250 . 1 1 1 A 39 39 SER N N 39 125.655 119.301 6.354 1
1 251 . 1 1 1 A 40 40 ARG H H 40 8.573 8.515 0.058 1
1 252 . 1 1 1 A 40 40 ARG HA H 40 4.101 4.672 -0.571 1
1 259 . 1 1 1 A 40 40 ARG N N 40 125.848 121.110 4.738 1
1 260 . 1 1 1 A 41 41 ALA H H 41 8.501 8.510 -0.009 1
1 261 . 1 1 1 A 41 41 ALA HA H 41 3.724 4.474 -0.750 1
1 265 . 1 1 1 A 41 41 ALA N N 41 127.729 125.484 2.245 1
1 266 . 1 1 1 A 42 42 GLY H H 42 8.619 8.397 0.222 1
1 267 . 1 1 1 A 42 42 GLY HA2 H 42 4.486 3.869 0.617 1
1 268 . 1 1 1 A 42 42 GLY HA3 H 42 3.587 3.871 -0.284 1
1 269 . 1 1 1 A 42 42 GLY N N 42 114.579 109.208 5.371 1
1 270 . 1 1 1 A 43 43 LYS H H 43 7.535 7.238 0.297 1
1 271 . 1 1 1 A 43 43 LYS HA H 43 4.149 4.667 -0.518 1
1 280 . 1 1 1 A 43 43 LYS N N 43 126.780 120.777 6.003 1
1 281 . 1 1 1 A 44 44 ILE H H 44 8.810 8.583 0.227 1
1 282 . 1 1 1 A 44 44 ILE HA H 44 4.167 4.743 -0.576 1
1 290 . 1 1 1 A 44 44 ILE N N 44 133.179 126.609 6.570 1
1 291 . 1 1 1 A 45 45 CYS H H 45 9.355 9.827 -0.472 1
1 292 . 1 1 1 A 45 45 CYS HA H 45 5.160 4.764 0.396 1
1 295 . 1 1 1 A 45 45 CYS N N 45 127.500 125.477 2.023 1
1 296 . 1 1 1 A 46 46 ARG H H 46 7.675 7.556 0.119 1
1 297 . 1 1 1 A 46 46 ARG HA H 46 4.469 4.833 -0.364 1
1 304 . 1 1 1 A 46 46 ARG N N 46 126.375 119.073 7.302 1
1 305 . 1 1 1 A 47 47 ILE H H 47 8.400 9.009 -0.609 1
1 306 . 1 1 1 A 47 47 ILE HA H 47 4.663 4.831 -0.168 1
1 316 . 1 1 1 A 47 47 ILE N N 47 129.510 123.383 6.127 1
1 317 . 1 1 1 A 48 48 PRO HA H 48 4.491 4.792 -0.301 1
1 324 . 1 1 1 A 49 49 ARG H H 49 8.331 8.574 -0.243 1
1 325 . 1 1 1 A 49 49 ARG HA H 49 4.398 4.667 -0.269 1
1 332 . 1 1 1 A 49 49 ARG N N 49 122.965 123.121 -0.156 1
1 333 . 1 1 1 A 50 50 GLY H H 50 8.426 8.346 0.080 1
1 334 . 1 1 1 A 50 50 GLY HA2 H 50 3.958 3.969 -0.011 1
1 335 . 1 1 1 A 50 50 GLY HA3 H 50 3.915 3.969 -0.054 1
1 336 . 1 1 1 A 50 50 GLY N N 50 114.157 113.617 0.540 1
1 337 . 1 1 1 A 51 51 GLU H H 51 8.753 7.905 0.848 1
1 338 . 1 1 1 A 51 51 GLU HA H 51 4.345 4.611 -0.266 1
1 343 . 1 1 1 A 51 51 GLU N N 51 125.370 117.588 7.782 1
1 344 . 1 1 1 A 52 52 MET H H 52 7.745 8.476 -0.731 1
1 345 . 1 1 1 A 52 52 MET HA H 52 4.839 4.875 -0.036 1
1 350 . 1 1 1 A 52 52 MET N N 52 125.080 120.562 4.518 1
1 351 . 1 1 1 A 53 53 PRO HA H 53 4.485 4.381 0.104 1
1 358 . 1 1 1 A 54 54 ASP H H 54 8.114 8.270 -0.156 1
1 359 . 1 1 1 A 54 54 ASP HA H 54 4.577 4.869 -0.292 1
1 362 . 1 1 1 A 54 54 ASP N N 54 122.385 120.547 1.838 1
1 363 . 1 1 1 A 55 55 ASP H H 55 8.388 8.305 0.083 1
1 364 . 1 1 1 A 55 55 ASP HA H 55 5.052 5.233 -0.181 1
1 367 . 1 1 1 A 55 55 ASP N N 55 124.758 121.924 2.834 1
1 368 . 1 1 1 A 56 56 ARG H H 56 8.358 9.090 -0.732 1
1 369 . 1 1 1 A 56 56 ARG HA H 56 5.332 5.286 0.046 1
1 376 . 1 1 1 A 56 56 ARG N N 56 123.703 127.320 -3.617 1
1 378 . 1 1 1 A 57 57 CYS H H 57 9.377 10.066 -0.689 1
1 379 . 1 1 1 A 57 57 CYS HA H 57 4.862 4.581 0.281 1
1 382 . 1 1 1 A 57 57 CYS N N 57 123.897 125.493 -1.596 1
1 383 . 1 1 1 A 58 58 THR H H 58 10.180 8.574 1.606 1
1 384 . 1 1 1 A 58 58 THR HA H 58 4.442 4.610 -0.168 1
1 389 . 1 1 1 A 58 58 THR N N 58 117.445 115.055 2.390 1
1 390 . 1 1 1 A 59 59 GLY H H 59 8.546 7.729 0.817 1
1 391 . 1 1 1 A 59 59 GLY HA2 H 59 4.460 4.003 0.457 1
1 392 . 1 1 1 A 59 59 GLY HA3 H 59 4.460 4.015 0.445 1
1 393 . 1 1 1 A 59 59 GLY N N 59 115.880 110.884 4.996 1
1 394 . 1 1 1 A 60 60 GLN H H 60 7.986 8.353 -0.367 1
1 395 . 1 1 1 A 60 60 GLN HA H 60 4.298 4.636 -0.338 1
1 398 . 1 1 1 A 60 60 GLN N N 60 119.027 118.654 0.373 1
1 400 . 1 1 1 A 61 61 SER H H 61 6.630 7.508 -0.878 1
1 401 . 1 1 1 A 61 61 SER HA H 61 3.880 4.432 -0.552 1
1 404 . 1 1 1 A 61 61 SER N N 61 114.913 115.925 -1.012 1
1 405 . 1 1 1 A 62 62 ALA H H 62 9.027 7.987 1.040 1
1 406 . 1 1 1 A 62 62 ALA HA H 62 4.435 3.940 0.495 1
1 410 . 1 1 1 A 62 62 ALA N N 62 129.628 127.502 2.126 1
1 411 . 1 1 1 A 63 63 ASP H H 63 8.080 7.843 0.237 1
1 412 . 1 1 1 A 63 63 ASP HA H 63 4.895 4.666 0.229 1
1 415 . 1 1 1 A 63 63 ASP N N 63 121.506 115.443 6.063 1
1 416 . 1 1 1 A 64 64 CYS H H 64 8.924 8.670 0.254 1
1 417 . 1 1 1 A 64 64 CYS HA H 64 5.403 5.175 0.228 1
1 420 . 1 1 1 A 64 64 CYS N N 64 125.936 120.340 5.596 1
1 421 . 1 1 1 A 65 65 PRO HA H 65 4.375 4.597 -0.222 1
1 428 . 1 1 1 A 66 66 ARG H H 66 8.203 8.346 -0.143 1
1 429 . 1 1 1 A 66 66 ARG HA H 66 4.362 4.955 -0.593 1
1 436 . 1 1 1 A 66 66 ARG N N 66 123.580 118.271 5.309 1
1 437 . 1 1 1 A 67 67 TYR H H 67 8.650 8.975 -0.325 1
1 438 . 1 1 1 A 67 67 TYR HA H 67 4.459 4.647 -0.188 1
1 445 . 1 1 1 A 67 67 TYR N N 67 128.872 120.679 8.193 1
1 5 . 2 1 1 A 2 2 LYS H H 2 8.331 8.193 0.138 1
1 10 . 2 1 1 A 2 2 LYS N N 2 125.285 120.478 4.807 1
1 11 . 2 1 1 A 3 3 GLU H H 3 8.659 7.890 0.769 1
1 12 . 2 1 1 A 3 3 GLU HA H 3 4.322 4.438 -0.116 1
1 17 . 2 1 1 A 3 3 GLU N N 3 125.356 116.602 8.754 1
1 18 . 2 1 1 A 4 4 CYS H H 4 8.116 7.700 0.416 1
1 19 . 2 1 1 A 4 4 CYS HA H 4 4.975 5.461 -0.486 1
1 22 . 2 1 1 A 4 4 CYS N N 4 123.773 118.623 5.150 1
1 23 . 2 1 1 A 5 5 ASP H H 5 8.776 9.995 -1.219 1
1 24 . 2 1 1 A 5 5 ASP HA H 5 4.817 4.991 -0.174 1
1 27 . 2 1 1 A 5 5 ASP N N 5 123.756 125.324 -1.568 1
1 28 . 2 1 1 A 6 6 CYS H H 6 6.975 7.359 -0.384 1
1 29 . 2 1 1 A 6 6 CYS HA H 6 4.931 4.798 0.133 1
1 32 . 2 1 1 A 6 6 CYS N N 6 116.724 118.315 -1.591 1
1 33 . 2 1 1 A 7 7 SER H H 7 9.659 8.595 1.064 1
1 34 . 2 1 1 A 7 7 SER HA H 7 4.226 4.551 -0.325 1
1 37 . 2 1 1 A 7 7 SER N N 7 123.545 121.204 2.341 1
1 38 . 2 1 1 A 8 8 SER H H 8 7.862 7.335 0.527 1
1 39 . 2 1 1 A 8 8 SER HA H 8 5.137 4.556 0.581 1
1 42 . 2 1 1 A 8 8 SER N N 8 119.712 115.041 4.671 1
1 43 . 2 1 1 A 9 9 PRO HA H 9 4.559 4.437 0.122 1
1 50 . 2 1 1 A 10 10 GLU H H 10 8.244 8.847 -0.603 1
1 51 . 2 1 1 A 10 10 GLU HA H 10 4.294 4.145 0.149 1
1 56 . 2 1 1 A 10 10 GLU N N 10 120.855 117.038 3.817 1
1 57 . 2 1 1 A 11 11 ASN H H 11 7.260 7.817 -0.557 1
1 58 . 2 1 1 A 11 11 ASN HA H 11 4.794 4.901 -0.107 1
1 63 . 2 1 1 A 11 11 ASN N N 11 124.776 121.688 3.088 1
1 65 . 2 1 1 A 12 12 PRO HA H 12 4.704 4.395 0.309 1
1 72 . 2 1 1 A 13 13 CYS H H 13 8.931 8.772 0.159 1
1 73 . 2 1 1 A 13 13 CYS HA H 13 4.648 4.274 0.374 1
1 76 . 2 1 1 A 13 13 CYS N N 13 121.945 114.186 7.759 1
1 77 . 2 1 1 A 14 14 CYS H H 14 7.543 7.744 -0.201 1
1 78 . 2 1 1 A 14 14 CYS HA H 14 5.056 5.219 -0.163 1
1 81 . 2 1 1 A 14 14 CYS N N 14 116.460 115.387 1.073 1
1 82 . 2 1 1 A 15 15 ASP H H 15 8.212 9.939 -1.727 1
1 83 . 2 1 1 A 15 15 ASP HA H 15 4.570 4.830 -0.260 1
1 86 . 2 1 1 A 15 15 ASP N N 15 125.197 123.215 1.982 1
1 87 . 2 1 1 A 16 16 ALA H H 16 8.996 9.052 -0.056 1
1 88 . 2 1 1 A 16 16 ALA HA H 16 4.148 3.974 0.174 1
1 92 . 2 1 1 A 16 16 ALA N N 16 135.341 129.348 5.993 1
1 93 . 2 1 1 A 17 17 ALA H H 17 8.669 7.900 0.769 1
1 94 . 2 1 1 A 17 17 ALA HA H 17 4.361 4.067 0.294 1
1 98 . 2 1 1 A 17 17 ALA N N 17 121.910 118.862 3.048 1
1 99 . 2 1 1 A 18 18 THR H H 18 7.743 7.557 0.186 1
1 100 . 2 1 1 A 18 18 THR HA H 18 4.445 4.419 0.026 1
1 105 . 2 1 1 A 18 18 THR N N 18 109.481 106.279 3.202 1
1 106 . 2 1 1 A 19 19 CYS H H 19 8.601 8.240 0.361 1
1 107 . 2 1 1 A 19 19 CYS HA H 19 4.642 4.137 0.505 1
1 110 . 2 1 1 A 19 19 CYS N N 19 123.176 119.472 3.704 1
1 111 . 2 1 1 A 20 20 LYS H H 20 7.964 7.205 0.759 1
1 112 . 2 1 1 A 20 20 LYS HA H 20 4.945 4.896 0.049 1
1 117 . 2 1 1 A 20 20 LYS N N 20 122.525 119.799 2.726 1
1 118 . 2 1 1 A 21 21 LEU H H 21 9.211 8.825 0.386 1
1 119 . 2 1 1 A 21 21 LEU HA H 21 4.285 4.409 -0.124 1
1 129 . 2 1 1 A 21 21 LEU N N 21 124.582 122.158 2.424 1
1 130 . 2 1 1 A 22 22 ARG H H 22 8.490 8.344 0.146 1
1 131 . 2 1 1 A 22 22 ARG HA H 22 4.448 4.306 0.142 1
1 137 . 2 1 1 A 22 22 ARG N N 22 126.604 125.667 0.937 1
1 139 . 2 1 1 A 23 23 PRO HA H 23 4.389 4.533 -0.144 1
1 144 . 2 1 1 A 24 24 GLY H H 24 8.830 8.344 0.486 1
1 145 . 2 1 1 A 24 24 GLY HA2 H 24 4.295 3.918 0.377 1
1 146 . 2 1 1 A 24 24 GLY HA3 H 24 3.664 3.920 -0.256 1
1 147 . 2 1 1 A 24 24 GLY N N 24 117.708 106.151 11.557 1
1 148 . 2 1 1 A 25 25 ALA H H 25 7.942 7.793 0.149 1
1 149 . 2 1 1 A 25 25 ALA HA H 25 4.540 4.158 0.382 1
1 153 . 2 1 1 A 25 25 ALA N N 25 127.553 123.141 4.412 1
1 154 . 2 1 1 A 26 26 GLN H H 26 8.827 8.393 0.434 1
1 155 . 2 1 1 A 26 26 GLN HA H 26 4.113 3.955 0.158 1
1 162 . 2 1 1 A 26 26 GLN N N 26 122.086 118.665 3.421 1
1 164 . 2 1 1 A 27 27 CYS H H 27 7.805 7.327 0.478 1
1 165 . 2 1 1 A 27 27 CYS HA H 27 4.555 4.719 -0.164 1
1 168 . 2 1 1 A 27 27 CYS N N 27 117.409 115.598 1.811 1
1 169 . 2 1 1 A 28 28 GLY H H 28 9.163 8.686 0.477 1
1 170 . 2 1 1 A 28 28 GLY HA2 H 28 4.446 3.830 0.616 1
1 171 . 2 1 1 A 28 28 GLY HA3 H 28 3.574 3.847 -0.273 1
1 172 . 2 1 1 A 28 28 GLY N N 28 109.041 115.014 -5.973 1
1 173 . 2 1 1 A 29 29 GLU H H 29 7.844 7.675 0.169 1
1 174 . 2 1 1 A 29 29 GLU HA H 29 4.782 4.791 -0.009 1
1 179 . 2 1 1 A 29 29 GLU N N 29 122.174 117.964 4.210 1
1 180 . 2 1 1 A 30 30 GLY H H 30 8.391 8.428 -0.037 1
1 181 . 2 1 1 A 30 30 GLY HA2 H 30 4.915 4.302 0.613 1
1 182 . 2 1 1 A 30 30 GLY HA3 H 30 3.925 4.324 -0.399 1
1 183 . 2 1 1 A 30 30 GLY N N 30 112.663 111.454 1.209 1
1 184 . 2 1 1 A 31 31 LEU H H 31 8.960 8.659 0.301 1
1 185 . 2 1 1 A 31 31 LEU HA H 31 4.354 3.995 0.359 1
1 195 . 2 1 1 A 31 31 LEU N N 31 125.039 119.475 5.564 1
1 196 . 2 1 1 A 32 32 CYS H H 32 8.467 8.699 -0.232 1
1 197 . 2 1 1 A 32 32 CYS HA H 32 5.108 4.775 0.333 1
1 200 . 2 1 1 A 32 32 CYS N N 32 119.167 112.663 6.504 1
1 201 . 2 1 1 A 33 33 CYS H H 33 7.365 7.634 -0.269 1
1 202 . 2 1 1 A 33 33 CYS HA H 33 5.291 5.710 -0.419 1
1 205 . 2 1 1 A 33 33 CYS N N 33 125.303 120.446 4.857 1
1 206 . 2 1 1 A 34 34 GLU H H 34 9.742 8.858 0.884 1
1 207 . 2 1 1 A 34 34 GLU HA H 34 4.682 4.662 0.020 1
1 212 . 2 1 1 A 34 34 GLU N N 34 132.652 125.571 7.081 1
1 213 . 2 1 1 A 35 35 GLN H H 35 9.453 9.444 0.009 1
1 214 . 2 1 1 A 35 35 GLN HA H 35 3.999 3.927 0.072 1
1 219 . 2 1 1 A 35 35 GLN N N 35 129.593 124.103 5.490 1
1 221 . 2 1 1 A 36 36 CYS H H 36 8.492 8.426 0.066 1
1 222 . 2 1 1 A 36 36 CYS HA H 36 4.801 4.632 0.169 1
1 225 . 2 1 1 A 36 36 CYS N N 36 109.569 109.154 0.415 1
1 226 . 2 1 1 A 37 37 LYS H H 37 8.024 7.537 0.487 1
1 227 . 2 1 1 A 37 37 LYS HA H 37 4.703 4.652 0.051 1
1 236 . 2 1 1 A 37 37 LYS N N 37 125.110 119.277 5.833 1
1 237 . 2 1 1 A 38 38 PHE H H 38 8.276 8.474 -0.198 1
1 238 . 2 1 1 A 38 38 PHE HA H 38 5.141 4.522 0.619 1
1 245 . 2 1 1 A 38 38 PHE N N 38 123.897 120.535 3.362 1
1 246 . 2 1 1 A 39 39 SER H H 39 9.044 9.394 -0.350 1
1 247 . 2 1 1 A 39 39 SER HA H 39 4.274 4.533 -0.259 1
1 250 . 2 1 1 A 39 39 SER N N 39 125.655 119.726 5.929 1
1 251 . 2 1 1 A 40 40 ARG H H 40 8.573 8.675 -0.102 1
1 252 . 2 1 1 A 40 40 ARG HA H 40 4.101 4.740 -0.639 1
1 259 . 2 1 1 A 40 40 ARG N N 40 125.848 120.071 5.777 1
1 260 . 2 1 1 A 41 41 ALA H H 41 8.501 8.573 -0.072 1
1 261 . 2 1 1 A 41 41 ALA HA H 41 3.724 4.530 -0.806 1
1 265 . 2 1 1 A 41 41 ALA N N 41 127.729 125.212 2.517 1
1 266 . 2 1 1 A 42 42 GLY H H 42 8.619 8.596 0.023 1
1 267 . 2 1 1 A 42 42 GLY HA2 H 42 4.486 3.855 0.631 1
1 268 . 2 1 1 A 42 42 GLY HA3 H 42 3.587 3.856 -0.269 1
1 269 . 2 1 1 A 42 42 GLY N N 42 114.579 109.418 5.161 1
1 270 . 2 1 1 A 43 43 LYS H H 43 7.535 7.245 0.290 1
1 271 . 2 1 1 A 43 43 LYS HA H 43 4.149 4.663 -0.514 1
1 280 . 2 1 1 A 43 43 LYS N N 43 126.780 120.515 6.265 1
1 281 . 2 1 1 A 44 44 ILE H H 44 8.810 8.468 0.342 1
1 282 . 2 1 1 A 44 44 ILE HA H 44 4.167 4.644 -0.477 1
1 290 . 2 1 1 A 44 44 ILE N N 44 133.179 126.320 6.859 1
1 291 . 2 1 1 A 45 45 CYS H H 45 9.355 10.186 -0.831 1
1 292 . 2 1 1 A 45 45 CYS HA H 45 5.160 4.788 0.372 1
1 295 . 2 1 1 A 45 45 CYS N N 45 127.500 125.702 1.798 1
1 296 . 2 1 1 A 46 46 ARG H H 46 7.675 7.529 0.146 1
1 297 . 2 1 1 A 46 46 ARG HA H 46 4.469 4.702 -0.233 1
1 304 . 2 1 1 A 46 46 ARG N N 46 126.375 120.462 5.913 1
1 305 . 2 1 1 A 47 47 ILE H H 47 8.400 8.519 -0.119 1
1 306 . 2 1 1 A 47 47 ILE HA H 47 4.663 4.192 0.471 1
1 316 . 2 1 1 A 47 47 ILE N N 47 129.510 127.313 2.197 1
1 317 . 2 1 1 A 48 48 PRO HA H 48 4.491 5.240 -0.749 1
1 324 . 2 1 1 A 49 49 ARG H H 49 8.331 9.042 -0.711 1
1 325 . 2 1 1 A 49 49 ARG HA H 49 4.398 4.501 -0.103 1
1 332 . 2 1 1 A 49 49 ARG N N 49 122.965 122.432 0.533 1
1 333 . 2 1 1 A 50 50 GLY H H 50 8.426 7.521 0.905 1
1 334 . 2 1 1 A 50 50 GLY HA2 H 50 3.958 4.053 -0.095 1
1 335 . 2 1 1 A 50 50 GLY HA3 H 50 3.915 4.055 -0.140 1
1 336 . 2 1 1 A 50 50 GLY N N 50 114.157 107.920 6.237 1
1 337 . 2 1 1 A 51 51 GLU H H 51 8.753 8.793 -0.040 1
1 338 . 2 1 1 A 51 51 GLU HA H 51 4.345 4.151 0.194 1
1 343 . 2 1 1 A 51 51 GLU N N 51 125.370 126.698 -1.328 1
1 344 . 2 1 1 A 52 52 MET H H 52 7.745 7.662 0.083 1
1 345 . 2 1 1 A 52 52 MET HA H 52 4.839 4.766 0.073 1
1 350 . 2 1 1 A 52 52 MET N N 52 125.080 120.466 4.614 1
1 351 . 2 1 1 A 53 53 PRO HA H 53 4.485 4.512 -0.027 1
1 358 . 2 1 1 A 54 54 ASP H H 54 8.114 8.298 -0.184 1
1 359 . 2 1 1 A 54 54 ASP HA H 54 4.577 4.504 0.073 1
1 362 . 2 1 1 A 54 54 ASP N N 54 122.385 121.713 0.672 1
1 363 . 2 1 1 A 55 55 ASP H H 55 8.388 8.733 -0.345 1
1 364 . 2 1 1 A 55 55 ASP HA H 55 5.052 5.336 -0.284 1
1 367 . 2 1 1 A 55 55 ASP N N 55 124.758 120.859 3.899 1
1 368 . 2 1 1 A 56 56 ARG H H 56 8.358 9.059 -0.701 1
1 369 . 2 1 1 A 56 56 ARG HA H 56 5.332 5.294 0.038 1
1 376 . 2 1 1 A 56 56 ARG N N 56 123.703 123.954 -0.251 1
1 378 . 2 1 1 A 57 57 CYS H H 57 9.377 9.725 -0.348 1
1 379 . 2 1 1 A 57 57 CYS HA H 57 4.862 4.697 0.165 1
1 382 . 2 1 1 A 57 57 CYS N N 57 123.897 123.340 0.557 1
1 383 . 2 1 1 A 58 58 THR H H 58 10.180 8.526 1.654 1
1 384 . 2 1 1 A 58 58 THR HA H 58 4.442 4.588 -0.146 1
1 389 . 2 1 1 A 58 58 THR N N 58 117.445 115.048 2.397 1
1 390 . 2 1 1 A 59 59 GLY H H 59 8.546 7.897 0.649 1
1 391 . 2 1 1 A 59 59 GLY HA2 H 59 4.460 3.985 0.475 1
1 392 . 2 1 1 A 59 59 GLY HA3 H 59 4.460 4.000 0.460 1
1 393 . 2 1 1 A 59 59 GLY N N 59 115.880 110.129 5.751 1
1 394 . 2 1 1 A 60 60 GLN H H 60 7.986 7.685 0.301 1
1 395 . 2 1 1 A 60 60 GLN HA H 60 4.298 4.258 0.040 1
1 398 . 2 1 1 A 60 60 GLN N N 60 119.027 117.791 1.236 1
1 400 . 2 1 1 A 61 61 SER H H 61 6.630 7.038 -0.408 1
1 401 . 2 1 1 A 61 61 SER HA H 61 3.880 4.341 -0.461 1
1 404 . 2 1 1 A 61 61 SER N N 61 114.913 116.087 -1.174 1
1 405 . 2 1 1 A 62 62 ALA H H 62 9.027 8.700 0.327 1
1 406 . 2 1 1 A 62 62 ALA HA H 62 4.435 4.444 -0.009 1
1 410 . 2 1 1 A 62 62 ALA N N 62 129.628 127.014 2.614 1
1 411 . 2 1 1 A 63 63 ASP H H 63 8.080 7.961 0.119 1
1 412 . 2 1 1 A 63 63 ASP HA H 63 4.895 4.738 0.157 1
1 415 . 2 1 1 A 63 63 ASP N N 63 121.506 115.566 5.940 1
1 416 . 2 1 1 A 64 64 CYS H H 64 8.924 8.602 0.322 1
1 417 . 2 1 1 A 64 64 CYS HA H 64 5.403 5.209 0.194 1
1 420 . 2 1 1 A 64 64 CYS N N 64 125.936 118.630 7.306 1
1 421 . 2 1 1 A 65 65 PRO HA H 65 4.375 4.536 -0.161 1
1 428 . 2 1 1 A 66 66 ARG H H 66 8.203 8.394 -0.191 1
1 429 . 2 1 1 A 66 66 ARG HA H 66 4.362 5.011 -0.649 1
1 436 . 2 1 1 A 66 66 ARG N N 66 123.580 117.907 5.673 1
1 437 . 2 1 1 A 67 67 TYR H H 67 8.650 8.865 -0.215 1
1 438 . 2 1 1 A 67 67 TYR HA H 67 4.459 4.398 0.061 1
1 445 . 2 1 1 A 67 67 TYR N N 67 128.872 120.980 7.892 1
1 5 . 3 1 1 A 2 2 LYS H H 2 8.331 8.337 -0.006 1
1 10 . 3 1 1 A 2 2 LYS N N 2 125.285 119.825 5.460 1
1 11 . 3 1 1 A 3 3 GLU H H 3 8.659 8.073 0.586 1
1 12 . 3 1 1 A 3 3 GLU HA H 3 4.322 4.301 0.021 1
1 17 . 3 1 1 A 3 3 GLU N N 3 125.356 121.308 4.048 1
1 18 . 3 1 1 A 4 4 CYS H H 4 8.116 7.673 0.443 1
1 19 . 3 1 1 A 4 4 CYS HA H 4 4.975 5.662 -0.687 1
1 22 . 3 1 1 A 4 4 CYS N N 4 123.773 118.861 4.912 1
1 23 . 3 1 1 A 5 5 ASP H H 5 8.776 9.321 -0.545 1
1 24 . 3 1 1 A 5 5 ASP HA H 5 4.817 4.819 -0.002 1
1 27 . 3 1 1 A 5 5 ASP N N 5 123.756 124.517 -0.761 1
1 28 . 3 1 1 A 6 6 CYS H H 6 6.975 7.473 -0.498 1
1 29 . 3 1 1 A 6 6 CYS HA H 6 4.931 4.779 0.152 1
1 32 . 3 1 1 A 6 6 CYS N N 6 116.724 113.782 2.942 1
1 33 . 3 1 1 A 7 7 SER H H 7 9.659 8.781 0.878 1
1 34 . 3 1 1 A 7 7 SER HA H 7 4.226 4.567 -0.341 1
1 37 . 3 1 1 A 7 7 SER N N 7 123.545 116.638 6.907 1
1 38 . 3 1 1 A 8 8 SER H H 8 7.862 7.656 0.206 1
1 39 . 3 1 1 A 8 8 SER HA H 8 5.137 4.701 0.436 1
1 42 . 3 1 1 A 8 8 SER N N 8 119.712 118.681 1.031 1
1 43 . 3 1 1 A 9 9 PRO HA H 9 4.559 4.592 -0.033 1
1 50 . 3 1 1 A 10 10 GLU H H 10 8.244 8.507 -0.263 1
1 51 . 3 1 1 A 10 10 GLU HA H 10 4.294 4.309 -0.015 1
1 56 . 3 1 1 A 10 10 GLU N N 10 120.855 115.865 4.990 1
1 57 . 3 1 1 A 11 11 ASN H H 11 7.260 7.521 -0.261 1
1 58 . 3 1 1 A 11 11 ASN HA H 11 4.794 4.658 0.136 1
1 63 . 3 1 1 A 11 11 ASN N N 11 124.776 119.949 4.827 1
1 65 . 3 1 1 A 12 12 PRO HA H 12 4.704 4.494 0.210 1
1 72 . 3 1 1 A 13 13 CYS H H 13 8.931 8.219 0.712 1
1 73 . 3 1 1 A 13 13 CYS HA H 13 4.648 4.653 -0.005 1
1 76 . 3 1 1 A 13 13 CYS N N 13 121.945 115.118 6.827 1
1 77 . 3 1 1 A 14 14 CYS H H 14 7.543 7.288 0.255 1
1 78 . 3 1 1 A 14 14 CYS HA H 14 5.056 5.124 -0.068 1
1 81 . 3 1 1 A 14 14 CYS N N 14 116.460 116.437 0.023 1
1 82 . 3 1 1 A 15 15 ASP H H 15 8.212 9.429 -1.217 1
1 83 . 3 1 1 A 15 15 ASP HA H 15 4.570 4.638 -0.068 1
1 86 . 3 1 1 A 15 15 ASP N N 15 125.197 123.835 1.362 1
1 87 . 3 1 1 A 16 16 ALA H H 16 8.996 9.131 -0.135 1
1 88 . 3 1 1 A 16 16 ALA HA H 16 4.148 4.096 0.052 1
1 92 . 3 1 1 A 16 16 ALA N N 16 135.341 128.847 6.494 1
1 93 . 3 1 1 A 17 17 ALA H H 17 8.669 7.876 0.793 1
1 94 . 3 1 1 A 17 17 ALA HA H 17 4.361 4.089 0.272 1
1 98 . 3 1 1 A 17 17 ALA N N 17 121.910 119.993 1.917 1
1 99 . 3 1 1 A 18 18 THR H H 18 7.743 7.780 -0.037 1
1 100 . 3 1 1 A 18 18 THR HA H 18 4.445 4.409 0.036 1
1 105 . 3 1 1 A 18 18 THR N N 18 109.481 109.644 -0.163 1
1 106 . 3 1 1 A 19 19 CYS H H 19 8.601 7.910 0.691 1
1 107 . 3 1 1 A 19 19 CYS HA H 19 4.642 4.132 0.510 1
1 110 . 3 1 1 A 19 19 CYS N N 19 123.176 120.063 3.113 1
1 111 . 3 1 1 A 20 20 LYS H H 20 7.964 7.156 0.808 1
1 112 . 3 1 1 A 20 20 LYS HA H 20 4.945 4.897 0.048 1
1 117 . 3 1 1 A 20 20 LYS N N 20 122.525 119.626 2.899 1
1 118 . 3 1 1 A 21 21 LEU H H 21 9.211 8.780 0.431 1
1 119 . 3 1 1 A 21 21 LEU HA H 21 4.285 4.515 -0.230 1
1 129 . 3 1 1 A 21 21 LEU N N 21 124.582 121.591 2.991 1
1 130 . 3 1 1 A 22 22 ARG H H 22 8.490 8.347 0.143 1
1 131 . 3 1 1 A 22 22 ARG HA H 22 4.448 4.335 0.113 1
1 137 . 3 1 1 A 22 22 ARG N N 22 126.604 124.754 1.850 1
1 139 . 3 1 1 A 23 23 PRO HA H 23 4.389 4.490 -0.101 1
1 144 . 3 1 1 A 24 24 GLY H H 24 8.830 8.334 0.496 1
1 145 . 3 1 1 A 24 24 GLY HA2 H 24 4.295 3.920 0.375 1
1 146 . 3 1 1 A 24 24 GLY HA3 H 24 3.664 3.922 -0.258 1
1 147 . 3 1 1 A 24 24 GLY N N 24 117.708 106.396 11.312 1
1 148 . 3 1 1 A 25 25 ALA H H 25 7.942 7.707 0.235 1
1 149 . 3 1 1 A 25 25 ALA HA H 25 4.540 4.166 0.374 1
1 153 . 3 1 1 A 25 25 ALA N N 25 127.553 123.243 4.310 1
1 154 . 3 1 1 A 26 26 GLN H H 26 8.827 8.649 0.178 1
1 155 . 3 1 1 A 26 26 GLN HA H 26 4.113 3.964 0.149 1
1 162 . 3 1 1 A 26 26 GLN N N 26 122.086 120.850 1.236 1
1 164 . 3 1 1 A 27 27 CYS H H 27 7.805 7.303 0.502 1
1 165 . 3 1 1 A 27 27 CYS HA H 27 4.555 4.595 -0.040 1
1 168 . 3 1 1 A 27 27 CYS N N 27 117.409 112.769 4.640 1
1 169 . 3 1 1 A 28 28 GLY H H 28 9.163 8.568 0.595 1
1 170 . 3 1 1 A 28 28 GLY HA2 H 28 4.446 3.890 0.556 1
1 171 . 3 1 1 A 28 28 GLY HA3 H 28 3.574 3.905 -0.331 1
1 172 . 3 1 1 A 28 28 GLY N N 28 109.041 109.574 -0.533 1
1 173 . 3 1 1 A 29 29 GLU H H 29 7.844 7.798 0.046 1
1 174 . 3 1 1 A 29 29 GLU HA H 29 4.782 4.687 0.095 1
1 179 . 3 1 1 A 29 29 GLU N N 29 122.174 115.210 6.964 1
1 180 . 3 1 1 A 30 30 GLY H H 30 8.391 8.422 -0.031 1
1 181 . 3 1 1 A 30 30 GLY HA2 H 30 4.915 4.284 0.631 1
1 182 . 3 1 1 A 30 30 GLY HA3 H 30 3.925 4.303 -0.378 1
1 183 . 3 1 1 A 30 30 GLY N N 30 112.663 107.575 5.088 1
1 184 . 3 1 1 A 31 31 LEU H H 31 8.960 8.569 0.391 1
1 185 . 3 1 1 A 31 31 LEU HA H 31 4.354 4.114 0.240 1
1 195 . 3 1 1 A 31 31 LEU N N 31 125.039 119.483 5.556 1
1 196 . 3 1 1 A 32 32 CYS H H 32 8.467 8.672 -0.205 1
1 197 . 3 1 1 A 32 32 CYS HA H 32 5.108 4.804 0.304 1
1 200 . 3 1 1 A 32 32 CYS N N 32 119.167 115.620 3.547 1
1 201 . 3 1 1 A 33 33 CYS H H 33 7.365 7.944 -0.579 1
1 202 . 3 1 1 A 33 33 CYS HA H 33 5.291 5.577 -0.286 1
1 205 . 3 1 1 A 33 33 CYS N N 33 125.303 119.870 5.433 1
1 206 . 3 1 1 A 34 34 GLU H H 34 9.742 8.636 1.106 1
1 207 . 3 1 1 A 34 34 GLU HA H 34 4.682 4.756 -0.074 1
1 212 . 3 1 1 A 34 34 GLU N N 34 132.652 125.638 7.014 1
1 213 . 3 1 1 A 35 35 GLN H H 35 9.453 9.443 0.010 1
1 214 . 3 1 1 A 35 35 GLN HA H 35 3.999 3.905 0.094 1
1 219 . 3 1 1 A 35 35 GLN N N 35 129.593 125.944 3.649 1
1 221 . 3 1 1 A 36 36 CYS H H 36 8.492 8.401 0.091 1
1 222 . 3 1 1 A 36 36 CYS HA H 36 4.801 4.418 0.383 1
1 225 . 3 1 1 A 36 36 CYS N N 36 109.569 109.263 0.306 1
1 226 . 3 1 1 A 37 37 LYS H H 37 8.024 7.222 0.802 1
1 227 . 3 1 1 A 37 37 LYS HA H 37 4.703 4.659 0.044 1
1 236 . 3 1 1 A 37 37 LYS N N 37 125.110 119.402 5.708 1
1 237 . 3 1 1 A 38 38 PHE H H 38 8.276 8.371 -0.095 1
1 238 . 3 1 1 A 38 38 PHE HA H 38 5.141 4.567 0.574 1
1 245 . 3 1 1 A 38 38 PHE N N 38 123.897 120.725 3.172 1
1 246 . 3 1 1 A 39 39 SER H H 39 9.044 8.582 0.462 1
1 247 . 3 1 1 A 39 39 SER HA H 39 4.274 4.566 -0.292 1
1 250 . 3 1 1 A 39 39 SER N N 39 125.655 119.971 5.684 1
1 251 . 3 1 1 A 40 40 ARG H H 40 8.573 8.562 0.011 1
1 252 . 3 1 1 A 40 40 ARG HA H 40 4.101 4.737 -0.636 1
1 259 . 3 1 1 A 40 40 ARG N N 40 125.848 120.126 5.722 1
1 260 . 3 1 1 A 41 41 ALA H H 41 8.501 8.532 -0.031 1
1 261 . 3 1 1 A 41 41 ALA HA H 41 3.724 4.514 -0.790 1
1 265 . 3 1 1 A 41 41 ALA N N 41 127.729 124.862 2.867 1
1 266 . 3 1 1 A 42 42 GLY H H 42 8.619 8.773 -0.154 1
1 267 . 3 1 1 A 42 42 GLY HA2 H 42 4.486 3.853 0.633 1
1 268 . 3 1 1 A 42 42 GLY HA3 H 42 3.587 3.855 -0.268 1
1 269 . 3 1 1 A 42 42 GLY N N 42 114.579 109.190 5.389 1
1 270 . 3 1 1 A 43 43 LYS H H 43 7.535 7.322 0.213 1
1 271 . 3 1 1 A 43 43 LYS HA H 43 4.149 4.611 -0.462 1
1 280 . 3 1 1 A 43 43 LYS N N 43 126.780 121.006 5.774 1
1 281 . 3 1 1 A 44 44 ILE H H 44 8.810 8.956 -0.146 1
1 282 . 3 1 1 A 44 44 ILE HA H 44 4.167 4.474 -0.307 1
1 290 . 3 1 1 A 44 44 ILE N N 44 133.179 126.730 6.449 1
1 291 . 3 1 1 A 45 45 CYS H H 45 9.355 8.889 0.466 1
1 292 . 3 1 1 A 45 45 CYS HA H 45 5.160 4.783 0.377 1
1 295 . 3 1 1 A 45 45 CYS N N 45 127.500 123.482 4.018 1
1 296 . 3 1 1 A 46 46 ARG H H 46 7.675 7.540 0.135 1
1 297 . 3 1 1 A 46 46 ARG HA H 46 4.469 4.692 -0.223 1
1 304 . 3 1 1 A 46 46 ARG N N 46 126.375 119.059 7.316 1
1 305 . 3 1 1 A 47 47 ILE H H 47 8.400 8.924 -0.524 1
1 306 . 3 1 1 A 47 47 ILE HA H 47 4.663 4.624 0.039 1
1 316 . 3 1 1 A 47 47 ILE N N 47 129.510 123.376 6.134 1
1 317 . 3 1 1 A 48 48 PRO HA H 48 4.491 4.817 -0.326 1
1 324 . 3 1 1 A 49 49 ARG H H 49 8.331 8.667 -0.336 1
1 325 . 3 1 1 A 49 49 ARG HA H 49 4.398 4.518 -0.120 1
1 332 . 3 1 1 A 49 49 ARG N N 49 122.965 120.672 2.293 1
1 333 . 3 1 1 A 50 50 GLY H H 50 8.426 7.516 0.910 1
1 334 . 3 1 1 A 50 50 GLY HA2 H 50 3.958 4.116 -0.158 1
1 335 . 3 1 1 A 50 50 GLY HA3 H 50 3.915 4.116 -0.201 1
1 336 . 3 1 1 A 50 50 GLY N N 50 114.157 107.546 6.611 1
1 337 . 3 1 1 A 51 51 GLU H H 51 8.753 9.018 -0.265 1
1 338 . 3 1 1 A 51 51 GLU HA H 51 4.345 3.854 0.491 1
1 343 . 3 1 1 A 51 51 GLU N N 51 125.370 123.192 2.178 1
1 344 . 3 1 1 A 52 52 MET H H 52 7.745 7.634 0.111 1
1 345 . 3 1 1 A 52 52 MET HA H 52 4.839 5.018 -0.179 1
1 350 . 3 1 1 A 52 52 MET N N 52 125.080 117.509 7.571 1
1 351 . 3 1 1 A 53 53 PRO HA H 53 4.485 4.666 -0.181 1
1 358 . 3 1 1 A 54 54 ASP H H 54 8.114 8.446 -0.332 1
1 359 . 3 1 1 A 54 54 ASP HA H 54 4.577 5.240 -0.663 1
1 362 . 3 1 1 A 54 54 ASP N N 54 122.385 119.859 2.526 1
1 363 . 3 1 1 A 55 55 ASP H H 55 8.388 8.929 -0.541 1
1 364 . 3 1 1 A 55 55 ASP HA H 55 5.052 5.445 -0.393 1
1 367 . 3 1 1 A 55 55 ASP N N 55 124.758 119.973 4.785 1
1 368 . 3 1 1 A 56 56 ARG H H 56 8.358 8.947 -0.589 1
1 369 . 3 1 1 A 56 56 ARG HA H 56 5.332 5.305 0.027 1
1 376 . 3 1 1 A 56 56 ARG N N 56 123.703 122.752 0.951 1
1 378 . 3 1 1 A 57 57 CYS H H 57 9.377 9.800 -0.423 1
1 379 . 3 1 1 A 57 57 CYS HA H 57 4.862 4.572 0.290 1
1 382 . 3 1 1 A 57 57 CYS N N 57 123.897 124.301 -0.404 1
1 383 . 3 1 1 A 58 58 THR H H 58 10.180 8.512 1.668 1
1 384 . 3 1 1 A 58 58 THR HA H 58 4.442 4.568 -0.126 1
1 389 . 3 1 1 A 58 58 THR N N 58 117.445 114.966 2.479 1
1 390 . 3 1 1 A 59 59 GLY H H 59 8.546 7.819 0.727 1
1 391 . 3 1 1 A 59 59 GLY HA2 H 59 4.460 3.988 0.472 1
1 392 . 3 1 1 A 59 59 GLY HA3 H 59 4.460 4.003 0.457 1
1 393 . 3 1 1 A 59 59 GLY N N 59 115.880 110.572 5.308 1
1 394 . 3 1 1 A 60 60 GLN H H 60 7.986 7.767 0.219 1
1 395 . 3 1 1 A 60 60 GLN HA H 60 4.298 4.215 0.083 1
1 398 . 3 1 1 A 60 60 GLN N N 60 119.027 118.548 0.479 1
1 400 . 3 1 1 A 61 61 SER H H 61 6.630 7.100 -0.470 1
1 401 . 3 1 1 A 61 61 SER HA H 61 3.880 4.421 -0.541 1
1 404 . 3 1 1 A 61 61 SER N N 61 114.913 114.739 0.174 1
1 405 . 3 1 1 A 62 62 ALA H H 62 9.027 8.647 0.380 1
1 406 . 3 1 1 A 62 62 ALA HA H 62 4.435 4.657 -0.222 1
1 410 . 3 1 1 A 62 62 ALA N N 62 129.628 126.611 3.017 1
1 411 . 3 1 1 A 63 63 ASP H H 63 8.080 8.032 0.048 1
1 412 . 3 1 1 A 63 63 ASP HA H 63 4.895 4.812 0.083 1
1 415 . 3 1 1 A 63 63 ASP N N 63 121.506 117.034 4.472 1
1 416 . 3 1 1 A 64 64 CYS H H 64 8.924 8.647 0.277 1
1 417 . 3 1 1 A 64 64 CYS HA H 64 5.403 5.156 0.247 1
1 420 . 3 1 1 A 64 64 CYS N N 64 125.936 119.167 6.769 1
1 421 . 3 1 1 A 65 65 PRO HA H 65 4.375 4.811 -0.436 1
1 428 . 3 1 1 A 66 66 ARG H H 66 8.203 8.701 -0.498 1
1 429 . 3 1 1 A 66 66 ARG HA H 66 4.362 4.533 -0.171 1
1 436 . 3 1 1 A 66 66 ARG N N 66 123.580 124.056 -0.476 1
1 437 . 3 1 1 A 67 67 TYR H H 67 8.650 8.125 0.525 1
1 438 . 3 1 1 A 67 67 TYR HA H 67 4.459 4.611 -0.152 1
1 445 . 3 1 1 A 67 67 TYR N N 67 128.872 119.331 9.541 1
1 5 . 4 1 1 A 2 2 LYS H H 2 8.331 8.235 0.096 1
1 10 . 4 1 1 A 2 2 LYS N N 2 125.285 125.269 0.016 1
1 11 . 4 1 1 A 3 3 GLU H H 3 8.659 8.686 -0.027 1
1 12 . 4 1 1 A 3 3 GLU HA H 3 4.322 4.620 -0.298 1
1 17 . 4 1 1 A 3 3 GLU N N 3 125.356 119.443 5.913 1
1 18 . 4 1 1 A 4 4 CYS H H 4 8.116 7.829 0.287 1
1 19 . 4 1 1 A 4 4 CYS HA H 4 4.975 5.327 -0.352 1
1 22 . 4 1 1 A 4 4 CYS N N 4 123.773 117.716 6.057 1
1 23 . 4 1 1 A 5 5 ASP H H 5 8.776 9.691 -0.915 1
1 24 . 4 1 1 A 5 5 ASP HA H 5 4.817 4.848 -0.031 1
1 27 . 4 1 1 A 5 5 ASP N N 5 123.756 125.537 -1.781 1
1 28 . 4 1 1 A 6 6 CYS H H 6 6.975 7.681 -0.706 1
1 29 . 4 1 1 A 6 6 CYS HA H 6 4.931 4.927 0.004 1
1 32 . 4 1 1 A 6 6 CYS N N 6 116.724 115.115 1.609 1
1 33 . 4 1 1 A 7 7 SER H H 7 9.659 8.745 0.914 1
1 34 . 4 1 1 A 7 7 SER HA H 7 4.226 4.678 -0.452 1
1 37 . 4 1 1 A 7 7 SER N N 7 123.545 119.845 3.700 1
1 38 . 4 1 1 A 8 8 SER H H 8 7.862 7.664 0.198 1
1 39 . 4 1 1 A 8 8 SER HA H 8 5.137 4.947 0.190 1
1 42 . 4 1 1 A 8 8 SER N N 8 119.712 116.925 2.787 1
1 43 . 4 1 1 A 9 9 PRO HA H 9 4.559 4.586 -0.027 1
1 50 . 4 1 1 A 10 10 GLU H H 10 8.244 8.491 -0.247 1
1 51 . 4 1 1 A 10 10 GLU HA H 10 4.294 4.507 -0.213 1
1 56 . 4 1 1 A 10 10 GLU N N 10 120.855 117.163 3.692 1
1 57 . 4 1 1 A 11 11 ASN H H 11 7.260 7.585 -0.325 1
1 58 . 4 1 1 A 11 11 ASN HA H 11 4.794 5.120 -0.326 1
1 63 . 4 1 1 A 11 11 ASN N N 11 124.776 119.840 4.936 1
1 65 . 4 1 1 A 12 12 PRO HA H 12 4.704 4.421 0.283 1
1 72 . 4 1 1 A 13 13 CYS H H 13 8.931 8.690 0.241 1
1 73 . 4 1 1 A 13 13 CYS HA H 13 4.648 4.279 0.369 1
1 76 . 4 1 1 A 13 13 CYS N N 13 121.945 114.917 7.028 1
1 77 . 4 1 1 A 14 14 CYS H H 14 7.543 7.578 -0.035 1
1 78 . 4 1 1 A 14 14 CYS HA H 14 5.056 5.115 -0.059 1
1 81 . 4 1 1 A 14 14 CYS N N 14 116.460 116.778 -0.318 1
1 82 . 4 1 1 A 15 15 ASP H H 15 8.212 8.845 -0.633 1
1 83 . 4 1 1 A 15 15 ASP HA H 15 4.570 4.699 -0.129 1
1 86 . 4 1 1 A 15 15 ASP N N 15 125.197 124.588 0.609 1
