data_16319_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16319
_Entry.PDB_ID 2KJF
_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 18 . 1 1 1 A 2 2 VAL H H 2 8.475 8.160 0.315 1
1 19 . 1 1 1 A 2 2 VAL HA H 2 4.528 3.906 0.622 1
1 27 . 1 1 1 A 2 2 VAL C C 2 181.462 178.053 3.409 1
1 28 . 1 1 1 A 2 2 VAL CA C 2 65.162 66.594 -1.432 1
1 29 . 1 1 1 A 2 2 VAL CB C 2 31.895 31.573 0.322 1
1 32 . 1 1 1 A 2 2 VAL N N 2 121.849 117.217 4.632 1
1 33 . 1 1 1 A 3 3 ALA H H 3 8.256 8.506 -0.250 1
1 34 . 1 1 1 A 3 3 ALA HA H 3 4.173 4.156 0.017 1
1 38 . 1 1 1 A 3 3 ALA C C 3 179.402 179.488 -0.086 1
1 39 . 1 1 1 A 3 3 ALA CA C 3 54.725 54.992 -0.267 1
1 40 . 1 1 1 A 3 3 ALA CB C 3 17.784 18.227 -0.443 1
1 41 . 1 1 1 A 3 3 ALA N N 3 124.615 121.562 3.053 1
1 42 . 1 1 1 A 4 4 TYR H H 4 7.717 8.086 -0.369 1
1 43 . 1 1 1 A 4 4 TYR HA H 4 4.465 4.251 0.214 1
1 48 . 1 1 1 A 4 4 TYR C C 4 177.710 175.921 1.789 1
1 49 . 1 1 1 A 4 4 TYR CA C 4 58.648 61.328 -2.680 1
1 50 . 1 1 1 A 4 4 TYR CB C 4 38.838 39.585 -0.747 1
1 53 . 1 1 1 A 4 4 TYR N N 4 117.777 120.912 -3.135 1
1 54 . 1 1 1 A 5 5 GLY H H 5 7.942 8.042 -0.100 1
1 55 . 1 1 1 A 5 5 GLY HA2 H 5 4.373 3.852 0.521 1
1 56 . 1 1 1 A 5 5 GLY HA3 H 5 3.699 3.985 -0.286 1
1 57 . 1 1 1 A 5 5 GLY C C 5 174.273 174.801 -0.528 1
1 58 . 1 1 1 A 5 5 GLY CA C 5 45.019 45.340 -0.321 1
1 59 . 1 1 1 A 5 5 GLY N N 5 105.556 106.798 -1.242 1
1 60 . 1 1 1 A 6 6 ILE H H 6 7.844 7.777 0.067 1
1 61 . 1 1 1 A 6 6 ILE HA H 6 4.135 4.112 0.023 1
1 71 . 1 1 1 A 6 6 ILE C C 6 174.476 176.536 -2.060 1
1 72 . 1 1 1 A 6 6 ILE CA C 6 59.997 61.438 -1.441 1
1 73 . 1 1 1 A 6 6 ILE CB C 6 37.498 38.082 -0.584 1
1 77 . 1 1 1 A 6 6 ILE N N 6 123.172 122.193 0.979 1
1 78 . 1 1 1 A 7 7 ALA H H 7 8.361 8.719 -0.358 1
1 79 . 1 1 1 A 7 7 ALA HA H 7 4.205 4.256 -0.051 1
1 83 . 1 1 1 A 7 7 ALA C C 7 178.710 178.800 -0.090 1
1 84 . 1 1 1 A 7 7 ALA CA C 7 52.736 52.610 0.126 1
1 85 . 1 1 1 A 7 7 ALA CB C 7 19.343 19.421 -0.078 1
1 86 . 1 1 1 A 7 7 ALA N N 7 128.201 129.485 -1.284 1
1 87 . 1 1 1 A 8 8 GLN H H 8 8.929 8.761 0.168 1
1 88 . 1 1 1 A 8 8 GLN HA H 8 3.670 4.078 -0.408 1
1 95 . 1 1 1 A 8 8 GLN C C 8 177.362 178.314 -0.952 1
1 96 . 1 1 1 A 8 8 GLN CA C 8 60.337 58.180 2.157 1
1 97 . 1 1 1 A 8 8 GLN CB C 8 28.290 28.194 0.096 1
1 100 . 1 1 1 A 8 8 GLN N N 8 121.784 121.692 0.092 1
1 102 . 1 1 1 A 9 9 GLY H H 9 9.034 8.268 0.766 1
1 103 . 1 1 1 A 9 9 GLY HA2 H 9 3.891 3.654 0.237 1
1 104 . 1 1 1 A 9 9 GLY C C 9 177.273 176.364 0.909 1
1 105 . 1 1 1 A 9 9 GLY CA C 9 47.126 47.480 -0.354 1
1 106 . 1 1 1 A 9 9 GLY N N 9 105.262 109.302 -4.040 1
1 107 . 1 1 1 A 10 10 THR H H 10 7.254 8.176 -0.922 1
1 108 . 1 1 1 A 10 10 THR HA H 10 4.010 4.072 -0.062 1
1 113 . 1 1 1 A 10 10 THR C C 10 175.476 176.266 -0.790 1
1 114 . 1 1 1 A 10 10 THR CA C 10 65.939 65.454 0.485 1
1 115 . 1 1 1 A 10 10 THR CB C 10 68.252 68.641 -0.389 1
1 117 . 1 1 1 A 10 10 THR N N 10 118.993 116.798 2.195 1
1 118 . 1 1 1 A 11 11 ALA H H 11 9.152 8.400 0.752 1
1 119 . 1 1 1 A 11 11 ALA HA H 11 3.759 4.091 -0.332 1
1 123 . 1 1 1 A 11 11 ALA C C 11 178.878 180.493 -1.615 1
1 124 . 1 1 1 A 11 11 ALA CA C 11 55.756 55.787 -0.031 1
1 125 . 1 1 1 A 11 11 ALA CB C 11 19.820 18.322 1.498 1
1 126 . 1 1 1 A 11 11 ALA N N 11 126.026 123.579 2.447 1
1 127 . 1 1 1 A 12 12 GLU H H 12 8.442 7.843 0.599 1
1 128 . 1 1 1 A 12 12 GLU HA H 12 3.748 4.052 -0.304 1
1 133 . 1 1 1 A 12 12 GLU C C 12 179.309 179.458 -0.149 1
1 134 . 1 1 1 A 12 12 GLU CA C 12 59.899 59.538 0.361 1
1 135 . 1 1 1 A 12 12 GLU CB C 12 29.713 29.262 0.451 1
1 137 . 1 1 1 A 12 12 GLU N N 12 115.831 118.335 -2.504 1
1 138 . 1 1 1 A 13 13 LYS H H 13 7.253 7.724 -0.471 1
1 139 . 1 1 1 A 13 13 LYS HA H 13 4.147 4.039 0.108 1
1 145 . 1 1 1 A 13 13 LYS C C 13 178.842 179.572 -0.730 1
1 146 . 1 1 1 A 13 13 LYS CA C 13 59.198 59.367 -0.169 1
1 147 . 1 1 1 A 13 13 LYS CB C 13 32.678 32.172 0.506 1
1 150 . 1 1 1 A 13 13 LYS N N 13 119.708 119.418 0.290 1
1 151 . 1 1 1 A 14 14 VAL H H 14 8.649 8.423 0.226 1
1 152 . 1 1 1 A 14 14 VAL HA H 14 3.368 3.708 -0.340 1
1 160 . 1 1 1 A 14 14 VAL C C 14 177.806 178.311 -0.505 1
1 161 . 1 1 1 A 14 14 VAL CA C 14 67.448 66.325 1.123 1
1 162 . 1 1 1 A 14 14 VAL CB C 14 31.423 31.655 -0.232 1
1 165 . 1 1 1 A 14 14 VAL N N 14 119.012 120.028 -1.016 1
1 166 . 1 1 1 A 15 15 VAL H H 15 8.172 8.498 -0.326 1
1 167 . 1 1 1 A 15 15 VAL HA H 15 3.418 3.580 -0.162 1
1 175 . 1 1 1 A 15 15 VAL C C 15 177.325 178.356 -1.031 1
1 176 . 1 1 1 A 15 15 VAL CA C 15 67.632 66.598 1.034 1
1 177 . 1 1 1 A 15 15 VAL CB C 15 31.168 31.474 -0.306 1
1 180 . 1 1 1 A 15 15 VAL N N 15 117.226 120.717 -3.491 1
1 181 . 1 1 1 A 16 16 SER H H 16 7.804 7.669 0.135 1
1 182 . 1 1 1 A 16 16 SER HA H 16 4.232 4.172 0.060 1
1 185 . 1 1 1 A 16 16 SER C C 16 177.563 177.061 0.502 1
1 186 . 1 1 1 A 16 16 SER CA C 16 61.988 61.270 0.718 1
1 187 . 1 1 1 A 16 16 SER CB C 16 62.781 63.072 -0.291 1
1 188 . 1 1 1 A 16 16 SER N N 16 115.358 115.753 -0.395 1
1 189 . 1 1 1 A 17 17 LEU H H 17 8.089 8.071 0.018 1
1 190 . 1 1 1 A 17 17 LEU HA H 17 4.234 4.094 0.140 1
1 200 . 1 1 1 A 17 17 LEU C C 17 179.382 179.926 -0.544 1
1 201 . 1 1 1 A 17 17 LEU CA C 17 57.908 57.688 0.220 1
1 202 . 1 1 1 A 17 17 LEU CB C 17 41.459 41.422 0.037 1
1 206 . 1 1 1 A 17 17 LEU N N 17 121.995 122.557 -0.562 1
1 207 . 1 1 1 A 18 18 ILE H H 18 8.690 7.807 0.883 1
1 208 . 1 1 1 A 18 18 ILE HA H 18 3.799 3.660 0.139 1
1 218 . 1 1 1 A 18 18 ILE C C 18 181.545 178.017 3.528 1
1 219 . 1 1 1 A 18 18 ILE CA C 18 65.849 64.990 0.859 1
1 220 . 1 1 1 A 18 18 ILE CB C 18 37.844 37.287 0.557 1
1 224 . 1 1 1 A 18 18 ILE N N 18 121.273 120.923 0.350 1