1 87 . 4 1 1 A 16 16 ALA H H 16 8.996 9.008 -0.012 1
1 88 . 4 1 1 A 16 16 ALA HA H 16 4.148 3.978 0.170 1
1 92 . 4 1 1 A 16 16 ALA N N 16 135.341 129.578 5.763 1
1 93 . 4 1 1 A 17 17 ALA H H 17 8.669 8.021 0.648 1
1 94 . 4 1 1 A 17 17 ALA HA H 17 4.361 4.123 0.238 1
1 98 . 4 1 1 A 17 17 ALA N N 17 121.910 119.331 2.579 1
1 99 . 4 1 1 A 18 18 THR H H 18 7.743 7.438 0.305 1
1 100 . 4 1 1 A 18 18 THR HA H 18 4.445 4.494 -0.049 1
1 105 . 4 1 1 A 18 18 THR N N 18 109.481 105.880 3.601 1
1 106 . 4 1 1 A 19 19 CYS H H 19 8.601 8.228 0.373 1
1 107 . 4 1 1 A 19 19 CYS HA H 19 4.642 4.156 0.486 1
1 110 . 4 1 1 A 19 19 CYS N N 19 123.176 119.436 3.740 1
1 111 . 4 1 1 A 20 20 LYS H H 20 7.964 7.254 0.710 1
1 112 . 4 1 1 A 20 20 LYS HA H 20 4.945 4.884 0.061 1
1 117 . 4 1 1 A 20 20 LYS N N 20 122.525 119.799 2.726 1
1 118 . 4 1 1 A 21 21 LEU H H 21 9.211 8.791 0.420 1
1 119 . 4 1 1 A 21 21 LEU HA H 21 4.285 4.437 -0.152 1
1 129 . 4 1 1 A 21 21 LEU N N 21 124.582 121.626 2.956 1
1 130 . 4 1 1 A 22 22 ARG H H 22 8.490 8.500 -0.010 1
1 131 . 4 1 1 A 22 22 ARG HA H 22 4.448 4.270 0.178 1
1 137 . 4 1 1 A 22 22 ARG N N 22 126.604 126.183 0.421 1
1 139 . 4 1 1 A 23 23 PRO HA H 23 4.389 4.482 -0.093 1
1 144 . 4 1 1 A 24 24 GLY H H 24 8.830 8.330 0.500 1
1 145 . 4 1 1 A 24 24 GLY HA2 H 24 4.295 3.861 0.434 1
1 146 . 4 1 1 A 24 24 GLY HA3 H 24 3.664 3.861 -0.197 1
1 147 . 4 1 1 A 24 24 GLY N N 24 117.708 106.328 11.380 1
1 148 . 4 1 1 A 25 25 ALA H H 25 7.942 7.819 0.123 1
1 149 . 4 1 1 A 25 25 ALA HA H 25 4.540 4.304 0.236 1
1 153 . 4 1 1 A 25 25 ALA N N 25 127.553 122.759 4.794 1
1 154 . 4 1 1 A 26 26 GLN H H 26 8.827 8.409 0.418 1
1 155 . 4 1 1 A 26 26 GLN HA H 26 4.113 4.056 0.057 1
1 162 . 4 1 1 A 26 26 GLN N N 26 122.086 120.400 1.686 1
1 164 . 4 1 1 A 27 27 CYS H H 27 7.805 7.399 0.406 1
1 165 . 4 1 1 A 27 27 CYS HA H 27 4.555 4.642 -0.087 1
1 168 . 4 1 1 A 27 27 CYS N N 27 117.409 115.481 1.928 1
1 169 . 4 1 1 A 28 28 GLY H H 28 9.163 8.448 0.715 1
1 170 . 4 1 1 A 28 28 GLY HA2 H 28 4.446 3.876 0.570 1
1 171 . 4 1 1 A 28 28 GLY HA3 H 28 3.574 3.897 -0.323 1
1 172 . 4 1 1 A 28 28 GLY N N 28 109.041 114.355 -5.314 1
1 173 . 4 1 1 A 29 29 GLU H H 29 7.844 7.394 0.450 1
1 174 . 4 1 1 A 29 29 GLU HA H 29 4.782 4.764 0.018 1
1 179 . 4 1 1 A 29 29 GLU N N 29 122.174 115.250 6.924 1
1 180 . 4 1 1 A 30 30 GLY H H 30 8.391 8.427 -0.036 1
1 181 . 4 1 1 A 30 30 GLY HA2 H 30 4.915 4.298 0.617 1
1 182 . 4 1 1 A 30 30 GLY HA3 H 30 3.925 4.316 -0.391 1
1 183 . 4 1 1 A 30 30 GLY N N 30 112.663 107.484 5.179 1
1 184 . 4 1 1 A 31 31 LEU H H 31 8.960 8.738 0.222 1
1 185 . 4 1 1 A 31 31 LEU HA H 31 4.354 3.949 0.405 1
1 195 . 4 1 1 A 31 31 LEU N N 31 125.039 119.814 5.225 1
1 196 . 4 1 1 A 32 32 CYS H H 32 8.467 8.427 0.040 1
1 197 . 4 1 1 A 32 32 CYS HA H 32 5.108 4.621 0.487 1
1 200 . 4 1 1 A 32 32 CYS N N 32 119.167 113.584 5.583 1
1 201 . 4 1 1 A 33 33 CYS H H 33 7.365 8.265 -0.900 1
1 202 . 4 1 1 A 33 33 CYS HA H 33 5.291 5.594 -0.303 1
1 205 . 4 1 1 A 33 33 CYS N N 33 125.303 122.252 3.051 1
1 206 . 4 1 1 A 34 34 GLU H H 34 9.742 8.467 1.275 1
1 207 . 4 1 1 A 34 34 GLU HA H 34 4.682 4.693 -0.011 1
1 212 . 4 1 1 A 34 34 GLU N N 34 132.652 125.355 7.297 1
1 213 . 4 1 1 A 35 35 GLN H H 35 9.453 9.488 -0.035 1
1 214 . 4 1 1 A 35 35 GLN HA H 35 3.999 3.893 0.106 1
1 219 . 4 1 1 A 35 35 GLN N N 35 129.593 123.924 5.669 1
1 221 . 4 1 1 A 36 36 CYS H H 36 8.492 8.387 0.105 1
1 222 . 4 1 1 A 36 36 CYS HA H 36 4.801 4.343 0.458 1
1 225 . 4 1 1 A 36 36 CYS N N 36 109.569 108.982 0.587 1
1 226 . 4 1 1 A 37 37 LYS H H 37 8.024 7.470 0.554 1
1 227 . 4 1 1 A 37 37 LYS HA H 37 4.703 4.558 0.145 1
1 236 . 4 1 1 A 37 37 LYS N N 37 125.110 118.513 6.597 1
1 237 . 4 1 1 A 38 38 PHE H H 38 8.276 8.456 -0.180 1
1 238 . 4 1 1 A 38 38 PHE HA H 38 5.141 4.547 0.594 1
1 245 . 4 1 1 A 38 38 PHE N N 38 123.897 120.989 2.908 1
1 246 . 4 1 1 A 39 39 SER H H 39 9.044 8.234 0.810 1
1 247 . 4 1 1 A 39 39 SER HA H 39 4.274 4.502 -0.228 1
1 250 . 4 1 1 A 39 39 SER N N 39 125.655 120.171 5.484 1
1 251 . 4 1 1 A 40 40 ARG H H 40 8.573 8.325 0.248 1
1 252 . 4 1 1 A 40 40 ARG HA H 40 4.101 4.601 -0.500 1
1 259 . 4 1 1 A 40 40 ARG N N 40 125.848 121.555 4.293 1
1 260 . 4 1 1 A 41 41 ALA H H 41 8.501 8.505 -0.004 1
1 261 . 4 1 1 A 41 41 ALA HA H 41 3.724 4.467 -0.743 1
1 265 . 4 1 1 A 41 41 ALA N N 41 127.729 123.760 3.969 1
1 266 . 4 1 1 A 42 42 GLY H H 42 8.619 8.664 -0.045 1
1 267 . 4 1 1 A 42 42 GLY HA2 H 42 4.486 3.830 0.656 1
1 268 . 4 1 1 A 42 42 GLY HA3 H 42 3.587 3.845 -0.258 1
1 269 . 4 1 1 A 42 42 GLY N N 42 114.579 109.379 5.200 1
1 270 . 4 1 1 A 43 43 LYS H H 43 7.535 7.409 0.126 1
1 271 . 4 1 1 A 43 43 LYS HA H 43 4.149 4.566 -0.417 1
1 280 . 4 1 1 A 43 43 LYS N N 43 126.780 121.487 5.293 1
1 281 . 4 1 1 A 44 44 ILE H H 44 8.810 8.429 0.381 1
1 282 . 4 1 1 A 44 44 ILE HA H 44 4.167 4.501 -0.334 1
1 290 . 4 1 1 A 44 44 ILE N N 44 133.179 126.426 6.753 1
1 291 . 4 1 1 A 45 45 CYS H H 45 9.355 9.955 -0.600 1
1 292 . 4 1 1 A 45 45 CYS HA H 45 5.160 4.797 0.363 1
1 295 . 4 1 1 A 45 45 CYS N N 45 127.500 125.503 1.997 1
1 296 . 4 1 1 A 46 46 ARG H H 46 7.675 7.565 0.110 1
1 297 . 4 1 1 A 46 46 ARG HA H 46 4.469 4.933 -0.464 1
1 304 . 4 1 1 A 46 46 ARG N N 46 126.375 120.534 5.841 1
1 305 . 4 1 1 A 47 47 ILE H H 47 8.400 9.034 -0.634 1
1 306 . 4 1 1 A 47 47 ILE HA H 47 4.663 4.657 0.006 1
1 316 . 4 1 1 A 47 47 ILE N N 47 129.510 124.198 5.312 1
1 317 . 4 1 1 A 48 48 PRO HA H 48 4.491 5.279 -0.788 1
1 324 . 4 1 1 A 49 49 ARG H H 49 8.331 8.341 -0.010 1
1 325 . 4 1 1 A 49 49 ARG HA H 49 4.398 4.356 0.042 1
1 332 . 4 1 1 A 49 49 ARG N N 49 122.965 120.603 2.362 1
1 333 . 4 1 1 A 50 50 GLY H H 50 8.426 7.719 0.707 1
1 334 . 4 1 1 A 50 50 GLY HA2 H 50 3.958 4.121 -0.163 1
1 335 . 4 1 1 A 50 50 GLY HA3 H 50 3.915 4.121 -0.206 1
1 336 . 4 1 1 A 50 50 GLY N N 50 114.157 108.326 5.831 1
1 337 . 4 1 1 A 51 51 GLU H H 51 8.753 8.533 0.220 1
1 338 . 4 1 1 A 51 51 GLU HA H 51 4.345 3.908 0.437 1
1 343 . 4 1 1 A 51 51 GLU N N 51 125.370 112.534 12.836 1
1 344 . 4 1 1 A 52 52 MET H H 52 7.745 7.801 -0.056 1
1 345 . 4 1 1 A 52 52 MET HA H 52 4.839 4.940 -0.101 1
1 350 . 4 1 1 A 52 52 MET N N 52 125.080 117.508 7.572 1
1 351 . 4 1 1 A 53 53 PRO HA H 53 4.485 4.771 -0.286 1
1 358 . 4 1 1 A 54 54 ASP H H 54 8.114 8.315 -0.201 1
1 359 . 4 1 1 A 54 54 ASP HA H 54 4.577 4.632 -0.055 1
1 362 . 4 1 1 A 54 54 ASP N N 54 122.385 122.509 -0.124 1
1 363 . 4 1 1 A 55 55 ASP H H 55 8.388 8.657 -0.269 1
1 364 . 4 1 1 A 55 55 ASP HA H 55 5.052 5.184 -0.132 1
1 367 . 4 1 1 A 55 55 ASP N N 55 124.758 118.069 6.689 1
1 368 . 4 1 1 A 56 56 ARG H H 56 8.358 8.804 -0.446 1
1 369 . 4 1 1 A 56 56 ARG HA H 56 5.332 5.266 0.066 1
1 376 . 4 1 1 A 56 56 ARG N N 56 123.703 122.368 1.335 1
1 378 . 4 1 1 A 57 57 CYS H H 57 9.377 9.689 -0.312 1
1 379 . 4 1 1 A 57 57 CYS HA H 57 4.862 4.562 0.300 1
1 382 . 4 1 1 A 57 57 CYS N N 57 123.897 123.091 0.806 1
1 383 . 4 1 1 A 58 58 THR H H 58 10.180 8.550 1.630 1
1 384 . 4 1 1 A 58 58 THR HA H 58 4.442 4.633 -0.191 1
1 389 . 4 1 1 A 58 58 THR N N 58 117.445 114.932 2.513 1
1 390 . 4 1 1 A 59 59 GLY H H 59 8.546 7.803 0.743 1
1 391 . 4 1 1 A 59 59 GLY HA2 H 59 4.460 3.994 0.466 1
1 392 . 4 1 1 A 59 59 GLY HA3 H 59 4.460 4.015 0.445 1
1 393 . 4 1 1 A 59 59 GLY N N 59 115.880 110.610 5.270 1
1 394 . 4 1 1 A 60 60 GLN H H 60 7.986 8.221 -0.235 1
1 395 . 4 1 1 A 60 60 GLN HA H 60 4.298 4.190 0.108 1
1 398 . 4 1 1 A 60 60 GLN N N 60 119.027 118.778 0.249 1
1 400 . 4 1 1 A 61 61 SER H H 61 6.630 7.639 -1.009 1
1 401 . 4 1 1 A 61 61 SER HA H 61 3.880 4.474 -0.594 1
1 404 . 4 1 1 A 61 61 SER N N 61 114.913 115.331 -0.418 1
1 405 . 4 1 1 A 62 62 ALA H H 62 9.027 8.640 0.387 1
1 406 . 4 1 1 A 62 62 ALA HA H 62 4.435 4.508 -0.073 1
1 410 . 4 1 1 A 62 62 ALA N N 62 129.628 128.048 1.580 1
1 411 . 4 1 1 A 63 63 ASP H H 63 8.080 7.940 0.140 1
1 412 . 4 1 1 A 63 63 ASP HA H 63 4.895 4.872 0.023 1
1 415 . 4 1 1 A 63 63 ASP N N 63 121.506 117.218 4.288 1
1 416 . 4 1 1 A 64 64 CYS H H 64 8.924 8.585 0.339 1
1 417 . 4 1 1 A 64 64 CYS HA H 64 5.403 5.216 0.187 1
1 420 . 4 1 1 A 64 64 CYS N N 64 125.936 119.125 6.811 1
1 421 . 4 1 1 A 65 65 PRO HA H 65 4.375 4.685 -0.310 1
1 428 . 4 1 1 A 66 66 ARG H H 66 8.203 8.439 -0.236 1
1 429 . 4 1 1 A 66 66 ARG HA H 66 4.362 4.917 -0.555 1
1 436 . 4 1 1 A 66 66 ARG N N 66 123.580 120.689 2.891 1
1 437 . 4 1 1 A 67 67 TYR H H 67 8.650 9.146 -0.496 1
1 438 . 4 1 1 A 67 67 TYR HA H 67 4.459 4.565 -0.106 1
1 445 . 4 1 1 A 67 67 TYR N N 67 128.872 126.615 2.257 1
1 5 . 5 1 1 A 2 2 LYS H H 2 8.331 7.785 0.546 1
1 10 . 5 1 1 A 2 2 LYS N N 2 125.285 120.009 5.276 1
1 11 . 5 1 1 A 3 3 GLU H H 3 8.659 8.933 -0.274 1
1 12 . 5 1 1 A 3 3 GLU HA H 3 4.322 4.533 -0.211 1
1 17 . 5 1 1 A 3 3 GLU N N 3 125.356 125.664 -0.308 1
1 18 . 5 1 1 A 4 4 CYS H H 4 8.116 7.820 0.296 1
1 19 . 5 1 1 A 4 4 CYS HA H 4 4.975 5.642 -0.667 1
1 22 . 5 1 1 A 4 4 CYS N N 4 123.773 117.449 6.324 1
1 23 . 5 1 1 A 5 5 ASP H H 5 8.776 8.615 0.161 1
1 24 . 5 1 1 A 5 5 ASP HA H 5 4.817 4.846 -0.029 1
1 27 . 5 1 1 A 5 5 ASP N N 5 123.756 127.053 -3.297 1
1 28 . 5 1 1 A 6 6 CYS H H 6 6.975 7.661 -0.686 1
1 29 . 5 1 1 A 6 6 CYS HA H 6 4.931 4.748 0.183 1
1 32 . 5 1 1 A 6 6 CYS N N 6 116.724 117.718 -0.994 1
1 33 . 5 1 1 A 7 7 SER H H 7 9.659 8.728 0.931 1
1 34 . 5 1 1 A 7 7 SER HA H 7 4.226 4.618 -0.392 1
1 37 . 5 1 1 A 7 7 SER N N 7 123.545 122.160 1.385 1
1 38 . 5 1 1 A 8 8 SER H H 8 7.862 7.217 0.645 1
1 39 . 5 1 1 A 8 8 SER HA H 8 5.137 4.799 0.338 1
1 42 . 5 1 1 A 8 8 SER N N 8 119.712 117.110 2.602 1
1 43 . 5 1 1 A 9 9 PRO HA H 9 4.559 4.451 0.108 1
1 50 . 5 1 1 A 10 10 GLU H H 10 8.244 8.713 -0.469 1
1 51 . 5 1 1 A 10 10 GLU HA H 10 4.294 4.112 0.182 1
1 56 . 5 1 1 A 10 10 GLU N N 10 120.855 116.821 4.034 1
1 57 . 5 1 1 A 11 11 ASN H H 11 7.260 7.664 -0.404 1
1 58 . 5 1 1 A 11 11 ASN HA H 11 4.794 4.794 0.000 1
1 63 . 5 1 1 A 11 11 ASN N N 11 124.776 120.128 4.648 1
1 65 . 5 1 1 A 12 12 PRO HA H 12 4.704 4.494 0.210 1
1 72 . 5 1 1 A 13 13 CYS H H 13 8.931 8.355 0.576 1
1 73 . 5 1 1 A 13 13 CYS HA H 13 4.648 4.499 0.149 1
1 76 . 5 1 1 A 13 13 CYS N N 13 121.945 114.927 7.018 1
1 77 . 5 1 1 A 14 14 CYS H H 14 7.543 7.619 -0.076 1
1 78 . 5 1 1 A 14 14 CYS HA H 14 5.056 5.336 -0.280 1
1 81 . 5 1 1 A 14 14 CYS N N 14 116.460 117.189 -0.729 1
1 82 . 5 1 1 A 15 15 ASP H H 15 8.212 10.064 -1.852 1
1 83 . 5 1 1 A 15 15 ASP HA H 15 4.570 4.940 -0.370 1
1 86 . 5 1 1 A 15 15 ASP N N 15 125.197 122.113 3.084 1
1 87 . 5 1 1 A 16 16 ALA H H 16 8.996 9.132 -0.136 1
1 88 . 5 1 1 A 16 16 ALA HA H 16 4.148 4.132 0.016 1
1 92 . 5 1 1 A 16 16 ALA N N 16 135.341 128.806 6.535 1
1 93 . 5 1 1 A 17 17 ALA H H 17 8.669 7.748 0.921 1
1 94 . 5 1 1 A 17 17 ALA HA H 17 4.361 4.180 0.181 1
1 98 . 5 1 1 A 17 17 ALA N N 17 121.910 119.681 2.229 1
1 99 . 5 1 1 A 18 18 THR H H 18 7.743 7.806 -0.063 1
1 100 . 5 1 1 A 18 18 THR HA H 18 4.445 4.393 0.052 1
1 105 . 5 1 1 A 18 18 THR N N 18 109.481 109.454 0.027 1
1 106 . 5 1 1 A 19 19 CYS H H 19 8.601 8.262 0.339 1
1 107 . 5 1 1 A 19 19 CYS HA H 19 4.642 4.339 0.303 1
1 110 . 5 1 1 A 19 19 CYS N N 19 123.176 119.760 3.416 1
1 111 . 5 1 1 A 20 20 LYS H H 20 7.964 7.144 0.820 1
1 112 . 5 1 1 A 20 20 LYS HA H 20 4.945 4.887 0.058 1
1 117 . 5 1 1 A 20 20 LYS N N 20 122.525 118.952 3.573 1
1 118 . 5 1 1 A 21 21 LEU H H 21 9.211 8.678 0.533 1
1 119 . 5 1 1 A 21 21 LEU HA H 21 4.285 4.437 -0.152 1
1 129 . 5 1 1 A 21 21 LEU N N 21 124.582 121.553 3.029 1
1 130 . 5 1 1 A 22 22 ARG H H 22 8.490 8.844 -0.354 1
1 131 . 5 1 1 A 22 22 ARG HA H 22 4.448 4.279 0.169 1
1 137 . 5 1 1 A 22 22 ARG N N 22 126.604 127.025 -0.421 1
1 139 . 5 1 1 A 23 23 PRO HA H 23 4.389 4.511 -0.122 1
1 144 . 5 1 1 A 24 24 GLY H H 24 8.830 8.333 0.497 1
1 145 . 5 1 1 A 24 24 GLY HA2 H 24 4.295 3.922 0.373 1
1 146 . 5 1 1 A 24 24 GLY HA3 H 24 3.664 3.924 -0.260 1
1 147 . 5 1 1 A 24 24 GLY N N 24 117.708 105.919 11.789 1
1 148 . 5 1 1 A 25 25 ALA H H 25 7.942 7.802 0.140 1
1 149 . 5 1 1 A 25 25 ALA HA H 25 4.540 4.203 0.337 1
1 153 . 5 1 1 A 25 25 ALA N N 25 127.553 122.855 4.698 1
1 154 . 5 1 1 A 26 26 GLN H H 26 8.827 8.435 0.392 1
1 155 . 5 1 1 A 26 26 GLN HA H 26 4.113 4.153 -0.040 1
1 162 . 5 1 1 A 26 26 GLN N N 26 122.086 117.915 4.171 1
1 164 . 5 1 1 A 27 27 CYS H H 27 7.805 7.232 0.573 1
1 165 . 5 1 1 A 27 27 CYS HA H 27 4.555 4.680 -0.125 1
1 168 . 5 1 1 A 27 27 CYS N N 27 117.409 112.275 5.134 1
1 169 . 5 1 1 A 28 28 GLY H H 28 9.163 8.778 0.385 1
1 170 . 5 1 1 A 28 28 GLY HA2 H 28 4.446 3.823 0.623 1
1 171 . 5 1 1 A 28 28 GLY HA3 H 28 3.574 3.838 -0.264 1
1 172 . 5 1 1 A 28 28 GLY N N 28 109.041 110.399 -1.358 1
1 173 . 5 1 1 A 29 29 GLU H H 29 7.844 7.773 0.071 1
1 174 . 5 1 1 A 29 29 GLU HA H 29 4.782 4.671 0.111 1
1 179 . 5 1 1 A 29 29 GLU N N 29 122.174 117.742 4.432 1
1 180 . 5 1 1 A 30 30 GLY H H 30 8.391 8.510 -0.119 1
1 181 . 5 1 1 A 30 30 GLY HA2 H 30 4.915 4.123 0.792 1
1 182 . 5 1 1 A 30 30 GLY HA3 H 30 3.925 4.134 -0.209 1
1 183 . 5 1 1 A 30 30 GLY N N 30 112.663 109.539 3.124 1
1 184 . 5 1 1 A 31 31 LEU H H 31 8.960 8.546 0.414 1
1 185 . 5 1 1 A 31 31 LEU HA H 31 4.354 4.487 -0.133 1
1 195 . 5 1 1 A 31 31 LEU N N 31 125.039 118.314 6.725 1
1 196 . 5 1 1 A 32 32 CYS H H 32 8.467 8.434 0.033 1
1 197 . 5 1 1 A 32 32 CYS HA H 32 5.108 4.643 0.465 1
1 200 . 5 1 1 A 32 32 CYS N N 32 119.167 115.910 3.257 1
1 201 . 5 1 1 A 33 33 CYS H H 33 7.365 7.162 0.203 1
1 202 . 5 1 1 A 33 33 CYS HA H 33 5.291 4.655 0.636 1
1 205 . 5 1 1 A 33 33 CYS N N 33 125.303 120.108 5.195 1
1 206 . 5 1 1 A 34 34 GLU H H 34 9.742 9.171 0.571 1
1 207 . 5 1 1 A 34 34 GLU HA H 34 4.682 4.724 -0.042 1
1 212 . 5 1 1 A 34 34 GLU N N 34 132.652 127.386 5.266 1
1 213 . 5 1 1 A 35 35 GLN H H 35 9.453 9.445 0.008 1
1 214 . 5 1 1 A 35 35 GLN HA H 35 3.999 3.906 0.093 1
1 219 . 5 1 1 A 35 35 GLN N N 35 129.593 126.714 2.879 1
1 221 . 5 1 1 A 36 36 CYS H H 36 8.492 8.405 0.087 1
1 222 . 5 1 1 A 36 36 CYS HA H 36 4.801 4.241 0.560 1
1 225 . 5 1 1 A 36 36 CYS N N 36 109.569 109.258 0.311 1
1 226 . 5 1 1 A 37 37 LYS H H 37 8.024 7.442 0.582 1
1 227 . 5 1 1 A 37 37 LYS HA H 37 4.703 4.678 0.025 1
1 236 . 5 1 1 A 37 37 LYS N N 37 125.110 119.238 5.872 1
1 237 . 5 1 1 A 38 38 PHE H H 38 8.276 8.570 -0.294 1
1 238 . 5 1 1 A 38 38 PHE HA H 38 5.141 4.546 0.595 1
1 245 . 5 1 1 A 38 38 PHE N N 38 123.897 120.603 3.294 1
1 246 . 5 1 1 A 39 39 SER H H 39 9.044 8.279 0.765 1
1 247 . 5 1 1 A 39 39 SER HA H 39 4.274 4.393 -0.119 1
1 250 . 5 1 1 A 39 39 SER N N 39 125.655 120.370 5.285 1
1 251 . 5 1 1 A 40 40 ARG H H 40 8.573 8.601 -0.028 1
1 252 . 5 1 1 A 40 40 ARG HA H 40 4.101 4.434 -0.333 1
1 259 . 5 1 1 A 40 40 ARG N N 40 125.848 122.600 3.248 1
1 260 . 5 1 1 A 41 41 ALA H H 41 8.501 8.478 0.023 1
1 261 . 5 1 1 A 41 41 ALA HA H 41 3.724 4.432 -0.708 1
1 265 . 5 1 1 A 41 41 ALA N N 41 127.729 126.294 1.435 1
1 266 . 5 1 1 A 42 42 GLY H H 42 8.619 9.353 -0.734 1
1 267 . 5 1 1 A 42 42 GLY HA2 H 42 4.486 3.811 0.675 1
1 268 . 5 1 1 A 42 42 GLY HA3 H 42 3.587 3.825 -0.238 1
1 269 . 5 1 1 A 42 42 GLY N N 42 114.579 109.660 4.919 1
1 270 . 5 1 1 A 43 43 LYS H H 43 7.535 7.855 -0.320 1
1 271 . 5 1 1 A 43 43 LYS HA H 43 4.149 4.551 -0.402 1
1 280 . 5 1 1 A 43 43 LYS N N 43 126.780 121.541 5.239 1
1 281 . 5 1 1 A 44 44 ILE H H 44 8.810 8.460 0.350 1
1 282 . 5 1 1 A 44 44 ILE HA H 44 4.167 4.712 -0.545 1
1 290 . 5 1 1 A 44 44 ILE N N 44 133.179 126.416 6.763 1
1 291 . 5 1 1 A 45 45 CYS H H 45 9.355 8.839 0.516 1
1 292 . 5 1 1 A 45 45 CYS HA H 45 5.160 4.904 0.256 1
1 295 . 5 1 1 A 45 45 CYS N N 45 127.500 127.623 -0.123 1
1 296 . 5 1 1 A 46 46 ARG H H 46 7.675 7.597 0.078 1
1 297 . 5 1 1 A 46 46 ARG HA H 46 4.469 4.825 -0.356 1
1 304 . 5 1 1 A 46 46 ARG N N 46 126.375 119.670 6.705 1
1 305 . 5 1 1 A 47 47 ILE H H 47 8.400 8.748 -0.348 1
1 306 . 5 1 1 A 47 47 ILE HA H 47 4.663 4.793 -0.130 1
1 316 . 5 1 1 A 47 47 ILE N N 47 129.510 120.982 8.528 1
1 317 . 5 1 1 A 48 48 PRO HA H 48 4.491 4.845 -0.354 1
1 324 . 5 1 1 A 49 49 ARG H H 49 8.331 8.819 -0.488 1
1 325 . 5 1 1 A 49 49 ARG HA H 49 4.398 4.564 -0.166 1
1 332 . 5 1 1 A 49 49 ARG N N 49 122.965 117.919 5.046 1
1 333 . 5 1 1 A 50 50 GLY H H 50 8.426 7.909 0.517 1
1 334 . 5 1 1 A 50 50 GLY HA2 H 50 3.958 4.013 -0.055 1
1 335 . 5 1 1 A 50 50 GLY HA3 H 50 3.915 4.015 -0.100 1
1 336 . 5 1 1 A 50 50 GLY N N 50 114.157 108.743 5.414 1
1 337 . 5 1 1 A 51 51 GLU H H 51 8.753 7.953 0.800 1
1 338 . 5 1 1 A 51 51 GLU HA H 51 4.345 4.899 -0.554 1
1 343 . 5 1 1 A 51 51 GLU N N 51 125.370 119.876 5.494 1
1 344 . 5 1 1 A 52 52 MET H H 52 7.745 8.461 -0.716 1
1 345 . 5 1 1 A 52 52 MET HA H 52 4.839 4.829 0.010 1
1 350 . 5 1 1 A 52 52 MET N N 52 125.080 118.977 6.103 1
1 351 . 5 1 1 A 53 53 PRO HA H 53 4.485 4.962 -0.477 1
1 358 . 5 1 1 A 54 54 ASP H H 54 8.114 9.031 -0.917 1
1 359 . 5 1 1 A 54 54 ASP HA H 54 4.577 5.073 -0.496 1
1 362 . 5 1 1 A 54 54 ASP N N 54 122.385 124.298 -1.913 1
1 363 . 5 1 1 A 55 55 ASP H H 55 8.388 8.818 -0.430 1
1 364 . 5 1 1 A 55 55 ASP HA H 55 5.052 4.752 0.300 1
1 367 . 5 1 1 A 55 55 ASP N N 55 124.758 124.091 0.667 1
1 368 . 5 1 1 A 56 56 ARG H H 56 8.358 8.835 -0.477 1
1 369 . 5 1 1 A 56 56 ARG HA H 56 5.332 5.248 0.084 1
1 376 . 5 1 1 A 56 56 ARG N N 56 123.703 119.898 3.805 1
1 378 . 5 1 1 A 57 57 CYS H H 57 9.377 9.920 -0.543 1
1 379 . 5 1 1 A 57 57 CYS HA H 57 4.862 4.555 0.307 1
1 382 . 5 1 1 A 57 57 CYS N N 57 123.897 122.908 0.989 1
1 383 . 5 1 1 A 58 58 THR H H 58 10.180 8.149 2.031 1
1 384 . 5 1 1 A 58 58 THR HA H 58 4.442 4.587 -0.145 1
1 389 . 5 1 1 A 58 58 THR N N 58 117.445 115.025 2.420 1
1 390 . 5 1 1 A 59 59 GLY H H 59 8.546 7.780 0.766 1
1 391 . 5 1 1 A 59 59 GLY HA2 H 59 4.460 3.925 0.535 1
1 392 . 5 1 1 A 59 59 GLY HA3 H 59 4.460 3.954 0.506 1
1 393 . 5 1 1 A 59 59 GLY N N 59 115.880 110.029 5.851 1
1 394 . 5 1 1 A 60 60 GLN H H 60 7.986 7.512 0.474 1
1 395 . 5 1 1 A 60 60 GLN HA H 60 4.298 3.720 0.578 1
1 398 . 5 1 1 A 60 60 GLN N N 60 119.027 117.359 1.668 1
1 400 . 5 1 1 A 61 61 SER H H 61 6.630 7.431 -0.801 1
1 401 . 5 1 1 A 61 61 SER HA H 61 3.880 4.615 -0.735 1
1 404 . 5 1 1 A 61 61 SER N N 61 114.913 116.013 -1.100 1
1 405 . 5 1 1 A 62 62 ALA H H 62 9.027 8.834 0.193 1
1 406 . 5 1 1 A 62 62 ALA HA H 62 4.435 4.602 -0.167 1
1 410 . 5 1 1 A 62 62 ALA N N 62 129.628 126.440 3.188 1
1 411 . 5 1 1 A 63 63 ASP H H 63 8.080 7.970 0.110 1
1 412 . 5 1 1 A 63 63 ASP HA H 63 4.895 4.893 0.002 1
1 415 . 5 1 1 A 63 63 ASP N N 63 121.506 115.839 5.667 1
1 416 . 5 1 1 A 64 64 CYS H H 64 8.924 8.729 0.195 1
1 417 . 5 1 1 A 64 64 CYS HA H 64 5.403 4.959 0.444 1
1 420 . 5 1 1 A 64 64 CYS N N 64 125.936 116.854 9.082 1
1 421 . 5 1 1 A 65 65 PRO HA H 65 4.375 4.659 -0.284 1
1 428 . 5 1 1 A 66 66 ARG H H 66 8.203 8.550 -0.347 1
1 429 . 5 1 1 A 66 66 ARG HA H 66 4.362 4.810 -0.448 1
1 436 . 5 1 1 A 66 66 ARG N N 66 123.580 120.887 2.693 1
1 437 . 5 1 1 A 67 67 TYR H H 67 8.650 8.840 -0.190 1
1 438 . 5 1 1 A 67 67 TYR HA H 67 4.459 4.814 -0.355 1
1 445 . 5 1 1 A 67 67 TYR N N 67 128.872 122.551 6.321 1
1 5 . 6 1 1 A 2 2 LYS H H 2 8.331 7.811 0.520 1
1 10 . 6 1 1 A 2 2 LYS N N 2 125.285 122.051 3.234 1
1 11 . 6 1 1 A 3 3 GLU H H 3 8.659 8.928 -0.269 1
1 12 . 6 1 1 A 3 3 GLU HA H 3 4.322 4.505 -0.183 1
1 17 . 6 1 1 A 3 3 GLU N N 3 125.356 125.041 0.315 1
1 18 . 6 1 1 A 4 4 CYS H H 4 8.116 7.725 0.391 1
1 19 . 6 1 1 A 4 4 CYS HA H 4 4.975 5.395 -0.420 1
1 22 . 6 1 1 A 4 4 CYS N N 4 123.773 118.607 5.166 1
1 23 . 6 1 1 A 5 5 ASP H H 5 8.776 9.863 -1.087 1
1 24 . 6 1 1 A 5 5 ASP HA H 5 4.817 4.815 0.002 1
1 27 . 6 1 1 A 5 5 ASP N N 5 123.756 125.147 -1.391 1
1 28 . 6 1 1 A 6 6 CYS H H 6 6.975 7.502 -0.527 1
1 29 . 6 1 1 A 6 6 CYS HA H 6 4.931 4.827 0.104 1
1 32 . 6 1 1 A 6 6 CYS N N 6 116.724 115.152 1.572 1
1 33 . 6 1 1 A 7 7 SER H H 7 9.659 8.815 0.844 1
1 34 . 6 1 1 A 7 7 SER HA H 7 4.226 4.334 -0.108 1
1 37 . 6 1 1 A 7 7 SER N N 7 123.545 117.619 5.926 1
1 38 . 6 1 1 A 8 8 SER H H 8 7.862 7.822 0.040 1
1 39 . 6 1 1 A 8 8 SER HA H 8 5.137 4.659 0.478 1
1 42 . 6 1 1 A 8 8 SER N N 8 119.712 118.499 1.213 1
1 43 . 6 1 1 A 9 9 PRO HA H 9 4.559 4.561 -0.002 1
1 50 . 6 1 1 A 10 10 GLU H H 10 8.244 8.528 -0.284 1
1 51 . 6 1 1 A 10 10 GLU HA H 10 4.294 4.346 -0.052 1
1 56 . 6 1 1 A 10 10 GLU N N 10 120.855 115.888 4.967 1
1 57 . 6 1 1 A 11 11 ASN H H 11 7.260 7.791 -0.531 1
1 58 . 6 1 1 A 11 11 ASN HA H 11 4.794 4.972 -0.178 1
1 63 . 6 1 1 A 11 11 ASN N N 11 124.776 120.914 3.862 1
1 65 . 6 1 1 A 12 12 PRO HA H 12 4.704 4.451 0.253 1
1 72 . 6 1 1 A 13 13 CYS H H 13 8.931 8.176 0.755 1
1 73 . 6 1 1 A 13 13 CYS HA H 13 4.648 4.394 0.254 1
1 76 . 6 1 1 A 13 13 CYS N N 13 121.945 114.110 7.835 1
1 77 . 6 1 1 A 14 14 CYS H H 14 7.543 7.624 -0.081 1
1 78 . 6 1 1 A 14 14 CYS HA H 14 5.056 5.065 -0.009 1
1 81 . 6 1 1 A 14 14 CYS N N 14 116.460 116.026 0.434 1
1 82 . 6 1 1 A 15 15 ASP H H 15 8.212 9.232 -1.020 1
1 83 . 6 1 1 A 15 15 ASP HA H 15 4.570 4.600 -0.030 1
1 86 . 6 1 1 A 15 15 ASP N N 15 125.197 123.818 1.379 1
1 87 . 6 1 1 A 16 16 ALA H H 16 8.996 9.061 -0.065 1
1 88 . 6 1 1 A 16 16 ALA HA H 16 4.148 3.995 0.153 1
1 92 . 6 1 1 A 16 16 ALA N N 16 135.341 129.645 5.696 1
1 93 . 6 1 1 A 17 17 ALA H H 17 8.669 8.539 0.130 1
1 94 . 6 1 1 A 17 17 ALA HA H 17 4.361 4.105 0.256 1
1 98 . 6 1 1 A 17 17 ALA N N 17 121.910 119.502 2.408 1
1 99 . 6 1 1 A 18 18 THR H H 18 7.743 7.940 -0.197 1
1 100 . 6 1 1 A 18 18 THR HA H 18 4.445 4.426 0.019 1
1 105 . 6 1 1 A 18 18 THR N N 18 109.481 109.366 0.115 1
1 106 . 6 1 1 A 19 19 CYS H H 19 8.601 8.775 -0.174 1
1 107 . 6 1 1 A 19 19 CYS HA H 19 4.642 4.154 0.488 1
1 110 . 6 1 1 A 19 19 CYS N N 19 123.176 119.742 3.434 1
1 111 . 6 1 1 A 20 20 LYS H H 20 7.964 7.273 0.691 1
1 112 . 6 1 1 A 20 20 LYS HA H 20 4.945 4.802 0.143 1
1 117 . 6 1 1 A 20 20 LYS N N 20 122.525 119.866 2.659 1
1 118 . 6 1 1 A 21 21 LEU H H 21 9.211 8.747 0.464 1
1 119 . 6 1 1 A 21 21 LEU HA H 21 4.285 4.473 -0.188 1
1 129 . 6 1 1 A 21 21 LEU N N 21 124.582 122.297 2.285 1
1 130 . 6 1 1 A 22 22 ARG H H 22 8.490 8.352 0.138 1
1 131 . 6 1 1 A 22 22 ARG HA H 22 4.448 4.336 0.112 1
1 137 . 6 1 1 A 22 22 ARG N N 22 126.604 125.332 1.272 1
1 139 . 6 1 1 A 23 23 PRO HA H 23 4.389 4.492 -0.103 1
1 144 . 6 1 1 A 24 24 GLY H H 24 8.830 8.337 0.493 1
1 145 . 6 1 1 A 24 24 GLY HA2 H 24 4.295 3.907 0.388 1
1 146 . 6 1 1 A 24 24 GLY HA3 H 24 3.664 3.908 -0.244 1
1 147 . 6 1 1 A 24 24 GLY N N 24 117.708 106.477 11.231 1
1 148 . 6 1 1 A 25 25 ALA H H 25 7.942 7.788 0.154 1
1 149 . 6 1 1 A 25 25 ALA HA H 25 4.540 4.203 0.337 1
1 153 . 6 1 1 A 25 25 ALA N N 25 127.553 123.147 4.406 1
1 154 . 6 1 1 A 26 26 GLN H H 26 8.827 8.604 0.223 1
1 155 . 6 1 1 A 26 26 GLN HA H 26 4.113 4.069 0.044 1
1 162 . 6 1 1 A 26 26 GLN N N 26 122.086 120.802 1.284 1
1 164 . 6 1 1 A 27 27 CYS H H 27 7.805 7.193 0.612 1
1 165 . 6 1 1 A 27 27 CYS HA H 27 4.555 4.647 -0.092 1
1 168 . 6 1 1 A 27 27 CYS N N 27 117.409 112.446 4.963 1
1 169 . 6 1 1 A 28 28 GLY H H 28 9.163 8.737 0.426 1
1 170 . 6 1 1 A 28 28 GLY HA2 H 28 4.446 3.823 0.623 1
1 171 . 6 1 1 A 28 28 GLY HA3 H 28 3.574 3.840 -0.266 1
1 172 . 6 1 1 A 28 28 GLY N N 28 109.041 110.082 -1.041 1
1 173 . 6 1 1 A 29 29 GLU H H 29 7.844 7.645 0.199 1
1 174 . 6 1 1 A 29 29 GLU HA H 29 4.782 4.780 0.002 1
1 179 . 6 1 1 A 29 29 GLU N N 29 122.174 118.495 3.679 1
1 180 . 6 1 1 A 30 30 GLY H H 30 8.391 8.426 -0.035 1
1 181 . 6 1 1 A 30 30 GLY HA2 H 30 4.915 4.262 0.653 1
1 182 . 6 1 1 A 30 30 GLY HA3 H 30 3.925 4.275 -0.350 1
1 183 . 6 1 1 A 30 30 GLY N N 30 112.663 111.236 1.427 1
1 184 . 6 1 1 A 31 31 LEU H H 31 8.960 8.777 0.183 1
1 185 . 6 1 1 A 31 31 LEU HA H 31 4.354 4.000 0.354 1
1 195 . 6 1 1 A 31 31 LEU N N 31 125.039 120.346 4.693 1
1 196 . 6 1 1 A 32 32 CYS H H 32 8.467 8.676 -0.209 1
1 197 . 6 1 1 A 32 32 CYS HA H 32 5.108 4.708 0.400 1
1 200 . 6 1 1 A 32 32 CYS N N 32 119.167 115.023 4.144 1
1 201 . 6 1 1 A 33 33 CYS H H 33 7.365 7.813 -0.448 1
1 202 . 6 1 1 A 33 33 CYS HA H 33 5.291 5.508 -0.217 1
1 205 . 6 1 1 A 33 33 CYS N N 33 125.303 118.469 6.834 1
1 206 . 6 1 1 A 34 34 GLU H H 34 9.742 8.605 1.137 1
1 207 . 6 1 1 A 34 34 GLU HA H 34 4.682 4.744 -0.062 1
1 212 . 6 1 1 A 34 34 GLU N N 34 132.652 124.969 7.683 1
1 213 . 6 1 1 A 35 35 GLN H H 35 9.453 9.449 0.004 1
1 214 . 6 1 1 A 35 35 GLN HA H 35 3.999 3.852 0.147 1
1 219 . 6 1 1 A 35 35 GLN N N 35 129.593 125.683 3.910 1
1 221 . 6 1 1 A 36 36 CYS H H 36 8.492 8.382 0.110 1
1 222 . 6 1 1 A 36 36 CYS HA H 36 4.801 4.263 0.538 1
1 225 . 6 1 1 A 36 36 CYS N N 36 109.569 110.037 -0.468 1
1 226 . 6 1 1 A 37 37 LYS H H 37 8.024 7.225 0.799 1
1 227 . 6 1 1 A 37 37 LYS HA H 37 4.703 4.667 0.036 1
1 236 . 6 1 1 A 37 37 LYS N N 37 125.110 119.189 5.921 1
1 237 . 6 1 1 A 38 38 PHE H H 38 8.276 8.444 -0.168 1
1 238 . 6 1 1 A 38 38 PHE HA H 38 5.141 4.595 0.546 1
1 245 . 6 1 1 A 38 38 PHE N N 38 123.897 120.713 3.184 1
1 246 . 6 1 1 A 39 39 SER H H 39 9.044 8.578 0.466 1
1 247 . 6 1 1 A 39 39 SER HA H 39 4.274 4.503 -0.229 1
1 250 . 6 1 1 A 39 39 SER N N 39 125.655 119.909 5.746 1
1 251 . 6 1 1 A 40 40 ARG H H 40 8.573 8.512 0.061 1
1 252 . 6 1 1 A 40 40 ARG HA H 40 4.101 4.687 -0.586 1
1 259 . 6 1 1 A 40 40 ARG N N 40 125.848 119.510 6.338 1
1 260 . 6 1 1 A 41 41 ALA H H 41 8.501 8.489 0.012 1
1 261 . 6 1 1 A 41 41 ALA HA H 41 3.724 4.468 -0.744 1
1 265 . 6 1 1 A 41 41 ALA N N 41 127.729 125.528 2.201 1
1 266 . 6 1 1 A 42 42 GLY H H 42 8.619 8.379 0.240 1
1 267 . 6 1 1 A 42 42 GLY HA2 H 42 4.486 3.847 0.639 1
1 268 . 6 1 1 A 42 42 GLY HA3 H 42 3.587 3.852 -0.265 1
1 269 . 6 1 1 A 42 42 GLY N N 42 114.579 109.171 5.408 1
1 270 . 6 1 1 A 43 43 LYS H H 43 7.535 7.179 0.356 1
1 271 . 6 1 1 A 43 43 LYS HA H 43 4.149 4.676 -0.527 1
1 280 . 6 1 1 A 43 43 LYS N N 43 126.780 120.532 6.248 1
1 281 . 6 1 1 A 44 44 ILE H H 44 8.810 8.922 -0.112 1
1 282 . 6 1 1 A 44 44 ILE HA H 44 4.167 4.505 -0.338 1
1 290 . 6 1 1 A 44 44 ILE N N 44 133.179 126.730 6.449 1
1 291 . 6 1 1 A 45 45 CYS H H 45 9.355 8.766 0.589 1
1 292 . 6 1 1 A 45 45 CYS HA H 45 5.160 4.761 0.399 1
1 295 . 6 1 1 A 45 45 CYS N N 45 127.500 123.728 3.772 1
1 296 . 6 1 1 A 46 46 ARG H H 46 7.675 7.562 0.113 1
1 297 . 6 1 1 A 46 46 ARG HA H 46 4.469 4.948 -0.479 1
1 304 . 6 1 1 A 46 46 ARG N N 46 126.375 119.362 7.013 1
1 305 . 6 1 1 A 47 47 ILE H H 47 8.400 8.866 -0.466 1
1 306 . 6 1 1 A 47 47 ILE HA H 47 4.663 4.809 -0.146 1
1 316 . 6 1 1 A 47 47 ILE N N 47 129.510 121.135 8.375 1
1 317 . 6 1 1 A 48 48 PRO HA H 48 4.491 4.890 -0.399 1
1 324 . 6 1 1 A 49 49 ARG H H 49 8.331 8.804 -0.473 1
1 325 . 6 1 1 A 49 49 ARG HA H 49 4.398 4.559 -0.161 1
1 332 . 6 1 1 A 49 49 ARG N N 49 122.965 122.716 0.249 1
1 333 . 6 1 1 A 50 50 GLY H H 50 8.426 7.688 0.738 1
1 334 . 6 1 1 A 50 50 GLY HA2 H 50 3.958 4.121 -0.163 1
1 335 . 6 1 1 A 50 50 GLY HA3 H 50 3.915 4.126 -0.211 1
1 336 . 6 1 1 A 50 50 GLY N N 50 114.157 110.409 3.748 1
1 337 . 6 1 1 A 51 51 GLU H H 51 8.753 8.463 0.290 1
1 338 . 6 1 1 A 51 51 GLU HA H 51 4.345 4.474 -0.129 1
1 343 . 6 1 1 A 51 51 GLU N N 51 125.370 124.512 0.858 1
1 344 . 6 1 1 A 52 52 MET H H 52 7.745 8.211 -0.466 1
1 345 . 6 1 1 A 52 52 MET HA H 52 4.839 4.880 -0.041 1
1 350 . 6 1 1 A 52 52 MET N N 52 125.080 119.110 5.970 1
1 351 . 6 1 1 A 53 53 PRO HA H 53 4.485 4.294 0.191 1
1 358 . 6 1 1 A 54 54 ASP H H 54 8.114 7.992 0.122 1
1 359 . 6 1 1 A 54 54 ASP HA H 54 4.577 4.634 -0.057 1
1 362 . 6 1 1 A 54 54 ASP N N 54 122.385 122.819 -0.434 1
1 363 . 6 1 1 A 55 55 ASP H H 55 8.388 8.968 -0.580 1