1 225 . 1 1 1 A 19 19 ASN H H 19 8.663 7.997 0.666 1
1 226 . 1 1 1 A 19 19 ASN HA H 19 4.548 4.529 0.019 1
1 231 . 1 1 1 A 19 19 ASN C C 19 176.165 177.223 -1.058 1
1 232 . 1 1 1 A 19 19 ASN CA C 19 55.365 56.243 -0.878 1
1 233 . 1 1 1 A 19 19 ASN CB C 19 38.196 39.200 -1.004 1
1 235 . 1 1 1 A 19 19 ASN N N 19 120.662 120.259 0.403 1
1 237 . 1 1 1 A 20 20 ALA H H 20 7.564 7.266 0.298 1
1 238 . 1 1 1 A 20 20 ALA HA H 20 4.411 4.252 0.159 1
1 242 . 1 1 1 A 20 20 ALA C C 20 175.860 178.087 -2.227 1
1 243 . 1 1 1 A 20 20 ALA CA C 20 52.478 52.397 0.081 1
1 244 . 1 1 1 A 20 20 ALA CB C 20 18.668 19.602 -0.934 1
1 245 . 1 1 1 A 20 20 ALA N N 20 120.105 119.018 1.087 1
1 246 . 1 1 1 A 21 21 GLY H H 21 7.959 8.383 -0.424 1
1 247 . 1 1 1 A 21 21 GLY HA2 H 21 4.310 3.940 0.370 1
1 248 . 1 1 1 A 21 21 GLY HA3 H 21 3.804 3.947 -0.143 1
1 249 . 1 1 1 A 21 21 GLY C C 21 175.014 174.074 0.940 1
1 250 . 1 1 1 A 21 21 GLY CA C 21 45.286 45.393 -0.107 1
1 251 . 1 1 1 A 21 21 GLY N N 21 105.589 107.618 -2.029 1
1 252 . 1 1 1 A 22 22 LEU H H 22 7.529 7.702 -0.173 1
1 253 . 1 1 1 A 22 22 LEU HA H 22 4.462 4.362 0.100 1
1 263 . 1 1 1 A 22 22 LEU C C 22 177.271 177.160 0.111 1
1 264 . 1 1 1 A 22 22 LEU CA C 22 56.388 54.730 1.658 1
1 265 . 1 1 1 A 22 22 LEU CB C 22 42.442 42.625 -0.183 1
1 269 . 1 1 1 A 22 22 LEU N N 22 121.608 122.910 -1.302 1
1 270 . 1 1 1 A 23 23 THR H H 23 7.976 8.634 -0.658 1
1 271 . 1 1 1 A 23 23 THR HA H 23 4.335 4.706 -0.371 1
1 276 . 1 1 1 A 23 23 THR C C 23 175.978 175.607 0.371 1
1 277 . 1 1 1 A 23 23 THR CA C 23 60.185 60.755 -0.570 1
1 278 . 1 1 1 A 23 23 THR CB C 23 71.142 71.148 -0.006 1
1 280 . 1 1 1 A 23 23 THR N N 23 108.756 114.730 -5.974 1
1 281 . 1 1 1 A 24 24 VAL H H 24 8.201 8.714 -0.513 1
1 282 . 1 1 1 A 24 24 VAL HA H 24 3.337 3.638 -0.301 1
1 290 . 1 1 1 A 24 24 VAL C C 24 176.772 177.885 -1.113 1
1 291 . 1 1 1 A 24 24 VAL CA C 24 66.172 65.893 0.279 1
1 292 . 1 1 1 A 24 24 VAL CB C 24 30.752 31.463 -0.711 1
1 295 . 1 1 1 A 24 24 VAL N N 24 119.897 122.291 -2.394 1
1 296 . 1 1 1 A 25 25 GLY H H 25 8.328 8.283 0.045 1
1 297 . 1 1 1 A 25 25 GLY HA2 H 25 3.830 3.762 0.068 1
1 298 . 1 1 1 A 25 25 GLY HA3 H 25 3.722 3.778 -0.056 1
1 299 . 1 1 1 A 25 25 GLY C C 25 177.352 176.123 1.229 1
1 300 . 1 1 1 A 25 25 GLY CA C 25 46.824 47.416 -0.592 1
1 301 . 1 1 1 A 25 25 GLY N N 25 106.836 109.437 -2.601 1
1 302 . 1 1 1 A 26 26 SER H H 26 7.626 8.405 -0.779 1
1 303 . 1 1 1 A 26 26 SER HA H 26 4.286 4.124 0.162 1
1 306 . 1 1 1 A 26 26 SER C C 26 176.160 177.542 -1.382 1
1 307 . 1 1 1 A 26 26 SER CA C 26 61.829 61.250 0.579 1
1 308 . 1 1 1 A 26 26 SER CB C 26 63.022 62.588 0.434 1
1 309 . 1 1 1 A 26 26 SER N N 26 118.367 116.290 2.077 1
1 310 . 1 1 1 A 27 27 ILE H H 27 8.072 7.651 0.421 1
1 311 . 1 1 1 A 27 27 ILE HA H 27 3.494 3.527 -0.033 1
1 321 . 1 1 1 A 27 27 ILE C C 27 177.364 177.996 -0.632 1
1 322 . 1 1 1 A 27 27 ILE CA C 27 66.333 65.033 1.300 1
1 323 . 1 1 1 A 27 27 ILE CB C 27 38.065 37.672 0.393 1
1 327 . 1 1 1 A 27 27 ILE N N 27 122.663 122.773 -0.110 1
1 328 . 1 1 1 A 28 28 ILE H H 28 8.317 7.799 0.518 1
1 329 . 1 1 1 A 28 28 ILE HA H 28 3.790 3.659 0.131 1
1 339 . 1 1 1 A 28 28 ILE C C 28 179.278 177.834 1.444 1
1 340 . 1 1 1 A 28 28 ILE CA C 28 65.107 65.068 0.039 1
1 341 . 1 1 1 A 28 28 ILE CB C 28 38.185 37.370 0.815 1
1 345 . 1 1 1 A 28 28 ILE N N 28 119.722 119.701 0.021 1
1 346 . 1 1 1 A 29 29 SER H H 29 7.703 7.716 -0.013 1
1 347 . 1 1 1 A 29 29 SER HA H 29 4.185 4.096 0.089 1
1 349 . 1 1 1 A 29 29 SER C C 29 176.198 176.975 -0.777 1
1 350 . 1 1 1 A 29 29 SER CA C 29 61.588 61.551 0.037 1
1 351 . 1 1 1 A 29 29 SER CB C 29 63.021 62.925 0.096 1
1 352 . 1 1 1 A 29 29 SER N N 29 114.967 116.209 -1.242 1
1 353 . 1 1 1 A 30 30 ILE H H 30 7.798 7.407 0.391 1
1 354 . 1 1 1 A 30 30 ILE HA H 30 3.884 3.811 0.073 1
1 364 . 1 1 1 A 30 30 ILE C C 30 177.721 178.440 -0.719 1
1 365 . 1 1 1 A 30 30 ILE CA C 30 64.231 64.155 0.076 1
1 366 . 1 1 1 A 30 30 ILE CB C 30 39.382 36.524 2.858 1
1 370 . 1 1 1 A 30 30 ILE N N 30 120.517 122.063 -1.546 1
1 371 . 1 1 1 A 31 31 LEU H H 31 8.279 7.343 0.936 1
1 372 . 1 1 1 A 31 31 LEU HA H 31 4.362 4.026 0.336 1
1 382 . 1 1 1 A 31 31 LEU C C 31 178.475 177.372 1.103 1
1 383 . 1 1 1 A 31 31 LEU CA C 31 55.587 56.724 -1.137 1
1 384 . 1 1 1 A 31 31 LEU CB C 31 39.699 42.308 -2.609 1
1 388 . 1 1 1 A 31 31 LEU N N 31 117.941 120.204 -2.263 1
1 389 . 1 1 1 A 32 32 GLY H H 32 8.219 8.534 -0.315 1
1 390 . 1 1 1 A 32 32 GLY HA2 H 32 4.123 3.889 0.234 1
1 391 . 1 1 1 A 32 32 GLY HA3 H 32 3.878 3.892 -0.014 1
1 392 . 1 1 1 A 32 32 GLY C C 32 175.512 174.107 1.405 1
1 393 . 1 1 1 A 32 32 GLY CA C 32 45.604 46.823 -1.219 1
1 394 . 1 1 1 A 32 32 GLY N N 32 107.591 107.333 0.258 1
1 395 . 1 1 1 A 33 33 GLY H H 33 8.667 7.692 0.975 1
1 396 . 1 1 1 A 33 33 GLY HA2 H 33 4.062 4.082 -0.020 1
1 397 . 1 1 1 A 33 33 GLY HA3 H 33 3.879 4.083 -0.204 1
1 398 . 1 1 1 A 33 33 GLY C C 33 175.510 173.537 1.973 1
1 399 . 1 1 1 A 33 33 GLY CA C 33 46.603 45.818 0.785 1
1 400 . 1 1 1 A 33 33 GLY N N 33 109.700 105.841 3.859 1
1 401 . 1 1 1 A 34 34 VAL H H 34 8.049 8.570 -0.521 1
1 402 . 1 1 1 A 34 34 VAL HA H 34 4.309 4.166 0.143 1
1 410 . 1 1 1 A 34 34 VAL C C 34 176.726 176.622 0.104 1
1 411 . 1 1 1 A 34 34 VAL CA C 34 62.780 61.546 1.234 1
1 412 . 1 1 1 A 34 34 VAL CB C 34 32.022 30.822 1.200 1
1 415 . 1 1 1 A 34 34 VAL N N 34 117.737 117.368 0.369 1
1 416 . 1 1 1 A 35 35 THR H H 35 8.141 7.926 0.215 1
1 417 . 1 1 1 A 35 35 THR HA H 35 4.239 4.385 -0.146 1
1 422 . 1 1 1 A 35 35 THR C C 35 174.905 174.965 -0.060 1
1 423 . 1 1 1 A 35 35 THR CA C 35 62.571 62.354 0.217 1
1 424 . 1 1 1 A 35 35 THR CB C 35 69.247 69.411 -0.164 1