1 364 . 6 1 1 A 55 55 ASP HA H 55 5.052 4.830 0.222 1
1 367 . 6 1 1 A 55 55 ASP N N 55 124.758 126.154 -1.396 1
1 368 . 6 1 1 A 56 56 ARG H H 56 8.358 8.703 -0.345 1
1 369 . 6 1 1 A 56 56 ARG HA H 56 5.332 5.359 -0.027 1
1 376 . 6 1 1 A 56 56 ARG N N 56 123.703 126.443 -2.740 1
1 378 . 6 1 1 A 57 57 CYS H H 57 9.377 9.869 -0.492 1
1 379 . 6 1 1 A 57 57 CYS HA H 57 4.862 4.567 0.295 1
1 382 . 6 1 1 A 57 57 CYS N N 57 123.897 125.541 -1.644 1
1 383 . 6 1 1 A 58 58 THR H H 58 10.180 8.549 1.631 1
1 384 . 6 1 1 A 58 58 THR HA H 58 4.442 4.489 -0.047 1
1 389 . 6 1 1 A 58 58 THR N N 58 117.445 115.248 2.197 1
1 390 . 6 1 1 A 59 59 GLY H H 59 8.546 7.706 0.840 1
1 391 . 6 1 1 A 59 59 GLY HA2 H 59 4.460 3.983 0.477 1
1 392 . 6 1 1 A 59 59 GLY HA3 H 59 4.460 4.004 0.456 1
1 393 . 6 1 1 A 59 59 GLY N N 59 115.880 110.410 5.470 1
1 394 . 6 1 1 A 60 60 GLN H H 60 7.986 7.945 0.041 1
1 395 . 6 1 1 A 60 60 GLN HA H 60 4.298 4.180 0.118 1
1 398 . 6 1 1 A 60 60 GLN N N 60 119.027 118.506 0.521 1
1 400 . 6 1 1 A 61 61 SER H H 61 6.630 7.670 -1.040 1
1 401 . 6 1 1 A 61 61 SER HA H 61 3.880 4.428 -0.548 1
1 404 . 6 1 1 A 61 61 SER N N 61 114.913 115.634 -0.721 1
1 405 . 6 1 1 A 62 62 ALA H H 62 9.027 8.889 0.138 1
1 406 . 6 1 1 A 62 62 ALA HA H 62 4.435 4.640 -0.205 1
1 410 . 6 1 1 A 62 62 ALA N N 62 129.628 126.543 3.085 1
1 411 . 6 1 1 A 63 63 ASP H H 63 8.080 8.041 0.039 1
1 412 . 6 1 1 A 63 63 ASP HA H 63 4.895 4.748 0.147 1
1 415 . 6 1 1 A 63 63 ASP N N 63 121.506 115.945 5.561 1
1 416 . 6 1 1 A 64 64 CYS H H 64 8.924 8.557 0.367 1
1 417 . 6 1 1 A 64 64 CYS HA H 64 5.403 4.965 0.438 1
1 420 . 6 1 1 A 64 64 CYS N N 64 125.936 119.801 6.135 1
1 421 . 6 1 1 A 65 65 PRO HA H 65 4.375 4.383 -0.008 1
1 428 . 6 1 1 A 66 66 ARG H H 66 8.203 7.529 0.674 1
1 429 . 6 1 1 A 66 66 ARG HA H 66 4.362 4.712 -0.350 1
1 436 . 6 1 1 A 66 66 ARG N N 66 123.580 115.839 7.741 1
1 437 . 6 1 1 A 67 67 TYR H H 67 8.650 9.136 -0.486 1
1 438 . 6 1 1 A 67 67 TYR HA H 67 4.459 4.170 0.289 1
1 445 . 6 1 1 A 67 67 TYR N N 67 128.872 123.410 5.462 1
1 5 . 7 1 1 A 2 2 LYS H H 2 8.331 8.103 0.228 1
1 10 . 7 1 1 A 2 2 LYS N N 2 125.285 119.639 5.646 1
1 11 . 7 1 1 A 3 3 GLU H H 3 8.659 8.720 -0.061 1
1 12 . 7 1 1 A 3 3 GLU HA H 3 4.322 4.485 -0.163 1
1 17 . 7 1 1 A 3 3 GLU N N 3 125.356 118.687 6.669 1
1 18 . 7 1 1 A 4 4 CYS H H 4 8.116 7.842 0.274 1
1 19 . 7 1 1 A 4 4 CYS HA H 4 4.975 5.328 -0.353 1
1 22 . 7 1 1 A 4 4 CYS N N 4 123.773 117.047 6.726 1
1 23 . 7 1 1 A 5 5 ASP H H 5 8.776 9.370 -0.594 1
1 24 . 7 1 1 A 5 5 ASP HA H 5 4.817 4.757 0.060 1
1 27 . 7 1 1 A 5 5 ASP N N 5 123.756 125.122 -1.366 1
1 28 . 7 1 1 A 6 6 CYS H H 6 6.975 7.396 -0.421 1
1 29 . 7 1 1 A 6 6 CYS HA H 6 4.931 4.895 0.036 1
1 32 . 7 1 1 A 6 6 CYS N N 6 116.724 114.573 2.151 1
1 33 . 7 1 1 A 7 7 SER H H 7 9.659 9.000 0.659 1
1 34 . 7 1 1 A 7 7 SER HA H 7 4.226 4.588 -0.362 1
1 37 . 7 1 1 A 7 7 SER N N 7 123.545 116.592 6.953 1
1 38 . 7 1 1 A 8 8 SER H H 8 7.862 7.702 0.160 1
1 39 . 7 1 1 A 8 8 SER HA H 8 5.137 4.544 0.593 1
1 42 . 7 1 1 A 8 8 SER N N 8 119.712 115.701 4.011 1
1 43 . 7 1 1 A 9 9 PRO HA H 9 4.559 4.416 0.143 1
1 50 . 7 1 1 A 10 10 GLU H H 10 8.244 8.318 -0.074 1
1 51 . 7 1 1 A 10 10 GLU HA H 10 4.294 4.115 0.179 1
1 56 . 7 1 1 A 10 10 GLU N N 10 120.855 117.882 2.973 1
1 57 . 7 1 1 A 11 11 ASN H H 11 7.260 7.622 -0.362 1
1 58 . 7 1 1 A 11 11 ASN HA H 11 4.794 4.729 0.065 1
1 63 . 7 1 1 A 11 11 ASN N N 11 124.776 118.297 6.479 1
1 65 . 7 1 1 A 12 12 PRO HA H 12 4.704 4.432 0.272 1
1 72 . 7 1 1 A 13 13 CYS H H 13 8.931 8.180 0.751 1
1 73 . 7 1 1 A 13 13 CYS HA H 13 4.648 4.310 0.338 1
1 76 . 7 1 1 A 13 13 CYS N N 13 121.945 114.044 7.901 1
1 77 . 7 1 1 A 14 14 CYS H H 14 7.543 7.710 -0.167 1
1 78 . 7 1 1 A 14 14 CYS HA H 14 5.056 5.243 -0.187 1
1 81 . 7 1 1 A 14 14 CYS N N 14 116.460 115.615 0.845 1
1 82 . 7 1 1 A 15 15 ASP H H 15 8.212 8.746 -0.534 1
1 83 . 7 1 1 A 15 15 ASP HA H 15 4.570 4.400 0.170 1
1 86 . 7 1 1 A 15 15 ASP N N 15 125.197 126.292 -1.095 1
1 87 . 7 1 1 A 16 16 ALA H H 16 8.996 9.001 -0.005 1
1 88 . 7 1 1 A 16 16 ALA HA H 16 4.148 4.007 0.141 1
1 92 . 7 1 1 A 16 16 ALA N N 16 135.341 129.514 5.827 1
1 93 . 7 1 1 A 17 17 ALA H H 17 8.669 7.981 0.688 1
1 94 . 7 1 1 A 17 17 ALA HA H 17 4.361 4.026 0.335 1
1 98 . 7 1 1 A 17 17 ALA N N 17 121.910 118.669 3.241 1
1 99 . 7 1 1 A 18 18 THR H H 18 7.743 7.860 -0.117 1
1 100 . 7 1 1 A 18 18 THR HA H 18 4.445 4.446 -0.001 1
1 105 . 7 1 1 A 18 18 THR N N 18 109.481 109.159 0.322 1
1 106 . 7 1 1 A 19 19 CYS H H 19 8.601 8.121 0.480 1
1 107 . 7 1 1 A 19 19 CYS HA H 19 4.642 4.171 0.471 1
1 110 . 7 1 1 A 19 19 CYS N N 19 123.176 120.287 2.889 1
1 111 . 7 1 1 A 20 20 LYS H H 20 7.964 7.291 0.673 1
1 112 . 7 1 1 A 20 20 LYS HA H 20 4.945 4.772 0.173 1
1 117 . 7 1 1 A 20 20 LYS N N 20 122.525 120.101 2.424 1
1 118 . 7 1 1 A 21 21 LEU H H 21 9.211 8.710 0.501 1
1 119 . 7 1 1 A 21 21 LEU HA H 21 4.285 4.412 -0.127 1
1 129 . 7 1 1 A 21 21 LEU N N 21 124.582 122.371 2.211 1
1 130 . 7 1 1 A 22 22 ARG H H 22 8.490 8.434 0.056 1
1 131 . 7 1 1 A 22 22 ARG HA H 22 4.448 4.228 0.220 1
1 137 . 7 1 1 A 22 22 ARG N N 22 126.604 126.166 0.438 1
1 139 . 7 1 1 A 23 23 PRO HA H 23 4.389 4.496 -0.107 1
1 144 . 7 1 1 A 24 24 GLY H H 24 8.830 8.340 0.490 1
1 145 . 7 1 1 A 24 24 GLY HA2 H 24 4.295 3.904 0.391 1
1 146 . 7 1 1 A 24 24 GLY HA3 H 24 3.664 3.906 -0.242 1
1 147 . 7 1 1 A 24 24 GLY N N 24 117.708 106.145 11.563 1
1 148 . 7 1 1 A 25 25 ALA H H 25 7.942 7.811 0.131 1
1 149 . 7 1 1 A 25 25 ALA HA H 25 4.540 4.176 0.364 1
1 153 . 7 1 1 A 25 25 ALA N N 25 127.553 122.769 4.784 1
1 154 . 7 1 1 A 26 26 GLN H H 26 8.827 8.478 0.349 1
1 155 . 7 1 1 A 26 26 GLN HA H 26 4.113 3.996 0.117 1
1 162 . 7 1 1 A 26 26 GLN N N 26 122.086 119.489 2.597 1
1 164 . 7 1 1 A 27 27 CYS H H 27 7.805 6.701 1.104 1
1 165 . 7 1 1 A 27 27 CYS HA H 27 4.555 4.674 -0.119 1
1 168 . 7 1 1 A 27 27 CYS N N 27 117.409 112.915 4.494 1
1 169 . 7 1 1 A 28 28 GLY H H 28 9.163 8.759 0.404 1
1 170 . 7 1 1 A 28 28 GLY HA2 H 28 4.446 3.849 0.597 1
1 171 . 7 1 1 A 28 28 GLY HA3 H 28 3.574 3.867 -0.293 1
1 172 . 7 1 1 A 28 28 GLY N N 28 109.041 110.367 -1.326 1
1 173 . 7 1 1 A 29 29 GLU H H 29 7.844 7.639 0.205 1
1 174 . 7 1 1 A 29 29 GLU HA H 29 4.782 4.754 0.028 1
1 179 . 7 1 1 A 29 29 GLU N N 29 122.174 117.932 4.242 1
1 180 . 7 1 1 A 30 30 GLY H H 30 8.391 8.435 -0.044 1
1 181 . 7 1 1 A 30 30 GLY HA2 H 30 4.915 4.287 0.628 1
1 182 . 7 1 1 A 30 30 GLY HA3 H 30 3.925 4.307 -0.382 1
1 183 . 7 1 1 A 30 30 GLY N N 30 112.663 110.259 2.404 1
1 184 . 7 1 1 A 31 31 LEU H H 31 8.960 8.699 0.261 1
1 185 . 7 1 1 A 31 31 LEU HA H 31 4.354 4.032 0.322 1
1 195 . 7 1 1 A 31 31 LEU N N 31 125.039 119.576 5.463 1
1 196 . 7 1 1 A 32 32 CYS H H 32 8.467 9.243 -0.776 1
1 197 . 7 1 1 A 32 32 CYS HA H 32 5.108 4.754 0.354 1
1 200 . 7 1 1 A 32 32 CYS N N 32 119.167 114.836 4.331 1
1 201 . 7 1 1 A 33 33 CYS H H 33 7.365 8.000 -0.635 1
1 202 . 7 1 1 A 33 33 CYS HA H 33 5.291 5.320 -0.029 1
1 205 . 7 1 1 A 33 33 CYS N N 33 125.303 120.976 4.327 1
1 206 . 7 1 1 A 34 34 GLU H H 34 9.742 8.521 1.221 1
1 207 . 7 1 1 A 34 34 GLU HA H 34 4.682 4.752 -0.070 1
1 212 . 7 1 1 A 34 34 GLU N N 34 132.652 126.660 5.992 1
1 213 . 7 1 1 A 35 35 GLN H H 35 9.453 9.444 0.009 1
1 214 . 7 1 1 A 35 35 GLN HA H 35 3.999 3.905 0.094 1
1 219 . 7 1 1 A 35 35 GLN N N 35 129.593 122.683 6.910 1
1 221 . 7 1 1 A 36 36 CYS H H 36 8.492 8.404 0.088 1
1 222 . 7 1 1 A 36 36 CYS HA H 36 4.801 4.493 0.308 1
1 225 . 7 1 1 A 36 36 CYS N N 36 109.569 109.501 0.068 1
1 226 . 7 1 1 A 37 37 LYS H H 37 8.024 7.408 0.616 1
1 227 . 7 1 1 A 37 37 LYS HA H 37 4.703 4.726 -0.023 1
1 236 . 7 1 1 A 37 37 LYS N N 37 125.110 119.285 5.825 1
1 237 . 7 1 1 A 38 38 PHE H H 38 8.276 8.431 -0.155 1
1 238 . 7 1 1 A 38 38 PHE HA H 38 5.141 4.536 0.605 1
1 245 . 7 1 1 A 38 38 PHE N N 38 123.897 123.221 0.676 1
1 246 . 7 1 1 A 39 39 SER H H 39 9.044 8.106 0.938 1
1 247 . 7 1 1 A 39 39 SER HA H 39 4.274 4.582 -0.308 1
1 250 . 7 1 1 A 39 39 SER N N 39 125.655 119.546 6.109 1
1 251 . 7 1 1 A 40 40 ARG H H 40 8.573 8.507 0.066 1
1 252 . 7 1 1 A 40 40 ARG HA H 40 4.101 4.713 -0.612 1
1 259 . 7 1 1 A 40 40 ARG N N 40 125.848 121.240 4.608 1
1 260 . 7 1 1 A 41 41 ALA H H 41 8.501 8.533 -0.032 1
1 261 . 7 1 1 A 41 41 ALA HA H 41 3.724 4.466 -0.742 1
1 265 . 7 1 1 A 41 41 ALA N N 41 127.729 125.486 2.243 1
1 266 . 7 1 1 A 42 42 GLY H H 42 8.619 8.367 0.252 1
1 267 . 7 1 1 A 42 42 GLY HA2 H 42 4.486 3.836 0.650 1
1 268 . 7 1 1 A 42 42 GLY HA3 H 42 3.587 3.844 -0.257 1
1 269 . 7 1 1 A 42 42 GLY N N 42 114.579 109.314 5.265 1
1 270 . 7 1 1 A 43 43 LYS H H 43 7.535 7.233 0.302 1
1 271 . 7 1 1 A 43 43 LYS HA H 43 4.149 4.656 -0.507 1
1 280 . 7 1 1 A 43 43 LYS N N 43 126.780 120.763 6.017 1
1 281 . 7 1 1 A 44 44 ILE H H 44 8.810 8.485 0.325 1
1 282 . 7 1 1 A 44 44 ILE HA H 44 4.167 4.630 -0.463 1
1 290 . 7 1 1 A 44 44 ILE N N 44 133.179 126.488 6.691 1
1 291 . 7 1 1 A 45 45 CYS H H 45 9.355 8.924 0.431 1
1 292 . 7 1 1 A 45 45 CYS HA H 45 5.160 4.780 0.380 1
1 295 . 7 1 1 A 45 45 CYS N N 45 127.500 125.462 2.038 1
1 296 . 7 1 1 A 46 46 ARG H H 46 7.675 7.611 0.064 1
1 297 . 7 1 1 A 46 46 ARG HA H 46 4.469 4.940 -0.471 1
1 304 . 7 1 1 A 46 46 ARG N N 46 126.375 118.494 7.881 1
1 305 . 7 1 1 A 47 47 ILE H H 47 8.400 8.963 -0.563 1
1 306 . 7 1 1 A 47 47 ILE HA H 47 4.663 4.747 -0.084 1
1 316 . 7 1 1 A 47 47 ILE N N 47 129.510 122.850 6.660 1
1 317 . 7 1 1 A 48 48 PRO HA H 48 4.491 4.788 -0.297 1
1 324 . 7 1 1 A 49 49 ARG H H 49 8.331 9.016 -0.685 1
1 325 . 7 1 1 A 49 49 ARG HA H 49 4.398 4.241 0.157 1
1 332 . 7 1 1 A 49 49 ARG N N 49 122.965 120.639 2.326 1
1 333 . 7 1 1 A 50 50 GLY H H 50 8.426 7.794 0.632 1
1 334 . 7 1 1 A 50 50 GLY HA2 H 50 3.958 4.111 -0.153 1
1 335 . 7 1 1 A 50 50 GLY HA3 H 50 3.915 4.112 -0.197 1
1 336 . 7 1 1 A 50 50 GLY N N 50 114.157 107.897 6.260 1
1 337 . 7 1 1 A 51 51 GLU H H 51 8.753 8.549 0.204 1
1 338 . 7 1 1 A 51 51 GLU HA H 51 4.345 4.481 -0.136 1
1 343 . 7 1 1 A 51 51 GLU N N 51 125.370 124.622 0.748 1
1 344 . 7 1 1 A 52 52 MET H H 52 7.745 7.812 -0.067 1
1 345 . 7 1 1 A 52 52 MET HA H 52 4.839 5.154 -0.315 1
1 350 . 7 1 1 A 52 52 MET N N 52 125.080 116.373 8.707 1
1 351 . 7 1 1 A 53 53 PRO HA H 53 4.485 4.457 0.028 1
1 358 . 7 1 1 A 54 54 ASP H H 54 8.114 8.291 -0.177 1
1 359 . 7 1 1 A 54 54 ASP HA H 54 4.577 4.548 0.029 1
1 362 . 7 1 1 A 54 54 ASP N N 54 122.385 122.368 0.017 1
1 363 . 7 1 1 A 55 55 ASP H H 55 8.388 8.275 0.113 1
1 364 . 7 1 1 A 55 55 ASP HA H 55 5.052 4.758 0.294 1
1 367 . 7 1 1 A 55 55 ASP N N 55 124.758 121.356 3.402 1
1 368 . 7 1 1 A 56 56 ARG H H 56 8.358 8.627 -0.269 1
1 369 . 7 1 1 A 56 56 ARG HA H 56 5.332 5.253 0.079 1
1 376 . 7 1 1 A 56 56 ARG N N 56 123.703 120.713 2.990 1
1 378 . 7 1 1 A 57 57 CYS H H 57 9.377 10.298 -0.921 1
1 379 . 7 1 1 A 57 57 CYS HA H 57 4.862 4.608 0.254 1
1 382 . 7 1 1 A 57 57 CYS N N 57 123.897 125.400 -1.503 1
1 383 . 7 1 1 A 58 58 THR H H 58 10.180 8.514 1.666 1
1 384 . 7 1 1 A 58 58 THR HA H 58 4.442 4.509 -0.067 1
1 389 . 7 1 1 A 58 58 THR N N 58 117.445 115.506 1.939 1
1 390 . 7 1 1 A 59 59 GLY H H 59 8.546 7.712 0.834 1
1 391 . 7 1 1 A 59 59 GLY HA2 H 59 4.460 3.947 0.513 1
1 392 . 7 1 1 A 59 59 GLY HA3 H 59 4.460 3.966 0.494 1
1 393 . 7 1 1 A 59 59 GLY N N 59 115.880 110.013 5.867 1
1 394 . 7 1 1 A 60 60 GLN H H 60 7.986 7.561 0.425 1
1 395 . 7 1 1 A 60 60 GLN HA H 60 4.298 4.193 0.105 1
1 398 . 7 1 1 A 60 60 GLN N N 60 119.027 117.353 1.674 1
1 400 . 7 1 1 A 61 61 SER H H 61 6.630 7.091 -0.461 1
1 401 . 7 1 1 A 61 61 SER HA H 61 3.880 4.293 -0.413 1
1 404 . 7 1 1 A 61 61 SER N N 61 114.913 116.091 -1.178 1
1 405 . 7 1 1 A 62 62 ALA H H 62 9.027 8.767 0.260 1
1 406 . 7 1 1 A 62 62 ALA HA H 62 4.435 4.459 -0.024 1
1 410 . 7 1 1 A 62 62 ALA N N 62 129.628 129.942 -0.314 1
1 411 . 7 1 1 A 63 63 ASP H H 63 8.080 7.880 0.200 1
1 412 . 7 1 1 A 63 63 ASP HA H 63 4.895 5.019 -0.124 1
1 415 . 7 1 1 A 63 63 ASP N N 63 121.506 116.020 5.486 1
1 416 . 7 1 1 A 64 64 CYS H H 64 8.924 8.803 0.121 1
1 417 . 7 1 1 A 64 64 CYS HA H 64 5.403 5.251 0.152 1
1 420 . 7 1 1 A 64 64 CYS N N 64 125.936 119.594 6.342 1
1 421 . 7 1 1 A 65 65 PRO HA H 65 4.375 4.643 -0.268 1
1 428 . 7 1 1 A 66 66 ARG H H 66 8.203 8.709 -0.506 1
1 429 . 7 1 1 A 66 66 ARG HA H 66 4.362 4.651 -0.289 1
1 436 . 7 1 1 A 66 66 ARG N N 66 123.580 122.009 1.571 1
1 437 . 7 1 1 A 67 67 TYR H H 67 8.650 8.720 -0.070 1
1 438 . 7 1 1 A 67 67 TYR HA H 67 4.459 4.635 -0.176 1
1 445 . 7 1 1 A 67 67 TYR N N 67 128.872 127.567 1.305 1
1 5 . 8 1 1 A 2 2 LYS H H 2 8.331 8.448 -0.117 1
1 10 . 8 1 1 A 2 2 LYS N N 2 125.285 120.362 4.923 1
1 11 . 8 1 1 A 3 3 GLU H H 3 8.659 8.710 -0.051 1
1 12 . 8 1 1 A 3 3 GLU HA H 3 4.322 4.438 -0.116 1
1 17 . 8 1 1 A 3 3 GLU N N 3 125.356 118.653 6.703 1
1 18 . 8 1 1 A 4 4 CYS H H 4 8.116 7.916 0.200 1
1 19 . 8 1 1 A 4 4 CYS HA H 4 4.975 5.575 -0.600 1
1 22 . 8 1 1 A 4 4 CYS N N 4 123.773 117.443 6.330 1
1 23 . 8 1 1 A 5 5 ASP H H 5 8.776 8.794 -0.018 1
1 24 . 8 1 1 A 5 5 ASP HA H 5 4.817 4.757 0.060 1
1 27 . 8 1 1 A 5 5 ASP N N 5 123.756 125.734 -1.978 1
1 28 . 8 1 1 A 6 6 CYS H H 6 6.975 7.652 -0.677 1
1 29 . 8 1 1 A 6 6 CYS HA H 6 4.931 4.775 0.156 1
1 32 . 8 1 1 A 6 6 CYS N N 6 116.724 114.114 2.610 1
1 33 . 8 1 1 A 7 7 SER H H 7 9.659 8.560 1.099 1
1 34 . 8 1 1 A 7 7 SER HA H 7 4.226 4.639 -0.413 1
1 37 . 8 1 1 A 7 7 SER N N 7 123.545 115.722 7.823 1
1 38 . 8 1 1 A 8 8 SER H H 8 7.862 7.983 -0.121 1
1 39 . 8 1 1 A 8 8 SER HA H 8 5.137 4.738 0.399 1
1 42 . 8 1 1 A 8 8 SER N N 8 119.712 117.533 2.179 1
1 43 . 8 1 1 A 9 9 PRO HA H 9 4.559 4.524 0.035 1
1 50 . 8 1 1 A 10 10 GLU H H 10 8.244 8.231 0.013 1
1 51 . 8 1 1 A 10 10 GLU HA H 10 4.294 4.544 -0.250 1
1 56 . 8 1 1 A 10 10 GLU N N 10 120.855 119.236 1.619 1
1 57 . 8 1 1 A 11 11 ASN H H 11 7.260 6.992 0.268 1
1 58 . 8 1 1 A 11 11 ASN HA H 11 4.794 5.022 -0.228 1
1 63 . 8 1 1 A 11 11 ASN N N 11 124.776 118.364 6.412 1
1 65 . 8 1 1 A 12 12 PRO HA H 12 4.704 4.450 0.254 1
1 72 . 8 1 1 A 13 13 CYS H H 13 8.931 8.167 0.764 1
1 73 . 8 1 1 A 13 13 CYS HA H 13 4.648 4.672 -0.024 1
1 76 . 8 1 1 A 13 13 CYS N N 13 121.945 116.372 5.573 1
1 77 . 8 1 1 A 14 14 CYS H H 14 7.543 7.623 -0.080 1
1 78 . 8 1 1 A 14 14 CYS HA H 14 5.056 5.239 -0.183 1
1 81 . 8 1 1 A 14 14 CYS N N 14 116.460 116.091 0.369 1
1 82 . 8 1 1 A 15 15 ASP H H 15 8.212 9.269 -1.057 1
1 83 . 8 1 1 A 15 15 ASP HA H 15 4.570 4.641 -0.071 1
1 86 . 8 1 1 A 15 15 ASP N N 15 125.197 123.708 1.489 1
1 87 . 8 1 1 A 16 16 ALA H H 16 8.996 9.049 -0.053 1
1 88 . 8 1 1 A 16 16 ALA HA H 16 4.148 4.184 -0.036 1
1 92 . 8 1 1 A 16 16 ALA N N 16 135.341 128.747 6.594 1
1 93 . 8 1 1 A 17 17 ALA H H 17 8.669 7.574 1.095 1
1 94 . 8 1 1 A 17 17 ALA HA H 17 4.361 4.112 0.249 1
1 98 . 8 1 1 A 17 17 ALA N N 17 121.910 119.317 2.593 1
1 99 . 8 1 1 A 18 18 THR H H 18 7.743 7.899 -0.156 1
1 100 . 8 1 1 A 18 18 THR HA H 18 4.445 4.458 -0.013 1
1 105 . 8 1 1 A 18 18 THR N N 18 109.481 109.729 -0.248 1
1 106 . 8 1 1 A 19 19 CYS H H 19 8.601 7.883 0.718 1
1 107 . 8 1 1 A 19 19 CYS HA H 19 4.642 4.275 0.367 1
1 110 . 8 1 1 A 19 19 CYS N N 19 123.176 120.214 2.962 1
1 111 . 8 1 1 A 20 20 LYS H H 20 7.964 7.165 0.799 1
1 112 . 8 1 1 A 20 20 LYS HA H 20 4.945 4.747 0.198 1
1 117 . 8 1 1 A 20 20 LYS N N 20 122.525 118.976 3.549 1
1 118 . 8 1 1 A 21 21 LEU H H 21 9.211 8.601 0.610 1
1 119 . 8 1 1 A 21 21 LEU HA H 21 4.285 4.295 -0.010 1
1 129 . 8 1 1 A 21 21 LEU N N 21 124.582 124.057 0.525 1
1 130 . 8 1 1 A 22 22 ARG H H 22 8.490 8.358 0.132 1
1 131 . 8 1 1 A 22 22 ARG HA H 22 4.448 4.334 0.114 1
1 137 . 8 1 1 A 22 22 ARG N N 22 126.604 125.686 0.918 1
1 139 . 8 1 1 A 23 23 PRO HA H 23 4.389 4.474 -0.085 1
1 144 . 8 1 1 A 24 24 GLY H H 24 8.830 8.307 0.523 1
1 145 . 8 1 1 A 24 24 GLY HA2 H 24 4.295 3.814 0.481 1
1 146 . 8 1 1 A 24 24 GLY HA3 H 24 3.664 3.817 -0.153 1
1 147 . 8 1 1 A 24 24 GLY N N 24 117.708 106.989 10.719 1
1 148 . 8 1 1 A 25 25 ALA H H 25 7.942 8.084 -0.142 1
1 149 . 8 1 1 A 25 25 ALA HA H 25 4.540 4.406 0.134 1
1 153 . 8 1 1 A 25 25 ALA N N 25 127.553 123.347 4.206 1
1 154 . 8 1 1 A 26 26 GLN H H 26 8.827 8.727 0.100 1
1 155 . 8 1 1 A 26 26 GLN HA H 26 4.113 4.154 -0.041 1
1 162 . 8 1 1 A 26 26 GLN N N 26 122.086 118.067 4.019 1
1 164 . 8 1 1 A 27 27 CYS H H 27 7.805 7.076 0.729 1
1 165 . 8 1 1 A 27 27 CYS HA H 27 4.555 4.836 -0.281 1
1 168 . 8 1 1 A 27 27 CYS N N 27 117.409 113.625 3.784 1
1 169 . 8 1 1 A 28 28 GLY H H 28 9.163 8.701 0.462 1
1 170 . 8 1 1 A 28 28 GLY HA2 H 28 4.446 3.858 0.588 1
1 171 . 8 1 1 A 28 28 GLY HA3 H 28 3.574 3.872 -0.298 1
1 172 . 8 1 1 A 28 28 GLY N N 28 109.041 111.647 -2.606 1
1 173 . 8 1 1 A 29 29 GLU H H 29 7.844 7.835 0.009 1
1 174 . 8 1 1 A 29 29 GLU HA H 29 4.782 4.753 0.029 1
1 179 . 8 1 1 A 29 29 GLU N N 29 122.174 115.494 6.680 1
1 180 . 8 1 1 A 30 30 GLY H H 30 8.391 8.445 -0.054 1
1 181 . 8 1 1 A 30 30 GLY HA2 H 30 4.915 4.307 0.608 1
1 182 . 8 1 1 A 30 30 GLY HA3 H 30 3.925 4.333 -0.408 1
1 183 . 8 1 1 A 30 30 GLY N N 30 112.663 107.070 5.593 1
1 184 . 8 1 1 A 31 31 LEU H H 31 8.960 8.727 0.233 1
1 185 . 8 1 1 A 31 31 LEU HA H 31 4.354 4.017 0.337 1
1 195 . 8 1 1 A 31 31 LEU N N 31 125.039 119.832 5.207 1
1 196 . 8 1 1 A 32 32 CYS H H 32 8.467 8.618 -0.151 1
1 197 . 8 1 1 A 32 32 CYS HA H 32 5.108 4.785 0.323 1
1 200 . 8 1 1 A 32 32 CYS N N 32 119.167 116.009 3.158 1
1 201 . 8 1 1 A 33 33 CYS H H 33 7.365 7.691 -0.326 1
1 202 . 8 1 1 A 33 33 CYS HA H 33 5.291 5.833 -0.542 1
1 205 . 8 1 1 A 33 33 CYS N N 33 125.303 120.158 5.145 1
1 206 . 8 1 1 A 34 34 GLU H H 34 9.742 8.693 1.049 1
1 207 . 8 1 1 A 34 34 GLU HA H 34 4.682 4.809 -0.127 1
1 212 . 8 1 1 A 34 34 GLU N N 34 132.652 126.834 5.818 1
1 213 . 8 1 1 A 35 35 GLN H H 35 9.453 9.488 -0.035 1
1 214 . 8 1 1 A 35 35 GLN HA H 35 3.999 3.925 0.074 1
1 219 . 8 1 1 A 35 35 GLN N N 35 129.593 118.411 11.182 1
1 221 . 8 1 1 A 36 36 CYS H H 36 8.492 8.420 0.072 1
1 222 . 8 1 1 A 36 36 CYS HA H 36 4.801 4.109 0.692 1
1 225 . 8 1 1 A 36 36 CYS N N 36 109.569 109.001 0.568 1
1 226 . 8 1 1 A 37 37 LYS H H 37 8.024 7.270 0.754 1
1 227 . 8 1 1 A 37 37 LYS HA H 37 4.703 4.664 0.039 1
1 236 . 8 1 1 A 37 37 LYS N N 37 125.110 119.182 5.928 1
1 237 . 8 1 1 A 38 38 PHE H H 38 8.276 8.435 -0.159 1
1 238 . 8 1 1 A 38 38 PHE HA H 38 5.141 4.554 0.587 1
1 245 . 8 1 1 A 38 38 PHE N N 38 123.897 120.261 3.636 1
1 246 . 8 1 1 A 39 39 SER H H 39 9.044 8.778 0.266 1
1 247 . 8 1 1 A 39 39 SER HA H 39 4.274 4.569 -0.295 1
1 250 . 8 1 1 A 39 39 SER N N 39 125.655 119.598 6.057 1
1 251 . 8 1 1 A 40 40 ARG H H 40 8.573 8.395 0.178 1
1 252 . 8 1 1 A 40 40 ARG HA H 40 4.101 4.793 -0.692 1
1 259 . 8 1 1 A 40 40 ARG N N 40 125.848 120.016 5.832 1
1 260 . 8 1 1 A 41 41 ALA H H 41 8.501 8.542 -0.041 1
1 261 . 8 1 1 A 41 41 ALA HA H 41 3.724 4.510 -0.786 1
1 265 . 8 1 1 A 41 41 ALA N N 41 127.729 123.787 3.942 1
1 266 . 8 1 1 A 42 42 GLY H H 42 8.619 8.574 0.045 1
1 267 . 8 1 1 A 42 42 GLY HA2 H 42 4.486 3.874 0.612 1
1 268 . 8 1 1 A 42 42 GLY HA3 H 42 3.587 3.878 -0.291 1
1 269 . 8 1 1 A 42 42 GLY N N 42 114.579 109.410 5.169 1
1 270 . 8 1 1 A 43 43 LYS H H 43 7.535 7.392 0.143 1
1 271 . 8 1 1 A 43 43 LYS HA H 43 4.149 4.567 -0.418 1
1 280 . 8 1 1 A 43 43 LYS N N 43 126.780 121.458 5.322 1
1 281 . 8 1 1 A 44 44 ILE H H 44 8.810 8.480 0.330 1
1 282 . 8 1 1 A 44 44 ILE HA H 44 4.167 4.648 -0.481 1
1 290 . 8 1 1 A 44 44 ILE N N 44 133.179 126.641 6.538 1
1 291 . 8 1 1 A 45 45 CYS H H 45 9.355 8.703 0.652 1
1 292 . 8 1 1 A 45 45 CYS HA H 45 5.160 4.781 0.379 1
1 295 . 8 1 1 A 45 45 CYS N N 45 127.500 125.686 1.814 1
1 296 . 8 1 1 A 46 46 ARG H H 46 7.675 7.642 0.033 1
1 297 . 8 1 1 A 46 46 ARG HA H 46 4.469 4.729 -0.260 1
1 304 . 8 1 1 A 46 46 ARG N N 46 126.375 119.567 6.808 1
1 305 . 8 1 1 A 47 47 ILE H H 47 8.400 8.975 -0.575 1
1 306 . 8 1 1 A 47 47 ILE HA H 47 4.663 4.833 -0.170 1
1 316 . 8 1 1 A 47 47 ILE N N 47 129.510 125.462 4.048 1
1 317 . 8 1 1 A 48 48 PRO HA H 48 4.491 4.682 -0.191 1
1 324 . 8 1 1 A 49 49 ARG H H 49 8.331 8.419 -0.088 1
1 325 . 8 1 1 A 49 49 ARG HA H 49 4.398 4.565 -0.167 1
1 332 . 8 1 1 A 49 49 ARG N N 49 122.965 122.402 0.563 1
1 333 . 8 1 1 A 50 50 GLY H H 50 8.426 7.977 0.449 1
1 334 . 8 1 1 A 50 50 GLY HA2 H 50 3.958 4.103 -0.145 1
1 335 . 8 1 1 A 50 50 GLY HA3 H 50 3.915 4.107 -0.192 1
1 336 . 8 1 1 A 50 50 GLY N N 50 114.157 112.868 1.289 1
1 337 . 8 1 1 A 51 51 GLU H H 51 8.753 8.736 0.017 1
1 338 . 8 1 1 A 51 51 GLU HA H 51 4.345 4.368 -0.023 1
1 343 . 8 1 1 A 51 51 GLU N N 51 125.370 121.470 3.900 1
1 344 . 8 1 1 A 52 52 MET H H 52 7.745 7.562 0.183 1
1 345 . 8 1 1 A 52 52 MET HA H 52 4.839 4.502 0.337 1
1 350 . 8 1 1 A 52 52 MET N N 52 125.080 121.886 3.194 1
1 351 . 8 1 1 A 53 53 PRO HA H 53 4.485 4.541 -0.056 1
1 358 . 8 1 1 A 54 54 ASP H H 54 8.114 8.290 -0.176 1
1 359 . 8 1 1 A 54 54 ASP HA H 54 4.577 4.745 -0.168 1
1 362 . 8 1 1 A 54 54 ASP N N 54 122.385 121.734 0.651 1
1 363 . 8 1 1 A 55 55 ASP H H 55 8.388 8.312 0.076 1
1 364 . 8 1 1 A 55 55 ASP HA H 55 5.052 5.355 -0.303 1
1 367 . 8 1 1 A 55 55 ASP N N 55 124.758 122.757 2.001 1
1 368 . 8 1 1 A 56 56 ARG H H 56 8.358 9.024 -0.666 1
1 369 . 8 1 1 A 56 56 ARG HA H 56 5.332 5.470 -0.138 1
1 376 . 8 1 1 A 56 56 ARG N N 56 123.703 124.233 -0.530 1
1 378 . 8 1 1 A 57 57 CYS H H 57 9.377 9.353 0.024 1
1 379 . 8 1 1 A 57 57 CYS HA H 57 4.862 4.617 0.245 1
1 382 . 8 1 1 A 57 57 CYS N N 57 123.897 121.653 2.244 1
1 383 . 8 1 1 A 58 58 THR H H 58 10.180 8.542 1.638 1
1 384 . 8 1 1 A 58 58 THR HA H 58 4.442 4.633 -0.191 1
1 389 . 8 1 1 A 58 58 THR N N 58 117.445 114.964 2.481 1
1 390 . 8 1 1 A 59 59 GLY H H 59 8.546 7.825 0.721 1
1 391 . 8 1 1 A 59 59 GLY HA2 H 59 4.460 3.992 0.468 1
1 392 . 8 1 1 A 59 59 GLY HA3 H 59 4.460 4.005 0.455 1
1 393 . 8 1 1 A 59 59 GLY N N 59 115.880 110.878 5.002 1
1 394 . 8 1 1 A 60 60 GLN H H 60 7.986 8.347 -0.361 1
1 395 . 8 1 1 A 60 60 GLN HA H 60 4.298 4.218 0.080 1
1 398 . 8 1 1 A 60 60 GLN N N 60 119.027 118.399 0.628 1
1 400 . 8 1 1 A 61 61 SER H H 61 6.630 7.626 -0.996 1
1 401 . 8 1 1 A 61 61 SER HA H 61 3.880 4.421 -0.541 1
1 404 . 8 1 1 A 61 61 SER N N 61 114.913 116.676 -1.763 1
1 405 . 8 1 1 A 62 62 ALA H H 62 9.027 8.512 0.515 1
1 406 . 8 1 1 A 62 62 ALA HA H 62 4.435 4.291 0.144 1
1 410 . 8 1 1 A 62 62 ALA N N 62 129.628 129.582 0.046 1
1 411 . 8 1 1 A 63 63 ASP H H 63 8.080 7.987 0.093 1
1 412 . 8 1 1 A 63 63 ASP HA H 63 4.895 4.836 0.059 1
1 415 . 8 1 1 A 63 63 ASP N N 63 121.506 116.582 4.924 1
1 416 . 8 1 1 A 64 64 CYS H H 64 8.924 8.375 0.549 1
1 417 . 8 1 1 A 64 64 CYS HA H 64 5.403 5.068 0.335 1
1 420 . 8 1 1 A 64 64 CYS N N 64 125.936 119.562 6.374 1
1 421 . 8 1 1 A 65 65 PRO HA H 65 4.375 4.405 -0.030 1
1 428 . 8 1 1 A 66 66 ARG H H 66 8.203 7.648 0.555 1
1 429 . 8 1 1 A 66 66 ARG HA H 66 4.362 4.741 -0.379 1
1 436 . 8 1 1 A 66 66 ARG N N 66 123.580 113.614 9.966 1
1 437 . 8 1 1 A 67 67 TYR H H 67 8.650 9.028 -0.378 1
1 438 . 8 1 1 A 67 67 TYR HA H 67 4.459 4.383 0.076 1
1 445 . 8 1 1 A 67 67 TYR N N 67 128.872 118.453 10.419 1
1 5 . 9 1 1 A 2 2 LYS H H 2 8.331 8.424 -0.093 1
1 10 . 9 1 1 A 2 2 LYS N N 2 125.285 124.567 0.718 1
1 11 . 9 1 1 A 3 3 GLU H H 3 8.659 8.695 -0.036 1
1 12 . 9 1 1 A 3 3 GLU HA H 3 4.322 4.483 -0.161 1
1 17 . 9 1 1 A 3 3 GLU N N 3 125.356 127.000 -1.644 1
1 18 . 9 1 1 A 4 4 CYS H H 4 8.116 7.847 0.269 1
1 19 . 9 1 1 A 4 4 CYS HA H 4 4.975 5.427 -0.452 1
1 22 . 9 1 1 A 4 4 CYS N N 4 123.773 117.150 6.623 1
1 23 . 9 1 1 A 5 5 ASP H H 5 8.776 10.232 -1.456 1
1 24 . 9 1 1 A 5 5 ASP HA H 5 4.817 4.791 0.026 1
1 27 . 9 1 1 A 5 5 ASP N N 5 123.756 124.451 -0.695 1
1 28 . 9 1 1 A 6 6 CYS H H 6 6.975 7.501 -0.526 1
1 29 . 9 1 1 A 6 6 CYS HA H 6 4.931 4.874 0.057 1
1 32 . 9 1 1 A 6 6 CYS N N 6 116.724 113.425 3.299 1
1 33 . 9 1 1 A 7 7 SER H H 7 9.659 8.766 0.893 1
1 34 . 9 1 1 A 7 7 SER HA H 7 4.226 4.376 -0.150 1
1 37 . 9 1 1 A 7 7 SER N N 7 123.545 117.255 6.290 1
1 38 . 9 1 1 A 8 8 SER H H 8 7.862 7.699 0.163 1
1 39 . 9 1 1 A 8 8 SER HA H 8 5.137 4.727 0.410 1
1 42 . 9 1 1 A 8 8 SER N N 8 119.712 118.126 1.586 1
1 43 . 9 1 1 A 9 9 PRO HA H 9 4.559 4.620 -0.061 1
1 50 . 9 1 1 A 10 10 GLU H H 10 8.244 8.339 -0.095 1
1 51 . 9 1 1 A 10 10 GLU HA H 10 4.294 4.625 -0.331 1
1 56 . 9 1 1 A 10 10 GLU N N 10 120.855 116.871 3.984 1
1 57 . 9 1 1 A 11 11 ASN H H 11 7.260 7.816 -0.556 1
1 58 . 9 1 1 A 11 11 ASN HA H 11 4.794 5.024 -0.230 1
1 63 . 9 1 1 A 11 11 ASN N N 11 124.776 119.599 5.177 1
1 65 . 9 1 1 A 12 12 PRO HA H 12 4.704 4.465 0.239 1
1 72 . 9 1 1 A 13 13 CYS H H 13 8.931 8.263 0.668 1
1 73 . 9 1 1 A 13 13 CYS HA H 13 4.648 4.365 0.283 1
1 76 . 9 1 1 A 13 13 CYS N N 13 121.945 114.636 7.309 1
1 77 . 9 1 1 A 14 14 CYS H H 14 7.543 7.842 -0.299 1
1 78 . 9 1 1 A 14 14 CYS HA H 14 5.056 5.029 0.027 1
1 81 . 9 1 1 A 14 14 CYS N N 14 116.460 116.051 0.409 1
1 82 . 9 1 1 A 15 15 ASP H H 15 8.212 10.128 -1.916 1
1 83 . 9 1 1 A 15 15 ASP HA H 15 4.570 5.024 -0.454 1
1 86 . 9 1 1 A 15 15 ASP N N 15 125.197 121.079 4.118 1
1 87 . 9 1 1 A 16 16 ALA H H 16 8.996 9.007 -0.011 1
1 88 . 9 1 1 A 16 16 ALA HA H 16 4.148 3.983 0.165 1
1 92 . 9 1 1 A 16 16 ALA N N 16 135.341 128.668 6.673 1
1 93 . 9 1 1 A 17 17 ALA H H 17 8.669 7.899 0.770 1
1 94 . 9 1 1 A 17 17 ALA HA H 17 4.361 4.057 0.304 1
1 98 . 9 1 1 A 17 17 ALA N N 17 121.910 119.817 2.093 1
1 99 . 9 1 1 A 18 18 THR H H 18 7.743 7.874 -0.131 1
1 100 . 9 1 1 A 18 18 THR HA H 18 4.445 4.406 0.039 1
1 105 . 9 1 1 A 18 18 THR N N 18 109.481 108.921 0.560 1
1 106 . 9 1 1 A 19 19 CYS H H 19 8.601 8.576 0.025 1
1 107 . 9 1 1 A 19 19 CYS HA H 19 4.642 4.161 0.481 1
1 110 . 9 1 1 A 19 19 CYS N N 19 123.176 120.248 2.928 1
1 111 . 9 1 1 A 20 20 LYS H H 20 7.964 7.284 0.680 1
1 112 . 9 1 1 A 20 20 LYS HA H 20 4.945 4.778 0.167 1
1 117 . 9 1 1 A 20 20 LYS N N 20 122.525 119.992 2.533 1
1 118 . 9 1 1 A 21 21 LEU H H 21 9.211 8.815 0.396 1
1 119 . 9 1 1 A 21 21 LEU HA H 21 4.285 4.435 -0.150 1
1 129 . 9 1 1 A 21 21 LEU N N 21 124.582 122.360 2.222 1
1 130 . 9 1 1 A 22 22 ARG H H 22 8.490 8.370 0.120 1
1 131 . 9 1 1 A 22 22 ARG HA H 22 4.448 4.262 0.186 1
1 137 . 9 1 1 A 22 22 ARG N N 22 126.604 125.100 1.504 1
1 139 . 9 1 1 A 23 23 PRO HA H 23 4.389 4.513 -0.124 1
1 144 . 9 1 1 A 24 24 GLY H H 24 8.830 8.335 0.495 1
1 145 . 9 1 1 A 24 24 GLY HA2 H 24 4.295 3.900 0.395 1
1 146 . 9 1 1 A 24 24 GLY HA3 H 24 3.664 3.903 -0.239 1
1 147 . 9 1 1 A 24 24 GLY N N 24 117.708 106.468 11.240 1
1 148 . 9 1 1 A 25 25 ALA H H 25 7.942 7.764 0.178 1
1 149 . 9 1 1 A 25 25 ALA HA H 25 4.540 4.213 0.327 1
1 153 . 9 1 1 A 25 25 ALA N N 25 127.553 123.201 4.352 1
1 154 . 9 1 1 A 26 26 GLN H H 26 8.827 8.720 0.107 1
1 155 . 9 1 1 A 26 26 GLN HA H 26 4.113 3.943 0.170 1
1 162 . 9 1 1 A 26 26 GLN N N 26 122.086 121.648 0.438 1
1 164 . 9 1 1 A 27 27 CYS H H 27 7.805 7.441 0.364 1
1 165 . 9 1 1 A 27 27 CYS HA H 27 4.555 4.978 -0.423 1
1 168 . 9 1 1 A 27 27 CYS N N 27 117.409 112.799 4.610 1
1 169 . 9 1 1 A 28 28 GLY H H 28 9.163 8.740 0.423 1
1 170 . 9 1 1 A 28 28 GLY HA2 H 28 4.446 3.899 0.547 1
1 171 . 9 1 1 A 28 28 GLY HA3 H 28 3.574 3.899 -0.325 1
1 172 . 9 1 1 A 28 28 GLY N N 28 109.041 111.277 -2.236 1
1 173 . 9 1 1 A 29 29 GLU H H 29 7.844 7.707 0.137 1
1 174 . 9 1 1 A 29 29 GLU HA H 29 4.782 4.771 0.011 1
1 179 . 9 1 1 A 29 29 GLU N N 29 122.174 118.200 3.974 1
1 180 . 9 1 1 A 30 30 GLY H H 30 8.391 8.458 -0.067 1
1 181 . 9 1 1 A 30 30 GLY HA2 H 30 4.915 4.265 0.650 1
1 182 . 9 1 1 A 30 30 GLY HA3 H 30 3.925 4.266 -0.341 1
1 183 . 9 1 1 A 30 30 GLY N N 30 112.663 111.169 1.494 1