1 426 . 1 1 1 A 35 35 THR N N 35 111.884 116.775 -4.891 1
1 427 . 1 1 1 A 36 36 VAL H H 36 7.560 7.488 0.072 1
1 428 . 1 1 1 A 36 36 VAL HA H 36 3.940 3.979 -0.039 1
1 436 . 1 1 1 A 36 36 VAL C C 36 177.003 175.971 1.032 1
1 437 . 1 1 1 A 36 36 VAL CA C 36 64.440 63.206 1.234 1
1 438 . 1 1 1 A 36 36 VAL CB C 36 31.926 31.327 0.599 1
1 441 . 1 1 1 A 36 36 VAL N N 36 120.063 123.098 -3.035 1
1 442 . 1 1 1 A 37 37 GLY H H 37 8.427 8.125 0.302 1
1 443 . 1 1 1 A 37 37 GLY HA2 H 37 4.143 3.973 0.170 1
1 444 . 1 1 1 A 37 37 GLY HA3 H 37 4.077 3.989 0.088 1
1 445 . 1 1 1 A 37 37 GLY C C 37 176.084 175.413 0.671 1
1 446 . 1 1 1 A 37 37 GLY CA C 37 45.593 45.586 0.007 1
1 447 . 1 1 1 A 37 37 GLY N N 37 110.570 112.929 -2.359 1
1 448 . 1 1 1 A 38 38 LEU H H 38 8.157 7.915 0.242 1
1 449 . 1 1 1 A 38 38 LEU HA H 38 4.094 4.047 0.047 1
1 458 . 1 1 1 A 38 38 LEU C C 38 177.948 179.321 -1.373 1
1 459 . 1 1 1 A 38 38 LEU CA C 38 56.472 57.940 -1.468 1
1 460 . 1 1 1 A 38 38 LEU CB C 38 42.644 41.528 1.116 1
1 464 . 1 1 1 A 38 38 LEU N N 38 121.095 121.443 -0.348 1
1 465 . 1 1 1 A 39 39 SER H H 39 8.417 8.142 0.275 1
1 466 . 1 1 1 A 39 39 SER HA H 39 3.921 4.268 -0.347 1
1 469 . 1 1 1 A 39 39 SER C C 39 176.742 177.310 -0.568 1
1 470 . 1 1 1 A 39 39 SER CA C 39 62.250 62.747 -0.497 1
1 471 . 1 1 1 A 39 39 SER CB C 39 62.228 62.733 -0.505 1
1 472 . 1 1 1 A 39 39 SER N N 39 113.122 116.398 -3.276 1
1 473 . 1 1 1 A 40 40 GLY H H 40 8.169 8.277 -0.108 1
1 474 . 1 1 1 A 40 40 GLY HA2 H 40 4.108 3.927 0.181 1
1 475 . 1 1 1 A 40 40 GLY HA3 H 40 3.990 3.928 0.062 1
1 476 . 1 1 1 A 40 40 GLY C C 40 175.225 175.221 0.004 1
1 477 . 1 1 1 A 40 40 GLY CA C 40 46.354 46.668 -0.314 1
1 478 . 1 1 1 A 40 40 GLY N N 40 107.856 108.432 -0.576 1
1 479 . 1 1 1 A 41 41 VAL H H 41 7.321 7.739 -0.418 1
1 480 . 1 1 1 A 41 41 VAL HA H 41 4.482 4.112 0.370 1
1 488 . 1 1 1 A 41 41 VAL C C 41 176.112 177.678 -1.566 1
1 489 . 1 1 1 A 41 41 VAL CA C 41 61.490 62.558 -1.068 1
1 490 . 1 1 1 A 41 41 VAL CB C 41 33.211 32.352 0.859 1
1 493 . 1 1 1 A 41 41 VAL N N 41 114.922 117.540 -2.618 1
1 494 . 1 1 1 A 42 42 PHE H H 42 7.832 8.511 -0.679 1
1 495 . 1 1 1 A 42 42 PHE HA H 42 3.890 4.001 -0.111 1
1 501 . 1 1 1 A 42 42 PHE C C 42 176.656 177.140 -0.484 1
1 502 . 1 1 1 A 42 42 PHE CA C 42 62.384 61.813 0.571 1
1 503 . 1 1 1 A 42 42 PHE CB C 42 39.677 39.154 0.523 1
1 507 . 1 1 1 A 42 42 PHE N N 42 122.726 124.124 -1.398 1
1 508 . 1 1 1 A 43 43 THR H H 43 8.606 7.865 0.741 1
1 509 . 1 1 1 A 43 43 THR HA H 43 3.771 3.823 -0.052 1
1 514 . 1 1 1 A 43 43 THR C C 43 176.755 176.441 0.314 1
1 515 . 1 1 1 A 43 43 THR CA C 43 66.787 67.082 -0.295 1
1 516 . 1 1 1 A 43 43 THR CB C 43 68.302 68.457 -0.155 1
1 518 . 1 1 1 A 43 43 THR N N 43 113.613 115.883 -2.270 1
1 519 . 1 1 1 A 44 44 ALA H H 44 7.860 7.838 0.022 1
1 520 . 1 1 1 A 44 44 ALA HA H 44 4.203 4.063 0.140 1
1 524 . 1 1 1 A 44 44 ALA C C 44 181.044 180.149 0.895 1
1 525 . 1 1 1 A 44 44 ALA CA C 44 54.896 54.926 -0.030 1
1 526 . 1 1 1 A 44 44 ALA CB C 44 17.985 18.251 -0.266 1
1 527 . 1 1 1 A 44 44 ALA N N 44 125.406 124.145 1.261 1
1 528 . 1 1 1 A 45 45 VAL H H 45 8.391 7.645 0.746 1
1 529 . 1 1 1 A 45 45 VAL HA H 45 3.565 3.298 0.267 1
1 537 . 1 1 1 A 45 45 VAL C C 45 177.079 177.499 -0.420 1
1 538 . 1 1 1 A 45 45 VAL CA C 45 66.523 66.930 -0.407 1
1 539 . 1 1 1 A 45 45 VAL CB C 45 31.323 31.186 0.137 1
1 542 . 1 1 1 A 45 45 VAL N N 45 120.467 118.470 1.997 1
1 543 . 1 1 1 A 46 46 LYS H H 46 8.270 7.713 0.557 1
1 544 . 1 1 1 A 46 46 LYS HA H 46 3.699 3.830 -0.131 1
1 550 . 1 1 1 A 46 46 LYS C C 46 179.171 178.696 0.475 1
1 551 . 1 1 1 A 46 46 LYS CA C 46 60.606 59.160 1.446 1
1 552 . 1 1 1 A 46 46 LYS CB C 46 32.057 32.341 -0.284 1
1 556 . 1 1 1 A 46 46 LYS N N 46 120.461 120.022 0.439 1
1 557 . 1 1 1 A 47 47 ALA H H 47 7.854 7.990 -0.136 1
1 558 . 1 1 1 A 47 47 ALA HA H 47 4.192 4.038 0.154 1
1 562 . 1 1 1 A 47 47 ALA C C 47 179.565 179.905 -0.340 1
1 563 . 1 1 1 A 47 47 ALA CA C 47 54.782 54.833 -0.051 1
1 564 . 1 1 1 A 47 47 ALA CB C 47 18.004 18.390 -0.386 1
1 565 . 1 1 1 A 47 47 ALA N N 47 120.799 120.823 -0.024 1
1 566 . 1 1 1 A 48 48 ALA H H 48 7.931 7.570 0.361 1
1 567 . 1 1 1 A 48 48 ALA HA H 48 4.232 4.064 0.168 1
1 571 . 1 1 1 A 48 48 ALA C C 48 180.197 179.871 0.326 1
1 572 . 1 1 1 A 48 48 ALA CA C 48 55.028 55.170 -0.142 1
1 573 . 1 1 1 A 48 48 ALA CB C 48 17.968 17.998 -0.030 1
1 574 . 1 1 1 A 48 48 ALA N N 48 120.585 120.380 0.205 1
1 575 . 1 1 1 A 49 49 ILE H H 49 8.270 7.600 0.670 1
1 576 . 1 1 1 A 49 49 ILE HA H 49 3.190 3.516 -0.326 1
1 586 . 1 1 1 A 49 49 ILE C C 49 177.762 177.966 -0.204 1
1 587 . 1 1 1 A 49 49 ILE CA C 49 66.396 65.493 0.903 1
1 588 . 1 1 1 A 49 49 ILE CB C 49 38.698 37.657 1.041 1
1 592 . 1 1 1 A 49 49 ILE N N 49 118.535 119.085 -0.550 1
1 593 . 1 1 1 A 50 50 ALA H H 50 7.198 8.314 -1.116 1
1 594 . 1 1 1 A 50 50 ALA HA H 50 4.154 4.052 0.102 1
1 598 . 1 1 1 A 50 50 ALA C C 50 179.323 179.879 -0.556 1
1 599 . 1 1 1 A 50 50 ALA CA C 50 54.684 54.757 -0.073 1
1 600 . 1 1 1 A 50 50 ALA CB C 50 18.877 18.100 0.777 1
1 601 . 1 1 1 A 50 50 ALA N N 50 118.853 121.634 -2.781 1
1 602 . 1 1 1 A 51 51 LYS H H 51 8.047 7.865 0.182 1
1 603 . 1 1 1 A 51 51 LYS HA H 51 4.372 4.044 0.328 1
1 609 . 1 1 1 A 51 51 LYS C C 51 177.694 177.560 0.134 1
1 610 . 1 1 1 A 51 51 LYS CA C 51 57.678 58.619 -0.941 1
1 611 . 1 1 1 A 51 51 LYS CB C 51 34.279 32.806 1.473 1
1 615 . 1 1 1 A 51 51 LYS N N 51 114.606 118.331 -3.725 1
1 616 . 1 1 1 A 52 52 GLN H H 52 8.707 8.275 0.432 1
1 617 . 1 1 1 A 52 52 GLN HA H 52 4.592 4.495 0.097 1
1 624 . 1 1 1 A 52 52 GLN C C 52 176.792 176.173 0.619 1