1 184 . 9 1 1 A 31 31 LEU H H 31 8.960 8.666 0.294 1
1 185 . 9 1 1 A 31 31 LEU HA H 31 4.354 4.091 0.263 1
1 195 . 9 1 1 A 31 31 LEU N N 31 125.039 119.492 5.547 1
1 196 . 9 1 1 A 32 32 CYS H H 32 8.467 8.672 -0.205 1
1 197 . 9 1 1 A 32 32 CYS HA H 32 5.108 4.703 0.405 1
1 200 . 9 1 1 A 32 32 CYS N N 32 119.167 114.799 4.368 1
1 201 . 9 1 1 A 33 33 CYS H H 33 7.365 8.059 -0.694 1
1 202 . 9 1 1 A 33 33 CYS HA H 33 5.291 5.439 -0.148 1
1 205 . 9 1 1 A 33 33 CYS N N 33 125.303 121.342 3.961 1
1 206 . 9 1 1 A 34 34 GLU H H 34 9.742 8.520 1.222 1
1 207 . 9 1 1 A 34 34 GLU HA H 34 4.682 4.734 -0.052 1
1 212 . 9 1 1 A 34 34 GLU N N 34 132.652 126.399 6.253 1
1 213 . 9 1 1 A 35 35 GLN H H 35 9.453 9.529 -0.076 1
1 214 . 9 1 1 A 35 35 GLN HA H 35 3.999 3.933 0.066 1
1 219 . 9 1 1 A 35 35 GLN N N 35 129.593 122.876 6.717 1
1 221 . 9 1 1 A 36 36 CYS H H 36 8.492 8.443 0.049 1
1 222 . 9 1 1 A 36 36 CYS HA H 36 4.801 4.561 0.240 1
1 225 . 9 1 1 A 36 36 CYS N N 36 109.569 109.645 -0.076 1
1 226 . 9 1 1 A 37 37 LYS H H 37 8.024 7.658 0.366 1
1 227 . 9 1 1 A 37 37 LYS HA H 37 4.703 4.878 -0.175 1
1 236 . 9 1 1 A 37 37 LYS N N 37 125.110 118.864 6.246 1
1 237 . 9 1 1 A 38 38 PHE H H 38 8.276 8.606 -0.330 1
1 238 . 9 1 1 A 38 38 PHE HA H 38 5.141 4.486 0.655 1
1 245 . 9 1 1 A 38 38 PHE N N 38 123.897 120.186 3.711 1
1 246 . 9 1 1 A 39 39 SER H H 39 9.044 8.465 0.579 1
1 247 . 9 1 1 A 39 39 SER HA H 39 4.274 4.587 -0.313 1
1 250 . 9 1 1 A 39 39 SER N N 39 125.655 119.021 6.634 1
1 251 . 9 1 1 A 40 40 ARG H H 40 8.573 8.599 -0.026 1
1 252 . 9 1 1 A 40 40 ARG HA H 40 4.101 4.992 -0.891 1
1 259 . 9 1 1 A 40 40 ARG N N 40 125.848 120.985 4.863 1
1 260 . 9 1 1 A 41 41 ALA H H 41 8.501 8.575 -0.074 1
1 261 . 9 1 1 A 41 41 ALA HA H 41 3.724 4.518 -0.794 1
1 265 . 9 1 1 A 41 41 ALA N N 41 127.729 126.227 1.502 1
1 266 . 9 1 1 A 42 42 GLY H H 42 8.619 8.653 -0.034 1
1 267 . 9 1 1 A 42 42 GLY HA2 H 42 4.486 3.846 0.640 1
1 268 . 9 1 1 A 42 42 GLY HA3 H 42 3.587 3.853 -0.266 1
1 269 . 9 1 1 A 42 42 GLY N N 42 114.579 109.493 5.086 1
1 270 . 9 1 1 A 43 43 LYS H H 43 7.535 7.205 0.330 1
1 271 . 9 1 1 A 43 43 LYS HA H 43 4.149 4.676 -0.527 1
1 280 . 9 1 1 A 43 43 LYS N N 43 126.780 120.256 6.524 1
1 281 . 9 1 1 A 44 44 ILE H H 44 8.810 8.467 0.343 1
1 282 . 9 1 1 A 44 44 ILE HA H 44 4.167 4.614 -0.447 1
1 290 . 9 1 1 A 44 44 ILE N N 44 133.179 126.549 6.630 1
1 291 . 9 1 1 A 45 45 CYS H H 45 9.355 10.145 -0.790 1
1 292 . 9 1 1 A 45 45 CYS HA H 45 5.160 4.759 0.401 1
1 295 . 9 1 1 A 45 45 CYS N N 45 127.500 125.104 2.396 1
1 296 . 9 1 1 A 46 46 ARG H H 46 7.675 7.569 0.106 1
1 297 . 9 1 1 A 46 46 ARG HA H 46 4.469 4.848 -0.379 1
1 304 . 9 1 1 A 46 46 ARG N N 46 126.375 118.852 7.523 1
1 305 . 9 1 1 A 47 47 ILE H H 47 8.400 8.918 -0.518 1
1 306 . 9 1 1 A 47 47 ILE HA H 47 4.663 4.780 -0.117 1
1 316 . 9 1 1 A 47 47 ILE N N 47 129.510 123.801 5.709 1
1 317 . 9 1 1 A 48 48 PRO HA H 48 4.491 4.800 -0.309 1
1 324 . 9 1 1 A 49 49 ARG H H 49 8.331 8.467 -0.136 1
1 325 . 9 1 1 A 49 49 ARG HA H 49 4.398 4.715 -0.317 1
1 332 . 9 1 1 A 49 49 ARG N N 49 122.965 122.544 0.421 1
1 333 . 9 1 1 A 50 50 GLY H H 50 8.426 8.465 -0.039 1
1 334 . 9 1 1 A 50 50 GLY HA2 H 50 3.958 4.175 -0.217 1
1 335 . 9 1 1 A 50 50 GLY HA3 H 50 3.915 4.177 -0.262 1
1 336 . 9 1 1 A 50 50 GLY N N 50 114.157 114.223 -0.066 1
1 337 . 9 1 1 A 51 51 GLU H H 51 8.753 8.503 0.250 1
1 338 . 9 1 1 A 51 51 GLU HA H 51 4.345 3.866 0.479 1
1 343 . 9 1 1 A 51 51 GLU N N 51 125.370 111.935 13.435 1
1 344 . 9 1 1 A 52 52 MET H H 52 7.745 7.761 -0.016 1
1 345 . 9 1 1 A 52 52 MET HA H 52 4.839 4.988 -0.149 1
1 350 . 9 1 1 A 52 52 MET N N 52 125.080 118.861 6.219 1
1 351 . 9 1 1 A 53 53 PRO HA H 53 4.485 4.571 -0.086 1
1 358 . 9 1 1 A 54 54 ASP H H 54 8.114 8.377 -0.263 1
1 359 . 9 1 1 A 54 54 ASP HA H 54 4.577 5.176 -0.599 1
1 362 . 9 1 1 A 54 54 ASP N N 54 122.385 120.050 2.335 1
1 363 . 9 1 1 A 55 55 ASP H H 55 8.388 8.371 0.017 1
1 364 . 9 1 1 A 55 55 ASP HA H 55 5.052 5.134 -0.082 1
1 367 . 9 1 1 A 55 55 ASP N N 55 124.758 120.401 4.357 1
1 368 . 9 1 1 A 56 56 ARG H H 56 8.358 8.929 -0.571 1
1 369 . 9 1 1 A 56 56 ARG HA H 56 5.332 5.024 0.308 1
1 376 . 9 1 1 A 56 56 ARG N N 56 123.703 125.150 -1.447 1
1 378 . 9 1 1 A 57 57 CYS H H 57 9.377 9.783 -0.406 1
1 379 . 9 1 1 A 57 57 CYS HA H 57 4.862 4.663 0.199 1
1 382 . 9 1 1 A 57 57 CYS N N 57 123.897 125.140 -1.243 1
1 383 . 9 1 1 A 58 58 THR H H 58 10.180 8.533 1.647 1
1 384 . 9 1 1 A 58 58 THR HA H 58 4.442 4.680 -0.238 1
1 389 . 9 1 1 A 58 58 THR N N 58 117.445 114.317 3.128 1
1 390 . 9 1 1 A 59 59 GLY H H 59 8.546 7.732 0.814 1
1 391 . 9 1 1 A 59 59 GLY HA2 H 59 4.460 4.005 0.455 1
1 392 . 9 1 1 A 59 59 GLY HA3 H 59 4.460 4.015 0.445 1
1 393 . 9 1 1 A 59 59 GLY N N 59 115.880 110.778 5.102 1
1 394 . 9 1 1 A 60 60 GLN H H 60 7.986 8.123 -0.137 1
1 395 . 9 1 1 A 60 60 GLN HA H 60 4.298 4.502 -0.204 1
1 398 . 9 1 1 A 60 60 GLN N N 60 119.027 119.988 -0.961 1
1 400 . 9 1 1 A 61 61 SER H H 61 6.630 7.574 -0.944 1
1 401 . 9 1 1 A 61 61 SER HA H 61 3.880 4.214 -0.334 1
1 404 . 9 1 1 A 61 61 SER N N 61 114.913 115.898 -0.985 1
1 405 . 9 1 1 A 62 62 ALA H H 62 9.027 8.149 0.878 1
1 406 . 9 1 1 A 62 62 ALA HA H 62 4.435 4.235 0.200 1
1 410 . 9 1 1 A 62 62 ALA N N 62 129.628 128.209 1.419 1
1 411 . 9 1 1 A 63 63 ASP H H 63 8.080 7.697 0.383 1
1 412 . 9 1 1 A 63 63 ASP HA H 63 4.895 4.842 0.053 1
1 415 . 9 1 1 A 63 63 ASP N N 63 121.506 116.068 5.438 1
1 416 . 9 1 1 A 64 64 CYS H H 64 8.924 8.660 0.264 1
1 417 . 9 1 1 A 64 64 CYS HA H 64 5.403 5.177 0.226 1
1 420 . 9 1 1 A 64 64 CYS N N 64 125.936 118.798 7.138 1
1 421 . 9 1 1 A 65 65 PRO HA H 65 4.375 4.599 -0.224 1
1 428 . 9 1 1 A 66 66 ARG H H 66 8.203 8.567 -0.364 1
1 429 . 9 1 1 A 66 66 ARG HA H 66 4.362 5.107 -0.745 1
1 436 . 9 1 1 A 66 66 ARG N N 66 123.580 117.828 5.752 1
1 437 . 9 1 1 A 67 67 TYR H H 67 8.650 8.902 -0.252 1
1 438 . 9 1 1 A 67 67 TYR HA H 67 4.459 4.731 -0.272 1
1 445 . 9 1 1 A 67 67 TYR N N 67 128.872 122.267 6.605 1
1 5 . 10 1 1 A 2 2 LYS H H 2 8.331 8.372 -0.041 1
1 10 . 10 1 1 A 2 2 LYS N N 2 125.285 121.269 4.016 1
1 11 . 10 1 1 A 3 3 GLU H H 3 8.659 8.830 -0.171 1
1 12 . 10 1 1 A 3 3 GLU HA H 3 4.322 4.487 -0.165 1
1 17 . 10 1 1 A 3 3 GLU N N 3 125.356 125.638 -0.282 1
1 18 . 10 1 1 A 4 4 CYS H H 4 8.116 7.689 0.427 1
1 19 . 10 1 1 A 4 4 CYS HA H 4 4.975 5.314 -0.339 1
1 22 . 10 1 1 A 4 4 CYS N N 4 123.773 117.989 5.784 1
1 23 . 10 1 1 A 5 5 ASP H H 5 8.776 9.935 -1.159 1
1 24 . 10 1 1 A 5 5 ASP HA H 5 4.817 4.733 0.084 1
1 27 . 10 1 1 A 5 5 ASP N N 5 123.756 124.999 -1.243 1
1 28 . 10 1 1 A 6 6 CYS H H 6 6.975 7.579 -0.604 1
1 29 . 10 1 1 A 6 6 CYS HA H 6 4.931 4.806 0.125 1
1 32 . 10 1 1 A 6 6 CYS N N 6 116.724 113.987 2.737 1
1 33 . 10 1 1 A 7 7 SER H H 7 9.659 8.888 0.771 1
1 34 . 10 1 1 A 7 7 SER HA H 7 4.226 4.314 -0.088 1
1 37 . 10 1 1 A 7 7 SER N N 7 123.545 118.369 5.176 1
1 38 . 10 1 1 A 8 8 SER H H 8 7.862 7.912 -0.050 1
1 39 . 10 1 1 A 8 8 SER HA H 8 5.137 4.661 0.476 1
1 42 . 10 1 1 A 8 8 SER N N 8 119.712 115.435 4.277 1
1 43 . 10 1 1 A 9 9 PRO HA H 9 4.559 4.560 -0.001 1
1 50 . 10 1 1 A 10 10 GLU H H 10 8.244 8.540 -0.296 1
1 51 . 10 1 1 A 10 10 GLU HA H 10 4.294 4.372 -0.078 1
1 56 . 10 1 1 A 10 10 GLU N N 10 120.855 115.491 5.364 1
1 57 . 10 1 1 A 11 11 ASN H H 11 7.260 7.539 -0.279 1
1 58 . 10 1 1 A 11 11 ASN HA H 11 4.794 5.067 -0.273 1
1 63 . 10 1 1 A 11 11 ASN N N 11 124.776 119.574 5.202 1
1 65 . 10 1 1 A 12 12 PRO HA H 12 4.704 4.437 0.267 1
1 72 . 10 1 1 A 13 13 CYS H H 13 8.931 9.734 -0.803 1
1 73 . 10 1 1 A 13 13 CYS HA H 13 4.648 4.250 0.398 1
1 76 . 10 1 1 A 13 13 CYS N N 13 121.945 115.238 6.707 1
1 77 . 10 1 1 A 14 14 CYS H H 14 7.543 7.752 -0.209 1
1 78 . 10 1 1 A 14 14 CYS HA H 14 5.056 5.157 -0.101 1
1 81 . 10 1 1 A 14 14 CYS N N 14 116.460 115.925 0.535 1
1 82 . 10 1 1 A 15 15 ASP H H 15 8.212 10.018 -1.806 1
1 83 . 10 1 1 A 15 15 ASP HA H 15 4.570 4.868 -0.298 1
1 86 . 10 1 1 A 15 15 ASP N N 15 125.197 122.473 2.724 1
1 87 . 10 1 1 A 16 16 ALA H H 16 8.996 9.077 -0.081 1
1 88 . 10 1 1 A 16 16 ALA HA H 16 4.148 3.971 0.177 1
1 92 . 10 1 1 A 16 16 ALA N N 16 135.341 129.398 5.943 1
1 93 . 10 1 1 A 17 17 ALA H H 17 8.669 8.119 0.550 1
1 94 . 10 1 1 A 17 17 ALA HA H 17 4.361 4.031 0.330 1
1 98 . 10 1 1 A 17 17 ALA N N 17 121.910 118.807 3.103 1
1 99 . 10 1 1 A 18 18 THR H H 18 7.743 7.859 -0.116 1
1 100 . 10 1 1 A 18 18 THR HA H 18 4.445 4.453 -0.008 1
1 105 . 10 1 1 A 18 18 THR N N 18 109.481 109.221 0.260 1
1 106 . 10 1 1 A 19 19 CYS H H 19 8.601 8.156 0.445 1
1 107 . 10 1 1 A 19 19 CYS HA H 19 4.642 4.131 0.511 1
1 110 . 10 1 1 A 19 19 CYS N N 19 123.176 120.308 2.868 1
1 111 . 10 1 1 A 20 20 LYS H H 20 7.964 7.240 0.724 1
1 112 . 10 1 1 A 20 20 LYS HA H 20 4.945 4.802 0.143 1
1 117 . 10 1 1 A 20 20 LYS N N 20 122.525 119.909 2.616 1
1 118 . 10 1 1 A 21 21 LEU H H 21 9.211 8.591 0.620 1
1 119 . 10 1 1 A 21 21 LEU HA H 21 4.285 4.230 0.055 1
1 129 . 10 1 1 A 21 21 LEU N N 21 124.582 123.230 1.352 1
1 130 . 10 1 1 A 22 22 ARG H H 22 8.490 8.390 0.100 1
1 131 . 10 1 1 A 22 22 ARG HA H 22 4.448 4.311 0.137 1
1 137 . 10 1 1 A 22 22 ARG N N 22 126.604 126.087 0.517 1
1 139 . 10 1 1 A 23 23 PRO HA H 23 4.389 4.484 -0.095 1
1 144 . 10 1 1 A 24 24 GLY H H 24 8.830 8.367 0.463 1
1 145 . 10 1 1 A 24 24 GLY HA2 H 24 4.295 3.874 0.421 1
1 146 . 10 1 1 A 24 24 GLY HA3 H 24 3.664 3.876 -0.212 1
1 147 . 10 1 1 A 24 24 GLY N N 24 117.708 106.231 11.477 1
1 148 . 10 1 1 A 25 25 ALA H H 25 7.942 7.758 0.184 1
1 149 . 10 1 1 A 25 25 ALA HA H 25 4.540 4.228 0.312 1
1 153 . 10 1 1 A 25 25 ALA N N 25 127.553 122.755 4.798 1
1 154 . 10 1 1 A 26 26 GLN H H 26 8.827 8.504 0.323 1
1 155 . 10 1 1 A 26 26 GLN HA H 26 4.113 4.214 -0.101 1
1 162 . 10 1 1 A 26 26 GLN N N 26 122.086 117.739 4.347 1
1 164 . 10 1 1 A 27 27 CYS H H 27 7.805 8.180 -0.375 1
1 165 . 10 1 1 A 27 27 CYS HA H 27 4.555 4.661 -0.106 1
1 168 . 10 1 1 A 27 27 CYS N N 27 117.409 113.009 4.400 1
1 169 . 10 1 1 A 28 28 GLY H H 28 9.163 8.708 0.455 1
1 170 . 10 1 1 A 28 28 GLY HA2 H 28 4.446 3.878 0.568 1
1 171 . 10 1 1 A 28 28 GLY HA3 H 28 3.574 3.894 -0.320 1
1 172 . 10 1 1 A 28 28 GLY N N 28 109.041 109.597 -0.556 1
1 173 . 10 1 1 A 29 29 GLU H H 29 7.844 7.856 -0.012 1
1 174 . 10 1 1 A 29 29 GLU HA H 29 4.782 4.694 0.088 1
1 179 . 10 1 1 A 29 29 GLU N N 29 122.174 115.162 7.012 1
1 180 . 10 1 1 A 30 30 GLY H H 30 8.391 8.479 -0.088 1
1 181 . 10 1 1 A 30 30 GLY HA2 H 30 4.915 4.260 0.655 1
1 182 . 10 1 1 A 30 30 GLY HA3 H 30 3.925 4.283 -0.358 1
1 183 . 10 1 1 A 30 30 GLY N N 30 112.663 107.596 5.067 1
1 184 . 10 1 1 A 31 31 LEU H H 31 8.960 8.548 0.412 1
1 185 . 10 1 1 A 31 31 LEU HA H 31 4.354 4.069 0.285 1
1 195 . 10 1 1 A 31 31 LEU N N 31 125.039 119.850 5.189 1
1 196 . 10 1 1 A 32 32 CYS H H 32 8.467 8.787 -0.320 1
1 197 . 10 1 1 A 32 32 CYS HA H 32 5.108 4.821 0.287 1
1 200 . 10 1 1 A 32 32 CYS N N 32 119.167 114.240 4.927 1
1 201 . 10 1 1 A 33 33 CYS H H 33 7.365 8.227 -0.862 1
1 202 . 10 1 1 A 33 33 CYS HA H 33 5.291 5.513 -0.222 1
1 205 . 10 1 1 A 33 33 CYS N N 33 125.303 121.335 3.968 1
1 206 . 10 1 1 A 34 34 GLU H H 34 9.742 8.633 1.109 1
1 207 . 10 1 1 A 34 34 GLU HA H 34 4.682 4.723 -0.041 1
1 212 . 10 1 1 A 34 34 GLU N N 34 132.652 125.432 7.220 1
1 213 . 10 1 1 A 35 35 GLN H H 35 9.453 9.052 0.401 1
1 214 . 10 1 1 A 35 35 GLN HA H 35 3.999 3.953 0.046 1
1 219 . 10 1 1 A 35 35 GLN N N 35 129.593 125.290 4.303 1
1 221 . 10 1 1 A 36 36 CYS H H 36 8.492 8.420 0.072 1
1 222 . 10 1 1 A 36 36 CYS HA H 36 4.801 4.376 0.425 1
1 225 . 10 1 1 A 36 36 CYS N N 36 109.569 111.868 -2.299 1
1 226 . 10 1 1 A 37 37 LYS H H 37 8.024 7.870 0.154 1
1 227 . 10 1 1 A 37 37 LYS HA H 37 4.703 4.499 0.204 1
1 236 . 10 1 1 A 37 37 LYS N N 37 125.110 120.020 5.090 1
1 237 . 10 1 1 A 38 38 PHE H H 38 8.276 8.390 -0.114 1
1 238 . 10 1 1 A 38 38 PHE HA H 38 5.141 4.633 0.508 1
1 245 . 10 1 1 A 38 38 PHE N N 38 123.897 120.048 3.849 1
1 246 . 10 1 1 A 39 39 SER H H 39 9.044 8.764 0.280 1
1 247 . 10 1 1 A 39 39 SER HA H 39 4.274 4.551 -0.277 1
1 250 . 10 1 1 A 39 39 SER N N 39 125.655 118.954 6.701 1
1 251 . 10 1 1 A 40 40 ARG H H 40 8.573 8.716 -0.143 1
1 252 . 10 1 1 A 40 40 ARG HA H 40 4.101 4.828 -0.727 1
1 259 . 10 1 1 A 40 40 ARG N N 40 125.848 120.267 5.581 1
1 260 . 10 1 1 A 41 41 ALA H H 41 8.501 8.580 -0.079 1
1 261 . 10 1 1 A 41 41 ALA HA H 41 3.724 4.515 -0.791 1
1 265 . 10 1 1 A 41 41 ALA N N 41 127.729 126.273 1.456 1
1 266 . 10 1 1 A 42 42 GLY H H 42 8.619 8.545 0.074 1
1 267 . 10 1 1 A 42 42 GLY HA2 H 42 4.486 3.866 0.620 1
1 268 . 10 1 1 A 42 42 GLY HA3 H 42 3.587 3.866 -0.279 1
1 269 . 10 1 1 A 42 42 GLY N N 42 114.579 109.468 5.111 1
1 270 . 10 1 1 A 43 43 LYS H H 43 7.535 7.249 0.286 1
1 271 . 10 1 1 A 43 43 LYS HA H 43 4.149 4.684 -0.535 1
1 280 . 10 1 1 A 43 43 LYS N N 43 126.780 120.577 6.203 1
1 281 . 10 1 1 A 44 44 ILE H H 44 8.810 8.549 0.261 1
1 282 . 10 1 1 A 44 44 ILE HA H 44 4.167 4.827 -0.660 1
1 290 . 10 1 1 A 44 44 ILE N N 44 133.179 126.430 6.749 1
1 291 . 10 1 1 A 45 45 CYS H H 45 9.355 8.903 0.452 1
1 292 . 10 1 1 A 45 45 CYS HA H 45 5.160 4.629 0.531 1
1 295 . 10 1 1 A 45 45 CYS N N 45 127.500 125.662 1.838 1
1 296 . 10 1 1 A 46 46 ARG H H 46 7.675 7.701 -0.026 1
1 297 . 10 1 1 A 46 46 ARG HA H 46 4.469 4.869 -0.400 1
1 304 . 10 1 1 A 46 46 ARG N N 46 126.375 119.272 7.103 1
1 305 . 10 1 1 A 47 47 ILE H H 47 8.400 8.955 -0.555 1
1 306 . 10 1 1 A 47 47 ILE HA H 47 4.663 4.829 -0.166 1
1 316 . 10 1 1 A 47 47 ILE N N 47 129.510 125.372 4.138 1
1 317 . 10 1 1 A 48 48 PRO HA H 48 4.491 4.840 -0.349 1
1 324 . 10 1 1 A 49 49 ARG H H 49 8.331 7.976 0.355 1
1 325 . 10 1 1 A 49 49 ARG HA H 49 4.398 4.106 0.292 1
1 332 . 10 1 1 A 49 49 ARG N N 49 122.965 123.948 -0.983 1
1 333 . 10 1 1 A 50 50 GLY H H 50 8.426 8.682 -0.256 1
1 334 . 10 1 1 A 50 50 GLY HA2 H 50 3.958 4.037 -0.079 1
1 335 . 10 1 1 A 50 50 GLY HA3 H 50 3.915 4.040 -0.125 1
1 336 . 10 1 1 A 50 50 GLY N N 50 114.157 112.501 1.656 1
1 337 . 10 1 1 A 51 51 GLU H H 51 8.753 8.465 0.288 1
1 338 . 10 1 1 A 51 51 GLU HA H 51 4.345 3.882 0.463 1
1 343 . 10 1 1 A 51 51 GLU N N 51 125.370 111.129 14.241 1
1 344 . 10 1 1 A 52 52 MET H H 52 7.745 7.710 0.035 1
1 345 . 10 1 1 A 52 52 MET HA H 52 4.839 5.001 -0.162 1
1 350 . 10 1 1 A 52 52 MET N N 52 125.080 118.712 6.368 1
1 351 . 10 1 1 A 53 53 PRO HA H 53 4.485 4.570 -0.085 1
1 358 . 10 1 1 A 54 54 ASP H H 54 8.114 8.448 -0.334 1
1 359 . 10 1 1 A 54 54 ASP HA H 54 4.577 4.984 -0.407 1
1 362 . 10 1 1 A 54 54 ASP N N 54 122.385 120.709 1.676 1
1 363 . 10 1 1 A 55 55 ASP H H 55 8.388 8.502 -0.114 1
1 364 . 10 1 1 A 55 55 ASP HA H 55 5.052 4.781 0.271 1
1 367 . 10 1 1 A 55 55 ASP N N 55 124.758 125.774 -1.016 1
1 368 . 10 1 1 A 56 56 ARG H H 56 8.358 8.678 -0.320 1
1 369 . 10 1 1 A 56 56 ARG HA H 56 5.332 5.410 -0.078 1
1 376 . 10 1 1 A 56 56 ARG N N 56 123.703 124.842 -1.139 1
1 378 . 10 1 1 A 57 57 CYS H H 57 9.377 9.849 -0.472 1
1 379 . 10 1 1 A 57 57 CYS HA H 57 4.862 4.604 0.258 1
1 382 . 10 1 1 A 57 57 CYS N N 57 123.897 125.361 -1.464 1
1 383 . 10 1 1 A 58 58 THR H H 58 10.180 8.591 1.589 1
1 384 . 10 1 1 A 58 58 THR HA H 58 4.442 4.640 -0.198 1
1 389 . 10 1 1 A 58 58 THR N N 58 117.445 115.138 2.307 1
1 390 . 10 1 1 A 59 59 GLY H H 59 8.546 7.801 0.745 1
1 391 . 10 1 1 A 59 59 GLY HA2 H 59 4.460 3.976 0.484 1
1 392 . 10 1 1 A 59 59 GLY HA3 H 59 4.460 3.989 0.471 1
1 393 . 10 1 1 A 59 59 GLY N N 59 115.880 110.487 5.393 1
1 394 . 10 1 1 A 60 60 GLN H H 60 7.986 8.292 -0.306 1
1 395 . 10 1 1 A 60 60 GLN HA H 60 4.298 4.230 0.068 1
1 398 . 10 1 1 A 60 60 GLN N N 60 119.027 118.446 0.581 1
1 400 . 10 1 1 A 61 61 SER H H 61 6.630 7.557 -0.927 1
1 401 . 10 1 1 A 61 61 SER HA H 61 3.880 4.367 -0.487 1
1 404 . 10 1 1 A 61 61 SER N N 61 114.913 115.973 -1.060 1
1 405 . 10 1 1 A 62 62 ALA H H 62 9.027 8.581 0.446 1
1 406 . 10 1 1 A 62 62 ALA HA H 62 4.435 4.436 -0.001 1
1 410 . 10 1 1 A 62 62 ALA N N 62 129.628 127.741 1.887 1
1 411 . 10 1 1 A 63 63 ASP H H 63 8.080 7.944 0.136 1
1 412 . 10 1 1 A 63 63 ASP HA H 63 4.895 4.817 0.078 1
1 415 . 10 1 1 A 63 63 ASP N N 63 121.506 116.102 5.404 1
1 416 . 10 1 1 A 64 64 CYS H H 64 8.924 8.551 0.373 1
1 417 . 10 1 1 A 64 64 CYS HA H 64 5.403 5.203 0.200 1
1 420 . 10 1 1 A 64 64 CYS N N 64 125.936 118.592 7.344 1
1 421 . 10 1 1 A 65 65 PRO HA H 65 4.375 4.571 -0.196 1
1 428 . 10 1 1 A 66 66 ARG H H 66 8.203 8.368 -0.165 1
1 429 . 10 1 1 A 66 66 ARG HA H 66 4.362 5.081 -0.719 1
1 436 . 10 1 1 A 66 66 ARG N N 66 123.580 118.276 5.304 1
1 437 . 10 1 1 A 67 67 TYR H H 67 8.650 9.138 -0.488 1
1 438 . 10 1 1 A 67 67 TYR HA H 67 4.459 4.759 -0.300 1
1 445 . 10 1 1 A 67 67 TYR N N 67 128.872 126.367 2.505 1
1 5 . 11 1 1 A 2 2 LYS H H 2 8.331 9.042 -0.711 1
1 10 . 11 1 1 A 2 2 LYS N N 2 125.285 122.349 2.936 1
1 11 . 11 1 1 A 3 3 GLU H H 3 8.659 8.204 0.455 1
1 12 . 11 1 1 A 3 3 GLU HA H 3 4.322 4.484 -0.162 1
1 17 . 11 1 1 A 3 3 GLU N N 3 125.356 114.537 10.819 1
1 18 . 11 1 1 A 4 4 CYS H H 4 8.116 7.689 0.427 1
1 19 . 11 1 1 A 4 4 CYS HA H 4 4.975 5.631 -0.656 1
1 22 . 11 1 1 A 4 4 CYS N N 4 123.773 118.980 4.793 1
1 23 . 11 1 1 A 5 5 ASP H H 5 8.776 8.453 0.323 1
1 24 . 11 1 1 A 5 5 ASP HA H 5 4.817 4.662 0.155 1
1 27 . 11 1 1 A 5 5 ASP N N 5 123.756 124.873 -1.117 1
1 28 . 11 1 1 A 6 6 CYS H H 6 6.975 7.408 -0.433 1
1 29 . 11 1 1 A 6 6 CYS HA H 6 4.931 5.044 -0.113 1
1 32 . 11 1 1 A 6 6 CYS N N 6 116.724 114.402 2.322 1
1 33 . 11 1 1 A 7 7 SER H H 7 9.659 8.670 0.989 1
1 34 . 11 1 1 A 7 7 SER HA H 7 4.226 4.700 -0.474 1
1 37 . 11 1 1 A 7 7 SER N N 7 123.545 116.398 7.147 1
1 38 . 11 1 1 A 8 8 SER H H 8 7.862 7.695 0.167 1
1 39 . 11 1 1 A 8 8 SER HA H 8 5.137 4.852 0.285 1
1 42 . 11 1 1 A 8 8 SER N N 8 119.712 116.566 3.146 1
1 43 . 11 1 1 A 9 9 PRO HA H 9 4.559 4.458 0.101 1
1 50 . 11 1 1 A 10 10 GLU H H 10 8.244 8.291 -0.047 1
1 51 . 11 1 1 A 10 10 GLU HA H 10 4.294 4.180 0.114 1
1 56 . 11 1 1 A 10 10 GLU N N 10 120.855 117.621 3.234 1
1 57 . 11 1 1 A 11 11 ASN H H 11 7.260 7.560 -0.300 1
1 58 . 11 1 1 A 11 11 ASN HA H 11 4.794 4.657 0.137 1
1 63 . 11 1 1 A 11 11 ASN N N 11 124.776 118.381 6.395 1
1 65 . 11 1 1 A 12 12 PRO HA H 12 4.704 4.480 0.224 1
1 72 . 11 1 1 A 13 13 CYS H H 13 8.931 9.233 -0.302 1
1 73 . 11 1 1 A 13 13 CYS HA H 13 4.648 4.377 0.271 1
1 76 . 11 1 1 A 13 13 CYS N N 13 121.945 115.093 6.852 1
1 77 . 11 1 1 A 14 14 CYS H H 14 7.543 7.674 -0.131 1
1 78 . 11 1 1 A 14 14 CYS HA H 14 5.056 5.224 -0.168 1
1 81 . 11 1 1 A 14 14 CYS N N 14 116.460 116.165 0.295 1
1 82 . 11 1 1 A 15 15 ASP H H 15 8.212 10.051 -1.839 1
1 83 . 11 1 1 A 15 15 ASP HA H 15 4.570 4.832 -0.262 1
1 86 . 11 1 1 A 15 15 ASP N N 15 125.197 122.976 2.221 1
1 87 . 11 1 1 A 16 16 ALA H H 16 8.996 9.087 -0.091 1
1 88 . 11 1 1 A 16 16 ALA HA H 16 4.148 3.991 0.157 1
1 92 . 11 1 1 A 16 16 ALA N N 16 135.341 129.132 6.209 1
1 93 . 11 1 1 A 17 17 ALA H H 17 8.669 8.033 0.636 1
1 94 . 11 1 1 A 17 17 ALA HA H 17 4.361 4.068 0.293 1
1 98 . 11 1 1 A 17 17 ALA N N 17 121.910 120.283 1.627 1
1 99 . 11 1 1 A 18 18 THR H H 18 7.743 7.805 -0.062 1
1 100 . 11 1 1 A 18 18 THR HA H 18 4.445 4.206 0.239 1
1 105 . 11 1 1 A 18 18 THR N N 18 109.481 107.647 1.834 1
1 106 . 11 1 1 A 19 19 CYS H H 19 8.601 8.296 0.305 1
1 107 . 11 1 1 A 19 19 CYS HA H 19 4.642 4.328 0.314 1
1 110 . 11 1 1 A 19 19 CYS N N 19 123.176 119.585 3.591 1
1 111 . 11 1 1 A 20 20 LYS H H 20 7.964 7.232 0.732 1
1 112 . 11 1 1 A 20 20 LYS HA H 20 4.945 4.910 0.035 1
1 117 . 11 1 1 A 20 20 LYS N N 20 122.525 119.457 3.068 1
1 118 . 11 1 1 A 21 21 LEU H H 21 9.211 8.682 0.529 1
1 119 . 11 1 1 A 21 21 LEU HA H 21 4.285 4.566 -0.281 1
1 129 . 11 1 1 A 21 21 LEU N N 21 124.582 122.006 2.576 1
1 130 . 11 1 1 A 22 22 ARG H H 22 8.490 8.339 0.151 1
1 131 . 11 1 1 A 22 22 ARG HA H 22 4.448 4.250 0.198 1
1 137 . 11 1 1 A 22 22 ARG N N 22 126.604 126.272 0.332 1
1 139 . 11 1 1 A 23 23 PRO HA H 23 4.389 4.522 -0.133 1
1 144 . 11 1 1 A 24 24 GLY H H 24 8.830 8.383 0.447 1
1 145 . 11 1 1 A 24 24 GLY HA2 H 24 4.295 3.916 0.379 1
1 146 . 11 1 1 A 24 24 GLY HA3 H 24 3.664 3.916 -0.252 1
1 147 . 11 1 1 A 24 24 GLY N N 24 117.708 106.163 11.545 1
1 148 . 11 1 1 A 25 25 ALA H H 25 7.942 7.864 0.078 1
1 149 . 11 1 1 A 25 25 ALA HA H 25 4.540 4.254 0.286 1
1 153 . 11 1 1 A 25 25 ALA N N 25 127.553 122.843 4.710 1
1 154 . 11 1 1 A 26 26 GLN H H 26 8.827 8.663 0.164 1
1 155 . 11 1 1 A 26 26 GLN HA H 26 4.113 4.148 -0.035 1
1 162 . 11 1 1 A 26 26 GLN N N 26 122.086 119.160 2.926 1
1 164 . 11 1 1 A 27 27 CYS H H 27 7.805 7.822 -0.017 1
1 165 . 11 1 1 A 27 27 CYS HA H 27 4.555 4.956 -0.401 1
1 168 . 11 1 1 A 27 27 CYS N N 27 117.409 113.781 3.628 1
1 169 . 11 1 1 A 28 28 GLY H H 28 9.163 8.723 0.440 1
1 170 . 11 1 1 A 28 28 GLY HA2 H 28 4.446 4.067 0.379 1
1 171 . 11 1 1 A 28 28 GLY HA3 H 28 3.574 4.072 -0.498 1
1 172 . 11 1 1 A 28 28 GLY N N 28 109.041 110.252 -1.211 1
1 173 . 11 1 1 A 29 29 GLU H H 29 7.844 7.871 -0.027 1
1 174 . 11 1 1 A 29 29 GLU HA H 29 4.782 4.726 0.056 1
1 179 . 11 1 1 A 29 29 GLU N N 29 122.174 116.484 5.690 1
1 180 . 11 1 1 A 30 30 GLY H H 30 8.391 8.516 -0.125 1
1 181 . 11 1 1 A 30 30 GLY HA2 H 30 4.915 4.179 0.736 1
1 182 . 11 1 1 A 30 30 GLY HA3 H 30 3.925 4.202 -0.277 1
1 183 . 11 1 1 A 30 30 GLY N N 30 112.663 107.421 5.242 1
1 184 . 11 1 1 A 31 31 LEU H H 31 8.960 8.627 0.333 1
1 185 . 11 1 1 A 31 31 LEU HA H 31 4.354 4.046 0.308 1
1 195 . 11 1 1 A 31 31 LEU N N 31 125.039 120.080 4.959 1
1 196 . 11 1 1 A 32 32 CYS H H 32 8.467 8.160 0.307 1
1 197 . 11 1 1 A 32 32 CYS HA H 32 5.108 4.670 0.438 1
1 200 . 11 1 1 A 32 32 CYS N N 32 119.167 115.913 3.254 1
1 201 . 11 1 1 A 33 33 CYS H H 33 7.365 7.452 -0.087 1
1 202 . 11 1 1 A 33 33 CYS HA H 33 5.291 5.303 -0.012 1
1 205 . 11 1 1 A 33 33 CYS N N 33 125.303 121.042 4.261 1
1 206 . 11 1 1 A 34 34 GLU H H 34 9.742 8.631 1.111 1
1 207 . 11 1 1 A 34 34 GLU HA H 34 4.682 4.556 0.126 1
1 212 . 11 1 1 A 34 34 GLU N N 34 132.652 126.753 5.899 1
1 213 . 11 1 1 A 35 35 GLN H H 35 9.453 8.928 0.525 1
1 214 . 11 1 1 A 35 35 GLN HA H 35 3.999 4.118 -0.119 1
1 219 . 11 1 1 A 35 35 GLN N N 35 129.593 124.510 5.083 1
1 221 . 11 1 1 A 36 36 CYS H H 36 8.492 8.462 0.030 1
1 222 . 11 1 1 A 36 36 CYS HA H 36 4.801 4.472 0.329 1
1 225 . 11 1 1 A 36 36 CYS N N 36 109.569 113.403 -3.834 1
1 226 . 11 1 1 A 37 37 LYS H H 37 8.024 7.556 0.468 1
1 227 . 11 1 1 A 37 37 LYS HA H 37 4.703 4.905 -0.202 1
1 236 . 11 1 1 A 37 37 LYS N N 37 125.110 118.673 6.437 1
1 237 . 11 1 1 A 38 38 PHE H H 38 8.276 8.776 -0.500 1
1 238 . 11 1 1 A 38 38 PHE HA H 38 5.141 4.481 0.660 1
1 245 . 11 1 1 A 38 38 PHE N N 38 123.897 120.333 3.564 1
1 246 . 11 1 1 A 39 39 SER H H 39 9.044 8.551 0.493 1
1 247 . 11 1 1 A 39 39 SER HA H 39 4.274 4.514 -0.240 1
1 250 . 11 1 1 A 39 39 SER N N 39 125.655 119.368 6.287 1
1 251 . 11 1 1 A 40 40 ARG H H 40 8.573 8.625 -0.052 1
1 252 . 11 1 1 A 40 40 ARG HA H 40 4.101 4.991 -0.890 1
1 259 . 11 1 1 A 40 40 ARG N N 40 125.848 122.486 3.362 1
1 260 . 11 1 1 A 41 41 ALA H H 41 8.501 8.564 -0.063 1
1 261 . 11 1 1 A 41 41 ALA HA H 41 3.724 4.491 -0.767 1
1 265 . 11 1 1 A 41 41 ALA N N 41 127.729 126.582 1.147 1
1 266 . 11 1 1 A 42 42 GLY H H 42 8.619 8.745 -0.126 1
1 267 . 11 1 1 A 42 42 GLY HA2 H 42 4.486 3.857 0.629 1
1 268 . 11 1 1 A 42 42 GLY HA3 H 42 3.587 3.859 -0.272 1
1 269 . 11 1 1 A 42 42 GLY N N 42 114.579 109.397 5.182 1
1 270 . 11 1 1 A 43 43 LYS H H 43 7.535 7.328 0.207 1
1 271 . 11 1 1 A 43 43 LYS HA H 43 4.149 4.627 -0.478 1
1 280 . 11 1 1 A 43 43 LYS N N 43 126.780 121.196 5.584 1
1 281 . 11 1 1 A 44 44 ILE H H 44 8.810 8.944 -0.134 1
1 282 . 11 1 1 A 44 44 ILE HA H 44 4.167 4.545 -0.378 1
1 290 . 11 1 1 A 44 44 ILE N N 44 133.179 126.735 6.444 1
1 291 . 11 1 1 A 45 45 CYS H H 45 9.355 8.602 0.753 1
1 292 . 11 1 1 A 45 45 CYS HA H 45 5.160 4.759 0.401 1
1 295 . 11 1 1 A 45 45 CYS N N 45 127.500 123.495 4.005 1
1 296 . 11 1 1 A 46 46 ARG H H 46 7.675 7.597 0.078 1
1 297 . 11 1 1 A 46 46 ARG HA H 46 4.469 4.749 -0.280 1
1 304 . 11 1 1 A 46 46 ARG N N 46 126.375 119.890 6.485 1
1 305 . 11 1 1 A 47 47 ILE H H 47 8.400 8.923 -0.523 1
1 306 . 11 1 1 A 47 47 ILE HA H 47 4.663 4.785 -0.122 1
1 316 . 11 1 1 A 47 47 ILE N N 47 129.510 126.194 3.316 1
1 317 . 11 1 1 A 48 48 PRO HA H 48 4.491 4.806 -0.315 1
1 324 . 11 1 1 A 49 49 ARG H H 49 8.331 8.501 -0.170 1
1 325 . 11 1 1 A 49 49 ARG HA H 49 4.398 4.875 -0.477 1
1 332 . 11 1 1 A 49 49 ARG N N 49 122.965 122.320 0.645 1
1 333 . 11 1 1 A 50 50 GLY H H 50 8.426 8.332 0.094 1
1 334 . 11 1 1 A 50 50 GLY HA2 H 50 3.958 4.084 -0.126 1
1 335 . 11 1 1 A 50 50 GLY HA3 H 50 3.915 4.085 -0.170 1
1 336 . 11 1 1 A 50 50 GLY N N 50 114.157 109.065 5.092 1
1 337 . 11 1 1 A 51 51 GLU H H 51 8.753 8.622 0.131 1
1 338 . 11 1 1 A 51 51 GLU HA H 51 4.345 4.459 -0.114 1
1 343 . 11 1 1 A 51 51 GLU N N 51 125.370 124.546 0.824 1
1 344 . 11 1 1 A 52 52 MET H H 52 7.745 7.351 0.394 1
1 345 . 11 1 1 A 52 52 MET HA H 52 4.839 4.689 0.150 1
1 350 . 11 1 1 A 52 52 MET N N 52 125.080 118.324 6.756 1
1 351 . 11 1 1 A 53 53 PRO HA H 53 4.485 4.510 -0.025 1
1 358 . 11 1 1 A 54 54 ASP H H 54 8.114 8.363 -0.249 1
1 359 . 11 1 1 A 54 54 ASP HA H 54 4.577 5.073 -0.496 1
1 362 . 11 1 1 A 54 54 ASP N N 54 122.385 119.444 2.941 1
1 363 . 11 1 1 A 55 55 ASP H H 55 8.388 8.270 0.118 1
1 364 . 11 1 1 A 55 55 ASP HA H 55 5.052 5.401 -0.349 1
1 367 . 11 1 1 A 55 55 ASP N N 55 124.758 120.821 3.937 1
1 368 . 11 1 1 A 56 56 ARG H H 56 8.358 8.931 -0.573 1
1 369 . 11 1 1 A 56 56 ARG HA H 56 5.332 5.410 -0.078 1
1 376 . 11 1 1 A 56 56 ARG N N 56 123.703 124.697 -0.994 1
1 378 . 11 1 1 A 57 57 CYS H H 57 9.377 9.943 -0.566 1
1 379 . 11 1 1 A 57 57 CYS HA H 57 4.862 4.595 0.267 1
1 382 . 11 1 1 A 57 57 CYS N N 57 123.897 122.325 1.572 1
1 383 . 11 1 1 A 58 58 THR H H 58 10.180 8.552 1.628 1
1 384 . 11 1 1 A 58 58 THR HA H 58 4.442 4.686 -0.244 1
1 389 . 11 1 1 A 58 58 THR N N 58 117.445 114.661 2.784 1
1 390 . 11 1 1 A 59 59 GLY H H 59 8.546 7.830 0.716 1
1 391 . 11 1 1 A 59 59 GLY HA2 H 59 4.460 4.010 0.450 1
1 392 . 11 1 1 A 59 59 GLY HA3 H 59 4.460 4.027 0.433 1
1 393 . 11 1 1 A 59 59 GLY N N 59 115.880 110.659 5.221 1
1 394 . 11 1 1 A 60 60 GLN H H 60 7.986 8.617 -0.631 1
1 395 . 11 1 1 A 60 60 GLN HA H 60 4.298 4.571 -0.273 1
1 398 . 11 1 1 A 60 60 GLN N N 60 119.027 119.060 -0.033 1
1 400 . 11 1 1 A 61 61 SER H H 61 6.630 7.840 -1.210 1
1 401 . 11 1 1 A 61 61 SER HA H 61 3.880 4.605 -0.725 1
1 404 . 11 1 1 A 61 61 SER N N 61 114.913 115.302 -0.389 1
1 405 . 11 1 1 A 62 62 ALA H H 62 9.027 8.054 0.973 1
1 406 . 11 1 1 A 62 62 ALA HA H 62 4.435 3.875 0.560 1
1 410 . 11 1 1 A 62 62 ALA N N 62 129.628 126.752 2.876 1
1 411 . 11 1 1 A 63 63 ASP H H 63 8.080 7.813 0.267 1
1 412 . 11 1 1 A 63 63 ASP HA H 63 4.895 4.752 0.143 1
1 415 . 11 1 1 A 63 63 ASP N N 63 121.506 116.855 4.651 1
1 416 . 11 1 1 A 64 64 CYS H H 64 8.924 8.536 0.388 1
1 417 . 11 1 1 A 64 64 CYS HA H 64 5.403 5.172 0.231 1
1 420 . 11 1 1 A 64 64 CYS N N 64 125.936 119.417 6.519 1
1 421 . 11 1 1 A 65 65 PRO HA H 65 4.375 4.583 -0.208 1
1 428 . 11 1 1 A 66 66 ARG H H 66 8.203 8.711 -0.508 1
1 429 . 11 1 1 A 66 66 ARG HA H 66 4.362 4.734 -0.372 1
1 436 . 11 1 1 A 66 66 ARG N N 66 123.580 120.473 3.107 1
1 437 . 11 1 1 A 67 67 TYR H H 67 8.650 8.912 -0.262 1
1 438 . 11 1 1 A 67 67 TYR HA H 67 4.459 4.509 -0.050 1
1 445 . 11 1 1 A 67 67 TYR N N 67 128.872 121.698 7.174 1
1 5 . 12 1 1 A 2 2 LYS H H 2 8.331 8.294 0.037 1
1 10 . 12 1 1 A 2 2 LYS N N 2 125.285 120.522 4.763 1
1 11 . 12 1 1 A 3 3 GLU H H 3 8.659 7.813 0.846 1
1 12 . 12 1 1 A 3 3 GLU HA H 3 4.322 4.296 0.026 1
1 17 . 12 1 1 A 3 3 GLU N N 3 125.356 116.917 8.439 1
1 18 . 12 1 1 A 4 4 CYS H H 4 8.116 7.737 0.379 1
1 19 . 12 1 1 A 4 4 CYS HA H 4 4.975 5.417 -0.442 1
1 22 . 12 1 1 A 4 4 CYS N N 4 123.773 117.854 5.919 1
1 23 . 12 1 1 A 5 5 ASP H H 5 8.776 9.885 -1.109 1
1 24 . 12 1 1 A 5 5 ASP HA H 5 4.817 4.840 -0.023 1
1 27 . 12 1 1 A 5 5 ASP N N 5 123.756 123.151 0.605 1
1 28 . 12 1 1 A 6 6 CYS H H 6 6.975 7.267 -0.292 1
1 29 . 12 1 1 A 6 6 CYS HA H 6 4.931 4.917 0.014 1
1 32 . 12 1 1 A 6 6 CYS N N 6 116.724 114.000 2.724 1
1 33 . 12 1 1 A 7 7 SER H H 7 9.659 8.658 1.001 1
1 34 . 12 1 1 A 7 7 SER HA H 7 4.226 4.588 -0.362 1
1 37 . 12 1 1 A 7 7 SER N N 7 123.545 118.638 4.907 1
1 38 . 12 1 1 A 8 8 SER H H 8 7.862 7.789 0.073 1
1 39 . 12 1 1 A 8 8 SER HA H 8 5.137 4.818 0.319 1
1 42 . 12 1 1 A 8 8 SER N N 8 119.712 117.994 1.718 1
1 43 . 12 1 1 A 9 9 PRO HA H 9 4.559 4.558 0.001 1
1 50 . 12 1 1 A 10 10 GLU H H 10 8.244 8.625 -0.381 1
1 51 . 12 1 1 A 10 10 GLU HA H 10 4.294 4.404 -0.110 1
1 56 . 12 1 1 A 10 10 GLU N N 10 120.855 116.039 4.816 1
1 57 . 12 1 1 A 11 11 ASN H H 11 7.260 7.552 -0.292 1
1 58 . 12 1 1 A 11 11 ASN HA H 11 4.794 4.779 0.015 1
1 63 . 12 1 1 A 11 11 ASN N N 11 124.776 120.616 4.160 1
1 65 . 12 1 1 A 12 12 PRO HA H 12 4.704 4.517 0.187 1
1 72 . 12 1 1 A 13 13 CYS H H 13 8.931 8.335 0.596 1
1 73 . 12 1 1 A 13 13 CYS HA H 13 4.648 4.520 0.128 1
1 76 . 12 1 1 A 13 13 CYS N N 13 121.945 115.139 6.806 1
1 77 . 12 1 1 A 14 14 CYS H H 14 7.543 7.200 0.343 1
1 78 . 12 1 1 A 14 14 CYS HA H 14 5.056 5.542 -0.486 1
1 81 . 12 1 1 A 14 14 CYS N N 14 116.460 116.515 -0.055 1
1 82 . 12 1 1 A 15 15 ASP H H 15 8.212 8.842 -0.630 1
1 83 . 12 1 1 A 15 15 ASP HA H 15 4.570 4.601 -0.031 1
1 86 . 12 1 1 A 15 15 ASP N N 15 125.197 125.603 -0.406 1
1 87 . 12 1 1 A 16 16 ALA H H 16 8.996 9.016 -0.020 1
1 88 . 12 1 1 A 16 16 ALA HA H 16 4.148 4.001 0.147 1
1 92 . 12 1 1 A 16 16 ALA N N 16 135.341 129.594 5.747 1
1 93 . 12 1 1 A 17 17 ALA H H 17 8.669 7.995 0.674 1
1 94 . 12 1 1 A 17 17 ALA HA H 17 4.361 4.075 0.286 1
1 98 . 12 1 1 A 17 17 ALA N N 17 121.910 118.726 3.184 1
1 99 . 12 1 1 A 18 18 THR H H 18 7.743 7.661 0.082 1
1 100 . 12 1 1 A 18 18 THR HA H 18 4.445 4.387 0.058 1
1 105 . 12 1 1 A 18 18 THR N N 18 109.481 106.002 3.479 1
1 106 . 12 1 1 A 19 19 CYS H H 19 8.601 8.765 -0.164 1
1 107 . 12 1 1 A 19 19 CYS HA H 19 4.642 4.144 0.498 1
1 110 . 12 1 1 A 19 19 CYS N N 19 123.176 119.611 3.565 1
1 111 . 12 1 1 A 20 20 LYS H H 20 7.964 7.527 0.437 1
1 112 . 12 1 1 A 20 20 LYS HA H 20 4.945 4.821 0.124 1
1 117 . 12 1 1 A 20 20 LYS N N 20 122.525 120.099 2.426 1
1 118 . 12 1 1 A 21 21 LEU H H 21 9.211 8.818 0.393 1
1 119 . 12 1 1 A 21 21 LEU HA H 21 4.285 4.642 -0.357 1
1 129 . 12 1 1 A 21 21 LEU N N 21 124.582 121.544 3.038 1
1 130 . 12 1 1 A 22 22 ARG H H 22 8.490 8.453 0.037 1
1 131 . 12 1 1 A 22 22 ARG HA H 22 4.448 4.303 0.145 1
1 137 . 12 1 1 A 22 22 ARG N N 22 126.604 125.457 1.147 1
1 139 . 12 1 1 A 23 23 PRO HA H 23 4.389 4.507 -0.118 1
1 144 . 12 1 1 A 24 24 GLY H H 24 8.830 8.332 0.498 1
1 145 . 12 1 1 A 24 24 GLY HA2 H 24 4.295 3.926 0.369 1
1 146 . 12 1 1 A 24 24 GLY HA3 H 24 3.664 3.927 -0.263 1
1 147 . 12 1 1 A 24 24 GLY N N 24 117.708 106.380 11.328 1
1 148 . 12 1 1 A 25 25 ALA H H 25 7.942 7.704 0.238 1
1 149 . 12 1 1 A 25 25 ALA HA H 25 4.540 4.143 0.397 1
1 153 . 12 1 1 A 25 25 ALA N N 25 127.553 123.214 4.339 1
1 154 . 12 1 1 A 26 26 GLN H H 26 8.827 8.589 0.238 1
1 155 . 12 1 1 A 26 26 GLN HA H 26 4.113 3.876 0.237 1
1 162 . 12 1 1 A 26 26 GLN N N 26 122.086 120.709 1.377 1
1 164 . 12 1 1 A 27 27 CYS H H 27 7.805 7.196 0.609 1
1 165 . 12 1 1 A 27 27 CYS HA H 27 4.555 4.657 -0.102 1
1 168 . 12 1 1 A 27 27 CYS N N 27 117.409 113.198 4.211 1
1 169 . 12 1 1 A 28 28 GLY H H 28 9.163 8.648 0.515 1
1 170 . 12 1 1 A 28 28 GLY HA2 H 28 4.446 3.973 0.473 1
1 171 . 12 1 1 A 28 28 GLY HA3 H 28 3.574 3.988 -0.414 1
1 172 . 12 1 1 A 28 28 GLY N N 28 109.041 109.553 -0.512 1
1 173 . 12 1 1 A 29 29 GLU H H 29 7.844 7.802 0.042 1
1 174 . 12 1 1 A 29 29 GLU HA H 29 4.782 4.703 0.079 1
1 179 . 12 1 1 A 29 29 GLU N N 29 122.174 114.895 7.279 1
1 180 . 12 1 1 A 30 30 GLY H H 30 8.391 8.445 -0.054 1
1 181 . 12 1 1 A 30 30 GLY HA2 H 30 4.915 4.291 0.624 1
1 182 . 12 1 1 A 30 30 GLY HA3 H 30 3.925 4.310 -0.385 1
1 183 . 12 1 1 A 30 30 GLY N N 30 112.663 107.490 5.173 1
1 184 . 12 1 1 A 31 31 LEU H H 31 8.960 8.652 0.308 1
1 185 . 12 1 1 A 31 31 LEU HA H 31 4.354 4.020 0.334 1
1 195 . 12 1 1 A 31 31 LEU N N 31 125.039 119.595 5.444 1
1 196 . 12 1 1 A 32 32 CYS H H 32 8.467 8.482 -0.015 1
1 197 . 12 1 1 A 32 32 CYS HA H 32 5.108 4.809 0.299 1
1 200 . 12 1 1 A 32 32 CYS N N 32 119.167 114.590 4.577 1
1 201 . 12 1 1 A 33 33 CYS H H 33 7.365 8.105 -0.740 1
1 202 . 12 1 1 A 33 33 CYS HA H 33 5.291 5.448 -0.157 1
1 205 . 12 1 1 A 33 33 CYS N N 33 125.303 120.388 4.915 1
1 206 . 12 1 1 A 34 34 GLU H H 34 9.742 8.451 1.291 1
1 207 . 12 1 1 A 34 34 GLU HA H 34 4.682 4.787 -0.105 1
1 212 . 12 1 1 A 34 34 GLU N N 34 132.652 124.678 7.974 1
1 213 . 12 1 1 A 35 35 GLN H H 35 9.453 9.433 0.020 1
1 214 . 12 1 1 A 35 35 GLN HA H 35 3.999 3.906 0.093 1
1 219 . 12 1 1 A 35 35 GLN N N 35 129.593 123.034 6.559 1
1 221 . 12 1 1 A 36 36 CYS H H 36 8.492 8.405 0.087 1
1 222 . 12 1 1 A 36 36 CYS HA H 36 4.801 4.575 0.226 1
1 225 . 12 1 1 A 36 36 CYS N N 36 109.569 109.373 0.196 1
1 226 . 12 1 1 A 37 37 LYS H H 37 8.024 7.278 0.746 1
1 227 . 12 1 1 A 37 37 LYS HA H 37 4.703 4.638 0.065 1
1 236 . 12 1 1 A 37 37 LYS N N 37 125.110 119.202 5.908 1
1 237 . 12 1 1 A 38 38 PHE H H 38 8.276 8.355 -0.079 1
1 238 . 12 1 1 A 38 38 PHE HA H 38 5.141 4.504 0.637 1
1 245 . 12 1 1 A 38 38 PHE N N 38 123.897 120.021 3.876 1
1 246 . 12 1 1 A 39 39 SER H H 39 9.044 8.660 0.384 1
1 247 . 12 1 1 A 39 39 SER HA H 39 4.274 4.555 -0.281 1
1 250 . 12 1 1 A 39 39 SER N N 39 125.655 119.048 6.607 1
1 251 . 12 1 1 A 40 40 ARG H H 40 8.573 8.499 0.074 1
1 252 . 12 1 1 A 40 40 ARG HA H 40 4.101 4.978 -0.877 1
1 259 . 12 1 1 A 40 40 ARG N N 40 125.848 116.359 9.489 1
1 260 . 12 1 1 A 41 41 ALA H H 41 8.501 8.573 -0.072 1
1 261 . 12 1 1 A 41 41 ALA HA H 41 3.724 4.478 -0.754 1
1 265 . 12 1 1 A 41 41 ALA N N 41 127.729 124.614 3.115 1
1 266 . 12 1 1 A 42 42 GLY H H 42 8.619 8.426 0.193 1
1 267 . 12 1 1 A 42 42 GLY HA2 H 42 4.486 3.858 0.628 1
1 268 . 12 1 1 A 42 42 GLY HA3 H 42 3.587 3.862 -0.275 1
1 269 . 12 1 1 A 42 42 GLY N N 42 114.579 109.499 5.080 1
1 270 . 12 1 1 A 43 43 LYS H H 43 7.535 7.240 0.295 1
1 271 . 12 1 1 A 43 43 LYS HA H 43 4.149 4.682 -0.533 1
1 280 . 12 1 1 A 43 43 LYS N N 43 126.780 120.805 5.975 1
1 281 . 12 1 1 A 44 44 ILE H H 44 8.810 8.636 0.174 1
1 282 . 12 1 1 A 44 44 ILE HA H 44 4.167 4.781 -0.614 1
1 290 . 12 1 1 A 44 44 ILE N N 44 133.179 126.401 6.778 1
1 291 . 12 1 1 A 45 45 CYS H H 45 9.355 9.014 0.341 1
1 292 . 12 1 1 A 45 45 CYS HA H 45 5.160 4.763 0.397 1
1 295 . 12 1 1 A 45 45 CYS N N 45 127.500 125.485 2.015 1
1 296 . 12 1 1 A 46 46 ARG H H 46 7.675 7.572 0.103 1
1 297 . 12 1 1 A 46 46 ARG HA H 46 4.469 4.923 -0.454 1
1 304 . 12 1 1 A 46 46 ARG N N 46 126.375 118.832 7.543 1
1 305 . 12 1 1 A 47 47 ILE H H 47 8.400 8.855 -0.455 1
1 306 . 12 1 1 A 47 47 ILE HA H 47 4.663 4.947 -0.284 1
1 316 . 12 1 1 A 47 47 ILE N N 47 129.510 122.593 6.917 1
1 317 . 12 1 1 A 48 48 PRO HA H 48 4.491 4.845 -0.354 1
1 324 . 12 1 1 A 49 49 ARG H H 49 8.331 9.093 -0.762 1
1 325 . 12 1 1 A 49 49 ARG HA H 49 4.398 4.482 -0.084 1
1 332 . 12 1 1 A 49 49 ARG N N 49 122.965 119.234 3.731 1
1 333 . 12 1 1 A 50 50 GLY H H 50 8.426 7.472 0.954 1
1 334 . 12 1 1 A 50 50 GLY HA2 H 50 3.958 4.080 -0.122 1
1 335 . 12 1 1 A 50 50 GLY HA3 H 50 3.915 4.081 -0.166 1
1 336 . 12 1 1 A 50 50 GLY N N 50 114.157 107.864 6.293 1
1 337 . 12 1 1 A 51 51 GLU H H 51 8.753 8.778 -0.025 1
1 338 . 12 1 1 A 51 51 GLU HA H 51 4.345 4.056 0.289 1
1 343 . 12 1 1 A 51 51 GLU N N 51 125.370 120.625 4.745 1
1 344 . 12 1 1 A 52 52 MET H H 52 7.745 7.693 0.052 1
1 345 . 12 1 1 A 52 52 MET HA H 52 4.839 5.034 -0.195 1
1 350 . 12 1 1 A 52 52 MET N N 52 125.080 119.127 5.953 1
1 351 . 12 1 1 A 53 53 PRO HA H 53 4.485 4.536 -0.051 1
1 358 . 12 1 1 A 54 54 ASP H H 54 8.114 8.363 -0.249 1
1 359 . 12 1 1 A 54 54 ASP HA H 54 4.577 4.833 -0.256 1
1 362 . 12 1 1 A 54 54 ASP N N 54 122.385 121.414 0.971 1
1 363 . 12 1 1 A 55 55 ASP H H 55 8.388 8.655 -0.267 1
1 364 . 12 1 1 A 55 55 ASP HA H 55 5.052 4.941 0.111 1
1 367 . 12 1 1 A 55 55 ASP N N 55 124.758 122.178 2.580 1
1 368 . 12 1 1 A 56 56 ARG H H 56 8.358 8.701 -0.343 1
1 369 . 12 1 1 A 56 56 ARG HA H 56 5.332 5.423 -0.091 1
1 376 . 12 1 1 A 56 56 ARG N N 56 123.703 122.010 1.693 1
1 378 . 12 1 1 A 57 57 CYS H H 57 9.377 9.852 -0.475 1
1 379 . 12 1 1 A 57 57 CYS HA H 57 4.862 4.613 0.249 1
1 382 . 12 1 1 A 57 57 CYS N N 57 123.897 125.370 -1.473 1
1 383 . 12 1 1 A 58 58 THR H H 58 10.180 8.571 1.609 1
1 384 . 12 1 1 A 58 58 THR HA H 58 4.442 4.562 -0.120 1
1 389 . 12 1 1 A 58 58 THR N N 58 117.445 115.263 2.182 1
1 390 . 12 1 1 A 59 59 GLY H H 59 8.546 7.756 0.790 1
1 391 . 12 1 1 A 59 59 GLY HA2 H 59 4.460 3.997 0.463 1
1 392 . 12 1 1 A 59 59 GLY HA3 H 59 4.460 4.010 0.450 1
1 393 . 12 1 1 A 59 59 GLY N N 59 115.880 110.387 5.493 1
1 394 . 12 1 1 A 60 60 GLN H H 60 7.986 8.050 -0.064 1
1 395 . 12 1 1 A 60 60 GLN HA H 60 4.298 4.216 0.082 1
1 398 . 12 1 1 A 60 60 GLN N N 60 119.027 118.553 0.474 1
1 400 . 12 1 1 A 61 61 SER H H 61 6.630 7.642 -1.012 1
1 401 . 12 1 1 A 61 61 SER HA H 61 3.880 4.435 -0.555 1
1 404 . 12 1 1 A 61 61 SER N N 61 114.913 116.128 -1.215 1
1 405 . 12 1 1 A 62 62 ALA H H 62 9.027 8.737 0.290 1
1 406 . 12 1 1 A 62 62 ALA HA H 62 4.435 4.392 0.043 1
1 410 . 12 1 1 A 62 62 ALA N N 62 129.628 130.041 -0.413 1
1 411 . 12 1 1 A 63 63 ASP H H 63 8.080 8.016 0.064 1
1 412 . 12 1 1 A 63 63 ASP HA H 63 4.895 4.751 0.144 1
1 415 . 12 1 1 A 63 63 ASP N N 63 121.506 115.829 5.677 1
1 416 . 12 1 1 A 64 64 CYS H H 64 8.924 8.566 0.358 1
1 417 . 12 1 1 A 64 64 CYS HA H 64 5.403 5.169 0.234 1
1 420 . 12 1 1 A 64 64 CYS N N 64 125.936 118.540 7.396 1
1 421 . 12 1 1 A 65 65 PRO HA H 65 4.375 4.572 -0.197 1
1 428 . 12 1 1 A 66 66 ARG H H 66 8.203 8.328 -0.125 1
1 429 . 12 1 1 A 66 66 ARG HA H 66 4.362 4.515 -0.153 1
1 436 . 12 1 1 A 66 66 ARG N N 66 123.580 120.425 3.155 1
1 437 . 12 1 1 A 67 67 TYR H H 67 8.650 7.525 1.125 1
1 438 . 12 1 1 A 67 67 TYR HA H 67 4.459 5.177 -0.718 1
1 445 . 12 1 1 A 67 67 TYR N N 67 128.872 119.282 9.590 1
1 5 . 13 1 1 A 2 2 LYS H H 2 8.331 8.621 -0.290 1
1 10 . 13 1 1 A 2 2 LYS N N 2 125.285 124.508 0.777 1
1 11 . 13 1 1 A 3 3 GLU H H 3 8.659 8.764 -0.105 1
1 12 . 13 1 1 A 3 3 GLU HA H 3 4.322 4.511 -0.189 1
1 17 . 13 1 1 A 3 3 GLU N N 3 125.356 123.993 1.363 1
1 18 . 13 1 1 A 4 4 CYS H H 4 8.116 7.684 0.432 1
1 19 . 13 1 1 A 4 4 CYS HA H 4 4.975 5.403 -0.428 1
1 22 . 13 1 1 A 4 4 CYS N N 4 123.773 121.534 2.239 1
1 23 . 13 1 1 A 5 5 ASP H H 5 8.776 9.545 -0.769 1
1 24 . 13 1 1 A 5 5 ASP HA H 5 4.817 4.688 0.129 1
1 27 . 13 1 1 A 5 5 ASP N N 5 123.756 124.928 -1.172 1
1 28 . 13 1 1 A 6 6 CYS H H 6 6.975 7.273 -0.298 1
1 29 . 13 1 1 A 6 6 CYS HA H 6 4.931 4.857 0.074 1
1 32 . 13 1 1 A 6 6 CYS N N 6 116.724 114.389 2.335 1
1 33 . 13 1 1 A 7 7 SER H H 7 9.659 8.887 0.772 1
1 34 . 13 1 1 A 7 7 SER HA H 7 4.226 4.709 -0.483 1
1 37 . 13 1 1 A 7 7 SER N N 7 123.545 117.012 6.533 1
1 38 . 13 1 1 A 8 8 SER H H 8 7.862 7.010 0.852 1
1 39 . 13 1 1 A 8 8 SER HA H 8 5.137 4.935 0.202 1
1 42 . 13 1 1 A 8 8 SER N N 8 119.712 113.610 6.102 1
1 43 . 13 1 1 A 9 9 PRO HA H 9 4.559 4.502 0.057 1
1 50 . 13 1 1 A 10 10 GLU H H 10 8.244 8.669 -0.425 1
1 51 . 13 1 1 A 10 10 GLU HA H 10 4.294 4.265 0.029 1
1 56 . 13 1 1 A 10 10 GLU N N 10 120.855 117.185 3.670 1
1 57 . 13 1 1 A 11 11 ASN H H 11 7.260 7.931 -0.671 1
1 58 . 13 1 1 A 11 11 ASN HA H 11 4.794 4.925 -0.131 1
1 63 . 13 1 1 A 11 11 ASN N N 11 124.776 122.195 2.581 1
1 65 . 13 1 1 A 12 12 PRO HA H 12 4.704 4.443 0.261 1
1 72 . 13 1 1 A 13 13 CYS H H 13 8.931 8.574 0.357 1
1 73 . 13 1 1 A 13 13 CYS HA H 13 4.648 4.371 0.277 1
1 76 . 13 1 1 A 13 13 CYS N N 13 121.945 114.398 7.547 1
1 77 . 13 1 1 A 14 14 CYS H H 14 7.543 7.655 -0.112 1
1 78 . 13 1 1 A 14 14 CYS HA H 14 5.056 5.048 0.008 1
1 81 . 13 1 1 A 14 14 CYS N N 14 116.460 115.981 0.479 1
1 82 . 13 1 1 A 15 15 ASP H H 15 8.212 8.958 -0.746 1
1 83 . 13 1 1 A 15 15 ASP HA H 15 4.570 4.392 0.178 1
1 86 . 13 1 1 A 15 15 ASP N N 15 125.197 126.385 -1.188 1
1 87 . 13 1 1 A 16 16 ALA H H 16 8.996 8.965 0.031 1
1 88 . 13 1 1 A 16 16 ALA HA H 16 4.148 3.988 0.160 1
1 92 . 13 1 1 A 16 16 ALA N N 16 135.341 129.544 5.797 1
1 93 . 13 1 1 A 17 17 ALA H H 17 8.669 7.978 0.691 1
1 94 . 13 1 1 A 17 17 ALA HA H 17 4.361 4.043 0.318 1
1 98 . 13 1 1 A 17 17 ALA N N 17 121.910 118.673 3.237 1
1 99 . 13 1 1 A 18 18 THR H H 18 7.743 7.780 -0.037 1
1 100 . 13 1 1 A 18 18 THR HA H 18 4.445 4.452 -0.007 1
1 105 . 13 1 1 A 18 18 THR N N 18 109.481 109.219 0.262 1
1 106 . 13 1 1 A 19 19 CYS H H 19 8.601 8.023 0.578 1
1 107 . 13 1 1 A 19 19 CYS HA H 19 4.642 4.137 0.505 1
1 110 . 13 1 1 A 19 19 CYS N N 19 123.176 120.001 3.175 1
1 111 . 13 1 1 A 20 20 LYS H H 20 7.964 7.280 0.684 1
1 112 . 13 1 1 A 20 20 LYS HA H 20 4.945 4.759 0.186 1
1 117 . 13 1 1 A 20 20 LYS N N 20 122.525 119.949 2.576 1
1 118 . 13 1 1 A 21 21 LEU H H 21 9.211 8.562 0.649 1
1 119 . 13 1 1 A 21 21 LEU HA H 21 4.285 4.484 -0.199 1
1 129 . 13 1 1 A 21 21 LEU N N 21 124.582 122.906 1.676 1
1 130 . 13 1 1 A 22 22 ARG H H 22 8.490 8.432 0.058 1
1 131 . 13 1 1 A 22 22 ARG HA H 22 4.448 4.373 0.075 1
1 137 . 13 1 1 A 22 22 ARG N N 22 126.604 124.949 1.655 1
1 139 . 13 1 1 A 23 23 PRO HA H 23 4.389 4.513 -0.124 1
1 144 . 13 1 1 A 24 24 GLY H H 24 8.830 8.346 0.484 1
1 145 . 13 1 1 A 24 24 GLY HA2 H 24 4.295 3.887 0.408 1
1 146 . 13 1 1 A 24 24 GLY HA3 H 24 3.664 3.888 -0.224 1
1 147 . 13 1 1 A 24 24 GLY N N 24 117.708 106.580 11.128 1
1 148 . 13 1 1 A 25 25 ALA H H 25 7.942 7.814 0.128 1
1 149 . 13 1 1 A 25 25 ALA HA H 25 4.540 4.218 0.322 1
1 153 . 13 1 1 A 25 25 ALA N N 25 127.553 122.961 4.592 1
1 154 . 13 1 1 A 26 26 GLN H H 26 8.827 8.651 0.176 1
1 155 . 13 1 1 A 26 26 GLN HA H 26 4.113 4.046 0.067 1
1 162 . 13 1 1 A 26 26 GLN N N 26 122.086 121.174 0.912 1
1 164 . 13 1 1 A 27 27 CYS H H 27 7.805 7.182 0.623 1
1 165 . 13 1 1 A 27 27 CYS HA H 27 4.555 4.655 -0.100 1
1 168 . 13 1 1 A 27 27 CYS N N 27 117.409 112.324 5.085 1
1 169 . 13 1 1 A 28 28 GLY H H 28 9.163 8.685 0.478 1
1 170 . 13 1 1 A 28 28 GLY HA2 H 28 4.446 3.834 0.612 1
1 171 . 13 1 1 A 28 28 GLY HA3 H 28 3.574 3.849 -0.275 1
1 172 . 13 1 1 A 28 28 GLY N N 28 109.041 109.780 -0.739 1
1 173 . 13 1 1 A 29 29 GLU H H 29 7.844 7.633 0.211 1
1 174 . 13 1 1 A 29 29 GLU HA H 29 4.782 4.732 0.050 1
1 179 . 13 1 1 A 29 29 GLU N N 29 122.174 117.953 4.221 1
1 180 . 13 1 1 A 30 30 GLY H H 30 8.391 8.418 -0.027 1
1 181 . 13 1 1 A 30 30 GLY HA2 H 30 4.915 4.288 0.627 1
1 182 . 13 1 1 A 30 30 GLY HA3 H 30 3.925 4.302 -0.377 1
1 183 . 13 1 1 A 30 30 GLY N N 30 112.663 110.005 2.658 1
1 184 . 13 1 1 A 31 31 LEU H H 31 8.960 8.705 0.255 1
1 185 . 13 1 1 A 31 31 LEU HA H 31 4.354 3.929 0.425 1
1 195 . 13 1 1 A 31 31 LEU N N 31 125.039 119.654 5.385 1
1 196 . 13 1 1 A 32 32 CYS H H 32 8.467 8.564 -0.097 1
1 197 . 13 1 1 A 32 32 CYS HA H 32 5.108 4.623 0.485 1
1 200 . 13 1 1 A 32 32 CYS N N 32 119.167 114.095 5.072 1
1 201 . 13 1 1 A 33 33 CYS H H 33 7.365 8.122 -0.757 1
1 202 . 13 1 1 A 33 33 CYS HA H 33 5.291 5.454 -0.163 1
1 205 . 13 1 1 A 33 33 CYS N N 33 125.303 121.260 4.043 1
1 206 . 13 1 1 A 34 34 GLU H H 34 9.742 8.490 1.252 1
1 207 . 13 1 1 A 34 34 GLU HA H 34 4.682 4.763 -0.081 1
1 212 . 13 1 1 A 34 34 GLU N N 34 132.652 124.473 8.179 1
1 213 . 13 1 1 A 35 35 GLN H H 35 9.453 9.491 -0.038 1
1 214 . 13 1 1 A 35 35 GLN HA H 35 3.999 3.900 0.099 1
1 219 . 13 1 1 A 35 35 GLN N N 35 129.593 122.006 7.587 1
1 221 . 13 1 1 A 36 36 CYS H H 36 8.492 8.389 0.103 1
1 222 . 13 1 1 A 36 36 CYS HA H 36 4.801 4.318 0.483 1
1 225 . 13 1 1 A 36 36 CYS N N 36 109.569 109.547 0.022 1
1 226 . 13 1 1 A 37 37 LYS H H 37 8.024 7.408 0.616 1
1 227 . 13 1 1 A 37 37 LYS HA H 37 4.703 4.714 -0.011 1
1 236 . 13 1 1 A 37 37 LYS N N 37 125.110 118.738 6.372 1
1 237 . 13 1 1 A 38 38 PHE H H 38 8.276 8.505 -0.229 1
1 238 . 13 1 1 A 38 38 PHE HA H 38 5.141 4.507 0.634 1
1 245 . 13 1 1 A 38 38 PHE N N 38 123.897 120.569 3.328 1
1 246 . 13 1 1 A 39 39 SER H H 39 9.044 8.425 0.619 1
1 247 . 13 1 1 A 39 39 SER HA H 39 4.274 4.636 -0.362 1
1 250 . 13 1 1 A 39 39 SER N N 39 125.655 119.129 6.526 1
1 251 . 13 1 1 A 40 40 ARG H H 40 8.573 8.649 -0.076 1
1 252 . 13 1 1 A 40 40 ARG HA H 40 4.101 4.975 -0.874 1
1 259 . 13 1 1 A 40 40 ARG N N 40 125.848 120.095 5.753 1
1 260 . 13 1 1 A 41 41 ALA H H 41 8.501 8.557 -0.056 1
1 261 . 13 1 1 A 41 41 ALA HA H 41 3.724 4.463 -0.739 1
1 265 . 13 1 1 A 41 41 ALA N N 41 127.729 125.425 2.304 1
1 266 . 13 1 1 A 42 42 GLY H H 42 8.619 8.525 0.094 1
1 267 . 13 1 1 A 42 42 GLY HA2 H 42 4.486 3.866 0.620 1
1 268 . 13 1 1 A 42 42 GLY HA3 H 42 3.587 3.874 -0.287 1
1 269 . 13 1 1 A 42 42 GLY N N 42 114.579 109.339 5.240 1
1 270 . 13 1 1 A 43 43 LYS H H 43 7.535 7.444 0.091 1
1 271 . 13 1 1 A 43 43 LYS HA H 43 4.149 4.585 -0.436 1
1 280 . 13 1 1 A 43 43 LYS N N 43 126.780 121.551 5.229 1
1 281 . 13 1 1 A 44 44 ILE H H 44 8.810 8.945 -0.135 1
1 282 . 13 1 1 A 44 44 ILE HA H 44 4.167 4.616 -0.449 1
1 290 . 13 1 1 A 44 44 ILE N N 44 133.179 126.754 6.425 1
1 291 . 13 1 1 A 45 45 CYS H H 45 9.355 8.553 0.802 1
1 292 . 13 1 1 A 45 45 CYS HA H 45 5.160 4.815 0.345 1
1 295 . 13 1 1 A 45 45 CYS N N 45 127.500 123.394 4.106 1
1 296 . 13 1 1 A 46 46 ARG H H 46 7.675 7.569 0.106 1
1 297 . 13 1 1 A 46 46 ARG HA H 46 4.469 4.721 -0.252 1
1 304 . 13 1 1 A 46 46 ARG N N 46 126.375 119.212 7.163 1
1 305 . 13 1 1 A 47 47 ILE H H 47 8.400 8.925 -0.525 1
1 306 . 13 1 1 A 47 47 ILE HA H 47 4.663 4.818 -0.155 1
1 316 . 13 1 1 A 47 47 ILE N N 47 129.510 127.112 2.398 1
1 317 . 13 1 1 A 48 48 PRO HA H 48 4.491 4.813 -0.322 1
1 324 . 13 1 1 A 49 49 ARG H H 49 8.331 8.472 -0.141 1
1 325 . 13 1 1 A 49 49 ARG HA H 49 4.398 4.658 -0.260 1
1 332 . 13 1 1 A 49 49 ARG N N 49 122.965 122.106 0.859 1
1 333 . 13 1 1 A 50 50 GLY H H 50 8.426 8.371 0.055 1
1 334 . 13 1 1 A 50 50 GLY HA2 H 50 3.958 4.185 -0.227 1
1 335 . 13 1 1 A 50 50 GLY HA3 H 50 3.915 4.186 -0.271 1
1 336 . 13 1 1 A 50 50 GLY N N 50 114.157 112.507 1.650 1
1 337 . 13 1 1 A 51 51 GLU H H 51 8.753 8.612 0.141 1
1 338 . 13 1 1 A 51 51 GLU HA H 51 4.345 4.599 -0.254 1
1 343 . 13 1 1 A 51 51 GLU N N 51 125.370 124.415 0.955 1
1 344 . 13 1 1 A 52 52 MET H H 52 7.745 7.512 0.233 1
1 345 . 13 1 1 A 52 52 MET HA H 52 4.839 4.614 0.225 1
1 350 . 13 1 1 A 52 52 MET N N 52 125.080 121.420 3.660 1
1 351 . 13 1 1 A 53 53 PRO HA H 53 4.485 4.667 -0.182 1
1 358 . 13 1 1 A 54 54 ASP H H 54 8.114 8.302 -0.188 1
1 359 . 13 1 1 A 54 54 ASP HA H 54 4.577 4.618 -0.041 1
1 362 . 13 1 1 A 54 54 ASP N N 54 122.385 122.724 -0.339 1
1 363 . 13 1 1 A 55 55 ASP H H 55 8.388 8.409 -0.021 1
1 364 . 13 1 1 A 55 55 ASP HA H 55 5.052 4.873 0.179 1
1 367 . 13 1 1 A 55 55 ASP N N 55 124.758 125.693 -0.935 1
1 368 . 13 1 1 A 56 56 ARG H H 56 8.358 9.050 -0.692 1
1 369 . 13 1 1 A 56 56 ARG HA H 56 5.332 5.518 -0.186 1
1 376 . 13 1 1 A 56 56 ARG N N 56 123.703 123.236 0.467 1
1 378 . 13 1 1 A 57 57 CYS H H 57 9.377 9.728 -0.351 1
1 379 . 13 1 1 A 57 57 CYS HA H 57 4.862 4.566 0.296 1
1 382 . 13 1 1 A 57 57 CYS N N 57 123.897 122.756 1.141 1
1 383 . 13 1 1 A 58 58 THR H H 58 10.180 8.559 1.621 1
1 384 . 13 1 1 A 58 58 THR HA H 58 4.442 4.574 -0.132 1
1 389 . 13 1 1 A 58 58 THR N N 58 117.445 114.990 2.455 1
1 390 . 13 1 1 A 59 59 GLY H H 59 8.546 7.703 0.843 1
1 391 . 13 1 1 A 59 59 GLY HA2 H 59 4.460 3.980 0.480 1
1 392 . 13 1 1 A 59 59 GLY HA3 H 59 4.460 4.005 0.455 1
1 393 . 13 1 1 A 59 59 GLY N N 59 115.880 110.811 5.069 1
1 394 . 13 1 1 A 60 60 GLN H H 60 7.986 8.264 -0.278 1
1 395 . 13 1 1 A 60 60 GLN HA H 60 4.298 3.995 0.303 1
1 398 . 13 1 1 A 60 60 GLN N N 60 119.027 118.548 0.479 1
1 400 . 13 1 1 A 61 61 SER H H 61 6.630 7.572 -0.942 1
1 401 . 13 1 1 A 61 61 SER HA H 61 3.880 4.607 -0.727 1
1 404 . 13 1 1 A 61 61 SER N N 61 114.913 115.470 -0.557 1
1 405 . 13 1 1 A 62 62 ALA H H 62 9.027 8.872 0.155 1
1 406 . 13 1 1 A 62 62 ALA HA H 62 4.435 4.607 -0.172 1
1 410 . 13 1 1 A 62 62 ALA N N 62 129.628 126.651 2.977 1
1 411 . 13 1 1 A 63 63 ASP H H 63 8.080 7.972 0.108 1
1 412 . 13 1 1 A 63 63 ASP HA H 63 4.895 4.733 0.162 1
1 415 . 13 1 1 A 63 63 ASP N N 63 121.506 115.986 5.520 1
1 416 . 13 1 1 A 64 64 CYS H H 64 8.924 8.594 0.330 1
1 417 . 13 1 1 A 64 64 CYS HA H 64 5.403 5.193 0.210 1
1 420 . 13 1 1 A 64 64 CYS N N 64 125.936 119.671 6.265 1
1 421 . 13 1 1 A 65 65 PRO HA H 65 4.375 4.571 -0.196 1
1 428 . 13 1 1 A 66 66 ARG H H 66 8.203 8.413 -0.210 1
1 429 . 13 1 1 A 66 66 ARG HA H 66 4.362 5.005 -0.643 1
1 436 . 13 1 1 A 66 66 ARG N N 66 123.580 117.989 5.591 1
1 437 . 13 1 1 A 67 67 TYR H H 67 8.650 8.855 -0.205 1
1 438 . 13 1 1 A 67 67 TYR HA H 67 4.459 4.299 0.160 1
1 445 . 13 1 1 A 67 67 TYR N N 67 128.872 122.376 6.496 1
1 5 . 14 1 1 A 2 2 LYS H H 2 8.331 8.006 0.325 1
1 10 . 14 1 1 A 2 2 LYS N N 2 125.285 120.124 5.161 1
1 11 . 14 1 1 A 3 3 GLU H H 3 8.659 8.488 0.171 1
1 12 . 14 1 1 A 3 3 GLU HA H 3 4.322 4.666 -0.344 1
1 17 . 14 1 1 A 3 3 GLU N N 3 125.356 116.248 9.108 1
1 18 . 14 1 1 A 4 4 CYS H H 4 8.116 7.605 0.511 1
1 19 . 14 1 1 A 4 4 CYS HA H 4 4.975 5.488 -0.513 1
1 22 . 14 1 1 A 4 4 CYS N N 4 123.773 118.808 4.965 1
1 23 . 14 1 1 A 5 5 ASP H H 5 8.776 8.707 0.069 1
1 24 . 14 1 1 A 5 5 ASP HA H 5 4.817 4.512 0.305 1
1 27 . 14 1 1 A 5 5 ASP N N 5 123.756 125.892 -2.136 1
1 28 . 14 1 1 A 6 6 CYS H H 6 6.975 7.567 -0.592 1
1 29 . 14 1 1 A 6 6 CYS HA H 6 4.931 4.981 -0.050 1
1 32 . 14 1 1 A 6 6 CYS N N 6 116.724 115.725 0.999 1
1 33 . 14 1 1 A 7 7 SER H H 7 9.659 8.786 0.873 1
1 34 . 14 1 1 A 7 7 SER HA H 7 4.226 4.697 -0.471 1
1 37 . 14 1 1 A 7 7 SER N N 7 123.545 119.139 4.406 1
1 38 . 14 1 1 A 8 8 SER H H 8 7.862 7.844 0.018 1
1 39 . 14 1 1 A 8 8 SER HA H 8 5.137 4.975 0.162 1
1 42 . 14 1 1 A 8 8 SER N N 8 119.712 116.639 3.073 1
1 43 . 14 1 1 A 9 9 PRO HA H 9 4.559 4.547 0.012 1
1 50 . 14 1 1 A 10 10 GLU H H 10 8.244 8.282 -0.038 1
1 51 . 14 1 1 A 10 10 GLU HA H 10 4.294 4.571 -0.277 1
1 56 . 14 1 1 A 10 10 GLU N N 10 120.855 116.554 4.301 1
1 57 . 14 1 1 A 11 11 ASN H H 11 7.260 7.439 -0.179 1
1 58 . 14 1 1 A 11 11 ASN HA H 11 4.794 4.981 -0.187 1
1 63 . 14 1 1 A 11 11 ASN N N 11 124.776 122.532 2.244 1
1 65 . 14 1 1 A 12 12 PRO HA H 12 4.704 4.497 0.207 1
1 72 . 14 1 1 A 13 13 CYS H H 13 8.931 8.410 0.521 1
1 73 . 14 1 1 A 13 13 CYS HA H 13 4.648 4.689 -0.041 1
1 76 . 14 1 1 A 13 13 CYS N N 13 121.945 114.379 7.566 1
1 77 . 14 1 1 A 14 14 CYS H H 14 7.543 7.302 0.241 1
1 78 . 14 1 1 A 14 14 CYS HA H 14 5.056 5.503 -0.447 1
1 81 . 14 1 1 A 14 14 CYS N N 14 116.460 117.490 -1.030 1
1 82 . 14 1 1 A 15 15 ASP H H 15 8.212 10.054 -1.842 1
1 83 . 14 1 1 A 15 15 ASP HA H 15 4.570 4.923 -0.353 1
1 86 . 14 1 1 A 15 15 ASP N N 15 125.197 122.803 2.394 1
1 87 . 14 1 1 A 16 16 ALA H H 16 8.996 9.086 -0.090 1
1 88 . 14 1 1 A 16 16 ALA HA H 16 4.148 4.015 0.133 1
1 92 . 14 1 1 A 16 16 ALA N N 16 135.341 129.097 6.244 1
1 93 . 14 1 1 A 17 17 ALA H H 17 8.669 7.458 1.211 1
1 94 . 14 1 1 A 17 17 ALA HA H 17 4.361 4.231 0.130 1
1 98 . 14 1 1 A 17 17 ALA N N 17 121.910 119.449 2.461 1
1 99 . 14 1 1 A 18 18 THR H H 18 7.743 7.580 0.163 1
1 100 . 14 1 1 A 18 18 THR HA H 18 4.445 4.371 0.074 1
1 105 . 14 1 1 A 18 18 THR N N 18 109.481 106.099 3.382 1
1 106 . 14 1 1 A 19 19 CYS H H 19 8.601 8.312 0.289 1
1 107 . 14 1 1 A 19 19 CYS HA H 19 4.642 4.156 0.486 1
1 110 . 14 1 1 A 19 19 CYS N N 19 123.176 119.571 3.605 1
1 111 . 14 1 1 A 20 20 LYS H H 20 7.964 7.094 0.870 1
1 112 . 14 1 1 A 20 20 LYS HA H 20 4.945 4.940 0.005 1
1 117 . 14 1 1 A 20 20 LYS N N 20 122.525 118.671 3.854 1
1 118 . 14 1 1 A 21 21 LEU H H 21 9.211 8.743 0.468 1
1 119 . 14 1 1 A 21 21 LEU HA H 21 4.285 4.638 -0.353 1
1 129 . 14 1 1 A 21 21 LEU N N 21 124.582 121.414 3.168 1
1 130 . 14 1 1 A 22 22 ARG H H 22 8.490 8.765 -0.275 1
1 131 . 14 1 1 A 22 22 ARG HA H 22 4.448 4.413 0.035 1
1 137 . 14 1 1 A 22 22 ARG N N 22 126.604 125.107 1.497 1
1 139 . 14 1 1 A 23 23 PRO HA H 23 4.389 4.507 -0.118 1
1 144 . 14 1 1 A 24 24 GLY H H 24 8.830 8.366 0.464 1
1 145 . 14 1 1 A 24 24 GLY HA2 H 24 4.295 3.876 0.419 1
1 146 . 14 1 1 A 24 24 GLY HA3 H 24 3.664 3.878 -0.214 1
1 147 . 14 1 1 A 24 24 GLY N N 24 117.708 106.222 11.486 1
1 148 . 14 1 1 A 25 25 ALA H H 25 7.942 7.854 0.088 1
1 149 . 14 1 1 A 25 25 ALA HA H 25 4.540 4.214 0.326 1
1 153 . 14 1 1 A 25 25 ALA N N 25 127.553 122.830 4.723 1
1 154 . 14 1 1 A 26 26 GLN H H 26 8.827 8.847 -0.020 1
1 155 . 14 1 1 A 26 26 GLN HA H 26 4.113 4.020 0.093 1
1 162 . 14 1 1 A 26 26 GLN N N 26 122.086 119.228 2.858 1
1 164 . 14 1 1 A 27 27 CYS H H 27 7.805 7.289 0.516 1
1 165 . 14 1 1 A 27 27 CYS HA H 27 4.555 4.978 -0.423 1
1 168 . 14 1 1 A 27 27 CYS N N 27 117.409 112.925 4.484 1
1 169 . 14 1 1 A 28 28 GLY H H 28 9.163 8.873 0.290 1
1 170 . 14 1 1 A 28 28 GLY HA2 H 28 4.446 3.947 0.499 1
1 171 . 14 1 1 A 28 28 GLY HA3 H 28 3.574 3.949 -0.375 1
1 172 . 14 1 1 A 28 28 GLY N N 28 109.041 110.517 -1.476 1
1 173 . 14 1 1 A 29 29 GLU H H 29 7.844 7.846 -0.002 1
1 174 . 14 1 1 A 29 29 GLU HA H 29 4.782 4.809 -0.027 1
1 179 . 14 1 1 A 29 29 GLU N N 29 122.174 115.968 6.206 1
1 180 . 14 1 1 A 30 30 GLY H H 30 8.391 8.416 -0.025 1
1 181 . 14 1 1 A 30 30 GLY HA2 H 30 4.915 4.249 0.666 1
1 182 . 14 1 1 A 30 30 GLY HA3 H 30 3.925 4.252 -0.327 1
1 183 . 14 1 1 A 30 30 GLY N N 30 112.663 107.400 5.263 1
1 184 . 14 1 1 A 31 31 LEU H H 31 8.960 8.669 0.291 1
1 185 . 14 1 1 A 31 31 LEU HA H 31 4.354 4.016 0.338 1
1 195 . 14 1 1 A 31 31 LEU N N 31 125.039 119.830 5.209 1
1 196 . 14 1 1 A 32 32 CYS H H 32 8.467 8.350 0.117 1
1 197 . 14 1 1 A 32 32 CYS HA H 32 5.108 4.748 0.360 1
1 200 . 14 1 1 A 32 32 CYS N N 32 119.167 114.763 4.404 1
1 201 . 14 1 1 A 33 33 CYS H H 33 7.365 8.779 -1.414 1
1 202 . 14 1 1 A 33 33 CYS HA H 33 5.291 5.375 -0.084 1
1 205 . 14 1 1 A 33 33 CYS N N 33 125.303 122.652 2.651 1
1 206 . 14 1 1 A 34 34 GLU H H 34 9.742 8.527 1.215 1
1 207 . 14 1 1 A 34 34 GLU HA H 34 4.682 4.802 -0.120 1
1 212 . 14 1 1 A 34 34 GLU N N 34 132.652 126.416 6.236 1
1 213 . 14 1 1 A 35 35 GLN H H 35 9.453 9.469 -0.016 1
1 214 . 14 1 1 A 35 35 GLN HA H 35 3.999 3.932 0.067 1
1 219 . 14 1 1 A 35 35 GLN N N 35 129.593 122.485 7.108 1
1 221 . 14 1 1 A 36 36 CYS H H 36 8.492 8.454 0.038 1
1 222 . 14 1 1 A 36 36 CYS HA H 36 4.801 4.619 0.182 1
1 225 . 14 1 1 A 36 36 CYS N N 36 109.569 109.485 0.084 1
1 226 . 14 1 1 A 37 37 LYS H H 37 8.024 7.498 0.526 1
1 227 . 14 1 1 A 37 37 LYS HA H 37 4.703 4.876 -0.173 1
1 236 . 14 1 1 A 37 37 LYS N N 37 125.110 119.317 5.793 1
1 237 . 14 1 1 A 38 38 PHE H H 38 8.276 8.233 0.043 1
1 238 . 14 1 1 A 38 38 PHE HA H 38 5.141 4.497 0.644 1
1 245 . 14 1 1 A 38 38 PHE N N 38 123.897 119.840 4.057 1
1 246 . 14 1 1 A 39 39 SER H H 39 9.044 8.383 0.661 1
1 247 . 14 1 1 A 39 39 SER HA H 39 4.274 4.596 -0.322 1
1 250 . 14 1 1 A 39 39 SER N N 39 125.655 118.810 6.845 1
1 251 . 14 1 1 A 40 40 ARG H H 40 8.573 8.628 -0.055 1
1 252 . 14 1 1 A 40 40 ARG HA H 40 4.101 4.945 -0.844 1