1 625 . 1 1 1 A 52 52 GLN CA C 52 56.454 56.604 -0.150 1
1 626 . 1 1 1 A 52 52 GLN CB C 52 31.792 31.526 0.266 1
1 629 . 1 1 1 A 52 52 GLN N N 52 115.942 116.042 -0.100 1
1 631 . 1 1 1 A 53 53 GLY H H 53 8.045 7.325 0.720 1
1 632 . 1 1 1 A 53 53 GLY HA2 H 53 4.568 4.057 0.511 1
1 633 . 1 1 1 A 53 53 GLY HA3 H 53 4.066 4.059 0.007 1
1 634 . 1 1 1 A 53 53 GLY C C 53 173.741 174.559 -0.818 1
1 635 . 1 1 1 A 53 53 GLY CA C 53 44.553 45.913 -1.360 1
1 636 . 1 1 1 A 53 53 GLY N N 53 110.313 103.265 7.048 1
1 637 . 1 1 1 A 54 54 ILE H H 54 8.281 8.679 -0.398 1
1 638 . 1 1 1 A 54 54 ILE HA H 54 3.583 3.750 -0.167 1
1 648 . 1 1 1 A 54 54 ILE C C 54 177.313 177.958 -0.645 1
1 649 . 1 1 1 A 54 54 ILE CA C 54 65.253 64.223 1.030 1
1 650 . 1 1 1 A 54 54 ILE CB C 54 38.489 37.667 0.822 1
1 654 . 1 1 1 A 54 54 ILE N N 54 117.579 119.498 -1.919 1
1 655 . 1 1 1 A 55 55 LYS H H 55 8.334 8.295 0.039 1
1 656 . 1 1 1 A 55 55 LYS HA H 55 3.955 4.047 -0.092 1
1 663 . 1 1 1 A 55 55 LYS C C 55 180.026 178.713 1.313 1
1 664 . 1 1 1 A 55 55 LYS CA C 55 60.343 59.121 1.222 1
1 665 . 1 1 1 A 55 55 LYS CB C 55 31.693 32.275 -0.582 1
1 669 . 1 1 1 A 55 55 LYS N N 55 119.039 122.971 -3.932 1
1 670 . 1 1 1 A 56 56 LYS H H 56 7.987 7.872 0.115 1
1 671 . 1 1 1 A 56 56 LYS HA H 56 4.130 3.996 0.134 1
1 677 . 1 1 1 A 56 56 LYS C C 56 178.612 179.633 -1.021 1
1 678 . 1 1 1 A 56 56 LYS CA C 56 57.715 59.353 -1.638 1
1 679 . 1 1 1 A 56 56 LYS CB C 56 31.714 32.041 -0.327 1
1 683 . 1 1 1 A 56 56 LYS N N 56 119.113 119.860 -0.747 1
1 684 . 1 1 1 A 57 57 ALA H H 57 7.735 7.647 0.088 1
1 685 . 1 1 1 A 57 57 ALA HA H 57 3.911 3.978 -0.067 1
1 689 . 1 1 1 A 57 57 ALA C C 57 178.713 180.365 -1.652 1
1 690 . 1 1 1 A 57 57 ALA CA C 57 55.568 54.906 0.662 1
1 691 . 1 1 1 A 57 57 ALA CB C 57 19.922 18.316 1.606 1
1 692 . 1 1 1 A 57 57 ALA N N 57 122.357 121.445 0.912 1
1 693 . 1 1 1 A 58 58 ILE H H 58 8.257 7.678 0.579 1
1 694 . 1 1 1 A 58 58 ILE HA H 58 3.452 3.600 -0.148 1
1 704 . 1 1 1 A 58 58 ILE C C 58 177.688 177.881 -0.193 1
1 705 . 1 1 1 A 58 58 ILE CA C 58 66.157 65.413 0.744 1
1 706 . 1 1 1 A 58 58 ILE CB C 58 38.306 37.968 0.338 1
1 710 . 1 1 1 A 58 58 ILE N N 58 117.279 119.319 -2.040 1
1 711 . 1 1 1 A 59 59 GLN H H 59 7.752 8.399 -0.647 1
1 712 . 1 1 1 A 59 59 GLN HA H 59 3.916 4.176 -0.260 1
1 719 . 1 1 1 A 59 59 GLN C C 59 178.976 178.795 0.181 1
1 720 . 1 1 1 A 59 59 GLN CA C 59 59.112 58.684 0.428 1
1 721 . 1 1 1 A 59 59 GLN CB C 59 28.189 28.372 -0.183 1
1 724 . 1 1 1 A 59 59 GLN N N 59 117.533 118.636 -1.103 1
1 18 . 2 1 1 A 2 2 VAL H H 2 8.475 7.999 0.476 1
1 19 . 2 1 1 A 2 2 VAL HA H 2 4.528 3.930 0.598 1
1 27 . 2 1 1 A 2 2 VAL C C 2 181.462 178.100 3.362 1
1 28 . 2 1 1 A 2 2 VAL CA C 2 65.162 66.555 -1.393 1
1 29 . 2 1 1 A 2 2 VAL CB C 2 31.895 31.601 0.294 1
1 32 . 2 1 1 A 2 2 VAL N N 2 121.849 117.992 3.857 1
1 33 . 2 1 1 A 3 3 ALA H H 3 8.256 8.481 -0.225 1
1 34 . 2 1 1 A 3 3 ALA HA H 3 4.173 4.088 0.085 1
1 38 . 2 1 1 A 3 3 ALA C C 3 179.402 179.547 -0.145 1
1 39 . 2 1 1 A 3 3 ALA CA C 3 54.725 54.856 -0.131 1
1 40 . 2 1 1 A 3 3 ALA CB C 3 17.784 18.159 -0.375 1
1 41 . 2 1 1 A 3 3 ALA N N 3 124.615 121.648 2.967 1
1 42 . 2 1 1 A 4 4 TYR H H 4 7.717 8.082 -0.365 1
1 43 . 2 1 1 A 4 4 TYR HA H 4 4.465 4.332 0.133 1
1 48 . 2 1 1 A 4 4 TYR C C 4 177.710 176.374 1.336 1
1 49 . 2 1 1 A 4 4 TYR CA C 4 58.648 60.654 -2.006 1
1 50 . 2 1 1 A 4 4 TYR CB C 4 38.838 38.814 0.024 1
1 53 . 2 1 1 A 4 4 TYR N N 4 117.777 116.582 1.195 1
1 54 . 2 1 1 A 5 5 GLY H H 5 7.942 8.057 -0.115 1
1 55 . 2 1 1 A 5 5 GLY HA2 H 5 4.373 4.118 0.255 1
1 56 . 2 1 1 A 5 5 GLY HA3 H 5 3.699 4.135 -0.436 1
1 57 . 2 1 1 A 5 5 GLY C C 5 174.273 173.908 0.365 1
1 58 . 2 1 1 A 5 5 GLY CA C 5 45.019 45.287 -0.268 1
1 59 . 2 1 1 A 5 5 GLY N N 5 105.556 104.980 0.576 1
1 60 . 2 1 1 A 6 6 ILE H H 6 7.844 7.661 0.183 1
1 61 . 2 1 1 A 6 6 ILE HA H 6 4.135 4.693 -0.558 1
1 71 . 2 1 1 A 6 6 ILE C C 6 174.476 175.006 -0.530 1
1 72 . 2 1 1 A 6 6 ILE CA C 6 59.997 59.644 0.353 1
1 73 . 2 1 1 A 6 6 ILE CB C 6 37.498 42.331 -4.833 1
1 77 . 2 1 1 A 6 6 ILE N N 6 123.172 120.365 2.807 1
1 78 . 2 1 1 A 7 7 ALA H H 7 8.361 8.761 -0.400 1
1 79 . 2 1 1 A 7 7 ALA HA H 7 4.205 4.293 -0.088 1
1 83 . 2 1 1 A 7 7 ALA C C 7 178.710 178.253 0.457 1
1 84 . 2 1 1 A 7 7 ALA CA C 7 52.736 52.851 -0.115 1
1 85 . 2 1 1 A 7 7 ALA CB C 7 19.343 19.306 0.037 1
1 86 . 2 1 1 A 7 7 ALA N N 7 128.201 129.811 -1.610 1
1 87 . 2 1 1 A 8 8 GLN H H 8 8.929 8.793 0.136 1
1 88 . 2 1 1 A 8 8 GLN HA H 8 3.670 3.951 -0.281 1
1 95 . 2 1 1 A 8 8 GLN C C 8 177.362 178.741 -1.379 1
1 96 . 2 1 1 A 8 8 GLN CA C 8 60.337 59.127 1.210 1
1 97 . 2 1 1 A 8 8 GLN CB C 8 28.290 28.189 0.101 1
1 100 . 2 1 1 A 8 8 GLN N N 8 121.784 123.802 -2.018 1
1 102 . 2 1 1 A 9 9 GLY H H 9 9.034 8.373 0.661 1
1 103 . 2 1 1 A 9 9 GLY HA2 H 9 3.891 3.800 0.091 1
1 104 . 2 1 1 A 9 9 GLY C C 9 177.273 176.694 0.579 1
1 105 . 2 1 1 A 9 9 GLY CA C 9 47.126 47.382 -0.256 1
1 106 . 2 1 1 A 9 9 GLY N N 9 105.262 107.471 -2.209 1
1 107 . 2 1 1 A 10 10 THR H H 10 7.254 8.114 -0.860 1
1 108 . 2 1 1 A 10 10 THR HA H 10 4.010 4.084 -0.074 1
1 113 . 2 1 1 A 10 10 THR C C 10 175.476 176.007 -0.531 1
1 114 . 2 1 1 A 10 10 THR CA C 10 65.939 65.165 0.774 1
1 115 . 2 1 1 A 10 10 THR CB C 10 68.252 68.845 -0.593 1
1 117 . 2 1 1 A 10 10 THR N N 10 118.993 117.005 1.988 1
1 118 . 2 1 1 A 11 11 ALA H H 11 9.152 8.544 0.608 1
1 119 . 2 1 1 A 11 11 ALA HA H 11 3.759 3.937 -0.178 1
1 123 . 2 1 1 A 11 11 ALA C C 11 178.878 179.065 -0.187 1
1 124 . 2 1 1 A 11 11 ALA CA C 11 55.756 55.450 0.306 1
1 125 . 2 1 1 A 11 11 ALA CB C 11 19.820 18.331 1.489 1
1 126 . 2 1 1 A 11 11 ALA N N 11 126.026 123.559 2.467 1
1 127 . 2 1 1 A 12 12 GLU H H 12 8.442 8.100 0.342 1
1 128 . 2 1 1 A 12 12 GLU HA H 12 3.748 3.996 -0.248 1
1 133 . 2 1 1 A 12 12 GLU C C 12 179.309 178.927 0.382 1
1 134 . 2 1 1 A 12 12 GLU CA C 12 59.899 59.805 0.094 1
1 135 . 2 1 1 A 12 12 GLU CB C 12 29.713 29.134 0.579 1
1 137 . 2 1 1 A 12 12 GLU N N 12 115.831 118.306 -2.475 1
1 138 . 2 1 1 A 13 13 LYS H H 13 7.253 7.918 -0.665 1
1 139 . 2 1 1 A 13 13 LYS HA H 13 4.147 4.075 0.072 1
1 145 . 2 1 1 A 13 13 LYS C C 13 178.842 179.657 -0.815 1
1 146 . 2 1 1 A 13 13 LYS CA C 13 59.198 59.413 -0.215 1
1 147 . 2 1 1 A 13 13 LYS CB C 13 32.678 32.583 0.095 1
1 150 . 2 1 1 A 13 13 LYS N N 13 119.708 118.534 1.174 1
1 151 . 2 1 1 A 14 14 VAL H H 14 8.649 7.987 0.662 1
1 152 . 2 1 1 A 14 14 VAL HA H 14 3.368 3.742 -0.374 1
1 160 . 2 1 1 A 14 14 VAL C C 14 177.806 178.437 -0.631 1
1 161 . 2 1 1 A 14 14 VAL CA C 14 67.448 65.789 1.659 1
1 162 . 2 1 1 A 14 14 VAL CB C 14 31.423 31.902 -0.479 1
1 165 . 2 1 1 A 14 14 VAL N N 14 119.012 120.012 -1.000 1
1 166 . 2 1 1 A 15 15 VAL H H 15 8.172 8.213 -0.041 1
1 167 . 2 1 1 A 15 15 VAL HA H 15 3.418 3.623 -0.205 1
1 175 . 2 1 1 A 15 15 VAL C C 15 177.325 177.991 -0.666 1
1 176 . 2 1 1 A 15 15 VAL CA C 15 67.632 66.253 1.379 1
1 177 . 2 1 1 A 15 15 VAL CB C 15 31.168 31.594 -0.426 1
1 180 . 2 1 1 A 15 15 VAL N N 15 117.226 120.881 -3.655 1
1 181 . 2 1 1 A 16 16 SER H H 16 7.804 7.932 -0.128 1
1 182 . 2 1 1 A 16 16 SER HA H 16 4.232 4.127 0.105 1
1 185 . 2 1 1 A 16 16 SER C C 16 177.563 177.447 0.116 1
1 186 . 2 1 1 A 16 16 SER CA C 16 61.988 61.581 0.407 1
1 187 . 2 1 1 A 16 16 SER CB C 16 62.781 62.894 -0.113 1
1 188 . 2 1 1 A 16 16 SER N N 16 115.358 116.169 -0.811 1
1 189 . 2 1 1 A 17 17 LEU H H 17 8.089 8.134 -0.045 1
1 190 . 2 1 1 A 17 17 LEU HA H 17 4.234 4.123 0.111 1
1 200 . 2 1 1 A 17 17 LEU C C 17 179.382 179.059 0.323 1
1 201 . 2 1 1 A 17 17 LEU CA C 17 57.908 57.797 0.111 1
1 202 . 2 1 1 A 17 17 LEU CB C 17 41.459 41.454 0.005 1
1 206 . 2 1 1 A 17 17 LEU N N 17 121.995 121.800 0.195 1
1 207 . 2 1 1 A 18 18 ILE H H 18 8.690 7.889 0.801 1
1 208 . 2 1 1 A 18 18 ILE HA H 18 3.799 3.533 0.266 1
1 218 . 2 1 1 A 18 18 ILE C C 18 181.545 177.886 3.659 1
1 219 . 2 1 1 A 18 18 ILE CA C 18 65.849 65.712 0.137 1
1 220 . 2 1 1 A 18 18 ILE CB C 18 37.844 37.931 -0.087 1
1 224 . 2 1 1 A 18 18 ILE N N 18 121.273 120.152 1.121 1
1 225 . 2 1 1 A 19 19 ASN H H 19 8.663 8.788 -0.125 1
1 226 . 2 1 1 A 19 19 ASN HA H 19 4.548 4.492 0.056 1
1 231 . 2 1 1 A 19 19 ASN C C 19 176.165 177.311 -1.146 1
1 232 . 2 1 1 A 19 19 ASN CA C 19 55.365 56.391 -1.026 1
1 233 . 2 1 1 A 19 19 ASN CB C 19 38.196 39.302 -1.106 1
1 235 . 2 1 1 A 19 19 ASN N N 19 120.662 118.852 1.810 1
1 237 . 2 1 1 A 20 20 ALA H H 20 7.564 7.077 0.487 1
1 238 . 2 1 1 A 20 20 ALA HA H 20 4.411 4.256 0.155 1
1 242 . 2 1 1 A 20 20 ALA C C 20 175.860 177.886 -2.026 1
1 243 . 2 1 1 A 20 20 ALA CA C 20 52.478 52.382 0.096 1
1 244 . 2 1 1 A 20 20 ALA CB C 20 18.668 19.634 -0.966 1
1 245 . 2 1 1 A 20 20 ALA N N 20 120.105 118.771 1.334 1
1 246 . 2 1 1 A 21 21 GLY H H 21 7.959 8.323 -0.364 1
1 247 . 2 1 1 A 21 21 GLY HA2 H 21 4.310 3.930 0.380 1
1 248 . 2 1 1 A 21 21 GLY HA3 H 21 3.804 3.936 -0.132 1
1 249 . 2 1 1 A 21 21 GLY C C 21 175.014 174.550 0.464 1
1 250 . 2 1 1 A 21 21 GLY CA C 21 45.286 45.688 -0.402 1
1 251 . 2 1 1 A 21 21 GLY N N 21 105.589 107.325 -1.736 1
1 252 . 2 1 1 A 22 22 LEU H H 22 7.529 7.518 0.011 1
1 253 . 2 1 1 A 22 22 LEU HA H 22 4.462 4.419 0.043 1
1 263 . 2 1 1 A 22 22 LEU C C 22 177.271 177.172 0.099 1
1 264 . 2 1 1 A 22 22 LEU CA C 22 56.388 54.631 1.757 1
1 265 . 2 1 1 A 22 22 LEU CB C 22 42.442 42.484 -0.042 1
1 269 . 2 1 1 A 22 22 LEU N N 22 121.608 122.405 -0.797 1
1 270 . 2 1 1 A 23 23 THR H H 23 7.976 8.529 -0.553 1
1 271 . 2 1 1 A 23 23 THR HA H 23 4.335 4.764 -0.429 1
1 276 . 2 1 1 A 23 23 THR C C 23 175.978 176.149 -0.171 1
1 277 . 2 1 1 A 23 23 THR CA C 23 60.185 60.759 -0.574 1
1 278 . 2 1 1 A 23 23 THR CB C 23 71.142 71.130 0.012 1
1 280 . 2 1 1 A 23 23 THR N N 23 108.756 115.229 -6.473 1
1 281 . 2 1 1 A 24 24 VAL H H 24 8.201 8.983 -0.782 1
1 282 . 2 1 1 A 24 24 VAL HA H 24 3.337 3.712 -0.375 1
1 290 . 2 1 1 A 24 24 VAL C C 24 176.772 177.840 -1.068 1
1 291 . 2 1 1 A 24 24 VAL CA C 24 66.172 65.136 1.036 1
1 292 . 2 1 1 A 24 24 VAL CB C 24 30.752 31.379 -0.627 1
1 295 . 2 1 1 A 24 24 VAL N N 24 119.897 120.093 -0.196 1
1 296 . 2 1 1 A 25 25 GLY H H 25 8.328 8.224 0.104 1
1 297 . 2 1 1 A 25 25 GLY HA2 H 25 3.830 3.747 0.083 1
1 298 . 2 1 1 A 25 25 GLY HA3 H 25 3.722 3.764 -0.042 1
1 299 . 2 1 1 A 25 25 GLY C C 25 177.352 175.919 1.433 1
1 300 . 2 1 1 A 25 25 GLY CA C 25 46.824 47.370 -0.546 1
1 301 . 2 1 1 A 25 25 GLY N N 25 106.836 110.621 -3.785 1
1 302 . 2 1 1 A 26 26 SER H H 26 7.626 7.740 -0.114 1
1 303 . 2 1 1 A 26 26 SER HA H 26 4.286 4.117 0.169 1
1 306 . 2 1 1 A 26 26 SER C C 26 176.160 176.375 -0.215 1
1 307 . 2 1 1 A 26 26 SER CA C 26 61.829 62.641 -0.812 1
1 308 . 2 1 1 A 26 26 SER CB C 26 63.022 62.840 0.182 1
1 309 . 2 1 1 A 26 26 SER N N 26 118.367 118.670 -0.303 1
1 310 . 2 1 1 A 27 27 ILE H H 27 8.072 7.363 0.709 1
1 311 . 2 1 1 A 27 27 ILE HA H 27 3.494 3.601 -0.107 1
1 321 . 2 1 1 A 27 27 ILE C C 27 177.364 178.233 -0.869 1
1 322 . 2 1 1 A 27 27 ILE CA C 27 66.333 64.539 1.794 1
1 323 . 2 1 1 A 27 27 ILE CB C 27 38.065 37.618 0.447 1
1 327 . 2 1 1 A 27 27 ILE N N 27 122.663 120.998 1.665 1
1 328 . 2 1 1 A 28 28 ILE H H 28 8.317 7.921 0.396 1
1 329 . 2 1 1 A 28 28 ILE HA H 28 3.790 3.525 0.265 1
1 339 . 2 1 1 A 28 28 ILE C C 28 179.278 178.093 1.185 1
1 340 . 2 1 1 A 28 28 ILE CA C 28 65.107 65.134 -0.027 1
1 341 . 2 1 1 A 28 28 ILE CB C 28 38.185 37.517 0.668 1