1 259 . 14 1 1 A 40 40 ARG N N 40 125.848 120.400 5.448 1
1 260 . 14 1 1 A 41 41 ALA H H 41 8.501 8.577 -0.076 1
1 261 . 14 1 1 A 41 41 ALA HA H 41 3.724 4.493 -0.769 1
1 265 . 14 1 1 A 41 41 ALA N N 41 127.729 125.671 2.058 1
1 266 . 14 1 1 A 42 42 GLY H H 42 8.619 8.691 -0.072 1
1 267 . 14 1 1 A 42 42 GLY HA2 H 42 4.486 3.854 0.632 1
1 268 . 14 1 1 A 42 42 GLY HA3 H 42 3.587 3.855 -0.268 1
1 269 . 14 1 1 A 42 42 GLY N N 42 114.579 109.393 5.186 1
1 270 . 14 1 1 A 43 43 LYS H H 43 7.535 7.362 0.173 1
1 271 . 14 1 1 A 43 43 LYS HA H 43 4.149 4.619 -0.470 1
1 280 . 14 1 1 A 43 43 LYS N N 43 126.780 121.167 5.613 1
1 281 . 14 1 1 A 44 44 ILE H H 44 8.810 8.404 0.406 1
1 282 . 14 1 1 A 44 44 ILE HA H 44 4.167 4.510 -0.343 1
1 290 . 14 1 1 A 44 44 ILE N N 44 133.179 126.250 6.929 1
1 291 . 14 1 1 A 45 45 CYS H H 45 9.355 8.970 0.385 1
1 292 . 14 1 1 A 45 45 CYS HA H 45 5.160 4.767 0.393 1
1 295 . 14 1 1 A 45 45 CYS N N 45 127.500 125.742 1.758 1
1 296 . 14 1 1 A 46 46 ARG H H 46 7.675 7.638 0.037 1
1 297 . 14 1 1 A 46 46 ARG HA H 46 4.469 4.882 -0.413 1
1 304 . 14 1 1 A 46 46 ARG N N 46 126.375 119.911 6.464 1
1 305 . 14 1 1 A 47 47 ILE H H 47 8.400 8.793 -0.393 1
1 306 . 14 1 1 A 47 47 ILE HA H 47 4.663 4.711 -0.048 1
1 316 . 14 1 1 A 47 47 ILE N N 47 129.510 123.014 6.496 1
1 317 . 14 1 1 A 48 48 PRO HA H 48 4.491 4.789 -0.298 1
1 324 . 14 1 1 A 49 49 ARG H H 49 8.331 8.611 -0.280 1
1 325 . 14 1 1 A 49 49 ARG HA H 49 4.398 4.598 -0.200 1
1 332 . 14 1 1 A 49 49 ARG N N 49 122.965 121.594 1.371 1
1 333 . 14 1 1 A 50 50 GLY H H 50 8.426 8.517 -0.091 1
1 334 . 14 1 1 A 50 50 GLY HA2 H 50 3.958 3.950 0.008 1
1 335 . 14 1 1 A 50 50 GLY HA3 H 50 3.915 3.954 -0.039 1
1 336 . 14 1 1 A 50 50 GLY N N 50 114.157 108.275 5.882 1
1 337 . 14 1 1 A 51 51 GLU H H 51 8.753 7.677 1.076 1
1 338 . 14 1 1 A 51 51 GLU HA H 51 4.345 4.496 -0.151 1
1 343 . 14 1 1 A 51 51 GLU N N 51 125.370 114.875 10.495 1
1 344 . 14 1 1 A 52 52 MET H H 52 7.745 8.129 -0.384 1
1 345 . 14 1 1 A 52 52 MET HA H 52 4.839 4.600 0.239 1
1 350 . 14 1 1 A 52 52 MET N N 52 125.080 120.381 4.699 1
1 351 . 14 1 1 A 53 53 PRO HA H 53 4.485 4.475 0.010 1
1 358 . 14 1 1 A 54 54 ASP H H 54 8.114 8.396 -0.282 1
1 359 . 14 1 1 A 54 54 ASP HA H 54 4.577 4.667 -0.090 1
1 362 . 14 1 1 A 54 54 ASP N N 54 122.385 121.639 0.746 1
1 363 . 14 1 1 A 55 55 ASP H H 55 8.388 8.892 -0.504 1
1 364 . 14 1 1 A 55 55 ASP HA H 55 5.052 4.838 0.214 1
1 367 . 14 1 1 A 55 55 ASP N N 55 124.758 126.198 -1.440 1
1 368 . 14 1 1 A 56 56 ARG H H 56 8.358 8.953 -0.595 1
1 369 . 14 1 1 A 56 56 ARG HA H 56 5.332 5.495 -0.163 1
1 376 . 14 1 1 A 56 56 ARG N N 56 123.703 123.775 -0.072 1
1 378 . 14 1 1 A 57 57 CYS H H 57 9.377 9.561 -0.184 1
1 379 . 14 1 1 A 57 57 CYS HA H 57 4.862 4.568 0.294 1
1 382 . 14 1 1 A 57 57 CYS N N 57 123.897 122.725 1.172 1
1 383 . 14 1 1 A 58 58 THR H H 58 10.180 8.534 1.646 1
1 384 . 14 1 1 A 58 58 THR HA H 58 4.442 4.777 -0.335 1
1 389 . 14 1 1 A 58 58 THR N N 58 117.445 114.052 3.393 1
1 390 . 14 1 1 A 59 59 GLY H H 59 8.546 7.842 0.704 1
1 391 . 14 1 1 A 59 59 GLY HA2 H 59 4.460 3.973 0.487 1
1 392 . 14 1 1 A 59 59 GLY HA3 H 59 4.460 3.989 0.471 1
1 393 . 14 1 1 A 59 59 GLY N N 59 115.880 110.798 5.082 1
1 394 . 14 1 1 A 60 60 GLN H H 60 7.986 8.905 -0.919 1
1 395 . 14 1 1 A 60 60 GLN HA H 60 4.298 4.473 -0.175 1
1 398 . 14 1 1 A 60 60 GLN N N 60 119.027 119.919 -0.892 1
1 400 . 14 1 1 A 61 61 SER H H 61 6.630 7.534 -0.904 1
1 401 . 14 1 1 A 61 61 SER HA H 61 3.880 4.175 -0.295 1
1 404 . 14 1 1 A 61 61 SER N N 61 114.913 116.285 -1.372 1
1 405 . 14 1 1 A 62 62 ALA H H 62 9.027 7.828 1.199 1
1 406 . 14 1 1 A 62 62 ALA HA H 62 4.435 4.130 0.305 1
1 410 . 14 1 1 A 62 62 ALA N N 62 129.628 129.807 -0.179 1
1 411 . 14 1 1 A 63 63 ASP H H 63 8.080 7.826 0.254 1
1 412 . 14 1 1 A 63 63 ASP HA H 63 4.895 4.659 0.236 1
1 415 . 14 1 1 A 63 63 ASP N N 63 121.506 116.549 4.957 1
1 416 . 14 1 1 A 64 64 CYS H H 64 8.924 8.310 0.614 1
1 417 . 14 1 1 A 64 64 CYS HA H 64 5.403 5.089 0.314 1
1 420 . 14 1 1 A 64 64 CYS N N 64 125.936 119.417 6.519 1
1 421 . 14 1 1 A 65 65 PRO HA H 65 4.375 4.374 0.001 1
1 428 . 14 1 1 A 66 66 ARG H H 66 8.203 7.492 0.711 1
1 429 . 14 1 1 A 66 66 ARG HA H 66 4.362 4.456 -0.094 1
1 436 . 14 1 1 A 66 66 ARG N N 66 123.580 113.703 9.877 1
1 437 . 14 1 1 A 67 67 TYR H H 67 8.650 7.591 1.059 1
1 438 . 14 1 1 A 67 67 TYR HA H 67 4.459 4.773 -0.314 1
1 445 . 14 1 1 A 67 67 TYR N N 67 128.872 117.435 11.437 1
1 5 . 15 1 1 A 2 2 LYS H H 2 8.331 8.598 -0.267 1
1 10 . 15 1 1 A 2 2 LYS N N 2 125.285 125.165 0.120 1
1 11 . 15 1 1 A 3 3 GLU H H 3 8.659 8.725 -0.066 1
1 12 . 15 1 1 A 3 3 GLU HA H 3 4.322 4.488 -0.166 1
1 17 . 15 1 1 A 3 3 GLU N N 3 125.356 127.320 -1.964 1
1 18 . 15 1 1 A 4 4 CYS H H 4 8.116 7.806 0.310 1
1 19 . 15 1 1 A 4 4 CYS HA H 4 4.975 5.440 -0.465 1
1 22 . 15 1 1 A 4 4 CYS N N 4 123.773 117.001 6.772 1
1 23 . 15 1 1 A 5 5 ASP H H 5 8.776 8.811 -0.035 1
1 24 . 15 1 1 A 5 5 ASP HA H 5 4.817 4.924 -0.107 1
1 27 . 15 1 1 A 5 5 ASP N N 5 123.756 127.714 -3.958 1
1 28 . 15 1 1 A 6 6 CYS H H 6 6.975 7.415 -0.440 1
1 29 . 15 1 1 A 6 6 CYS HA H 6 4.931 4.849 0.082 1
1 32 . 15 1 1 A 6 6 CYS N N 6 116.724 119.081 -2.357 1
1 33 . 15 1 1 A 7 7 SER H H 7 9.659 8.854 0.805 1
1 34 . 15 1 1 A 7 7 SER HA H 7 4.226 4.664 -0.438 1
1 37 . 15 1 1 A 7 7 SER N N 7 123.545 124.667 -1.122 1
1 38 . 15 1 1 A 8 8 SER H H 8 7.862 7.343 0.519 1
1 39 . 15 1 1 A 8 8 SER HA H 8 5.137 4.956 0.181 1
1 42 . 15 1 1 A 8 8 SER N N 8 119.712 117.137 2.575 1
1 43 . 15 1 1 A 9 9 PRO HA H 9 4.559 4.452 0.107 1
1 50 . 15 1 1 A 10 10 GLU H H 10 8.244 8.917 -0.673 1
1 51 . 15 1 1 A 10 10 GLU HA H 10 4.294 4.156 0.138 1
1 56 . 15 1 1 A 10 10 GLU N N 10 120.855 115.634 5.221 1
1 57 . 15 1 1 A 11 11 ASN H H 11 7.260 7.659 -0.399 1
1 58 . 15 1 1 A 11 11 ASN HA H 11 4.794 4.789 0.005 1
1 63 . 15 1 1 A 11 11 ASN N N 11 124.776 119.416 5.360 1
1 65 . 15 1 1 A 12 12 PRO HA H 12 4.704 4.425 0.279 1
1 72 . 15 1 1 A 13 13 CYS H H 13 8.931 8.063 0.868 1
1 73 . 15 1 1 A 13 13 CYS HA H 13 4.648 4.628 0.020 1
1 76 . 15 1 1 A 13 13 CYS N N 13 121.945 115.432 6.513 1
1 77 . 15 1 1 A 14 14 CYS H H 14 7.543 7.302 0.241 1
1 78 . 15 1 1 A 14 14 CYS HA H 14 5.056 5.413 -0.357 1
1 81 . 15 1 1 A 14 14 CYS N N 14 116.460 117.271 -0.811 1
1 82 . 15 1 1 A 15 15 ASP H H 15 8.212 9.898 -1.686 1
1 83 . 15 1 1 A 15 15 ASP HA H 15 4.570 5.103 -0.533 1
1 86 . 15 1 1 A 15 15 ASP N N 15 125.197 121.294 3.903 1
1 87 . 15 1 1 A 16 16 ALA H H 16 8.996 9.084 -0.088 1
1 88 . 15 1 1 A 16 16 ALA HA H 16 4.148 3.966 0.182 1
1 92 . 15 1 1 A 16 16 ALA N N 16 135.341 128.870 6.471 1
1 93 . 15 1 1 A 17 17 ALA H H 17 8.669 7.610 1.059 1
1 94 . 15 1 1 A 17 17 ALA HA H 17 4.361 4.068 0.293 1
1 98 . 15 1 1 A 17 17 ALA N N 17 121.910 119.559 2.351 1
1 99 . 15 1 1 A 18 18 THR H H 18 7.743 7.839 -0.096 1
1 100 . 15 1 1 A 18 18 THR HA H 18 4.445 4.396 0.049 1
1 105 . 15 1 1 A 18 18 THR N N 18 109.481 109.529 -0.048 1
1 106 . 15 1 1 A 19 19 CYS H H 19 8.601 8.602 -0.001 1
1 107 . 15 1 1 A 19 19 CYS HA H 19 4.642 4.145 0.497 1
1 110 . 15 1 1 A 19 19 CYS N N 19 123.176 119.826 3.350 1
1 111 . 15 1 1 A 20 20 LYS H H 20 7.964 7.171 0.793 1
1 112 . 15 1 1 A 20 20 LYS HA H 20 4.945 4.904 0.041 1
1 117 . 15 1 1 A 20 20 LYS N N 20 122.525 119.741 2.784 1
1 118 . 15 1 1 A 21 21 LEU H H 21 9.211 8.708 0.503 1
1 119 . 15 1 1 A 21 21 LEU HA H 21 4.285 4.587 -0.302 1
1 129 . 15 1 1 A 21 21 LEU N N 21 124.582 121.489 3.093 1
1 130 . 15 1 1 A 22 22 ARG H H 22 8.490 8.330 0.160 1
1 131 . 15 1 1 A 22 22 ARG HA H 22 4.448 4.329 0.119 1
1 137 . 15 1 1 A 22 22 ARG N N 22 126.604 125.454 1.150 1
1 139 . 15 1 1 A 23 23 PRO HA H 23 4.389 4.508 -0.119 1
1 144 . 15 1 1 A 24 24 GLY H H 24 8.830 8.338 0.492 1
1 145 . 15 1 1 A 24 24 GLY HA2 H 24 4.295 3.910 0.385 1
1 146 . 15 1 1 A 24 24 GLY HA3 H 24 3.664 3.911 -0.247 1
1 147 . 15 1 1 A 24 24 GLY N N 24 117.708 106.396 11.312 1
1 148 . 15 1 1 A 25 25 ALA H H 25 7.942 7.773 0.169 1
1 149 . 15 1 1 A 25 25 ALA HA H 25 4.540 4.190 0.350 1
1 153 . 15 1 1 A 25 25 ALA N N 25 127.553 122.948 4.605 1
1 154 . 15 1 1 A 26 26 GLN H H 26 8.827 8.227 0.600 1
1 155 . 15 1 1 A 26 26 GLN HA H 26 4.113 4.005 0.108 1
1 162 . 15 1 1 A 26 26 GLN N N 26 122.086 119.663 2.423 1
1 164 . 15 1 1 A 27 27 CYS H H 27 7.805 7.403 0.402 1
1 165 . 15 1 1 A 27 27 CYS HA H 27 4.555 4.718 -0.163 1
1 168 . 15 1 1 A 27 27 CYS N N 27 117.409 115.775 1.634 1
1 169 . 15 1 1 A 28 28 GLY H H 28 9.163 8.760 0.403 1
1 170 . 15 1 1 A 28 28 GLY HA2 H 28 4.446 3.834 0.612 1
1 171 . 15 1 1 A 28 28 GLY HA3 H 28 3.574 3.853 -0.279 1
1 172 . 15 1 1 A 28 28 GLY N N 28 109.041 114.508 -5.467 1
1 173 . 15 1 1 A 29 29 GLU H H 29 7.844 7.649 0.195 1
1 174 . 15 1 1 A 29 29 GLU HA H 29 4.782 4.763 0.019 1
1 179 . 15 1 1 A 29 29 GLU N N 29 122.174 117.888 4.286 1
1 180 . 15 1 1 A 30 30 GLY H H 30 8.391 8.436 -0.045 1
1 181 . 15 1 1 A 30 30 GLY HA2 H 30 4.915 4.295 0.620 1
1 182 . 15 1 1 A 30 30 GLY HA3 H 30 3.925 4.316 -0.391 1
1 183 . 15 1 1 A 30 30 GLY N N 30 112.663 111.501 1.162 1
1 184 . 15 1 1 A 31 31 LEU H H 31 8.960 8.904 0.056 1
1 185 . 15 1 1 A 31 31 LEU HA H 31 4.354 3.957 0.397 1
1 195 . 15 1 1 A 31 31 LEU N N 31 125.039 120.240 4.799 1
1 196 . 15 1 1 A 32 32 CYS H H 32 8.467 8.477 -0.010 1
1 197 . 15 1 1 A 32 32 CYS HA H 32 5.108 4.737 0.371 1
1 200 . 15 1 1 A 32 32 CYS N N 32 119.167 113.378 5.789 1
1 201 . 15 1 1 A 33 33 CYS H H 33 7.365 7.307 0.058 1
1 202 . 15 1 1 A 33 33 CYS HA H 33 5.291 5.749 -0.458 1
1 205 . 15 1 1 A 33 33 CYS N N 33 125.303 120.492 4.811 1
1 206 . 15 1 1 A 34 34 GLU H H 34 9.742 8.656 1.086 1
1 207 . 15 1 1 A 34 34 GLU HA H 34 4.682 4.736 -0.054 1
1 212 . 15 1 1 A 34 34 GLU N N 34 132.652 125.378 7.274 1
1 213 . 15 1 1 A 35 35 GLN H H 35 9.453 9.409 0.044 1
1 214 . 15 1 1 A 35 35 GLN HA H 35 3.999 3.893 0.106 1
1 219 . 15 1 1 A 35 35 GLN N N 35 129.593 122.067 7.526 1
1 221 . 15 1 1 A 36 36 CYS H H 36 8.492 8.406 0.086 1
1 222 . 15 1 1 A 36 36 CYS HA H 36 4.801 4.217 0.584 1
1 225 . 15 1 1 A 36 36 CYS N N 36 109.569 110.775 -1.206 1
1 226 . 15 1 1 A 37 37 LYS H H 37 8.024 7.176 0.848 1
1 227 . 15 1 1 A 37 37 LYS HA H 37 4.703 4.618 0.085 1
1 236 . 15 1 1 A 37 37 LYS N N 37 125.110 119.109 6.001 1
1 237 . 15 1 1 A 38 38 PHE H H 38 8.276 8.427 -0.151 1
1 238 . 15 1 1 A 38 38 PHE HA H 38 5.141 4.546 0.595 1
1 245 . 15 1 1 A 38 38 PHE N N 38 123.897 120.757 3.140 1
1 246 . 15 1 1 A 39 39 SER H H 39 9.044 9.266 -0.222 1
1 247 . 15 1 1 A 39 39 SER HA H 39 4.274 4.409 -0.135 1
1 250 . 15 1 1 A 39 39 SER N N 39 125.655 119.352 6.303 1
1 251 . 15 1 1 A 40 40 ARG H H 40 8.573 8.309 0.264 1
1 252 . 15 1 1 A 40 40 ARG HA H 40 4.101 4.417 -0.316 1
1 259 . 15 1 1 A 40 40 ARG N N 40 125.848 123.893 1.955 1
1 260 . 15 1 1 A 41 41 ALA H H 41 8.501 8.494 0.007 1
1 261 . 15 1 1 A 41 41 ALA HA H 41 3.724 4.487 -0.763 1
1 265 . 15 1 1 A 41 41 ALA N N 41 127.729 127.598 0.131 1
1 266 . 15 1 1 A 42 42 GLY H H 42 8.619 8.892 -0.273 1
1 267 . 15 1 1 A 42 42 GLY HA2 H 42 4.486 3.864 0.622 1
1 268 . 15 1 1 A 42 42 GLY HA3 H 42 3.587 3.870 -0.283 1
1 269 . 15 1 1 A 42 42 GLY N N 42 114.579 109.152 5.427 1
1 270 . 15 1 1 A 43 43 LYS H H 43 7.535 7.365 0.170 1
1 271 . 15 1 1 A 43 43 LYS HA H 43 4.149 4.590 -0.441 1
1 280 . 15 1 1 A 43 43 LYS N N 43 126.780 121.468 5.312 1
1 281 . 15 1 1 A 44 44 ILE H H 44 8.810 8.420 0.390 1
1 282 . 15 1 1 A 44 44 ILE HA H 44 4.167 4.608 -0.441 1
1 290 . 15 1 1 A 44 44 ILE N N 44 133.179 126.271 6.908 1
1 291 . 15 1 1 A 45 45 CYS H H 45 9.355 10.195 -0.840 1
1 292 . 15 1 1 A 45 45 CYS HA H 45 5.160 4.891 0.269 1
1 295 . 15 1 1 A 45 45 CYS N N 45 127.500 124.994 2.506 1
1 296 . 15 1 1 A 46 46 ARG H H 46 7.675 7.544 0.131 1
1 297 . 15 1 1 A 46 46 ARG HA H 46 4.469 4.637 -0.168 1
1 304 . 15 1 1 A 46 46 ARG N N 46 126.375 120.818 5.557 1
1 305 . 15 1 1 A 47 47 ILE H H 47 8.400 8.507 -0.107 1
1 306 . 15 1 1 A 47 47 ILE HA H 47 4.663 4.321 0.342 1
1 316 . 15 1 1 A 47 47 ILE N N 47 129.510 121.638 7.872 1
1 317 . 15 1 1 A 48 48 PRO HA H 48 4.491 4.326 0.165 1
1 324 . 15 1 1 A 49 49 ARG H H 49 8.331 8.217 0.114 1
1 325 . 15 1 1 A 49 49 ARG HA H 49 4.398 4.432 -0.034 1
1 332 . 15 1 1 A 49 49 ARG N N 49 122.965 117.378 5.587 1
1 333 . 15 1 1 A 50 50 GLY H H 50 8.426 8.188 0.238 1
1 334 . 15 1 1 A 50 50 GLY HA2 H 50 3.958 3.889 0.069 1
1 335 . 15 1 1 A 50 50 GLY HA3 H 50 3.915 3.889 0.026 1
1 336 . 15 1 1 A 50 50 GLY N N 50 114.157 107.498 6.659 1
1 337 . 15 1 1 A 51 51 GLU H H 51 8.753 8.611 0.142 1
1 338 . 15 1 1 A 51 51 GLU HA H 51 4.345 4.389 -0.044 1
1 343 . 15 1 1 A 51 51 GLU N N 51 125.370 125.954 -0.584 1
1 344 . 15 1 1 A 52 52 MET H H 52 7.745 7.292 0.453 1
1 345 . 15 1 1 A 52 52 MET HA H 52 4.839 5.017 -0.178 1
1 350 . 15 1 1 A 52 52 MET N N 52 125.080 119.123 5.957 1
1 351 . 15 1 1 A 53 53 PRO HA H 53 4.485 4.452 0.033 1
1 358 . 15 1 1 A 54 54 ASP H H 54 8.114 8.278 -0.164 1
1 359 . 15 1 1 A 54 54 ASP HA H 54 4.577 5.110 -0.533 1
1 362 . 15 1 1 A 54 54 ASP N N 54 122.385 122.581 -0.196 1
1 363 . 15 1 1 A 55 55 ASP H H 55 8.388 8.755 -0.367 1
1 364 . 15 1 1 A 55 55 ASP HA H 55 5.052 5.137 -0.085 1
1 367 . 15 1 1 A 55 55 ASP N N 55 124.758 122.108 2.650 1
1 368 . 15 1 1 A 56 56 ARG H H 56 8.358 8.837 -0.479 1
1 369 . 15 1 1 A 56 56 ARG HA H 56 5.332 5.123 0.209 1
1 376 . 15 1 1 A 56 56 ARG N N 56 123.703 123.813 -0.110 1
1 378 . 15 1 1 A 57 57 CYS H H 57 9.377 10.221 -0.844 1
1 379 . 15 1 1 A 57 57 CYS HA H 57 4.862 4.597 0.265 1
1 382 . 15 1 1 A 57 57 CYS N N 57 123.897 121.792 2.105 1
1 383 . 15 1 1 A 58 58 THR H H 58 10.180 8.574 1.606 1
1 384 . 15 1 1 A 58 58 THR HA H 58 4.442 4.499 -0.057 1
1 389 . 15 1 1 A 58 58 THR N N 58 117.445 116.004 1.441 1
1 390 . 15 1 1 A 59 59 GLY H H 59 8.546 7.852 0.694 1
1 391 . 15 1 1 A 59 59 GLY HA2 H 59 4.460 3.967 0.493 1
1 392 . 15 1 1 A 59 59 GLY HA3 H 59 4.460 3.985 0.475 1
1 393 . 15 1 1 A 59 59 GLY N N 59 115.880 110.536 5.344 1
1 394 . 15 1 1 A 60 60 GLN H H 60 7.986 8.214 -0.228 1
1 395 . 15 1 1 A 60 60 GLN HA H 60 4.298 4.161 0.137 1
1 398 . 15 1 1 A 60 60 GLN N N 60 119.027 118.734 0.293 1
1 400 . 15 1 1 A 61 61 SER H H 61 6.630 7.501 -0.871 1
1 401 . 15 1 1 A 61 61 SER HA H 61 3.880 4.459 -0.579 1
1 404 . 15 1 1 A 61 61 SER N N 61 114.913 115.826 -0.913 1
1 405 . 15 1 1 A 62 62 ALA H H 62 9.027 8.726 0.301 1
1 406 . 15 1 1 A 62 62 ALA HA H 62 4.435 4.579 -0.144 1
1 410 . 15 1 1 A 62 62 ALA N N 62 129.628 126.863 2.765 1
1 411 . 15 1 1 A 63 63 ASP H H 63 8.080 7.927 0.153 1
1 412 . 15 1 1 A 63 63 ASP HA H 63 4.895 4.782 0.113 1
1 415 . 15 1 1 A 63 63 ASP N N 63 121.506 115.936 5.570 1
1 416 . 15 1 1 A 64 64 CYS H H 64 8.924 8.614 0.310 1
1 417 . 15 1 1 A 64 64 CYS HA H 64 5.403 5.296 0.107 1
1 420 . 15 1 1 A 64 64 CYS N N 64 125.936 118.841 7.095 1
1 421 . 15 1 1 A 65 65 PRO HA H 65 4.375 4.655 -0.280 1
1 428 . 15 1 1 A 66 66 ARG H H 66 8.203 8.653 -0.450 1
1 429 . 15 1 1 A 66 66 ARG HA H 66 4.362 4.868 -0.506 1
1 436 . 15 1 1 A 66 66 ARG N N 66 123.580 121.479 2.101 1
1 437 . 15 1 1 A 67 67 TYR H H 67 8.650 8.844 -0.194 1
1 438 . 15 1 1 A 67 67 TYR HA H 67 4.459 4.307 0.152 1
1 445 . 15 1 1 A 67 67 TYR N N 67 128.872 124.498 4.374 1
1 5 . 16 1 1 A 2 2 LYS H H 2 8.331 8.960 -0.629 1
1 10 . 16 1 1 A 2 2 LYS N N 2 125.285 118.867 6.418 1
1 11 . 16 1 1 A 3 3 GLU H H 3 8.659 8.590 0.069 1
1 12 . 16 1 1 A 3 3 GLU HA H 3 4.322 4.647 -0.325 1
1 17 . 16 1 1 A 3 3 GLU N N 3 125.356 117.134 8.222 1
1 18 . 16 1 1 A 4 4 CYS H H 4 8.116 7.741 0.375 1
1 19 . 16 1 1 A 4 4 CYS HA H 4 4.975 5.303 -0.328 1
1 22 . 16 1 1 A 4 4 CYS N N 4 123.773 116.760 7.013 1
1 23 . 16 1 1 A 5 5 ASP H H 5 8.776 8.750 0.026 1
1 24 . 16 1 1 A 5 5 ASP HA H 5 4.817 4.455 0.362 1
1 27 . 16 1 1 A 5 5 ASP N N 5 123.756 124.744 -0.988 1
1 28 . 16 1 1 A 6 6 CYS H H 6 6.975 7.652 -0.677 1
1 29 . 16 1 1 A 6 6 CYS HA H 6 4.931 4.884 0.047 1
1 32 . 16 1 1 A 6 6 CYS N N 6 116.724 116.421 0.303 1
1 33 . 16 1 1 A 7 7 SER H H 7 9.659 8.632 1.027 1
1 34 . 16 1 1 A 7 7 SER HA H 7 4.226 4.830 -0.604 1
1 37 . 16 1 1 A 7 7 SER N N 7 123.545 117.194 6.351 1
1 38 . 16 1 1 A 8 8 SER H H 8 7.862 7.244 0.618 1
1 39 . 16 1 1 A 8 8 SER HA H 8 5.137 4.837 0.300 1
1 42 . 16 1 1 A 8 8 SER N N 8 119.712 116.092 3.620 1
1 43 . 16 1 1 A 9 9 PRO HA H 9 4.559 4.449 0.110 1
1 50 . 16 1 1 A 10 10 GLU H H 10 8.244 8.363 -0.119 1
1 51 . 16 1 1 A 10 10 GLU HA H 10 4.294 4.156 0.138 1
1 56 . 16 1 1 A 10 10 GLU N N 10 120.855 117.586 3.269 1
1 57 . 16 1 1 A 11 11 ASN H H 11 7.260 7.601 -0.341 1
1 58 . 16 1 1 A 11 11 ASN HA H 11 4.794 4.731 0.063 1
1 63 . 16 1 1 A 11 11 ASN N N 11 124.776 118.366 6.410 1
1 65 . 16 1 1 A 12 12 PRO HA H 12 4.704 4.506 0.198 1
1 72 . 16 1 1 A 13 13 CYS H H 13 8.931 9.082 -0.151 1
1 73 . 16 1 1 A 13 13 CYS HA H 13 4.648 4.679 -0.031 1
1 76 . 16 1 1 A 13 13 CYS N N 13 121.945 115.073 6.872 1
1 77 . 16 1 1 A 14 14 CYS H H 14 7.543 7.588 -0.045 1
1 78 . 16 1 1 A 14 14 CYS HA H 14 5.056 5.513 -0.457 1
1 81 . 16 1 1 A 14 14 CYS N N 14 116.460 116.306 0.154 1
1 82 . 16 1 1 A 15 15 ASP H H 15 8.212 8.664 -0.452 1
1 83 . 16 1 1 A 15 15 ASP HA H 15 4.570 4.569 0.001 1
1 86 . 16 1 1 A 15 15 ASP N N 15 125.197 125.699 -0.502 1
1 87 . 16 1 1 A 16 16 ALA H H 16 8.996 9.001 -0.005 1
1 88 . 16 1 1 A 16 16 ALA HA H 16 4.148 4.041 0.107 1
1 92 . 16 1 1 A 16 16 ALA N N 16 135.341 129.431 5.910 1
1 93 . 16 1 1 A 17 17 ALA H H 17 8.669 7.697 0.972 1
1 94 . 16 1 1 A 17 17 ALA HA H 17 4.361 4.089 0.272 1
1 98 . 16 1 1 A 17 17 ALA N N 17 121.910 118.901 3.009 1
1 99 . 16 1 1 A 18 18 THR H H 18 7.743 7.631 0.112 1
1 100 . 16 1 1 A 18 18 THR HA H 18 4.445 4.494 -0.049 1
1 105 . 16 1 1 A 18 18 THR N N 18 109.481 105.722 3.759 1
1 106 . 16 1 1 A 19 19 CYS H H 19 8.601 8.512 0.089 1
1 107 . 16 1 1 A 19 19 CYS HA H 19 4.642 4.182 0.460 1
1 110 . 16 1 1 A 19 19 CYS N N 19 123.176 119.087 4.089 1
1 111 . 16 1 1 A 20 20 LYS H H 20 7.964 7.622 0.342 1
1 112 . 16 1 1 A 20 20 LYS HA H 20 4.945 4.874 0.071 1
1 117 . 16 1 1 A 20 20 LYS N N 20 122.525 119.952 2.573 1
1 118 . 16 1 1 A 21 21 LEU H H 21 9.211 8.800 0.411 1
1 119 . 16 1 1 A 21 21 LEU HA H 21 4.285 4.706 -0.421 1
1 129 . 16 1 1 A 21 21 LEU N N 21 124.582 121.583 2.999 1
1 130 . 16 1 1 A 22 22 ARG H H 22 8.490 8.498 -0.008 1
1 131 . 16 1 1 A 22 22 ARG HA H 22 4.448 4.256 0.192 1
1 137 . 16 1 1 A 22 22 ARG N N 22 126.604 125.485 1.119 1
1 139 . 16 1 1 A 23 23 PRO HA H 23 4.389 4.507 -0.118 1
1 144 . 16 1 1 A 24 24 GLY H H 24 8.830 8.314 0.516 1
1 145 . 16 1 1 A 24 24 GLY HA2 H 24 4.295 3.887 0.408 1
1 146 . 16 1 1 A 24 24 GLY HA3 H 24 3.664 3.889 -0.225 1
1 147 . 16 1 1 A 24 24 GLY N N 24 117.708 106.602 11.106 1
1 148 . 16 1 1 A 25 25 ALA H H 25 7.942 7.919 0.023 1
1 149 . 16 1 1 A 25 25 ALA HA H 25 4.540 4.199 0.341 1
1 153 . 16 1 1 A 25 25 ALA N N 25 127.553 122.809 4.744 1
1 154 . 16 1 1 A 26 26 GLN H H 26 8.827 8.641 0.186 1
1 155 . 16 1 1 A 26 26 GLN HA H 26 4.113 3.992 0.121 1
1 162 . 16 1 1 A 26 26 GLN N N 26 122.086 120.002 2.084 1
1 164 . 16 1 1 A 27 27 CYS H H 27 7.805 7.217 0.588 1
1 165 . 16 1 1 A 27 27 CYS HA H 27 4.555 4.736 -0.181 1
1 168 . 16 1 1 A 27 27 CYS N N 27 117.409 115.210 2.199 1
1 169 . 16 1 1 A 28 28 GLY H H 28 9.163 8.649 0.514 1
1 170 . 16 1 1 A 28 28 GLY HA2 H 28 4.446 3.880 0.566 1
1 171 . 16 1 1 A 28 28 GLY HA3 H 28 3.574 3.897 -0.323 1
1 172 . 16 1 1 A 28 28 GLY N N 28 109.041 114.176 -5.135 1
1 173 . 16 1 1 A 29 29 GLU H H 29 7.844 7.445 0.399 1
1 174 . 16 1 1 A 29 29 GLU HA H 29 4.782 4.784 -0.002 1
1 179 . 16 1 1 A 29 29 GLU N N 29 122.174 115.475 6.699 1
1 180 . 16 1 1 A 30 30 GLY H H 30 8.391 8.419 -0.028 1
1 181 . 16 1 1 A 30 30 GLY HA2 H 30 4.915 4.261 0.654 1
1 182 . 16 1 1 A 30 30 GLY HA3 H 30 3.925 4.284 -0.359 1
1 183 . 16 1 1 A 30 30 GLY N N 30 112.663 107.360 5.303 1
1 184 . 16 1 1 A 31 31 LEU H H 31 8.960 8.806 0.154 1
1 185 . 16 1 1 A 31 31 LEU HA H 31 4.354 3.961 0.393 1
1 195 . 16 1 1 A 31 31 LEU N N 31 125.039 120.858 4.181 1
1 196 . 16 1 1 A 32 32 CYS H H 32 8.467 8.561 -0.094 1
1 197 . 16 1 1 A 32 32 CYS HA H 32 5.108 4.730 0.378 1
1 200 . 16 1 1 A 32 32 CYS N N 32 119.167 114.846 4.321 1
1 201 . 16 1 1 A 33 33 CYS H H 33 7.365 7.416 -0.051 1
1 202 . 16 1 1 A 33 33 CYS HA H 33 5.291 5.734 -0.443 1
1 205 . 16 1 1 A 33 33 CYS N N 33 125.303 120.113 5.190 1
1 206 . 16 1 1 A 34 34 GLU H H 34 9.742 8.811 0.931 1
1 207 . 16 1 1 A 34 34 GLU HA H 34 4.682 4.761 -0.079 1
1 212 . 16 1 1 A 34 34 GLU N N 34 132.652 125.586 7.066 1
1 213 . 16 1 1 A 35 35 GLN H H 35 9.453 9.500 -0.047 1
1 214 . 16 1 1 A 35 35 GLN HA H 35 3.999 3.904 0.095 1
1 219 . 16 1 1 A 35 35 GLN N N 35 129.593 126.818 2.775 1
1 221 . 16 1 1 A 36 36 CYS H H 36 8.492 8.407 0.085 1
1 222 . 16 1 1 A 36 36 CYS HA H 36 4.801 4.598 0.203 1
1 225 . 16 1 1 A 36 36 CYS N N 36 109.569 109.134 0.435 1
1 226 . 16 1 1 A 37 37 LYS H H 37 8.024 7.586 0.438 1
1 227 . 16 1 1 A 37 37 LYS HA H 37 4.703 4.556 0.147 1
1 236 . 16 1 1 A 37 37 LYS N N 37 125.110 118.951 6.159 1
1 237 . 16 1 1 A 38 38 PHE H H 38 8.276 8.378 -0.102 1
1 238 . 16 1 1 A 38 38 PHE HA H 38 5.141 4.571 0.570 1
1 245 . 16 1 1 A 38 38 PHE N N 38 123.897 121.463 2.434 1
1 246 . 16 1 1 A 39 39 SER H H 39 9.044 8.762 0.282 1
1 247 . 16 1 1 A 39 39 SER HA H 39 4.274 4.477 -0.203 1
1 250 . 16 1 1 A 39 39 SER N N 39 125.655 120.161 5.494 1
1 251 . 16 1 1 A 40 40 ARG H H 40 8.573 8.320 0.253 1
1 252 . 16 1 1 A 40 40 ARG HA H 40 4.101 4.652 -0.551 1
1 259 . 16 1 1 A 40 40 ARG N N 40 125.848 121.148 4.700 1
1 260 . 16 1 1 A 41 41 ALA H H 41 8.501 8.516 -0.015 1
1 261 . 16 1 1 A 41 41 ALA HA H 41 3.724 4.473 -0.749 1
1 265 . 16 1 1 A 41 41 ALA N N 41 127.729 123.798 3.931 1
1 266 . 16 1 1 A 42 42 GLY H H 42 8.619 8.610 0.009 1
1 267 . 16 1 1 A 42 42 GLY HA2 H 42 4.486 3.859 0.627 1
1 268 . 16 1 1 A 42 42 GLY HA3 H 42 3.587 3.861 -0.274 1
1 269 . 16 1 1 A 42 42 GLY N N 42 114.579 109.231 5.348 1
1 270 . 16 1 1 A 43 43 LYS H H 43 7.535 7.360 0.175 1
1 271 . 16 1 1 A 43 43 LYS HA H 43 4.149 4.625 -0.476 1
1 280 . 16 1 1 A 43 43 LYS N N 43 126.780 121.180 5.600 1
1 281 . 16 1 1 A 44 44 ILE H H 44 8.810 8.947 -0.137 1
1 282 . 16 1 1 A 44 44 ILE HA H 44 4.167 4.499 -0.332 1
1 290 . 16 1 1 A 44 44 ILE N N 44 133.179 126.992 6.187 1
1 291 . 16 1 1 A 45 45 CYS H H 45 9.355 9.457 -0.102 1
1 292 . 16 1 1 A 45 45 CYS HA H 45 5.160 4.933 0.227 1
1 295 . 16 1 1 A 45 45 CYS N N 45 127.500 122.274 5.226 1
1 296 . 16 1 1 A 46 46 ARG H H 46 7.675 7.818 -0.143 1
1 297 . 16 1 1 A 46 46 ARG HA H 46 4.469 4.667 -0.198 1
1 304 . 16 1 1 A 46 46 ARG N N 46 126.375 119.598 6.777 1
1 305 . 16 1 1 A 47 47 ILE H H 47 8.400 8.233 0.167 1
1 306 . 16 1 1 A 47 47 ILE HA H 47 4.663 4.650 0.013 1
1 316 . 16 1 1 A 47 47 ILE N N 47 129.510 120.133 9.377 1
1 317 . 16 1 1 A 48 48 PRO HA H 48 4.491 4.567 -0.076 1
1 324 . 16 1 1 A 49 49 ARG H H 49 8.331 8.100 0.231 1
1 325 . 16 1 1 A 49 49 ARG HA H 49 4.398 4.830 -0.432 1
1 332 . 16 1 1 A 49 49 ARG N N 49 122.965 113.308 9.657 1
1 333 . 16 1 1 A 50 50 GLY H H 50 8.426 8.373 0.053 1
1 334 . 16 1 1 A 50 50 GLY HA2 H 50 3.958 4.173 -0.215 1
1 335 . 16 1 1 A 50 50 GLY HA3 H 50 3.915 4.175 -0.260 1
1 336 . 16 1 1 A 50 50 GLY N N 50 114.157 107.134 7.023 1
1 337 . 16 1 1 A 51 51 GLU H H 51 8.753 8.524 0.229 1
1 338 . 16 1 1 A 51 51 GLU HA H 51 4.345 4.404 -0.059 1
1 343 . 16 1 1 A 51 51 GLU N N 51 125.370 121.972 3.398 1
1 344 . 16 1 1 A 52 52 MET H H 52 7.745 7.578 0.167 1
1 345 . 16 1 1 A 52 52 MET HA H 52 4.839 4.924 -0.085 1
1 350 . 16 1 1 A 52 52 MET N N 52 125.080 120.546 4.534 1
1 351 . 16 1 1 A 53 53 PRO HA H 53 4.485 4.563 -0.078 1
1 358 . 16 1 1 A 54 54 ASP H H 54 8.114 8.295 -0.181 1
1 359 . 16 1 1 A 54 54 ASP HA H 54 4.577 4.963 -0.386 1
1 362 . 16 1 1 A 54 54 ASP N N 54 122.385 122.289 0.096 1
1 363 . 16 1 1 A 55 55 ASP H H 55 8.388 8.892 -0.504 1
1 364 . 16 1 1 A 55 55 ASP HA H 55 5.052 5.378 -0.326 1
1 367 . 16 1 1 A 55 55 ASP N N 55 124.758 123.309 1.449 1
1 368 . 16 1 1 A 56 56 ARG H H 56 8.358 8.982 -0.624 1
1 369 . 16 1 1 A 56 56 ARG HA H 56 5.332 5.226 0.106 1
1 376 . 16 1 1 A 56 56 ARG N N 56 123.703 125.407 -1.704 1
1 378 . 16 1 1 A 57 57 CYS H H 57 9.377 9.865 -0.488 1
1 379 . 16 1 1 A 57 57 CYS HA H 57 4.862 4.603 0.259 1
1 382 . 16 1 1 A 57 57 CYS N N 57 123.897 122.695 1.202 1
1 383 . 16 1 1 A 58 58 THR H H 58 10.180 8.626 1.554 1
1 384 . 16 1 1 A 58 58 THR HA H 58 4.442 4.583 -0.141 1
1 389 . 16 1 1 A 58 58 THR N N 58 117.445 114.865 2.580 1
1 390 . 16 1 1 A 59 59 GLY H H 59 8.546 7.782 0.764 1
1 391 . 16 1 1 A 59 59 GLY HA2 H 59 4.460 3.995 0.465 1
1 392 . 16 1 1 A 59 59 GLY HA3 H 59 4.460 4.010 0.450 1
1 393 . 16 1 1 A 59 59 GLY N N 59 115.880 110.702 5.178 1
1 394 . 16 1 1 A 60 60 GLN H H 60 7.986 8.045 -0.059 1
1 395 . 16 1 1 A 60 60 GLN HA H 60 4.298 4.181 0.117 1
1 398 . 16 1 1 A 60 60 GLN N N 60 119.027 119.540 -0.513 1
1 400 . 16 1 1 A 61 61 SER H H 61 6.630 7.651 -1.021 1
1 401 . 16 1 1 A 61 61 SER HA H 61 3.880 4.291 -0.411 1
1 404 . 16 1 1 A 61 61 SER N N 61 114.913 115.804 -0.891 1
1 405 . 16 1 1 A 62 62 ALA H H 62 9.027 8.673 0.354 1
1 406 . 16 1 1 A 62 62 ALA HA H 62 4.435 4.521 -0.086 1
1 410 . 16 1 1 A 62 62 ALA N N 62 129.628 128.824 0.804 1
1 411 . 16 1 1 A 63 63 ASP H H 63 8.080 7.807 0.273 1
1 412 . 16 1 1 A 63 63 ASP HA H 63 4.895 4.968 -0.073 1
1 415 . 16 1 1 A 63 63 ASP N N 63 121.506 116.350 5.156 1
1 416 . 16 1 1 A 64 64 CYS H H 64 8.924 8.721 0.203 1
1 417 . 16 1 1 A 64 64 CYS HA H 64 5.403 5.185 0.218 1
1 420 . 16 1 1 A 64 64 CYS N N 64 125.936 119.173 6.763 1
1 421 . 16 1 1 A 65 65 PRO HA H 65 4.375 4.611 -0.236 1
1 428 . 16 1 1 A 66 66 ARG H H 66 8.203 8.440 -0.237 1
1 429 . 16 1 1 A 66 66 ARG HA H 66 4.362 4.666 -0.304 1
1 436 . 16 1 1 A 66 66 ARG N N 66 123.580 120.460 3.120 1
1 437 . 16 1 1 A 67 67 TYR H H 67 8.650 8.387 0.263 1
1 438 . 16 1 1 A 67 67 TYR HA H 67 4.459 4.369 0.090 1
1 445 . 16 1 1 A 67 67 TYR N N 67 128.872 122.588 6.284 1
1 5 . 17 1 1 A 2 2 LYS H H 2 8.331 8.431 -0.100 1
1 10 . 17 1 1 A 2 2 LYS N N 2 125.285 123.175 2.110 1
1 11 . 17 1 1 A 3 3 GLU H H 3 8.659 8.038 0.621 1
1 12 . 17 1 1 A 3 3 GLU HA H 3 4.322 4.488 -0.166 1
1 17 . 17 1 1 A 3 3 GLU N N 3 125.356 113.655 11.701 1
1 18 . 17 1 1 A 4 4 CYS H H 4 8.116 7.668 0.448 1
1 19 . 17 1 1 A 4 4 CYS HA H 4 4.975 5.385 -0.410 1
1 22 . 17 1 1 A 4 4 CYS N N 4 123.773 119.674 4.099 1
1 23 . 17 1 1 A 5 5 ASP H H 5 8.776 9.471 -0.695 1
1 24 . 17 1 1 A 5 5 ASP HA H 5 4.817 4.607 0.210 1
1 27 . 17 1 1 A 5 5 ASP N N 5 123.756 126.263 -2.507 1
1 28 . 17 1 1 A 6 6 CYS H H 6 6.975 7.334 -0.359 1
1 29 . 17 1 1 A 6 6 CYS HA H 6 4.931 4.922 0.009 1
1 32 . 17 1 1 A 6 6 CYS N N 6 116.724 114.577 2.147 1
1 33 . 17 1 1 A 7 7 SER H H 7 9.659 8.956 0.703 1
1 34 . 17 1 1 A 7 7 SER HA H 7 4.226 4.498 -0.272 1
1 37 . 17 1 1 A 7 7 SER N N 7 123.545 116.569 6.976 1
1 38 . 17 1 1 A 8 8 SER H H 8 7.862 7.740 0.122 1
1 39 . 17 1 1 A 8 8 SER HA H 8 5.137 4.681 0.456 1
1 42 . 17 1 1 A 8 8 SER N N 8 119.712 116.142 3.570 1
1 43 . 17 1 1 A 9 9 PRO HA H 9 4.559 4.570 -0.011 1
1 50 . 17 1 1 A 10 10 GLU H H 10 8.244 8.049 0.195 1
1 51 . 17 1 1 A 10 10 GLU HA H 10 4.294 4.540 -0.246 1
1 56 . 17 1 1 A 10 10 GLU N N 10 120.855 116.670 4.185 1
1 57 . 17 1 1 A 11 11 ASN H H 11 7.260 7.487 -0.227 1
1 58 . 17 1 1 A 11 11 ASN HA H 11 4.794 4.925 -0.131 1
1 63 . 17 1 1 A 11 11 ASN N N 11 124.776 121.890 2.886 1
1 65 . 17 1 1 A 12 12 PRO HA H 12 4.704 4.478 0.226 1
1 72 . 17 1 1 A 13 13 CYS H H 13 8.931 8.145 0.786 1
1 73 . 17 1 1 A 13 13 CYS HA H 13 4.648 4.408 0.240 1
1 76 . 17 1 1 A 13 13 CYS N N 13 121.945 114.483 7.462 1
1 77 . 17 1 1 A 14 14 CYS H H 14 7.543 7.639 -0.096 1
1 78 . 17 1 1 A 14 14 CYS HA H 14 5.056 5.347 -0.291 1
1 81 . 17 1 1 A 14 14 CYS N N 14 116.460 116.562 -0.102 1
1 82 . 17 1 1 A 15 15 ASP H H 15 8.212 8.921 -0.709 1
1 83 . 17 1 1 A 15 15 ASP HA H 15 4.570 4.408 0.162 1
1 86 . 17 1 1 A 15 15 ASP N N 15 125.197 125.856 -0.659 1
1 87 . 17 1 1 A 16 16 ALA H H 16 8.996 8.951 0.045 1
1 88 . 17 1 1 A 16 16 ALA HA H 16 4.148 4.045 0.103 1
1 92 . 17 1 1 A 16 16 ALA N N 16 135.341 128.749 6.592 1
1 93 . 17 1 1 A 17 17 ALA H H 17 8.669 7.991 0.678 1
1 94 . 17 1 1 A 17 17 ALA HA H 17 4.361 4.059 0.302 1
1 98 . 17 1 1 A 17 17 ALA N N 17 121.910 119.759 2.151 1
1 99 . 17 1 1 A 18 18 THR H H 18 7.743 7.619 0.124 1
1 100 . 17 1 1 A 18 18 THR HA H 18 4.445 4.349 0.096 1
1 105 . 17 1 1 A 18 18 THR N N 18 109.481 106.230 3.251 1
1 106 . 17 1 1 A 19 19 CYS H H 19 8.601 8.364 0.237 1
1 107 . 17 1 1 A 19 19 CYS HA H 19 4.642 4.391 0.251 1
1 110 . 17 1 1 A 19 19 CYS N N 19 123.176 119.758 3.418 1
1 111 . 17 1 1 A 20 20 LYS H H 20 7.964 7.546 0.418 1
1 112 . 17 1 1 A 20 20 LYS HA H 20 4.945 4.811 0.134 1
1 117 . 17 1 1 A 20 20 LYS N N 20 122.525 119.897 2.628 1
1 118 . 17 1 1 A 21 21 LEU H H 21 9.211 8.764 0.447 1
1 119 . 17 1 1 A 21 21 LEU HA H 21 4.285 4.543 -0.258 1
1 129 . 17 1 1 A 21 21 LEU N N 21 124.582 122.012 2.570 1
1 130 . 17 1 1 A 22 22 ARG H H 22 8.490 8.503 -0.013 1
1 131 . 17 1 1 A 22 22 ARG HA H 22 4.448 4.397 0.051 1
1 137 . 17 1 1 A 22 22 ARG N N 22 126.604 123.931 2.673 1
1 139 . 17 1 1 A 23 23 PRO HA H 23 4.389 4.489 -0.100 1
1 144 . 17 1 1 A 24 24 GLY H H 24 8.830 8.378 0.452 1
1 145 . 17 1 1 A 24 24 GLY HA2 H 24 4.295 3.826 0.469 1
1 146 . 17 1 1 A 24 24 GLY HA3 H 24 3.664 3.830 -0.166 1
1 147 . 17 1 1 A 24 24 GLY N N 24 117.708 106.984 10.724 1
1 148 . 17 1 1 A 25 25 ALA H H 25 7.942 7.939 0.003 1
1 149 . 17 1 1 A 25 25 ALA HA H 25 4.540 4.409 0.131 1
1 153 . 17 1 1 A 25 25 ALA N N 25 127.553 123.394 4.159 1
1 154 . 17 1 1 A 26 26 GLN H H 26 8.827 8.720 0.107 1
1 155 . 17 1 1 A 26 26 GLN HA H 26 4.113 3.961 0.152 1
1 162 . 17 1 1 A 26 26 GLN N N 26 122.086 122.284 -0.198 1
1 164 . 17 1 1 A 27 27 CYS H H 27 7.805 7.785 0.020 1
1 165 . 17 1 1 A 27 27 CYS HA H 27 4.555 4.715 -0.160 1
1 168 . 17 1 1 A 27 27 CYS N N 27 117.409 115.349 2.060 1
1 169 . 17 1 1 A 28 28 GLY H H 28 9.163 8.715 0.448 1
1 170 . 17 1 1 A 28 28 GLY HA2 H 28 4.446 3.867 0.579 1
1 171 . 17 1 1 A 28 28 GLY HA3 H 28 3.574 3.884 -0.310 1
1 172 . 17 1 1 A 28 28 GLY N N 28 109.041 114.421 -5.380 1
1 173 . 17 1 1 A 29 29 GLU H H 29 7.844 7.700 0.144 1
1 174 . 17 1 1 A 29 29 GLU HA H 29 4.782 4.768 0.014 1
1 179 . 17 1 1 A 29 29 GLU N N 29 122.174 118.207 3.967 1
1 180 . 17 1 1 A 30 30 GLY H H 30 8.391 8.437 -0.046 1
1 181 . 17 1 1 A 30 30 GLY HA2 H 30 4.915 4.298 0.617 1
1 182 . 17 1 1 A 30 30 GLY HA3 H 30 3.925 4.321 -0.396 1
1 183 . 17 1 1 A 30 30 GLY N N 30 112.663 111.255 1.408 1
1 184 . 17 1 1 A 31 31 LEU H H 31 8.960 8.749 0.211 1
1 185 . 17 1 1 A 31 31 LEU HA H 31 4.354 3.997 0.357 1
1 195 . 17 1 1 A 31 31 LEU N N 31 125.039 119.752 5.287 1
1 196 . 17 1 1 A 32 32 CYS H H 32 8.467 8.522 -0.055 1
1 197 . 17 1 1 A 32 32 CYS HA H 32 5.108 4.720 0.388 1
1 200 . 17 1 1 A 32 32 CYS N N 32 119.167 113.962 5.205 1
1 201 . 17 1 1 A 33 33 CYS H H 33 7.365 7.707 -0.342 1
1 202 . 17 1 1 A 33 33 CYS HA H 33 5.291 5.648 -0.357 1
1 205 . 17 1 1 A 33 33 CYS N N 33 125.303 119.738 5.565 1
1 206 . 17 1 1 A 34 34 GLU H H 34 9.742 8.542 1.200 1
1 207 . 17 1 1 A 34 34 GLU HA H 34 4.682 4.597 0.085 1
1 212 . 17 1 1 A 34 34 GLU N N 34 132.652 126.457 6.195 1
1 213 . 17 1 1 A 35 35 GLN H H 35 9.453 8.961 0.492 1
1 214 . 17 1 1 A 35 35 GLN HA H 35 3.999 3.961 0.038 1
1 219 . 17 1 1 A 35 35 GLN N N 35 129.593 125.091 4.502 1
1 221 . 17 1 1 A 36 36 CYS H H 36 8.492 8.407 0.085 1
1 222 . 17 1 1 A 36 36 CYS HA H 36 4.801 4.343 0.458 1
1 225 . 17 1 1 A 36 36 CYS N N 36 109.569 111.665 -2.096 1
1 226 . 17 1 1 A 37 37 LYS H H 37 8.024 7.699 0.325 1
1 227 . 17 1 1 A 37 37 LYS HA H 37 4.703 4.595 0.108 1
1 236 . 17 1 1 A 37 37 LYS N N 37 125.110 119.715 5.395 1
1 237 . 17 1 1 A 38 38 PHE H H 38 8.276 8.372 -0.096 1
1 238 . 17 1 1 A 38 38 PHE HA H 38 5.141 4.564 0.577 1
1 245 . 17 1 1 A 38 38 PHE N N 38 123.897 120.326 3.571 1
1 246 . 17 1 1 A 39 39 SER H H 39 9.044 8.727 0.317 1
1 247 . 17 1 1 A 39 39 SER HA H 39 4.274 4.509 -0.235 1
1 250 . 17 1 1 A 39 39 SER N N 39 125.655 120.011 5.644 1
1 251 . 17 1 1 A 40 40 ARG H H 40 8.573 8.495 0.078 1
1 252 . 17 1 1 A 40 40 ARG HA H 40 4.101 4.815 -0.714 1
1 259 . 17 1 1 A 40 40 ARG N N 40 125.848 121.055 4.793 1
1 260 . 17 1 1 A 41 41 ALA H H 41 8.501 8.551 -0.050 1
1 261 . 17 1 1 A 41 41 ALA HA H 41 3.724 4.462 -0.738 1
1 265 . 17 1 1 A 41 41 ALA N N 41 127.729 125.995 1.734 1
1 266 . 17 1 1 A 42 42 GLY H H 42 8.619 8.657 -0.038 1
1 267 . 17 1 1 A 42 42 GLY HA2 H 42 4.486 3.868 0.618 1
1 268 . 17 1 1 A 42 42 GLY HA3 H 42 3.587 3.871 -0.284 1
1 269 . 17 1 1 A 42 42 GLY N N 42 114.579 109.364 5.215 1
1 270 . 17 1 1 A 43 43 LYS H H 43 7.535 7.436 0.099 1
1 271 . 17 1 1 A 43 43 LYS HA H 43 4.149 4.563 -0.414 1
1 280 . 17 1 1 A 43 43 LYS N N 43 126.780 121.399 5.381 1
1 281 . 17 1 1 A 44 44 ILE H H 44 8.810 8.938 -0.128 1
1 282 . 17 1 1 A 44 44 ILE HA H 44 4.167 4.389 -0.222 1
1 290 . 17 1 1 A 44 44 ILE N N 44 133.179 127.159 6.020 1
1 291 . 17 1 1 A 45 45 CYS H H 45 9.355 9.105 0.250 1
1 292 . 17 1 1 A 45 45 CYS HA H 45 5.160 4.879 0.281 1
1 295 . 17 1 1 A 45 45 CYS N N 45 127.500 122.593 4.907 1
1 296 . 17 1 1 A 46 46 ARG H H 46 7.675 7.656 0.019 1
1 297 . 17 1 1 A 46 46 ARG HA H 46 4.469 4.791 -0.322 1
1 304 . 17 1 1 A 46 46 ARG N N 46 126.375 119.977 6.398 1
1 305 . 17 1 1 A 47 47 ILE H H 47 8.400 8.764 -0.364 1
1 306 . 17 1 1 A 47 47 ILE HA H 47 4.663 4.918 -0.255 1
1 316 . 17 1 1 A 47 47 ILE N N 47 129.510 122.258 7.252 1
1 317 . 17 1 1 A 48 48 PRO HA H 48 4.491 4.925 -0.434 1
1 324 . 17 1 1 A 49 49 ARG H H 49 8.331 8.690 -0.359 1
1 325 . 17 1 1 A 49 49 ARG HA H 49 4.398 4.722 -0.324 1
1 332 . 17 1 1 A 49 49 ARG N N 49 122.965 123.930 -0.965 1
1 333 . 17 1 1 A 50 50 GLY H H 50 8.426 8.358 0.068 1
1 334 . 17 1 1 A 50 50 GLY HA2 H 50 3.958 4.013 -0.055 1
1 335 . 17 1 1 A 50 50 GLY HA3 H 50 3.915 4.016 -0.101 1
1 336 . 17 1 1 A 50 50 GLY N N 50 114.157 113.520 0.637 1
1 337 . 17 1 1 A 51 51 GLU H H 51 8.753 8.353 0.400 1
1 338 . 17 1 1 A 51 51 GLU HA H 51 4.345 4.607 -0.262 1
1 343 . 17 1 1 A 51 51 GLU N N 51 125.370 121.135 4.235 1
1 344 . 17 1 1 A 52 52 MET H H 52 7.745 8.200 -0.455 1
1 345 . 17 1 1 A 52 52 MET HA H 52 4.839 5.041 -0.202 1
1 350 . 17 1 1 A 52 52 MET N N 52 125.080 122.518 2.562 1
1 351 . 17 1 1 A 53 53 PRO HA H 53 4.485 4.529 -0.044 1
1 358 . 17 1 1 A 54 54 ASP H H 54 8.114 8.398 -0.284 1
1 359 . 17 1 1 A 54 54 ASP HA H 54 4.577 4.815 -0.238 1
1 362 . 17 1 1 A 54 54 ASP N N 54 122.385 121.264 1.121 1
1 363 . 17 1 1 A 55 55 ASP H H 55 8.388 8.749 -0.361 1
1 364 . 17 1 1 A 55 55 ASP HA H 55 5.052 5.375 -0.323 1
1 367 . 17 1 1 A 55 55 ASP N N 55 124.758 118.464 6.294 1
1 368 . 17 1 1 A 56 56 ARG H H 56 8.358 8.955 -0.597 1
1 369 . 17 1 1 A 56 56 ARG HA H 56 5.332 5.472 -0.140 1
1 376 . 17 1 1 A 56 56 ARG N N 56 123.703 121.839 1.864 1
1 378 . 17 1 1 A 57 57 CYS H H 57 9.377 9.166 0.211 1
1 379 . 17 1 1 A 57 57 CYS HA H 57 4.862 4.564 0.298 1
1 382 . 17 1 1 A 57 57 CYS N N 57 123.897 122.854 1.043 1
1 383 . 17 1 1 A 58 58 THR H H 58 10.180 8.548 1.632 1
1 384 . 17 1 1 A 58 58 THR HA H 58 4.442 4.694 -0.252 1
1 389 . 17 1 1 A 58 58 THR N N 58 117.445 114.588 2.857 1
1 390 . 17 1 1 A 59 59 GLY H H 59 8.546 7.907 0.639 1
1 391 . 17 1 1 A 59 59 GLY HA2 H 59 4.460 3.997 0.463 1
1 392 . 17 1 1 A 59 59 GLY HA3 H 59 4.460 4.012 0.448 1
1 393 . 17 1 1 A 59 59 GLY N N 59 115.880 111.220 4.660 1
1 394 . 17 1 1 A 60 60 GLN H H 60 7.986 8.282 -0.296 1
1 395 . 17 1 1 A 60 60 GLN HA H 60 4.298 4.178 0.120 1
1 398 . 17 1 1 A 60 60 GLN N N 60 119.027 119.404 -0.377 1
1 400 . 17 1 1 A 61 61 SER H H 61 6.630 7.610 -0.980 1
1 401 . 17 1 1 A 61 61 SER HA H 61 3.880 4.407 -0.527 1
1 404 . 17 1 1 A 61 61 SER N N 61 114.913 117.208 -2.295 1
1 405 . 17 1 1 A 62 62 ALA H H 62 9.027 8.271 0.756 1
1 406 . 17 1 1 A 62 62 ALA HA H 62 4.435 4.105 0.330 1
1 410 . 17 1 1 A 62 62 ALA N N 62 129.628 129.651 -0.023 1
1 411 . 17 1 1 A 63 63 ASP H H 63 8.080 7.990 0.090 1
1 412 . 17 1 1 A 63 63 ASP HA H 63 4.895 4.854 0.041 1
1 415 . 17 1 1 A 63 63 ASP N N 63 121.506 116.307 5.199 1
1 416 . 17 1 1 A 64 64 CYS H H 64 8.924 8.620 0.304 1
1 417 . 17 1 1 A 64 64 CYS HA H 64 5.403 5.085 0.318 1
1 420 . 17 1 1 A 64 64 CYS N N 64 125.936 119.004 6.932 1
1 421 . 17 1 1 A 65 65 PRO HA H 65 4.375 4.561 -0.186 1
1 428 . 17 1 1 A 66 66 ARG H H 66 8.203 8.284 -0.081 1
1 429 . 17 1 1 A 66 66 ARG HA H 66 4.362 4.206 0.156 1
1 436 . 17 1 1 A 66 66 ARG N N 66 123.580 118.172 5.408 1
1 437 . 17 1 1 A 67 67 TYR H H 67 8.650 7.808 0.842 1
1 438 . 17 1 1 A 67 67 TYR HA H 67 4.459 4.679 -0.220 1
1 445 . 17 1 1 A 67 67 TYR N N 67 128.872 120.233 8.639 1
1 5 . 18 1 1 A 2 2 LYS H H 2 8.331 8.630 -0.299 1
1 10 . 18 1 1 A 2 2 LYS N N 2 125.285 119.851 5.434 1
1 11 . 18 1 1 A 3 3 GLU H H 3 8.659 7.756 0.903 1
1 12 . 18 1 1 A 3 3 GLU HA H 3 4.322 4.514 -0.192 1
1 17 . 18 1 1 A 3 3 GLU N N 3 125.356 112.923 12.433 1
1 18 . 18 1 1 A 4 4 CYS H H 4 8.116 7.912 0.204 1
1 19 . 18 1 1 A 4 4 CYS HA H 4 4.975 5.430 -0.455 1
1 22 . 18 1 1 A 4 4 CYS N N 4 123.773 117.493 6.280 1
1 23 . 18 1 1 A 5 5 ASP H H 5 8.776 8.724 0.052 1
1 24 . 18 1 1 A 5 5 ASP HA H 5 4.817 4.875 -0.058 1
1 27 . 18 1 1 A 5 5 ASP N N 5 123.756 125.743 -1.987 1
1 28 . 18 1 1 A 6 6 CYS H H 6 6.975 7.265 -0.290 1
1 29 . 18 1 1 A 6 6 CYS HA H 6 4.931 4.980 -0.049 1
1 32 . 18 1 1 A 6 6 CYS N N 6 116.724 115.299 1.425 1
1 33 . 18 1 1 A 7 7 SER H H 7 9.659 8.642 1.017 1
1 34 . 18 1 1 A 7 7 SER HA H 7 4.226 4.843 -0.617 1
1 37 . 18 1 1 A 7 7 SER N N 7 123.545 117.434 6.111 1
1 38 . 18 1 1 A 8 8 SER H H 8 7.862 7.723 0.139 1
1 39 . 18 1 1 A 8 8 SER HA H 8 5.137 4.865 0.272 1
1 42 . 18 1 1 A 8 8 SER N N 8 119.712 116.962 2.750 1
1 43 . 18 1 1 A 9 9 PRO HA H 9 4.559 4.529 0.030 1
1 50 . 18 1 1 A 10 10 GLU H H 10 8.244 8.568 -0.324 1
1 51 . 18 1 1 A 10 10 GLU HA H 10 4.294 4.287 0.007 1
1 56 . 18 1 1 A 10 10 GLU N N 10 120.855 115.937 4.918 1
1 57 . 18 1 1 A 11 11 ASN H H 11 7.260 7.678 -0.418 1
1 58 . 18 1 1 A 11 11 ASN HA H 11 4.794 4.798 -0.004 1
1 63 . 18 1 1 A 11 11 ASN N N 11 124.776 120.293 4.483 1
1 65 . 18 1 1 A 12 12 PRO HA H 12 4.704 4.348 0.356 1
1 72 . 18 1 1 A 13 13 CYS H H 13 8.931 8.286 0.645 1
1 73 . 18 1 1 A 13 13 CYS HA H 13 4.648 4.262 0.386 1
1 76 . 18 1 1 A 13 13 CYS N N 13 121.945 114.251 7.694 1
1 77 . 18 1 1 A 14 14 CYS H H 14 7.543 7.754 -0.211 1
1 78 . 18 1 1 A 14 14 CYS HA H 14 5.056 4.867 0.189 1
1 81 . 18 1 1 A 14 14 CYS N N 14 116.460 117.429 -0.969 1
1 82 . 18 1 1 A 15 15 ASP H H 15 8.212 9.403 -1.191 1
1 83 . 18 1 1 A 15 15 ASP HA H 15 4.570 4.618 -0.048 1
1 86 . 18 1 1 A 15 15 ASP N N 15 125.197 125.703 -0.506 1
1 87 . 18 1 1 A 16 16 ALA H H 16 8.996 9.083 -0.087 1
1 88 . 18 1 1 A 16 16 ALA HA H 16 4.148 4.048 0.100 1
1 92 . 18 1 1 A 16 16 ALA N N 16 135.341 129.390 5.951 1
1 93 . 18 1 1 A 17 17 ALA H H 17 8.669 8.039 0.630 1
1 94 . 18 1 1 A 17 17 ALA HA H 17 4.361 4.077 0.284 1
1 98 . 18 1 1 A 17 17 ALA N N 17 121.910 119.366 2.544 1
1 99 . 18 1 1 A 18 18 THR H H 18 7.743 7.957 -0.214 1
1 100 . 18 1 1 A 18 18 THR HA H 18 4.445 4.452 -0.007 1
1 105 . 18 1 1 A 18 18 THR N N 18 109.481 108.843 0.638 1
1 106 . 18 1 1 A 19 19 CYS H H 19 8.601 8.379 0.222 1
1 107 . 18 1 1 A 19 19 CYS HA H 19 4.642 4.146 0.496 1
1 110 . 18 1 1 A 19 19 CYS N N 19 123.176 120.049 3.127 1
1 111 . 18 1 1 A 20 20 LYS H H 20 7.964 7.274 0.690 1
1 112 . 18 1 1 A 20 20 LYS HA H 20 4.945 4.813 0.132 1
1 117 . 18 1 1 A 20 20 LYS N N 20 122.525 120.076 2.449 1
1 118 . 18 1 1 A 21 21 LEU H H 21 9.211 8.767 0.444 1
1 119 . 18 1 1 A 21 21 LEU HA H 21 4.285 4.330 -0.045 1
1 129 . 18 1 1 A 21 21 LEU N N 21 124.582 122.427 2.155 1
1 130 . 18 1 1 A 22 22 ARG H H 22 8.490 8.427 0.063 1
1 131 . 18 1 1 A 22 22 ARG HA H 22 4.448 4.243 0.205 1
1 137 . 18 1 1 A 22 22 ARG N N 22 126.604 125.953 0.651 1
1 139 . 18 1 1 A 23 23 PRO HA H 23 4.389 4.507 -0.118 1
1 144 . 18 1 1 A 24 24 GLY H H 24 8.830 8.334 0.496 1
1 145 . 18 1 1 A 24 24 GLY HA2 H 24 4.295 3.921 0.374 1
1 146 . 18 1 1 A 24 24 GLY HA3 H 24 3.664 3.923 -0.259 1
1 147 . 18 1 1 A 24 24 GLY N N 24 117.708 106.389 11.319 1
1 148 . 18 1 1 A 25 25 ALA H H 25 7.942 7.797 0.145 1
1 149 . 18 1 1 A 25 25 ALA HA H 25 4.540 4.164 0.376 1
1 153 . 18 1 1 A 25 25 ALA N N 25 127.553 122.951 4.602 1
1 154 . 18 1 1 A 26 26 GLN H H 26 8.827 8.502 0.325 1
1 155 . 18 1 1 A 26 26 GLN HA H 26 4.113 3.984 0.129 1
1 162 . 18 1 1 A 26 26 GLN N N 26 122.086 118.817 3.269 1
1 164 . 18 1 1 A 27 27 CYS H H 27 7.805 7.208 0.597 1
1 165 . 18 1 1 A 27 27 CYS HA H 27 4.555 4.641 -0.086 1
1 168 . 18 1 1 A 27 27 CYS N N 27 117.409 115.725 1.684 1
1 169 . 18 1 1 A 28 28 GLY H H 28 9.163 8.646 0.517 1
1 170 . 18 1 1 A 28 28 GLY HA2 H 28 4.446 3.839 0.607 1
1 171 . 18 1 1 A 28 28 GLY HA3 H 28 3.574 3.855 -0.281 1
1 172 . 18 1 1 A 28 28 GLY N N 28 109.041 115.087 -6.046 1
1 173 . 18 1 1 A 29 29 GLU H H 29 7.844 7.698 0.146 1
1 174 . 18 1 1 A 29 29 GLU HA H 29 4.782 4.799 -0.017 1
1 179 . 18 1 1 A 29 29 GLU N N 29 122.174 118.227 3.947 1
1 180 . 18 1 1 A 30 30 GLY H H 30 8.391 8.448 -0.057 1
1 181 . 18 1 1 A 30 30 GLY HA2 H 30 4.915 4.307 0.608 1
1 182 . 18 1 1 A 30 30 GLY HA3 H 30 3.925 4.330 -0.405 1
1 183 . 18 1 1 A 30 30 GLY N N 30 112.663 111.530 1.133 1
1 184 . 18 1 1 A 31 31 LEU H H 31 8.960 8.763 0.197 1
1 185 . 18 1 1 A 31 31 LEU HA H 31 4.354 3.898 0.456 1
1 195 . 18 1 1 A 31 31 LEU N N 31 125.039 119.561 5.478 1
1 196 . 18 1 1 A 32 32 CYS H H 32 8.467 8.597 -0.130 1
1 197 . 18 1 1 A 32 32 CYS HA H 32 5.108 4.690 0.418 1
1 200 . 18 1 1 A 32 32 CYS N N 32 119.167 113.459 5.708 1
1 201 . 18 1 1 A 33 33 CYS H H 33 7.365 8.281 -0.916 1
1 202 . 18 1 1 A 33 33 CYS HA H 33 5.291 5.774 -0.483 1
1 205 . 18 1 1 A 33 33 CYS N N 33 125.303 121.791 3.512 1
1 206 . 18 1 1 A 34 34 GLU H H 34 9.742 8.668 1.074 1
1 207 . 18 1 1 A 34 34 GLU HA H 34 4.682 4.753 -0.071 1
1 212 . 18 1 1 A 34 34 GLU N N 34 132.652 125.258 7.394 1
1 213 . 18 1 1 A 35 35 GLN H H 35 9.453 9.453 0.000 1
1 214 . 18 1 1 A 35 35 GLN HA H 35 3.999 3.907 0.092 1
1 219 . 18 1 1 A 35 35 GLN N N 35 129.593 123.509 6.084 1
1 221 . 18 1 1 A 36 36 CYS H H 36 8.492 8.399 0.093 1
1 222 . 18 1 1 A 36 36 CYS HA H 36 4.801 4.184 0.617 1
1 225 . 18 1 1 A 36 36 CYS N N 36 109.569 109.831 -0.262 1
1 226 . 18 1 1 A 37 37 LYS H H 37 8.024 7.406 0.618 1
1 227 . 18 1 1 A 37 37 LYS HA H 37 4.703 4.648 0.055 1
1 236 . 18 1 1 A 37 37 LYS N N 37 125.110 118.598 6.512 1
1 237 . 18 1 1 A 38 38 PHE H H 38 8.276 8.476 -0.200 1
1 238 . 18 1 1 A 38 38 PHE HA H 38 5.141 4.561 0.580 1
1 245 . 18 1 1 A 38 38 PHE N N 38 123.897 119.823 4.074 1
1 246 . 18 1 1 A 39 39 SER H H 39 9.044 8.775 0.269 1
1 247 . 18 1 1 A 39 39 SER HA H 39 4.274 4.530 -0.256 1
1 250 . 18 1 1 A 39 39 SER N N 39 125.655 119.447 6.208 1
1 251 . 18 1 1 A 40 40 ARG H H 40 8.573 8.555 0.018 1
1 252 . 18 1 1 A 40 40 ARG HA H 40 4.101 4.689 -0.588 1
1 259 . 18 1 1 A 40 40 ARG N N 40 125.848 119.830 6.018 1
1 260 . 18 1 1 A 41 41 ALA H H 41 8.501 8.564 -0.063 1
1 261 . 18 1 1 A 41 41 ALA HA H 41 3.724 4.483 -0.759 1
1 265 . 18 1 1 A 41 41 ALA N N 41 127.729 125.461 2.268 1
1 266 . 18 1 1 A 42 42 GLY H H 42 8.619 8.692 -0.073 1
1 267 . 18 1 1 A 42 42 GLY HA2 H 42 4.486 3.875 0.611 1
1 268 . 18 1 1 A 42 42 GLY HA3 H 42 3.587 3.887 -0.300 1
1 269 . 18 1 1 A 42 42 GLY N N 42 114.579 109.367 5.212 1
1 270 . 18 1 1 A 43 43 LYS H H 43 7.535 7.469 0.066 1
1 271 . 18 1 1 A 43 43 LYS HA H 43 4.149 4.549 -0.400 1
1 280 . 18 1 1 A 43 43 LYS N N 43 126.780 121.591 5.189 1
1 281 . 18 1 1 A 44 44 ILE H H 44 8.810 8.461 0.349 1
1 282 . 18 1 1 A 44 44 ILE HA H 44 4.167 4.650 -0.483 1
1 290 . 18 1 1 A 44 44 ILE N N 44 133.179 126.630 6.549 1
1 291 . 18 1 1 A 45 45 CYS H H 45 9.355 9.035 0.320 1
1 292 . 18 1 1 A 45 45 CYS HA H 45 5.160 4.801 0.359 1
1 295 . 18 1 1 A 45 45 CYS N N 45 127.500 125.637 1.863 1
1 296 . 18 1 1 A 46 46 ARG H H 46 7.675 7.567 0.108 1
1 297 . 18 1 1 A 46 46 ARG HA H 46 4.469 4.778 -0.309 1
1 304 . 18 1 1 A 46 46 ARG N N 46 126.375 118.748 7.627 1
1 305 . 18 1 1 A 47 47 ILE H H 47 8.400 8.619 -0.219 1
1 306 . 18 1 1 A 47 47 ILE HA H 47 4.663 4.445 0.218 1
1 316 . 18 1 1 A 47 47 ILE N N 47 129.510 126.534 2.976 1
1 317 . 18 1 1 A 48 48 PRO HA H 48 4.491 4.848 -0.357 1
1 324 . 18 1 1 A 49 49 ARG H H 49 8.331 8.690 -0.359 1
1 325 . 18 1 1 A 49 49 ARG HA H 49 4.398 4.510 -0.112 1
1 332 . 18 1 1 A 49 49 ARG N N 49 122.965 121.835 1.130 1
1 333 . 18 1 1 A 50 50 GLY H H 50 8.426 8.283 0.143 1
1 334 . 18 1 1 A 50 50 GLY HA2 H 50 3.958 4.022 -0.064 1
1 335 . 18 1 1 A 50 50 GLY HA3 H 50 3.915 4.023 -0.108 1
1 336 . 18 1 1 A 50 50 GLY N N 50 114.157 111.915 2.242 1
1 337 . 18 1 1 A 51 51 GLU H H 51 8.753 8.517 0.236 1
1 338 . 18 1 1 A 51 51 GLU HA H 51 4.345 4.366 -0.021 1
1 343 . 18 1 1 A 51 51 GLU N N 51 125.370 123.055 2.315 1
1 344 . 18 1 1 A 52 52 MET H H 52 7.745 7.658 0.087 1
1 345 . 18 1 1 A 52 52 MET HA H 52 4.839 4.903 -0.064 1
1 350 . 18 1 1 A 52 52 MET N N 52 125.080 122.126 2.954 1
1 351 . 18 1 1 A 53 53 PRO HA H 53 4.485 4.482 0.003 1
1 358 . 18 1 1 A 54 54 ASP H H 54 8.114 8.281 -0.167 1
1 359 . 18 1 1 A 54 54 ASP HA H 54 4.577 4.873 -0.296 1
1 362 . 18 1 1 A 54 54 ASP N N 54 122.385 121.082 1.303 1
1 363 . 18 1 1 A 55 55 ASP H H 55 8.388 8.234 0.154 1
1 364 . 18 1 1 A 55 55 ASP HA H 55 5.052 4.871 0.181 1
1 367 . 18 1 1 A 55 55 ASP N N 55 124.758 124.062 0.696 1
1 368 . 18 1 1 A 56 56 ARG H H 56 8.358 9.033 -0.675 1
1 369 . 18 1 1 A 56 56 ARG HA H 56 5.332 5.544 -0.212 1
1 376 . 18 1 1 A 56 56 ARG N N 56 123.703 122.843 0.860 1
1 378 . 18 1 1 A 57 57 CYS H H 57 9.377 9.459 -0.082 1
1 379 . 18 1 1 A 57 57 CYS HA H 57 4.862 4.608 0.254 1
1 382 . 18 1 1 A 57 57 CYS N N 57 123.897 122.576 1.321 1
1 383 . 18 1 1 A 58 58 THR H H 58 10.180 8.547 1.633 1
1 384 . 18 1 1 A 58 58 THR HA H 58 4.442 4.590 -0.148 1
1 389 . 18 1 1 A 58 58 THR N N 58 117.445 115.009 2.436 1
1 390 . 18 1 1 A 59 59 GLY H H 59 8.546 7.744 0.802 1
1 391 . 18 1 1 A 59 59 GLY HA2 H 59 4.460 3.983 0.477 1
1 392 . 18 1 1 A 59 59 GLY HA3 H 59 4.460 3.999 0.461 1
1 393 . 18 1 1 A 59 59 GLY N N 59 115.880 110.480 5.400 1
1 394 . 18 1 1 A 60 60 GLN H H 60 7.986 7.677 0.309 1
1 395 . 18 1 1 A 60 60 GLN HA H 60 4.298 4.212 0.086 1
1 398 . 18 1 1 A 60 60 GLN N N 60 119.027 118.454 0.573 1
1 400 . 18 1 1 A 61 61 SER H H 61 6.630 7.661 -1.031 1
1 401 . 18 1 1 A 61 61 SER HA H 61 3.880 4.450 -0.570 1
1 404 . 18 1 1 A 61 61 SER N N 61 114.913 115.858 -0.945 1
1 405 . 18 1 1 A 62 62 ALA H H 62 9.027 8.656 0.371 1
1 406 . 18 1 1 A 62 62 ALA HA H 62 4.435 4.427 0.008 1
1 410 . 18 1 1 A 62 62 ALA N N 62 129.628 129.497 0.131 1
1 411 . 18 1 1 A 63 63 ASP H H 63 8.080 8.014 0.066 1
1 412 . 18 1 1 A 63 63 ASP HA H 63 4.895 4.743 0.152 1
1 415 . 18 1 1 A 63 63 ASP N N 63 121.506 115.623 5.883 1
1 416 . 18 1 1 A 64 64 CYS H H 64 8.924 8.303 0.621 1
1 417 . 18 1 1 A 64 64 CYS HA H 64 5.403 5.106 0.297 1
1 420 . 18 1 1 A 64 64 CYS N N 64 125.936 119.911 6.025 1
1 421 . 18 1 1 A 65 65 PRO HA H 65 4.375 4.422 -0.047 1
1 428 . 18 1 1 A 66 66 ARG H H 66 8.203 7.711 0.492 1
1 429 . 18 1 1 A 66 66 ARG HA H 66 4.362 4.654 -0.292 1
1 436 . 18 1 1 A 66 66 ARG N N 66 123.580 115.828 7.752 1
1 437 . 18 1 1 A 67 67 TYR H H 67 8.650 8.179 0.471 1
1 438 . 18 1 1 A 67 67 TYR HA H 67 4.459 4.819 -0.360 1
1 445 . 18 1 1 A 67 67 TYR N N 67 128.872 117.149 11.723 1
1 5 . 19 1 1 A 2 2 LYS H H 2 8.331 7.861 0.470 1
1 10 . 19 1 1 A 2 2 LYS N N 2 125.285 120.808 4.477 1
1 11 . 19 1 1 A 3 3 GLU H H 3 8.659 8.478 0.181 1
1 12 . 19 1 1 A 3 3 GLU HA H 3 4.322 4.557 -0.235 1
1 17 . 19 1 1 A 3 3 GLU N N 3 125.356 120.205 5.151 1
1 18 . 19 1 1 A 4 4 CYS H H 4 8.116 7.634 0.482 1
1 19 . 19 1 1 A 4 4 CYS HA H 4 4.975 5.550 -0.575 1
1 22 . 19 1 1 A 4 4 CYS N N 4 123.773 119.023 4.750 1
1 23 . 19 1 1 A 5 5 ASP H H 5 8.776 8.855 -0.079 1
1 24 . 19 1 1 A 5 5 ASP HA H 5 4.817 4.703 0.114 1
1 27 . 19 1 1 A 5 5 ASP N N 5 123.756 125.319 -1.563 1
1 28 . 19 1 1 A 6 6 CYS H H 6 6.975 7.327 -0.352 1
1 29 . 19 1 1 A 6 6 CYS HA H 6 4.931 5.075 -0.144 1
1 32 . 19 1 1 A 6 6 CYS N N 6 116.724 117.625 -0.901 1
1 33 . 19 1 1 A 7 7 SER H H 7 9.659 8.856 0.803 1
1 34 . 19 1 1 A 7 7 SER HA H 7 4.226 4.685 -0.459 1
1 37 . 19 1 1 A 7 7 SER N N 7 123.545 118.791 4.754 1
1 38 . 19 1 1 A 8 8 SER H H 8 7.862 7.683 0.179 1
1 39 . 19 1 1 A 8 8 SER HA H 8 5.137 4.966 0.171 1
1 42 . 19 1 1 A 8 8 SER N N 8 119.712 115.916 3.796 1
1 43 . 19 1 1 A 9 9 PRO HA H 9 4.559 4.550 0.009 1
1 50 . 19 1 1 A 10 10 GLU H H 10 8.244 8.256 -0.012 1
1 51 . 19 1 1 A 10 10 GLU HA H 10 4.294 4.282 0.012 1
1 56 . 19 1 1 A 10 10 GLU N N 10 120.855 116.977 3.878 1
1 57 . 19 1 1 A 11 11 ASN H H 11 7.260 7.596 -0.336 1
1 58 . 19 1 1 A 11 11 ASN HA H 11 4.794 4.717 0.077 1
1 63 . 19 1 1 A 11 11 ASN N N 11 124.776 119.724 5.052 1
1 65 . 19 1 1 A 12 12 PRO HA H 12 4.704 4.461 0.243 1
1 72 . 19 1 1 A 13 13 CYS H H 13 8.931 7.898 1.033 1
1 73 . 19 1 1 A 13 13 CYS HA H 13 4.648 4.570 0.078 1
1 76 . 19 1 1 A 13 13 CYS N N 13 121.945 114.834 7.111 1
1 77 . 19 1 1 A 14 14 CYS H H 14 7.543 7.282 0.261 1
1 78 . 19 1 1 A 14 14 CYS HA H 14 5.056 5.072 -0.016 1
1 81 . 19 1 1 A 14 14 CYS N N 14 116.460 117.456 -0.996 1
1 82 . 19 1 1 A 15 15 ASP H H 15 8.212 9.581 -1.369 1
1 83 . 19 1 1 A 15 15 ASP HA H 15 4.570 4.627 -0.057 1
1 86 . 19 1 1 A 15 15 ASP N N 15 125.197 124.466 0.731 1
1 87 . 19 1 1 A 16 16 ALA H H 16 8.996 9.025 -0.029 1
1 88 . 19 1 1 A 16 16 ALA HA H 16 4.148 3.964 0.184 1
1 92 . 19 1 1 A 16 16 ALA N N 16 135.341 129.669 5.672 1
1 93 . 19 1 1 A 17 17 ALA H H 17 8.669 7.728 0.941 1
1 94 . 19 1 1 A 17 17 ALA HA H 17 4.361 4.099 0.262 1
1 98 . 19 1 1 A 17 17 ALA N N 17 121.910 119.914 1.996 1
1 99 . 19 1 1 A 18 18 THR H H 18 7.743 7.741 0.002 1
1 100 . 19 1 1 A 18 18 THR HA H 18 4.445 4.349 0.096 1
1 105 . 19 1 1 A 18 18 THR N N 18 109.481 110.736 -1.255 1
1 106 . 19 1 1 A 19 19 CYS H H 19 8.601 8.363 0.238 1
1 107 . 19 1 1 A 19 19 CYS HA H 19 4.642 4.118 0.524 1
1 110 . 19 1 1 A 19 19 CYS N N 19 123.176 119.798 3.378 1
1 111 . 19 1 1 A 20 20 LYS H H 20 7.964 7.172 0.792 1
1 112 . 19 1 1 A 20 20 LYS HA H 20 4.945 4.858 0.087 1
1 117 . 19 1 1 A 20 20 LYS N N 20 122.525 119.134 3.391 1
1 118 . 19 1 1 A 21 21 LEU H H 21 9.211 8.662 0.549 1
1 119 . 19 1 1 A 21 21 LEU HA H 21 4.285 4.522 -0.237 1
1 129 . 19 1 1 A 21 21 LEU N N 21 124.582 122.677 1.905 1
1 130 . 19 1 1 A 22 22 ARG H H 22 8.490 8.403 0.087 1
1 131 . 19 1 1 A 22 22 ARG HA H 22 4.448 4.300 0.148 1
1 137 . 19 1 1 A 22 22 ARG N N 22 126.604 126.604 0.000 1
1 139 . 19 1 1 A 23 23 PRO HA H 23 4.389 4.504 -0.115 1
1 144 . 19 1 1 A 24 24 GLY H H 24 8.830 8.347 0.483 1
1 145 . 19 1 1 A 24 24 GLY HA2 H 24 4.295 3.935 0.360 1
1 146 . 19 1 1 A 24 24 GLY HA3 H 24 3.664 3.936 -0.272 1
1 147 . 19 1 1 A 24 24 GLY N N 24 117.708 106.400 11.308 1
1 148 . 19 1 1 A 25 25 ALA H H 25 7.942 7.750 0.192 1
1 149 . 19 1 1 A 25 25 ALA HA H 25 4.540 4.216 0.324 1
1 153 . 19 1 1 A 25 25 ALA N N 25 127.553 123.069 4.484 1
1 154 . 19 1 1 A 26 26 GLN H H 26 8.827 8.627 0.200 1
1 155 . 19 1 1 A 26 26 GLN HA H 26 4.113 4.258 -0.145 1
1 162 . 19 1 1 A 26 26 GLN N N 26 122.086 119.442 2.644 1
1 164 . 19 1 1 A 27 27 CYS H H 27 7.805 7.262 0.543 1
1 165 . 19 1 1 A 27 27 CYS HA H 27 4.555 4.509 0.046 1
1 168 . 19 1 1 A 27 27 CYS N N 27 117.409 113.601 3.808 1
1 169 . 19 1 1 A 28 28 GLY H H 28 9.163 8.558 0.605 1
1 170 . 19 1 1 A 28 28 GLY HA2 H 28 4.446 3.912 0.534 1
1 171 . 19 1 1 A 28 28 GLY HA3 H 28 3.574 3.927 -0.353 1
1 172 . 19 1 1 A 28 28 GLY N N 28 109.041 110.028 -0.987 1
1 173 . 19 1 1 A 29 29 GLU H H 29 7.844 7.786 0.058 1
1 174 . 19 1 1 A 29 29 GLU HA H 29 4.782 4.726 0.056 1
1 179 . 19 1 1 A 29 29 GLU N N 29 122.174 115.446 6.728 1
1 180 . 19 1 1 A 30 30 GLY H H 30 8.391 8.420 -0.029 1
1 181 . 19 1 1 A 30 30 GLY HA2 H 30 4.915 4.287 0.628 1
1 182 . 19 1 1 A 30 30 GLY HA3 H 30 3.925 4.296 -0.371 1
1 183 . 19 1 1 A 30 30 GLY N N 30 112.663 107.482 5.181 1
1 184 . 19 1 1 A 31 31 LEU H H 31 8.960 8.828 0.132 1
1 185 . 19 1 1 A 31 31 LEU HA H 31 4.354 3.963 0.391 1
1 195 . 19 1 1 A 31 31 LEU N N 31 125.039 120.775 4.264 1
1 196 . 19 1 1 A 32 32 CYS H H 32 8.467 8.878 -0.411 1
1 197 . 19 1 1 A 32 32 CYS HA H 32 5.108 4.771 0.337 1
1 200 . 19 1 1 A 32 32 CYS N N 32 119.167 113.617 5.550 1
1 201 . 19 1 1 A 33 33 CYS H H 33 7.365 7.513 -0.148 1
1 202 . 19 1 1 A 33 33 CYS HA H 33 5.291 5.005 0.286 1
1 205 . 19 1 1 A 33 33 CYS N N 33 125.303 120.809 4.494 1
1 206 . 19 1 1 A 34 34 GLU H H 34 9.742 8.512 1.230 1
1 207 . 19 1 1 A 34 34 GLU HA H 34 4.682 4.801 -0.119 1
1 212 . 19 1 1 A 34 34 GLU N N 34 132.652 126.460 6.192 1
1 213 . 19 1 1 A 35 35 GLN H H 35 9.453 9.463 -0.010 1
1 214 . 19 1 1 A 35 35 GLN HA H 35 3.999 3.869 0.130 1
1 219 . 19 1 1 A 35 35 GLN N N 35 129.593 122.147 7.446 1
1 221 . 19 1 1 A 36 36 CYS H H 36 8.492 8.390 0.102 1
1 222 . 19 1 1 A 36 36 CYS HA H 36 4.801 4.610 0.191 1
1 225 . 19 1 1 A 36 36 CYS N N 36 109.569 110.453 -0.884 1
1 226 . 19 1 1 A 37 37 LYS H H 37 8.024 7.364 0.660 1
1 227 . 19 1 1 A 37 37 LYS HA H 37 4.703 4.622 0.081 1
1 236 . 19 1 1 A 37 37 LYS N N 37 125.110 118.957 6.153 1
1 237 . 19 1 1 A 38 38 PHE H H 38 8.276 8.085 0.191 1
1 238 . 19 1 1 A 38 38 PHE HA H 38 5.141 4.525 0.616 1
1 245 . 19 1 1 A 38 38 PHE N N 38 123.897 122.309 1.588 1
1 246 . 19 1 1 A 39 39 SER H H 39 9.044 8.740 0.304 1
1 247 . 19 1 1 A 39 39 SER HA H 39 4.274 4.500 -0.226 1
1 250 . 19 1 1 A 39 39 SER N N 39 125.655 120.082 5.573 1
1 251 . 19 1 1 A 40 40 ARG H H 40 8.573 8.531 0.042 1
1 252 . 19 1 1 A 40 40 ARG HA H 40 4.101 5.006 -0.905 1
1 259 . 19 1 1 A 40 40 ARG N N 40 125.848 124.842 1.006 1
1 260 . 19 1 1 A 41 41 ALA H H 41 8.501 8.518 -0.017 1
1 261 . 19 1 1 A 41 41 ALA HA H 41 3.724 4.484 -0.760 1
1 265 . 19 1 1 A 41 41 ALA N N 41 127.729 126.786 0.943 1
1 266 . 19 1 1 A 42 42 GLY H H 42 8.619 8.552 0.067 1
1 267 . 19 1 1 A 42 42 GLY HA2 H 42 4.486 3.841 0.645 1
1 268 . 19 1 1 A 42 42 GLY HA3 H 42 3.587 3.850 -0.263 1
1 269 . 19 1 1 A 42 42 GLY N N 42 114.579 109.390 5.189 1
1 270 . 19 1 1 A 43 43 LYS H H 43 7.535 7.304 0.231 1
1 271 . 19 1 1 A 43 43 LYS HA H 43 4.149 4.646 -0.497 1
1 280 . 19 1 1 A 43 43 LYS N N 43 126.780 120.953 5.827 1
1 281 . 19 1 1 A 44 44 ILE H H 44 8.810 8.510 0.300 1
1 282 . 19 1 1 A 44 44 ILE HA H 44 4.167 4.654 -0.487 1
1 290 . 19 1 1 A 44 44 ILE N N 44 133.179 126.748 6.431 1
1 291 . 19 1 1 A 45 45 CYS H H 45 9.355 9.333 0.022 1
1 292 . 19 1 1 A 45 45 CYS HA H 45 5.160 4.777 0.383 1
1 295 . 19 1 1 A 45 45 CYS N N 45 127.500 125.883 1.617 1
1 296 . 19 1 1 A 46 46 ARG H H 46 7.675 7.625 0.050 1
1 297 . 19 1 1 A 46 46 ARG HA H 46 4.469 4.834 -0.365 1
1 304 . 19 1 1 A 46 46 ARG N N 46 126.375 118.738 7.637 1
1 305 . 19 1 1 A 47 47 ILE H H 47 8.400 9.052 -0.652 1
1 306 . 19 1 1 A 47 47 ILE HA H 47 4.663 4.844 -0.181 1
1 316 . 19 1 1 A 47 47 ILE N N 47 129.510 124.674 4.836 1
1 317 . 19 1 1 A 48 48 PRO HA H 48 4.491 4.823 -0.332 1
1 324 . 19 1 1 A 49 49 ARG H H 49 8.331 8.382 -0.051 1
1 325 . 19 1 1 A 49 49 ARG HA H 49 4.398 4.205 0.193 1
1 332 . 19 1 1 A 49 49 ARG N N 49 122.965 119.338 3.627 1
1 333 . 19 1 1 A 50 50 GLY H H 50 8.426 8.575 -0.149 1