1 345 . 2 1 1 A 28 28 ILE N N 28 119.722 121.395 -1.673 1
1 346 . 2 1 1 A 29 29 SER H H 29 7.703 7.499 0.204 1
1 347 . 2 1 1 A 29 29 SER HA H 29 4.185 4.201 -0.016 1
1 349 . 2 1 1 A 29 29 SER C C 29 176.198 177.240 -1.042 1
1 350 . 2 1 1 A 29 29 SER CA C 29 61.588 61.105 0.483 1
1 351 . 2 1 1 A 29 29 SER CB C 29 63.021 63.035 -0.014 1
1 352 . 2 1 1 A 29 29 SER N N 29 114.967 116.292 -1.325 1
1 353 . 2 1 1 A 30 30 ILE H H 30 7.798 7.609 0.189 1
1 354 . 2 1 1 A 30 30 ILE HA H 30 3.884 3.678 0.206 1
1 364 . 2 1 1 A 30 30 ILE C C 30 177.721 177.994 -0.273 1
1 365 . 2 1 1 A 30 30 ILE CA C 30 64.231 65.141 -0.910 1
1 366 . 2 1 1 A 30 30 ILE CB C 30 39.382 37.701 1.681 1
1 370 . 2 1 1 A 30 30 ILE N N 30 120.517 122.070 -1.553 1
1 371 . 2 1 1 A 31 31 LEU H H 31 8.279 7.434 0.845 1
1 372 . 2 1 1 A 31 31 LEU HA H 31 4.362 3.996 0.366 1
1 382 . 2 1 1 A 31 31 LEU C C 31 178.475 177.297 1.178 1
1 383 . 2 1 1 A 31 31 LEU CA C 31 55.587 56.774 -1.187 1
1 384 . 2 1 1 A 31 31 LEU CB C 31 39.699 42.284 -2.585 1
1 388 . 2 1 1 A 31 31 LEU N N 31 117.941 119.974 -2.033 1
1 389 . 2 1 1 A 32 32 GLY H H 32 8.219 8.489 -0.270 1
1 390 . 2 1 1 A 32 32 GLY HA2 H 32 4.123 3.878 0.245 1
1 391 . 2 1 1 A 32 32 GLY HA3 H 32 3.878 3.883 -0.005 1
1 392 . 2 1 1 A 32 32 GLY C C 32 175.512 174.077 1.435 1
1 393 . 2 1 1 A 32 32 GLY CA C 32 45.604 46.007 -0.403 1
1 394 . 2 1 1 A 32 32 GLY N N 32 107.591 107.184 0.407 1
1 395 . 2 1 1 A 33 33 GLY H H 33 8.667 7.962 0.705 1
1 396 . 2 1 1 A 33 33 GLY HA2 H 33 4.062 4.110 -0.048 1
1 397 . 2 1 1 A 33 33 GLY HA3 H 33 3.879 4.110 -0.231 1
1 398 . 2 1 1 A 33 33 GLY C C 33 175.510 172.507 3.003 1
1 399 . 2 1 1 A 33 33 GLY CA C 33 46.603 44.430 2.173 1
1 400 . 2 1 1 A 33 33 GLY N N 33 109.700 108.131 1.569 1
1 401 . 2 1 1 A 34 34 VAL H H 34 8.049 8.857 -0.808 1
1 402 . 2 1 1 A 34 34 VAL HA H 34 4.309 4.153 0.156 1
1 410 . 2 1 1 A 34 34 VAL C C 34 176.726 176.111 0.615 1
1 411 . 2 1 1 A 34 34 VAL CA C 34 62.780 61.589 1.191 1
1 412 . 2 1 1 A 34 34 VAL CB C 34 32.022 28.989 3.033 1
1 415 . 2 1 1 A 34 34 VAL N N 34 117.737 120.168 -2.431 1
1 416 . 2 1 1 A 35 35 THR H H 35 8.141 8.128 0.013 1
1 417 . 2 1 1 A 35 35 THR HA H 35 4.239 4.380 -0.141 1
1 422 . 2 1 1 A 35 35 THR C C 35 174.905 175.475 -0.570 1
1 423 . 2 1 1 A 35 35 THR CA C 35 62.571 63.191 -0.620 1
1 424 . 2 1 1 A 35 35 THR CB C 35 69.247 68.874 0.373 1
1 426 . 2 1 1 A 35 35 THR N N 35 111.884 118.460 -6.576 1
1 427 . 2 1 1 A 36 36 VAL H H 36 7.560 7.638 -0.078 1
1 428 . 2 1 1 A 36 36 VAL HA H 36 3.940 3.604 0.336 1
1 436 . 2 1 1 A 36 36 VAL C C 36 177.003 178.125 -1.122 1
1 437 . 2 1 1 A 36 36 VAL CA C 36 64.440 66.114 -1.674 1
1 438 . 2 1 1 A 36 36 VAL CB C 36 31.926 31.487 0.439 1
1 441 . 2 1 1 A 36 36 VAL N N 36 120.063 120.773 -0.710 1
1 442 . 2 1 1 A 37 37 GLY H H 37 8.427 8.294 0.133 1
1 443 . 2 1 1 A 37 37 GLY HA2 H 37 4.143 3.761 0.382 1
1 444 . 2 1 1 A 37 37 GLY HA3 H 37 4.077 3.763 0.314 1
1 445 . 2 1 1 A 37 37 GLY C C 37 176.084 175.963 0.121 1
1 446 . 2 1 1 A 37 37 GLY CA C 37 45.593 47.188 -1.595 1
1 447 . 2 1 1 A 37 37 GLY N N 37 110.570 108.193 2.377 1
1 448 . 2 1 1 A 38 38 LEU H H 38 8.157 7.830 0.327 1
1 449 . 2 1 1 A 38 38 LEU HA H 38 4.094 4.061 0.033 1
1 458 . 2 1 1 A 38 38 LEU C C 38 177.948 179.481 -1.533 1
1 459 . 2 1 1 A 38 38 LEU CA C 38 56.472 57.196 -0.724 1
1 460 . 2 1 1 A 38 38 LEU CB C 38 42.644 41.205 1.439 1
1 464 . 2 1 1 A 38 38 LEU N N 38 121.095 122.940 -1.845 1
1 465 . 2 1 1 A 39 39 SER H H 39 8.417 7.988 0.429 1
1 466 . 2 1 1 A 39 39 SER HA H 39 3.921 4.258 -0.337 1
1 469 . 2 1 1 A 39 39 SER C C 39 176.742 176.903 -0.161 1
1 470 . 2 1 1 A 39 39 SER CA C 39 62.250 61.296 0.954 1
1 471 . 2 1 1 A 39 39 SER CB C 39 62.228 62.494 -0.266 1
1 472 . 2 1 1 A 39 39 SER N N 39 113.122 113.645 -0.523 1
1 473 . 2 1 1 A 40 40 GLY H H 40 8.169 8.053 0.116 1
1 474 . 2 1 1 A 40 40 GLY HA2 H 40 4.108 3.874 0.234 1
1 475 . 2 1 1 A 40 40 GLY HA3 H 40 3.990 3.892 0.098 1
1 476 . 2 1 1 A 40 40 GLY C C 40 175.225 175.363 -0.138 1
1 477 . 2 1 1 A 40 40 GLY CA C 40 46.354 47.088 -0.734 1
1 478 . 2 1 1 A 40 40 GLY N N 40 107.856 110.092 -2.236 1
1 479 . 2 1 1 A 41 41 VAL H H 41 7.321 7.785 -0.464 1
1 480 . 2 1 1 A 41 41 VAL HA H 41 4.482 4.064 0.418 1
1 488 . 2 1 1 A 41 41 VAL C C 41 176.112 177.676 -1.564 1
1 489 . 2 1 1 A 41 41 VAL CA C 41 61.490 62.623 -1.133 1
1 490 . 2 1 1 A 41 41 VAL CB C 41 33.211 32.011 1.200 1
1 493 . 2 1 1 A 41 41 VAL N N 41 114.922 117.828 -2.906 1
1 494 . 2 1 1 A 42 42 PHE H H 42 7.832 8.042 -0.210 1
1 495 . 2 1 1 A 42 42 PHE HA H 42 3.890 3.991 -0.101 1
1 501 . 2 1 1 A 42 42 PHE C C 42 176.656 177.195 -0.539 1
1 502 . 2 1 1 A 42 42 PHE CA C 42 62.384 61.969 0.415 1
1 503 . 2 1 1 A 42 42 PHE CB C 42 39.677 39.170 0.507 1
1 507 . 2 1 1 A 42 42 PHE N N 42 122.726 124.389 -1.663 1
1 508 . 2 1 1 A 43 43 THR H H 43 8.606 7.866 0.740 1
1 509 . 2 1 1 A 43 43 THR HA H 43 3.771 3.893 -0.122 1
1 514 . 2 1 1 A 43 43 THR C C 43 176.755 176.600 0.155 1
1 515 . 2 1 1 A 43 43 THR CA C 43 66.787 66.927 -0.140 1
1 516 . 2 1 1 A 43 43 THR CB C 43 68.302 68.555 -0.253 1
1 518 . 2 1 1 A 43 43 THR N N 43 113.613 115.761 -2.148 1
1 519 . 2 1 1 A 44 44 ALA H H 44 7.860 7.879 -0.019 1
1 520 . 2 1 1 A 44 44 ALA HA H 44 4.203 4.099 0.104 1
1 524 . 2 1 1 A 44 44 ALA C C 44 181.044 180.204 0.840 1
1 525 . 2 1 1 A 44 44 ALA CA C 44 54.896 54.974 -0.078 1
1 526 . 2 1 1 A 44 44 ALA CB C 44 17.985 18.310 -0.325 1
1 527 . 2 1 1 A 44 44 ALA N N 44 125.406 124.277 1.129 1
1 528 . 2 1 1 A 45 45 VAL H H 45 8.391 7.939 0.452 1
1 529 . 2 1 1 A 45 45 VAL HA H 45 3.565 3.426 0.139 1
1 537 . 2 1 1 A 45 45 VAL C C 45 177.079 177.577 -0.498 1
1 538 . 2 1 1 A 45 45 VAL CA C 45 66.523 66.398 0.125 1
1 539 . 2 1 1 A 45 45 VAL CB C 45 31.323 31.352 -0.029 1
1 542 . 2 1 1 A 45 45 VAL N N 45 120.467 118.401 2.066 1
1 543 . 2 1 1 A 46 46 LYS H H 46 8.270 7.956 0.314 1
1 544 . 2 1 1 A 46 46 LYS HA H 46 3.699 3.838 -0.139 1
1 550 . 2 1 1 A 46 46 LYS C C 46 179.171 178.765 0.406 1
1 551 . 2 1 1 A 46 46 LYS CA C 46 60.606 59.083 1.523 1
1 552 . 2 1 1 A 46 46 LYS CB C 46 32.057 32.437 -0.380 1
1 556 . 2 1 1 A 46 46 LYS N N 46 120.461 120.050 0.411 1
1 557 . 2 1 1 A 47 47 ALA H H 47 7.854 7.621 0.233 1
1 558 . 2 1 1 A 47 47 ALA HA H 47 4.192 4.081 0.111 1
1 562 . 2 1 1 A 47 47 ALA C C 47 179.565 179.952 -0.387 1
1 563 . 2 1 1 A 47 47 ALA CA C 47 54.782 54.874 -0.092 1
1 564 . 2 1 1 A 47 47 ALA CB C 47 18.004 18.396 -0.392 1
1 565 . 2 1 1 A 47 47 ALA N N 47 120.799 120.900 -0.101 1
1 566 . 2 1 1 A 48 48 ALA H H 48 7.931 7.927 0.004 1
1 567 . 2 1 1 A 48 48 ALA HA H 48 4.232 4.118 0.114 1
1 571 . 2 1 1 A 48 48 ALA C C 48 180.197 180.006 0.191 1
1 572 . 2 1 1 A 48 48 ALA CA C 48 55.028 55.059 -0.031 1
1 573 . 2 1 1 A 48 48 ALA CB C 48 17.968 18.431 -0.463 1
1 574 . 2 1 1 A 48 48 ALA N N 48 120.585 120.362 0.223 1
1 575 . 2 1 1 A 49 49 ILE H H 49 8.270 7.650 0.620 1
1 576 . 2 1 1 A 49 49 ILE HA H 49 3.190 3.525 -0.335 1
1 586 . 2 1 1 A 49 49 ILE C C 49 177.762 177.988 -0.226 1
1 587 . 2 1 1 A 49 49 ILE CA C 49 66.396 65.442 0.954 1
1 588 . 2 1 1 A 49 49 ILE CB C 49 38.698 37.696 1.002 1
1 592 . 2 1 1 A 49 49 ILE N N 49 118.535 119.477 -0.942 1
1 593 . 2 1 1 A 50 50 ALA H H 50 7.198 8.332 -1.134 1
1 594 . 2 1 1 A 50 50 ALA HA H 50 4.154 4.055 0.099 1
1 598 . 2 1 1 A 50 50 ALA C C 50 179.323 179.605 -0.282 1
1 599 . 2 1 1 A 50 50 ALA CA C 50 54.684 54.751 -0.067 1
1 600 . 2 1 1 A 50 50 ALA CB C 50 18.877 18.085 0.792 1
1 601 . 2 1 1 A 50 50 ALA N N 50 118.853 121.581 -2.728 1
1 602 . 2 1 1 A 51 51 LYS H H 51 8.047 7.574 0.473 1
1 603 . 2 1 1 A 51 51 LYS HA H 51 4.372 4.180 0.192 1
1 609 . 2 1 1 A 51 51 LYS C C 51 177.694 177.651 0.043 1
1 610 . 2 1 1 A 51 51 LYS CA C 51 57.678 59.157 -1.479 1
1 611 . 2 1 1 A 51 51 LYS CB C 51 34.279 32.890 1.389 1
1 615 . 2 1 1 A 51 51 LYS N N 51 114.606 117.503 -2.897 1
1 616 . 2 1 1 A 52 52 GLN H H 52 8.707 8.469 0.238 1
1 617 . 2 1 1 A 52 52 GLN HA H 52 4.592 4.462 0.130 1
1 624 . 2 1 1 A 52 52 GLN C C 52 176.792 175.891 0.901 1
1 625 . 2 1 1 A 52 52 GLN CA C 52 56.454 56.923 -0.469 1
1 626 . 2 1 1 A 52 52 GLN CB C 52 31.792 30.767 1.025 1
1 629 . 2 1 1 A 52 52 GLN N N 52 115.942 115.618 0.324 1
1 631 . 2 1 1 A 53 53 GLY H H 53 8.045 7.326 0.719 1
1 632 . 2 1 1 A 53 53 GLY HA2 H 53 4.568 4.092 0.476 1
1 633 . 2 1 1 A 53 53 GLY HA3 H 53 4.066 4.093 -0.027 1
1 634 . 2 1 1 A 53 53 GLY C C 53 173.741 174.635 -0.894 1
1 635 . 2 1 1 A 53 53 GLY CA C 53 44.553 45.840 -1.287 1
1 636 . 2 1 1 A 53 53 GLY N N 53 110.313 103.269 7.044 1
1 637 . 2 1 1 A 54 54 ILE H H 54 8.281 8.681 -0.400 1
1 638 . 2 1 1 A 54 54 ILE HA H 54 3.583 3.741 -0.158 1
1 648 . 2 1 1 A 54 54 ILE C C 54 177.313 177.719 -0.406 1
1 649 . 2 1 1 A 54 54 ILE CA C 54 65.253 64.232 1.021 1
1 650 . 2 1 1 A 54 54 ILE CB C 54 38.489 37.731 0.758 1
1 654 . 2 1 1 A 54 54 ILE N N 54 117.579 119.515 -1.936 1
1 655 . 2 1 1 A 55 55 LYS H H 55 8.334 8.146 0.188 1
1 656 . 2 1 1 A 55 55 LYS HA H 55 3.955 3.957 -0.002 1
1 663 . 2 1 1 A 55 55 LYS C C 55 180.026 178.635 1.391 1
1 664 . 2 1 1 A 55 55 LYS CA C 55 60.343 59.785 0.558 1
1 665 . 2 1 1 A 55 55 LYS CB C 55 31.693 32.606 -0.913 1
1 669 . 2 1 1 A 55 55 LYS N N 55 119.039 121.588 -2.549 1
1 670 . 2 1 1 A 56 56 LYS H H 56 7.987 8.122 -0.135 1
1 671 . 2 1 1 A 56 56 LYS HA H 56 4.130 4.060 0.070 1
1 677 . 2 1 1 A 56 56 LYS C C 56 178.612 179.364 -0.752 1
1 678 . 2 1 1 A 56 56 LYS CA C 56 57.715 59.154 -1.439 1
1 679 . 2 1 1 A 56 56 LYS CB C 56 31.714 31.978 -0.264 1
1 683 . 2 1 1 A 56 56 LYS N N 56 119.113 118.370 0.743 1
1 684 . 2 1 1 A 57 57 ALA H H 57 7.735 7.868 -0.133 1
1 685 . 2 1 1 A 57 57 ALA HA H 57 3.911 4.004 -0.093 1
1 689 . 2 1 1 A 57 57 ALA C C 57 178.713 179.926 -1.213 1
1 690 . 2 1 1 A 57 57 ALA CA C 57 55.568 55.147 0.421 1
1 691 . 2 1 1 A 57 57 ALA CB C 57 19.922 17.863 2.059 1
1 692 . 2 1 1 A 57 57 ALA N N 57 122.357 121.679 0.678 1
1 693 . 2 1 1 A 58 58 ILE H H 58 8.257 7.746 0.511 1
1 694 . 2 1 1 A 58 58 ILE HA H 58 3.452 3.640 -0.188 1
1 704 . 2 1 1 A 58 58 ILE C C 58 177.688 177.906 -0.218 1
1 705 . 2 1 1 A 58 58 ILE CA C 58 66.157 65.372 0.785 1
1 706 . 2 1 1 A 58 58 ILE CB C 58 38.306 37.878 0.428 1
1 710 . 2 1 1 A 58 58 ILE N N 58 117.279 118.786 -1.507 1
1 711 . 2 1 1 A 59 59 GLN H H 59 7.752 7.872 -0.120 1
1 712 . 2 1 1 A 59 59 GLN HA H 59 3.916 4.128 -0.212 1
1 719 . 2 1 1 A 59 59 GLN C C 59 178.976 178.753 0.223 1
1 720 . 2 1 1 A 59 59 GLN CA C 59 59.112 58.547 0.565 1
1 721 . 2 1 1 A 59 59 GLN CB C 59 28.189 28.052 0.137 1
1 724 . 2 1 1 A 59 59 GLN N N 59 117.533 118.914 -1.381 1
1 18 . 3 1 1 A 2 2 VAL H H 2 8.475 8.110 0.365 1
1 19 . 3 1 1 A 2 2 VAL HA H 2 4.528 3.909 0.619 1
1 27 . 3 1 1 A 2 2 VAL C C 2 181.462 178.078 3.384 1
1 28 . 3 1 1 A 2 2 VAL CA C 2 65.162 66.604 -1.442 1
1 29 . 3 1 1 A 2 2 VAL CB C 2 31.895 31.611 0.284 1
1 32 . 3 1 1 A 2 2 VAL N N 2 121.849 117.104 4.745 1
1 33 . 3 1 1 A 3 3 ALA H H 3 8.256 8.517 -0.261 1
1 34 . 3 1 1 A 3 3 ALA HA H 3 4.173 4.125 0.048 1
1 38 . 3 1 1 A 3 3 ALA C C 3 179.402 179.495 -0.093 1
1 39 . 3 1 1 A 3 3 ALA CA C 3 54.725 54.946 -0.221 1
1 40 . 3 1 1 A 3 3 ALA CB C 3 17.784 18.332 -0.548 1
1 41 . 3 1 1 A 3 3 ALA N N 3 124.615 121.596 3.019 1
1 42 . 3 1 1 A 4 4 TYR H H 4 7.717 8.128 -0.411 1
1 43 . 3 1 1 A 4 4 TYR HA H 4 4.465 4.210 0.255 1
1 48 . 3 1 1 A 4 4 TYR C C 4 177.710 176.138 1.572 1