1 334 . 19 1 1 A 50 50 GLY HA2 H 50 3.958 4.021 -0.063 1
1 335 . 19 1 1 A 50 50 GLY HA3 H 50 3.915 4.027 -0.112 1
1 336 . 19 1 1 A 50 50 GLY N N 50 114.157 110.642 3.515 1
1 337 . 19 1 1 A 51 51 GLU H H 51 8.753 8.466 0.287 1
1 338 . 19 1 1 A 51 51 GLU HA H 51 4.345 3.886 0.459 1
1 343 . 19 1 1 A 51 51 GLU N N 51 125.370 111.064 14.306 1
1 344 . 19 1 1 A 52 52 MET H H 52 7.745 7.713 0.032 1
1 345 . 19 1 1 A 52 52 MET HA H 52 4.839 5.040 -0.201 1
1 350 . 19 1 1 A 52 52 MET N N 52 125.080 118.897 6.183 1
1 351 . 19 1 1 A 53 53 PRO HA H 53 4.485 4.613 -0.128 1
1 358 . 19 1 1 A 54 54 ASP H H 54 8.114 8.281 -0.167 1
1 359 . 19 1 1 A 54 54 ASP HA H 54 4.577 5.117 -0.540 1
1 362 . 19 1 1 A 54 54 ASP N N 54 122.385 120.185 2.200 1
1 363 . 19 1 1 A 55 55 ASP H H 55 8.388 8.432 -0.044 1
1 364 . 19 1 1 A 55 55 ASP HA H 55 5.052 4.759 0.293 1
1 367 . 19 1 1 A 55 55 ASP N N 55 124.758 124.453 0.305 1
1 368 . 19 1 1 A 56 56 ARG H H 56 8.358 8.648 -0.290 1
1 369 . 19 1 1 A 56 56 ARG HA H 56 5.332 5.162 0.170 1
1 376 . 19 1 1 A 56 56 ARG N N 56 123.703 123.015 0.688 1
1 378 . 19 1 1 A 57 57 CYS H H 57 9.377 10.166 -0.789 1
1 379 . 19 1 1 A 57 57 CYS HA H 57 4.862 4.617 0.245 1
1 382 . 19 1 1 A 57 57 CYS N N 57 123.897 122.737 1.160 1
1 383 . 19 1 1 A 58 58 THR H H 58 10.180 8.715 1.465 1
1 384 . 19 1 1 A 58 58 THR HA H 58 4.442 4.159 0.283 1
1 389 . 19 1 1 A 58 58 THR N N 58 117.445 119.983 -2.538 1
1 390 . 19 1 1 A 59 59 GLY H H 59 8.546 7.792 0.754 1
1 391 . 19 1 1 A 59 59 GLY HA2 H 59 4.460 3.983 0.477 1
1 392 . 19 1 1 A 59 59 GLY HA3 H 59 4.460 4.009 0.451 1
1 393 . 19 1 1 A 59 59 GLY N N 59 115.880 109.394 6.486 1
1 394 . 19 1 1 A 60 60 GLN H H 60 7.986 7.977 0.009 1
1 395 . 19 1 1 A 60 60 GLN HA H 60 4.298 4.097 0.201 1
1 398 . 19 1 1 A 60 60 GLN N N 60 119.027 117.818 1.209 1
1 400 . 19 1 1 A 61 61 SER H H 61 6.630 7.670 -1.040 1
1 401 . 19 1 1 A 61 61 SER HA H 61 3.880 4.615 -0.735 1
1 404 . 19 1 1 A 61 61 SER N N 61 114.913 115.335 -0.422 1
1 405 . 19 1 1 A 62 62 ALA H H 62 9.027 8.950 0.077 1
1 406 . 19 1 1 A 62 62 ALA HA H 62 4.435 4.489 -0.054 1
1 410 . 19 1 1 A 62 62 ALA N N 62 129.628 127.562 2.066 1
1 411 . 19 1 1 A 63 63 ASP H H 63 8.080 8.045 0.035 1
1 412 . 19 1 1 A 63 63 ASP HA H 63 4.895 4.895 0.000 1
1 415 . 19 1 1 A 63 63 ASP N N 63 121.506 115.965 5.541 1
1 416 . 19 1 1 A 64 64 CYS H H 64 8.924 8.553 0.371 1
1 417 . 19 1 1 A 64 64 CYS HA H 64 5.403 5.276 0.127 1
1 420 . 19 1 1 A 64 64 CYS N N 64 125.936 119.512 6.424 1
1 421 . 19 1 1 A 65 65 PRO HA H 65 4.375 4.641 -0.266 1
1 428 . 19 1 1 A 66 66 ARG H H 66 8.203 8.612 -0.409 1
1 429 . 19 1 1 A 66 66 ARG HA H 66 4.362 4.729 -0.367 1
1 436 . 19 1 1 A 66 66 ARG N N 66 123.580 121.367 2.213 1
1 437 . 19 1 1 A 67 67 TYR H H 67 8.650 8.673 -0.023 1
1 438 . 19 1 1 A 67 67 TYR HA H 67 4.459 4.719 -0.260 1
1 445 . 19 1 1 A 67 67 TYR N N 67 128.872 127.503 1.369 1
1 5 . 20 1 1 A 2 2 LYS H H 2 8.331 8.508 -0.177 1
1 10 . 20 1 1 A 2 2 LYS N N 2 125.285 120.443 4.842 1
1 11 . 20 1 1 A 3 3 GLU H H 3 8.659 8.539 0.120 1
1 12 . 20 1 1 A 3 3 GLU HA H 3 4.322 4.515 -0.193 1
1 17 . 20 1 1 A 3 3 GLU N N 3 125.356 126.509 -1.153 1
1 18 . 20 1 1 A 4 4 CYS H H 4 8.116 8.156 -0.040 1
1 19 . 20 1 1 A 4 4 CYS HA H 4 4.975 5.597 -0.622 1
1 22 . 20 1 1 A 4 4 CYS N N 4 123.773 117.067 6.706 1
1 23 . 20 1 1 A 5 5 ASP H H 5 8.776 8.737 0.039 1
1 24 . 20 1 1 A 5 5 ASP HA H 5 4.817 4.706 0.111 1
1 27 . 20 1 1 A 5 5 ASP N N 5 123.756 126.108 -2.352 1
1 28 . 20 1 1 A 6 6 CYS H H 6 6.975 7.592 -0.617 1
1 29 . 20 1 1 A 6 6 CYS HA H 6 4.931 4.870 0.061 1
1 32 . 20 1 1 A 6 6 CYS N N 6 116.724 114.461 2.263 1
1 33 . 20 1 1 A 7 7 SER H H 7 9.659 8.359 1.300 1
1 34 . 20 1 1 A 7 7 SER HA H 7 4.226 4.765 -0.539 1
1 37 . 20 1 1 A 7 7 SER N N 7 123.545 115.174 8.371 1
1 38 . 20 1 1 A 8 8 SER H H 8 7.862 7.753 0.109 1
1 39 . 20 1 1 A 8 8 SER HA H 8 5.137 4.791 0.346 1
1 42 . 20 1 1 A 8 8 SER N N 8 119.712 118.668 1.044 1
1 43 . 20 1 1 A 9 9 PRO HA H 9 4.559 4.555 0.004 1
1 50 . 20 1 1 A 10 10 GLU H H 10 8.244 8.232 0.012 1
1 51 . 20 1 1 A 10 10 GLU HA H 10 4.294 4.352 -0.058 1
1 56 . 20 1 1 A 10 10 GLU N N 10 120.855 115.770 5.085 1
1 57 . 20 1 1 A 11 11 ASN H H 11 7.260 7.610 -0.350 1
1 58 . 20 1 1 A 11 11 ASN HA H 11 4.794 4.767 0.027 1
1 63 . 20 1 1 A 11 11 ASN N N 11 124.776 120.099 4.677 1
1 65 . 20 1 1 A 12 12 PRO HA H 12 4.704 4.452 0.252 1
1 72 . 20 1 1 A 13 13 CYS H H 13 8.931 8.152 0.779 1
1 73 . 20 1 1 A 13 13 CYS HA H 13 4.648 4.296 0.352 1
1 76 . 20 1 1 A 13 13 CYS N N 13 121.945 114.254 7.691 1
1 77 . 20 1 1 A 14 14 CYS H H 14 7.543 7.703 -0.160 1
1 78 . 20 1 1 A 14 14 CYS HA H 14 5.056 5.055 0.001 1
1 81 . 20 1 1 A 14 14 CYS N N 14 116.460 115.265 1.195 1
1 82 . 20 1 1 A 15 15 ASP H H 15 8.212 9.621 -1.409 1
1 83 . 20 1 1 A 15 15 ASP HA H 15 4.570 4.565 0.005 1
1 86 . 20 1 1 A 15 15 ASP N N 15 125.197 124.899 0.298 1
1 87 . 20 1 1 A 16 16 ALA H H 16 8.996 8.974 0.022 1
1 88 . 20 1 1 A 16 16 ALA HA H 16 4.148 4.087 0.061 1
1 92 . 20 1 1 A 16 16 ALA N N 16 135.341 128.581 6.760 1
1 93 . 20 1 1 A 17 17 ALA H H 17 8.669 8.049 0.620 1
1 94 . 20 1 1 A 17 17 ALA HA H 17 4.361 4.092 0.269 1
1 98 . 20 1 1 A 17 17 ALA N N 17 121.910 120.110 1.800 1
1 99 . 20 1 1 A 18 18 THR H H 18 7.743 7.739 0.004 1
1 100 . 20 1 1 A 18 18 THR HA H 18 4.445 4.373 0.072 1
1 105 . 20 1 1 A 18 18 THR N N 18 109.481 110.551 -1.070 1
1 106 . 20 1 1 A 19 19 CYS H H 19 8.601 7.805 0.796 1
1 107 . 20 1 1 A 19 19 CYS HA H 19 4.642 4.614 0.028 1
1 110 . 20 1 1 A 19 19 CYS N N 19 123.176 119.743 3.433 1
1 111 . 20 1 1 A 20 20 LYS H H 20 7.964 7.181 0.783 1
1 112 . 20 1 1 A 20 20 LYS HA H 20 4.945 4.817 0.128 1
1 117 . 20 1 1 A 20 20 LYS N N 20 122.525 118.844 3.681 1
1 118 . 20 1 1 A 21 21 LEU H H 21 9.211 8.688 0.523 1
1 119 . 20 1 1 A 21 21 LEU HA H 21 4.285 4.485 -0.200 1
1 129 . 20 1 1 A 21 21 LEU N N 21 124.582 122.929 1.653 1
1 130 . 20 1 1 A 22 22 ARG H H 22 8.490 8.466 0.024 1
1 131 . 20 1 1 A 22 22 ARG HA H 22 4.448 4.360 0.088 1
1 137 . 20 1 1 A 22 22 ARG N N 22 126.604 125.739 0.865 1
1 139 . 20 1 1 A 23 23 PRO HA H 23 4.389 4.511 -0.122 1
1 144 . 20 1 1 A 24 24 GLY H H 24 8.830 8.343 0.487 1
1 145 . 20 1 1 A 24 24 GLY HA2 H 24 4.295 3.888 0.407 1
1 146 . 20 1 1 A 24 24 GLY HA3 H 24 3.664 3.889 -0.225 1
1 147 . 20 1 1 A 24 24 GLY N N 24 117.708 106.498 11.210 1
1 148 . 20 1 1 A 25 25 ALA H H 25 7.942 7.773 0.169 1
1 149 . 20 1 1 A 25 25 ALA HA H 25 4.540 4.201 0.339 1
1 153 . 20 1 1 A 25 25 ALA N N 25 127.553 123.138 4.415 1
1 154 . 20 1 1 A 26 26 GLN H H 26 8.827 8.914 -0.087 1
1 155 . 20 1 1 A 26 26 GLN HA H 26 4.113 3.850 0.263 1
1 162 . 20 1 1 A 26 26 GLN N N 26 122.086 120.949 1.137 1
1 164 . 20 1 1 A 27 27 CYS H H 27 7.805 6.910 0.895 1
1 165 . 20 1 1 A 27 27 CYS HA H 27 4.555 4.573 -0.018 1
1 168 . 20 1 1 A 27 27 CYS N N 27 117.409 112.828 4.581 1
1 169 . 20 1 1 A 28 28 GLY H H 28 9.163 8.544 0.619 1
1 170 . 20 1 1 A 28 28 GLY HA2 H 28 4.446 3.990 0.456 1
1 171 . 20 1 1 A 28 28 GLY HA3 H 28 3.574 4.004 -0.430 1
1 172 . 20 1 1 A 28 28 GLY N N 28 109.041 109.574 -0.533 1
1 173 . 20 1 1 A 29 29 GLU H H 29 7.844 7.823 0.021 1
1 174 . 20 1 1 A 29 29 GLU HA H 29 4.782 4.770 0.012 1
1 179 . 20 1 1 A 29 29 GLU N N 29 122.174 114.518 7.656 1
1 180 . 20 1 1 A 30 30 GLY H H 30 8.391 8.384 0.007 1
1 181 . 20 1 1 A 30 30 GLY HA2 H 30 4.915 4.278 0.637 1
1 182 . 20 1 1 A 30 30 GLY HA3 H 30 3.925 4.292 -0.367 1
1 183 . 20 1 1 A 30 30 GLY N N 30 112.663 107.292 5.371 1
1 184 . 20 1 1 A 31 31 LEU H H 31 8.960 8.623 0.337 1
1 185 . 20 1 1 A 31 31 LEU HA H 31 4.354 4.256 0.098 1
1 195 . 20 1 1 A 31 31 LEU N N 31 125.039 117.996 7.043 1
1 196 . 20 1 1 A 32 32 CYS H H 32 8.467 8.060 0.407 1
1 197 . 20 1 1 A 32 32 CYS HA H 32 5.108 4.728 0.380 1
1 200 . 20 1 1 A 32 32 CYS N N 32 119.167 116.849 2.318 1
1 201 . 20 1 1 A 33 33 CYS H H 33 7.365 7.849 -0.484 1
1 202 . 20 1 1 A 33 33 CYS HA H 33 5.291 5.251 0.040 1
1 205 . 20 1 1 A 33 33 CYS N N 33 125.303 121.215 4.088 1
1 206 . 20 1 1 A 34 34 GLU H H 34 9.742 8.458 1.284 1
1 207 . 20 1 1 A 34 34 GLU HA H 34 4.682 4.778 -0.096 1
1 212 . 20 1 1 A 34 34 GLU N N 34 132.652 126.150 6.502 1
1 213 . 20 1 1 A 35 35 GLN H H 35 9.453 9.483 -0.030 1
1 214 . 20 1 1 A 35 35 GLN HA H 35 3.999 3.907 0.092 1
1 219 . 20 1 1 A 35 35 GLN N N 35 129.593 123.659 5.934 1
1 221 . 20 1 1 A 36 36 CYS H H 36 8.492 8.398 0.094 1
1 222 . 20 1 1 A 36 36 CYS HA H 36 4.801 4.570 0.231 1
1 225 . 20 1 1 A 36 36 CYS N N 36 109.569 109.225 0.344 1
1 226 . 20 1 1 A 37 37 LYS H H 37 8.024 7.292 0.732 1
1 227 . 20 1 1 A 37 37 LYS HA H 37 4.703 4.684 0.019 1
1 236 . 20 1 1 A 37 37 LYS N N 37 125.110 119.354 5.756 1
1 237 . 20 1 1 A 38 38 PHE H H 38 8.276 8.296 -0.020 1
1 238 . 20 1 1 A 38 38 PHE HA H 38 5.141 4.575 0.566 1
1 245 . 20 1 1 A 38 38 PHE N N 38 123.897 120.127 3.770 1
1 246 . 20 1 1 A 39 39 SER H H 39 9.044 8.283 0.761 1
1 247 . 20 1 1 A 39 39 SER HA H 39 4.274 4.641 -0.367 1
1 250 . 20 1 1 A 39 39 SER N N 39 125.655 119.515 6.140 1
1 251 . 20 1 1 A 40 40 ARG H H 40 8.573 8.637 -0.064 1
1 252 . 20 1 1 A 40 40 ARG HA H 40 4.101 4.951 -0.850 1
1 259 . 20 1 1 A 40 40 ARG N N 40 125.848 120.041 5.807 1
1 260 . 20 1 1 A 41 41 ALA H H 41 8.501 8.543 -0.042 1
1 261 . 20 1 1 A 41 41 ALA HA H 41 3.724 4.516 -0.792 1
1 265 . 20 1 1 A 41 41 ALA N N 41 127.729 125.915 1.814 1
1 266 . 20 1 1 A 42 42 GLY H H 42 8.619 8.611 0.008 1
1 267 . 20 1 1 A 42 42 GLY HA2 H 42 4.486 3.866 0.620 1
1 268 . 20 1 1 A 42 42 GLY HA3 H 42 3.587 3.868 -0.281 1
1 269 . 20 1 1 A 42 42 GLY N N 42 114.579 109.337 5.242 1
1 270 . 20 1 1 A 43 43 LYS H H 43 7.535 7.419 0.116 1
1 271 . 20 1 1 A 43 43 LYS HA H 43 4.149 4.561 -0.412 1
1 280 . 20 1 1 A 43 43 LYS N N 43 126.780 121.393 5.387 1
1 281 . 20 1 1 A 44 44 ILE H H 44 8.810 8.453 0.357 1
1 282 . 20 1 1 A 44 44 ILE HA H 44 4.167 4.643 -0.476 1
1 290 . 20 1 1 A 44 44 ILE N N 44 133.179 126.644 6.535 1
1 291 . 20 1 1 A 45 45 CYS H H 45 9.355 9.000 0.355 1
1 292 . 20 1 1 A 45 45 CYS HA H 45 5.160 4.776 0.384 1
1 295 . 20 1 1 A 45 45 CYS N N 45 127.500 125.725 1.775 1
1 296 . 20 1 1 A 46 46 ARG H H 46 7.675 7.630 0.045 1
1 297 . 20 1 1 A 46 46 ARG HA H 46 4.469 4.944 -0.475 1
1 304 . 20 1 1 A 46 46 ARG N N 46 126.375 120.282 6.093 1
1 305 . 20 1 1 A 47 47 ILE H H 47 8.400 9.066 -0.666 1
1 306 . 20 1 1 A 47 47 ILE HA H 47 4.663 4.865 -0.202 1
1 316 . 20 1 1 A 47 47 ILE N N 47 129.510 127.785 1.725 1
1 317 . 20 1 1 A 48 48 PRO HA H 48 4.491 4.807 -0.316 1
1 324 . 20 1 1 A 49 49 ARG H H 49 8.331 8.440 -0.109 1
1 325 . 20 1 1 A 49 49 ARG HA H 49 4.398 4.155 0.243 1
1 332 . 20 1 1 A 49 49 ARG N N 49 122.965 123.434 -0.469 1
1 333 . 20 1 1 A 50 50 GLY H H 50 8.426 8.543 -0.117 1
1 334 . 20 1 1 A 50 50 GLY HA2 H 50 3.958 4.077 -0.119 1
1 335 . 20 1 1 A 50 50 GLY HA3 H 50 3.915 4.078 -0.163 1
1 336 . 20 1 1 A 50 50 GLY N N 50 114.157 108.858 5.299 1
1 337 . 20 1 1 A 51 51 GLU H H 51 8.753 8.912 -0.159 1
1 338 . 20 1 1 A 51 51 GLU HA H 51 4.345 4.526 -0.181 1
1 343 . 20 1 1 A 51 51 GLU N N 51 125.370 125.512 -0.142 1
1 344 . 20 1 1 A 52 52 MET H H 52 7.745 7.555 0.190 1
1 345 . 20 1 1 A 52 52 MET HA H 52 4.839 4.663 0.176 1
1 350 . 20 1 1 A 52 52 MET N N 52 125.080 119.517 5.563 1
1 351 . 20 1 1 A 53 53 PRO HA H 53 4.485 4.613 -0.128 1
1 358 . 20 1 1 A 54 54 ASP H H 54 8.114 8.464 -0.350 1
1 359 . 20 1 1 A 54 54 ASP HA H 54 4.577 5.319 -0.742 1
1 362 . 20 1 1 A 54 54 ASP N N 54 122.385 119.682 2.703 1
1 363 . 20 1 1 A 55 55 ASP H H 55 8.388 8.765 -0.377 1
1 364 . 20 1 1 A 55 55 ASP HA H 55 5.052 5.358 -0.306 1
1 367 . 20 1 1 A 55 55 ASP N N 55 124.758 122.962 1.796 1
1 368 . 20 1 1 A 56 56 ARG H H 56 8.358 9.030 -0.672 1
1 369 . 20 1 1 A 56 56 ARG HA H 56 5.332 5.476 -0.144 1
1 376 . 20 1 1 A 56 56 ARG N N 56 123.703 124.266 -0.563 1
1 378 . 20 1 1 A 57 57 CYS H H 57 9.377 9.341 0.036 1
1 379 . 20 1 1 A 57 57 CYS HA H 57 4.862 4.610 0.252 1
1 382 . 20 1 1 A 57 57 CYS N N 57 123.897 121.921 1.976 1
1 383 . 20 1 1 A 58 58 THR H H 58 10.180 8.564 1.616 1
1 384 . 20 1 1 A 58 58 THR HA H 58 4.442 4.544 -0.102 1
1 389 . 20 1 1 A 58 58 THR N N 58 117.445 114.949 2.496 1
1 390 . 20 1 1 A 59 59 GLY H H 59 8.546 7.720 0.826 1
1 391 . 20 1 1 A 59 59 GLY HA2 H 59 4.460 3.959 0.501 1
1 392 . 20 1 1 A 59 59 GLY HA3 H 59 4.460 3.985 0.475 1
1 393 . 20 1 1 A 59 59 GLY N N 59 115.880 110.592 5.288 1
1 394 . 20 1 1 A 60 60 GLN H H 60 7.986 7.992 -0.006 1
1 395 . 20 1 1 A 60 60 GLN HA H 60 4.298 3.896 0.402 1
1 398 . 20 1 1 A 60 60 GLN N N 60 119.027 118.902 0.125 1
1 400 . 20 1 1 A 61 61 SER H H 61 6.630 7.562 -0.932 1
1 401 . 20 1 1 A 61 61 SER HA H 61 3.880 4.446 -0.566 1
1 404 . 20 1 1 A 61 61 SER N N 61 114.913 115.169 -0.256 1
1 405 . 20 1 1 A 62 62 ALA H H 62 9.027 8.853 0.174 1
1 406 . 20 1 1 A 62 62 ALA HA H 62 4.435 4.554 -0.119 1
1 410 . 20 1 1 A 62 62 ALA N N 62 129.628 126.005 3.623 1
1 411 . 20 1 1 A 63 63 ASP H H 63 8.080 8.006 0.074 1
1 412 . 20 1 1 A 63 63 ASP HA H 63 4.895 4.747 0.148 1
1 415 . 20 1 1 A 63 63 ASP N N 63 121.506 116.232 5.274 1
1 416 . 20 1 1 A 64 64 CYS H H 64 8.924 8.532 0.392 1
1 417 . 20 1 1 A 64 64 CYS HA H 64 5.403 5.193 0.210 1
1 420 . 20 1 1 A 64 64 CYS N N 64 125.936 119.527 6.409 1
1 421 . 20 1 1 A 65 65 PRO HA H 65 4.375 4.579 -0.204 1
1 428 . 20 1 1 A 66 66 ARG H H 66 8.203 8.672 -0.469 1
1 429 . 20 1 1 A 66 66 ARG HA H 66 4.362 4.740 -0.378 1
1 436 . 20 1 1 A 66 66 ARG N N 66 123.580 121.031 2.549 1
1 437 . 20 1 1 A 67 67 TYR H H 67 8.650 8.099 0.551 1
1 438 . 20 1 1 A 67 67 TYR HA H 67 4.459 4.549 -0.090 1
1 445 . 20 1 1 A 67 67 TYR N N 67 128.872 124.093 4.779 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 60 0.509 1
5 1 1 1 "RMS(OBS, PRED)" HA 71 0.344 1
6 1 1 1 "RMS(OBS, PRED)" N 60 4.879 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 60 0.555 1
11 1 2 1 "RMS(OBS, PRED)" HA 71 0.341 1
12 1 2 1 "RMS(OBS, PRED)" N 60 4.726 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 60 0.529 1
17 1 3 1 "RMS(OBS, PRED)" HA 71 0.331 1
18 1 3 1 "RMS(OBS, PRED)" N 60 4.784 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 60 0.519 1
23 1 4 1 "RMS(OBS, PRED)" HA 71 0.334 1
24 1 4 1 "RMS(OBS, PRED)" N 60 4.858 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 60 0.598 1
29 1 5 1 "RMS(OBS, PRED)" HA 71 0.360 1
30 1 5 1 "RMS(OBS, PRED)" N 60 4.659 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 60 0.532 1
35 1 6 1 "RMS(OBS, PRED)" HA 71 0.320 1
36 1 6 1 "RMS(OBS, PRED)" N 60 4.560 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 60 0.523 1
41 1 7 1 "RMS(OBS, PRED)" HA 71 0.319 1
42 1 7 1 "RMS(OBS, PRED)" N 60 4.711 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 60 0.525 1
47 1 8 1 "RMS(OBS, PRED)" HA 71 0.329 1
48 1 8 1 "RMS(OBS, PRED)" N 60 4.953 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 60 0.577 1
53 1 9 1 "RMS(OBS, PRED)" HA 71 0.356 1
54 1 9 1 "RMS(OBS, PRED)" N 60 4.870 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 60 0.543 1
59 1 10 1 "RMS(OBS, PRED)" HA 71 0.345 1
60 1 10 1 "RMS(OBS, PRED)" N 60 4.866 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 0 0.000 1
63 1 11 1 "RMS(OBS, PRED)" CB 0 0.000 1
64 1 11 1 "RMS(OBS, PRED)" H 60 0.558 1
65 1 11 1 "RMS(OBS, PRED)" HA 71 0.354 1
66 1 11 1 "RMS(OBS, PRED)" N 60 4.702 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 0 0.000 1
69 1 12 1 "RMS(OBS, PRED)" CB 0 0.000 1
70 1 12 1 "RMS(OBS, PRED)" H 60 0.542 1
71 1 12 1 "RMS(OBS, PRED)" HA 71 0.340 1
72 1 12 1 "RMS(OBS, PRED)" N 60 5.080 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 0 0.000 1
75 1 13 1 "RMS(OBS, PRED)" CB 0 0.000 1
76 1 13 1 "RMS(OBS, PRED)" H 60 0.513 1
77 1 13 1 "RMS(OBS, PRED)" HA 71 0.344 1
78 1 13 1 "RMS(OBS, PRED)" N 60 4.394 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 0 0.000 1
81 1 14 1 "RMS(OBS, PRED)" CB 0 0.000 1
82 1 14 1 "RMS(OBS, PRED)" H 60 0.635 1
83 1 14 1 "RMS(OBS, PRED)" HA 71 0.333 1
84 1 14 1 "RMS(OBS, PRED)" N 60 5.174 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 0 0.000 1
87 1 15 1 "RMS(OBS, PRED)" CB 0 0.000 1
88 1 15 1 "RMS(OBS, PRED)" H 60 0.542 1
89 1 15 1 "RMS(OBS, PRED)" HA 71 0.327 1
90 1 15 1 "RMS(OBS, PRED)" N 60 4.565 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 0 0.000 1
93 1 16 1 "RMS(OBS, PRED)" CB 0 0.000 1
94 1 16 1 "RMS(OBS, PRED)" H 60 0.450 1
95 1 16 1 "RMS(OBS, PRED)" HA 71 0.318 1
96 1 16 1 "RMS(OBS, PRED)" N 60 5.021 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 0 0.000 1
99 1 17 1 "RMS(OBS, PRED)" CB 0 0.000 1
100 1 17 1 "RMS(OBS, PRED)" H 60 0.473 1
101 1 17 1 "RMS(OBS, PRED)" HA 71 0.318 1
102 1 17 1 "RMS(OBS, PRED)" N 60 4.750 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 0 0.000 1
105 1 18 1 "RMS(OBS, PRED)" CB 0 0.000 1
106 1 18 1 "RMS(OBS, PRED)" H 60 0.512 1
107 1 18 1 "RMS(OBS, PRED)" HA 71 0.331 1
108 1 18 1 "RMS(OBS, PRED)" N 60 4.977 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 0 0.000 1
111 1 19 1 "RMS(OBS, PRED)" CB 0 0.000 1
112 1 19 1 "RMS(OBS, PRED)" H 60 0.506 1
113 1 19 1 "RMS(OBS, PRED)" HA 71 0.343 1
114 1 19 1 "RMS(OBS, PRED)" N 60 4.767 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 0 0.000 1
117 1 20 1 "RMS(OBS, PRED)" CB 0 0.000 1
118 1 20 1 "RMS(OBS, PRED)" H 60 0.551 1
119 1 20 1 "RMS(OBS, PRED)" HA 71 0.339 1
120 1 20 1 "RMS(OBS, PRED)" N 60 4.561 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 5 . 1 1 A 2 2 LYS H H 2 8.331 8.371 -0.040 2
1 10 . 1 1 A 2 2 LYS N N 2 125.285 121.681 3.604 2
1 11 . 1 1 A 3 3 GLU H H 3 8.659 8.452 0.207 2
1 12 . 1 1 A 3 3 GLU HA H 3 4.322 4.494 -0.172 2
1 17 . 1 1 A 3 3 GLU N N 3 125.356 120.234 5.122 2
1 18 . 1 1 A 4 4 CYS H H 4 8.116 7.775 0.341 2
1 19 . 1 1 A 4 4 CYS HA H 4 4.975 5.453 -0.478 2
1 22 . 1 1 A 4 4 CYS N N 4 123.773 118.181 5.592 2
1 23 . 1 1 A 5 5 ASP H H 5 8.776 9.230 -0.454 2
1 24 . 1 1 A 5 5 ASP HA H 5 4.817 4.760 0.057 2
1 27 . 1 1 A 5 5 ASP N N 5 123.756 125.470 -1.714 2
1 28 . 1 1 A 6 6 CYS H H 6 6.975 7.462 -0.487 2
1 29 . 1 1 A 6 6 CYS HA H 6 4.931 4.879 0.052 2
1 32 . 1 1 A 6 6 CYS N N 6 116.724 115.528 1.196 2
1 33 . 1 1 A 7 7 SER H H 7 9.659 8.745 0.915 2
1 34 . 1 1 A 7 7 SER HA H 7 4.226 4.614 -0.388 2
1 37 . 1 1 A 7 7 SER N N 7 123.545 118.399 5.146 2
1 38 . 1 1 A 8 8 SER H H 8 7.862 7.596 0.266 2
1 39 . 1 1 A 8 8 SER HA H 8 5.137 4.779 0.358 2
1 42 . 1 1 A 8 8 SER N N 8 119.712 116.830 2.882 2
1 43 . 1 1 A 9 9 PRO HA H 9 4.559 4.525 0.034 2
1 50 . 1 1 A 10 10 GLU H H 10 8.244 8.456 -0.212 2
1 51 . 1 1 A 10 10 GLU HA H 10 4.294 4.346 -0.052 2
1 56 . 1 1 A 10 10 GLU N N 10 120.855 116.769 4.086 2
1 57 . 1 1 A 11 11 ASN H H 11 7.260 7.609 -0.349 2
1 58 . 1 1 A 11 11 ASN HA H 11 4.794 4.864 -0.070 2
1 63 . 1 1 A 11 11 ASN N N 11 124.776 120.054 4.722 2
1 65 . 1 1 A 12 12 PRO HA H 12 4.704 4.456 0.248 2
1 72 . 1 1 A 13 13 CYS H H 13 8.931 8.452 0.479 2
1 73 . 1 1 A 13 13 CYS HA H 13 4.648 4.459 0.189 2
1 76 . 1 1 A 13 13 CYS N N 13 121.945 114.781 7.165 2
1 77 . 1 1 A 14 14 CYS H H 14 7.543 7.557 -0.014 2
1 78 . 1 1 A 14 14 CYS HA H 14 5.056 5.236 -0.180 2
1 81 . 1 1 A 14 14 CYS N N 14 116.460 116.417 0.043 2
1 82 . 1 1 A 15 15 ASP H H 15 8.212 9.424 -1.212 2
1 83 . 1 1 A 15 15 ASP HA H 15 4.570 4.697 -0.127 2
1 86 . 1 1 A 15 15 ASP N N 15 125.197 124.099 1.098 2
1 87 . 1 1 A 16 16 ALA H H 16 8.996 9.042 -0.046 2
1 88 . 1 1 A 16 16 ALA HA H 16 4.148 4.024 0.124 2
1 92 . 1 1 A 16 16 ALA N N 16 135.341 129.170 6.171 2
1 93 . 1 1 A 17 17 ALA H H 17 8.669 7.893 0.776 2
1 94 . 1 1 A 17 17 ALA HA H 17 4.361 4.087 0.274 2
1 98 . 1 1 A 17 17 ALA N N 17 121.910 119.388 2.522 2
1 99 . 1 1 A 18 18 THR H H 18 7.743 7.753 -0.010 2
1 100 . 1 1 A 18 18 THR HA H 18 4.445 4.408 0.037 2
1 105 . 1 1 A 18 18 THR N N 18 109.481 108.189 1.292 2
1 106 . 1 1 A 19 19 CYS H H 19 8.601 8.301 0.300 2
1 107 . 1 1 A 19 19 CYS HA H 19 4.642 4.210 0.432 2
1 110 . 1 1 A 19 19 CYS N N 19 123.176 119.815 3.361 2
1 111 . 1 1 A 20 20 LYS H H 20 7.964 7.280 0.684 2
1 112 . 1 1 A 20 20 LYS HA H 20 4.945 4.843 0.102 2
1 117 . 1 1 A 20 20 LYS N N 20 122.525 119.635 2.890 2
1 118 . 1 1 A 21 21 LEU H H 21 9.211 8.727 0.484 2
1 119 . 1 1 A 21 21 LEU HA H 21 4.285 4.490 -0.206 2
1 129 . 1 1 A 21 21 LEU N N 21 124.582 122.187 2.395 2
1 130 . 1 1 A 22 22 ARG H H 22 8.490 8.455 0.035 2
1 131 . 1 1 A 22 22 ARG HA H 22 4.448 4.309 0.139 2
1 137 . 1 1 A 22 22 ARG N N 22 126.604 125.670 0.934 2
1 139 . 1 1 A 23 23 PRO HA H 23 4.389 4.503 -0.114 2
1 144 . 1 1 A 24 24 GLY H H 24 8.830 8.344 0.486 2
1 145 . 1 1 A 24 24 GLY HA2 H 24 4.295 3.894 0.401 2
1 146 . 1 1 A 24 24 GLY HA3 H 24 3.664 3.896 -0.232 2
1 147 . 1 1 A 24 24 GLY N N 24 117.708 106.394 11.314 2
1 148 . 1 1 A 25 25 ALA H H 25 7.942 7.816 0.126 2
1 149 . 1 1 A 25 25 ALA HA H 25 4.540 4.225 0.315 2
1 153 . 1 1 A 25 25 ALA N N 25 127.553 123.018 4.535 2
1 154 . 1 1 A 26 26 GLN H H 26 8.827 8.601 0.226 2
1 155 . 1 1 A 26 26 GLN HA H 26 4.113 4.037 0.076 2
1 162 . 1 1 A 26 26 GLN N N 26 122.086 119.794 2.292 2
1 164 . 1 1 A 27 27 CYS H H 27 7.805 7.343 0.462 2
1 165 . 1 1 A 27 27 CYS HA H 27 4.555 4.725 -0.170 2
1 168 . 1 1 A 27 27 CYS N N 27 117.409 113.898 3.511 2
1 169 . 1 1 A 28 28 GLY H H 28 9.163 8.685 0.478 2
1 170 . 1 1 A 28 28 GLY HA2 H 28 4.446 3.889 0.557 2
1 171 . 1 1 A 28 28 GLY HA3 H 28 3.574 3.903 -0.329 2
1 172 . 1 1 A 28 28 GLY N N 28 109.041 111.732 -2.691 2
1 173 . 1 1 A 29 29 GLU H H 29 7.844 7.721 0.123 2
1 174 . 1 1 A 29 29 GLU HA H 29 4.782 4.752 0.030 2
1 179 . 1 1 A 29 29 GLU N N 29 122.174 116.593 5.581 2
1 180 . 1 1 A 30 30 GLY H H 30 8.391 8.440 -0.049 2
1 181 . 1 1 A 30 30 GLY HA2 H 30 4.915 4.268 0.647 2
1 182 . 1 1 A 30 30 GLY HA3 H 30 3.925 4.285 -0.360 2
1 183 . 1 1 A 30 30 GLY N N 30 112.663 108.970 3.693 2
1 184 . 1 1 A 31 31 LEU H H 31 8.960 8.699 0.261 2
1 185 . 1 1 A 31 31 LEU HA H 31 4.354 4.038 0.316 2
1 195 . 1 1 A 31 31 LEU N N 31 125.039 119.711 5.328 2
1 196 . 1 1 A 32 32 CYS H H 32 8.467 8.579 -0.112 2
1 197 . 1 1 A 32 32 CYS HA H 32 5.108 4.728 0.380 2
1 200 . 1 1 A 32 32 CYS N N 32 119.167 114.601 4.566 2
1 201 . 1 1 A 33 33 CYS H H 33 7.365 7.844 -0.479 2
1 202 . 1 1 A 33 33 CYS HA H 33 5.291 5.473 -0.182 2
1 205 . 1 1 A 33 33 CYS N N 33 125.303 120.723 4.580 2
1 206 . 1 1 A 34 34 GLU H H 34 9.742 8.631 1.111 2
1 207 . 1 1 A 34 34 GLU HA H 34 4.682 4.733 -0.051 2
1 212 . 1 1 A 34 34 GLU N N 34 132.652 125.909 6.743 2
1 213 . 1 1 A 35 35 GLN H H 35 9.453 9.390 0.063 2
1 214 . 1 1 A 35 35 GLN HA H 35 3.999 3.918 0.081 2
1 219 . 1 1 A 35 35 GLN N N 35 129.593 123.567 6.026 2
1 221 . 1 1 A 36 36 CYS H H 36 8.492 8.414 0.078 2
1 222 . 1 1 A 36 36 CYS HA H 36 4.801 4.426 0.375 2
1 225 . 1 1 A 36 36 CYS N N 36 109.569 109.983 -0.414 2
1 226 . 1 1 A 37 37 LYS H H 37 8.024 7.453 0.571 2
1 227 . 1 1 A 37 37 LYS HA H 37 4.703 4.686 0.017 2
1 236 . 1 1 A 37 37 LYS N N 37 125.110 119.163 5.947 2
1 237 . 1 1 A 38 38 PHE H H 38 8.276 8.444 -0.168 2
1 238 . 1 1 A 38 38 PHE HA H 38 5.141 4.544 0.597 2
1 245 . 1 1 A 38 38 PHE N N 38 123.897 120.678 3.219 2
1 246 . 1 1 A 39 39 SER H H 39 9.044 8.627 0.417 2
1 247 . 1 1 A 39 39 SER HA H 39 4.274 4.535 -0.262 2
1 250 . 1 1 A 39 39 SER N N 39 125.655 119.575 6.081 2
1 251 . 1 1 A 40 40 ARG H H 40 8.573 8.533 0.040 2
1 252 . 1 1 A 40 40 ARG HA H 40 4.101 4.781 -0.680 2
1 259 . 1 1 A 40 40 ARG N N 40 125.848 120.881 4.967 2
1 260 . 1 1 A 41 41 ALA H H 41 8.501 8.539 -0.038 2
1 261 . 1 1 A 41 41 ALA HA H 41 3.724 4.486 -0.762 2
1 265 . 1 1 A 41 41 ALA N N 41 127.729 125.538 2.191 2
1 266 . 1 1 A 42 42 GLY H H 42 8.619 8.635 -0.016 2
1 267 . 1 1 A 42 42 GLY HA2 H 42 4.486 3.855 0.631 2
1 268 . 1 1 A 42 42 GLY HA3 H 42 3.587 3.860 -0.273 2
1 269 . 1 1 A 42 42 GLY N N 42 114.579 109.359 5.220 2
1 270 . 1 1 A 43 43 LYS H H 43 7.535 7.353 0.182 2
1 271 . 1 1 A 43 43 LYS HA H 43 4.149 4.618 -0.469 2
1 280 . 1 1 A 43 43 LYS N N 43 126.780 121.081 5.699 2
1 281 . 1 1 A 44 44 ILE H H 44 8.810 8.623 0.187 2
1 282 . 1 1 A 44 44 ILE HA H 44 4.167 4.610 -0.443 2
1 290 . 1 1 A 44 44 ILE N N 44 133.179 126.596 6.583 2
1 291 . 1 1 A 45 45 CYS H H 45 9.355 9.220 0.135 2
1 292 . 1 1 A 45 45 CYS HA H 45 5.160 4.795 0.365 2
1 295 . 1 1 A 45 45 CYS N N 45 127.500 124.933 2.567 2
1 296 . 1 1 A 46 46 ARG H H 46 7.675 7.604 0.071 2
1 297 . 1 1 A 46 46 ARG HA H 46 4.469 4.812 -0.343 2
1 304 . 1 1 A 46 46 ARG N N 46 126.375 119.518 6.857 2
1 305 . 1 1 A 47 47 ILE H H 47 8.400 8.832 -0.432 2
1 306 . 1 1 A 47 47 ILE HA H 47 4.663 4.720 -0.057 2
1 316 . 1 1 A 47 47 ILE N N 47 129.510 123.990 5.520 2
1 317 . 1 1 A 48 48 PRO HA H 48 4.491 4.826 -0.335 2
1 324 . 1 1 A 49 49 ARG H H 49 8.331 8.566 -0.235 2
1 325 . 1 1 A 49 49 ARG HA H 49 4.398 4.513 -0.115 2
1 332 . 1 1 A 49 49 ARG N N 49 122.965 121.074 1.891 2
1 333 . 1 1 A 50 50 GLY H H 50 8.426 8.131 0.295 2
1 334 . 1 1 A 50 50 GLY HA2 H 50 3.958 4.066 -0.108 2
1 335 . 1 1 A 50 50 GLY HA3 H 50 3.915 4.068 -0.153 2
1 336 . 1 1 A 50 50 GLY N N 50 114.157 110.066 4.091 2
1 337 . 1 1 A 51 51 GLU H H 51 8.753 8.499 0.253 2
1 338 . 1 1 A 51 51 GLU HA H 51 4.345 4.314 0.031 2
1 343 . 1 1 A 51 51 GLU N N 51 125.370 120.335 5.035 2
1 344 . 1 1 A 52 52 MET H H 52 7.745 7.789 -0.044 2
1 345 . 1 1 A 52 52 MET HA H 52 4.839 4.874 -0.035 2
1 350 . 1 1 A 52 52 MET N N 52 125.080 119.597 5.483 2
1 351 . 1 1 A 53 53 PRO HA H 53 4.485 4.558 -0.073 2
1 358 . 1 1 A 54 54 ASP H H 54 8.114 8.359 -0.245 2
1 359 . 1 1 A 54 54 ASP HA H 54 4.577 4.890 -0.313 2
1 362 . 1 1 A 54 54 ASP N N 54 122.385 121.445 0.940 2
1 363 . 1 1 A 55 55 ASP H H 55 8.388 8.596 -0.208 2
1 364 . 1 1 A 55 55 ASP HA H 55 5.052 5.087 -0.035 2
1 367 . 1 1 A 55 55 ASP N N 55 124.758 122.580 2.178 2
1 368 . 1 1 A 56 56 ARG H H 56 8.358 8.891 -0.533 2
1 369 . 1 1 A 56 56 ARG HA H 56 5.332 5.338 -0.006 2
1 376 . 1 1 A 56 56 ARG N N 56 123.703 123.629 0.074 2
1 378 . 1 1 A 57 57 CYS H H 57 9.377 9.783 -0.406 2
1 379 . 1 1 A 57 57 CYS HA H 57 4.862 4.598 0.264 2
1 382 . 1 1 A 57 57 CYS N N 57 123.897 123.499 0.398 2
1 383 . 1 1 A 58 58 THR H H 58 10.180 8.541 1.639 2
1 384 . 1 1 A 58 58 THR HA H 58 4.442 4.580 -0.138 2
1 389 . 1 1 A 58 58 THR N N 58 117.445 115.228 2.217 2
1 390 . 1 1 A 59 59 GLY H H 59 8.546 7.787 0.759 2
1 391 . 1 1 A 59 59 GLY HA2 H 59 4.460 3.982 0.478 2
1 392 . 1 1 A 59 59 GLY HA3 H 59 4.460 4.000 0.460 2
1 393 . 1 1 A 59 59 GLY N N 59 115.880 110.518 5.362 2
1 394 . 1 1 A 60 60 GLN H H 60 7.986 8.091 -0.105 2
1 395 . 1 1 A 60 60 GLN HA H 60 4.298 4.216 0.082 2
1 398 . 1 1 A 60 60 GLN N N 60 119.027 118.638 0.389 2
1 400 . 1 1 A 61 61 SER H H 61 6.630 7.524 -0.894 2
1 401 . 1 1 A 61 61 SER HA H 61 3.880 4.425 -0.545 2
1 404 . 1 1 A 61 61 SER N N 61 114.913 115.838 -0.925 2
1 405 . 1 1 A 62 62 ALA H H 62 9.027 8.566 0.461 2
1 406 . 1 1 A 62 62 ALA HA H 62 4.435 4.395 0.040 2
1 410 . 1 1 A 62 62 ALA N N 62 129.628 127.964 1.664 2
1 411 . 1 1 A 63 63 ASP H H 63 8.080 7.936 0.144 2
1 412 . 1 1 A 63 63 ASP HA H 63 4.895 4.806 0.089 2
1 415 . 1 1 A 63 63 ASP N N 63 121.506 116.172 5.334 2
1 416 . 1 1 A 64 64 CYS H H 64 8.924 8.576 0.348 2
1 417 . 1 1 A 64 64 CYS HA H 64 5.403 5.157 0.246 2
1 420 . 1 1 A 64 64 CYS N N 64 125.936 119.174 6.762 2
1 421 . 1 1 A 65 65 PRO HA H 65 4.375 4.573 -0.198 2
1 428 . 1 1 A 66 66 ARG H H 66 8.203 8.328 -0.125 2
1 429 . 1 1 A 66 66 ARG HA H 66 4.362 4.755 -0.393 2
1 436 . 1 1 A 66 66 ARG N N 66 123.580 119.015 4.565 2
1 437 . 1 1 A 67 67 TYR H H 67 8.650 8.587 0.063 2
1 438 . 1 1 A 67 67 TYR HA H 67 4.459 4.596 -0.137 2
1 445 . 1 1 A 67 67 TYR N N 67 128.872 122.254 6.618 2
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