1 49 . 3 1 1 A 4 4 TYR CA C 4 58.648 61.360 -2.712 1
1 50 . 3 1 1 A 4 4 TYR CB C 4 38.838 39.508 -0.670 1
1 53 . 3 1 1 A 4 4 TYR N N 4 117.777 119.814 -2.037 1
1 54 . 3 1 1 A 5 5 GLY H H 5 7.942 8.126 -0.184 1
1 55 . 3 1 1 A 5 5 GLY HA2 H 5 4.373 4.118 0.255 1
1 56 . 3 1 1 A 5 5 GLY HA3 H 5 3.699 4.133 -0.434 1
1 57 . 3 1 1 A 5 5 GLY C C 5 174.273 173.953 0.320 1
1 58 . 3 1 1 A 5 5 GLY CA C 5 45.019 45.370 -0.351 1
1 59 . 3 1 1 A 5 5 GLY N N 5 105.556 106.355 -0.799 1
1 60 . 3 1 1 A 6 6 ILE H H 6 7.844 7.933 -0.089 1
1 61 . 3 1 1 A 6 6 ILE HA H 6 4.135 4.675 -0.540 1
1 71 . 3 1 1 A 6 6 ILE C C 6 174.476 175.076 -0.600 1
1 72 . 3 1 1 A 6 6 ILE CA C 6 59.997 59.604 0.393 1
1 73 . 3 1 1 A 6 6 ILE CB C 6 37.498 42.254 -4.756 1
1 77 . 3 1 1 A 6 6 ILE N N 6 123.172 120.413 2.759 1
1 78 . 3 1 1 A 7 7 ALA H H 7 8.361 8.711 -0.350 1
1 79 . 3 1 1 A 7 7 ALA HA H 7 4.205 4.249 -0.044 1
1 83 . 3 1 1 A 7 7 ALA C C 7 178.710 178.226 0.484 1
1 84 . 3 1 1 A 7 7 ALA CA C 7 52.736 52.816 -0.080 1
1 85 . 3 1 1 A 7 7 ALA CB C 7 19.343 19.200 0.143 1
1 86 . 3 1 1 A 7 7 ALA N N 7 128.201 130.038 -1.837 1
1 87 . 3 1 1 A 8 8 GLN H H 8 8.929 8.781 0.148 1
1 88 . 3 1 1 A 8 8 GLN HA H 8 3.670 3.988 -0.318 1
1 95 . 3 1 1 A 8 8 GLN C C 8 177.362 179.265 -1.903 1
1 96 . 3 1 1 A 8 8 GLN CA C 8 60.337 58.911 1.426 1
1 97 . 3 1 1 A 8 8 GLN CB C 8 28.290 28.614 -0.324 1
1 100 . 3 1 1 A 8 8 GLN N N 8 121.784 123.707 -1.923 1
1 102 . 3 1 1 A 9 9 GLY H H 9 9.034 8.356 0.678 1
1 103 . 3 1 1 A 9 9 GLY HA2 H 9 3.891 3.719 0.172 1
1 104 . 3 1 1 A 9 9 GLY C C 9 177.273 176.575 0.698 1
1 105 . 3 1 1 A 9 9 GLY CA C 9 47.126 47.314 -0.188 1
1 106 . 3 1 1 A 9 9 GLY N N 9 105.262 109.061 -3.799 1
1 107 . 3 1 1 A 10 10 THR H H 10 7.254 8.121 -0.867 1
1 108 . 3 1 1 A 10 10 THR HA H 10 4.010 4.088 -0.078 1
1 113 . 3 1 1 A 10 10 THR C C 10 175.476 175.887 -0.411 1
1 114 . 3 1 1 A 10 10 THR CA C 10 65.939 65.174 0.765 1
1 115 . 3 1 1 A 10 10 THR CB C 10 68.252 68.822 -0.570 1
1 117 . 3 1 1 A 10 10 THR N N 10 118.993 117.374 1.619 1
1 118 . 3 1 1 A 11 11 ALA H H 11 9.152 8.500 0.652 1
1 119 . 3 1 1 A 11 11 ALA HA H 11 3.759 3.998 -0.239 1
1 123 . 3 1 1 A 11 11 ALA C C 11 178.878 179.991 -1.113 1
1 124 . 3 1 1 A 11 11 ALA CA C 11 55.756 55.649 0.107 1
1 125 . 3 1 1 A 11 11 ALA CB C 11 19.820 18.339 1.481 1
1 126 . 3 1 1 A 11 11 ALA N N 11 126.026 123.274 2.752 1
1 127 . 3 1 1 A 12 12 GLU H H 12 8.442 7.817 0.625 1
1 128 . 3 1 1 A 12 12 GLU HA H 12 3.748 3.992 -0.244 1
1 133 . 3 1 1 A 12 12 GLU C C 12 179.309 179.017 0.292 1
1 134 . 3 1 1 A 12 12 GLU CA C 12 59.899 59.607 0.292 1
1 135 . 3 1 1 A 12 12 GLU CB C 12 29.713 29.099 0.614 1
1 137 . 3 1 1 A 12 12 GLU N N 12 115.831 117.943 -2.112 1
1 138 . 3 1 1 A 13 13 LYS H H 13 7.253 7.795 -0.542 1
1 139 . 3 1 1 A 13 13 LYS HA H 13 4.147 4.220 -0.073 1
1 145 . 3 1 1 A 13 13 LYS C C 13 178.842 178.732 0.110 1
1 146 . 3 1 1 A 13 13 LYS CA C 13 59.198 58.864 0.334 1
1 147 . 3 1 1 A 13 13 LYS CB C 13 32.678 32.391 0.287 1
1 150 . 3 1 1 A 13 13 LYS N N 13 119.708 121.079 -1.371 1
1 151 . 3 1 1 A 14 14 VAL H H 14 8.649 8.239 0.410 1
1 152 . 3 1 1 A 14 14 VAL HA H 14 3.368 3.768 -0.400 1
1 160 . 3 1 1 A 14 14 VAL C C 14 177.806 178.173 -0.367 1
1 161 . 3 1 1 A 14 14 VAL CA C 14 67.448 66.619 0.829 1
1 162 . 3 1 1 A 14 14 VAL CB C 14 31.423 31.703 -0.280 1
1 165 . 3 1 1 A 14 14 VAL N N 14 119.012 119.787 -0.775 1
1 166 . 3 1 1 A 15 15 VAL H H 15 8.172 8.593 -0.421 1
1 167 . 3 1 1 A 15 15 VAL HA H 15 3.418 3.537 -0.119 1
1 175 . 3 1 1 A 15 15 VAL C C 15 177.325 178.272 -0.947 1
1 176 . 3 1 1 A 15 15 VAL CA C 15 67.632 66.769 0.863 1
1 177 . 3 1 1 A 15 15 VAL CB C 15 31.168 31.355 -0.187 1
1 180 . 3 1 1 A 15 15 VAL N N 15 117.226 120.659 -3.433 1
1 181 . 3 1 1 A 16 16 SER H H 16 7.804 7.865 -0.061 1
1 182 . 3 1 1 A 16 16 SER HA H 16 4.232 4.118 0.114 1
1 185 . 3 1 1 A 16 16 SER C C 16 177.563 177.075 0.488 1
1 186 . 3 1 1 A 16 16 SER CA C 16 61.988 61.474 0.514 1
1 187 . 3 1 1 A 16 16 SER CB C 16 62.781 62.980 -0.199 1
1 188 . 3 1 1 A 16 16 SER N N 16 115.358 115.824 -0.466 1
1 189 . 3 1 1 A 17 17 LEU H H 17 8.089 8.131 -0.042 1
1 190 . 3 1 1 A 17 17 LEU HA H 17 4.234 4.093 0.141 1
1 200 . 3 1 1 A 17 17 LEU C C 17 179.382 179.548 -0.166 1
1 201 . 3 1 1 A 17 17 LEU CA C 17 57.908 57.785 0.123 1
1 202 . 3 1 1 A 17 17 LEU CB C 17 41.459 41.426 0.033 1
1 206 . 3 1 1 A 17 17 LEU N N 17 121.995 121.878 0.117 1
1 207 . 3 1 1 A 18 18 ILE H H 18 8.690 8.054 0.636 1
1 208 . 3 1 1 A 18 18 ILE HA H 18 3.799 3.536 0.263 1
1 218 . 3 1 1 A 18 18 ILE C C 18 181.545 177.810 3.735 1
1 219 . 3 1 1 A 18 18 ILE CA C 18 65.849 65.735 0.114 1
1 220 . 3 1 1 A 18 18 ILE CB C 18 37.844 38.072 -0.228 1
1 224 . 3 1 1 A 18 18 ILE N N 18 121.273 121.055 0.218 1
1 225 . 3 1 1 A 19 19 ASN H H 19 8.663 8.300 0.363 1
1 226 . 3 1 1 A 19 19 ASN HA H 19 4.548 4.505 0.043 1
1 231 . 3 1 1 A 19 19 ASN C C 19 176.165 177.229 -1.064 1
1 232 . 3 1 1 A 19 19 ASN CA C 19 55.365 56.230 -0.865 1
1 233 . 3 1 1 A 19 19 ASN CB C 19 38.196 39.181 -0.985 1
1 235 . 3 1 1 A 19 19 ASN N N 19 120.662 118.861 1.801 1
1 237 . 3 1 1 A 20 20 ALA H H 20 7.564 7.534 0.030 1
1 238 . 3 1 1 A 20 20 ALA HA H 20 4.411 4.253 0.158 1
1 242 . 3 1 1 A 20 20 ALA C C 20 175.860 177.897 -2.037 1
1 243 . 3 1 1 A 20 20 ALA CA C 20 52.478 52.385 0.093 1
1 244 . 3 1 1 A 20 20 ALA CB C 20 18.668 19.637 -0.969 1
1 245 . 3 1 1 A 20 20 ALA N N 20 120.105 118.786 1.319 1
1 246 . 3 1 1 A 21 21 GLY H H 21 7.959 8.308 -0.349 1
1 247 . 3 1 1 A 21 21 GLY HA2 H 21 4.310 3.925 0.385 1
1 248 . 3 1 1 A 21 21 GLY HA3 H 21 3.804 3.933 -0.129 1
1 249 . 3 1 1 A 21 21 GLY C C 21 175.014 174.621 0.393 1
1 250 . 3 1 1 A 21 21 GLY CA C 21 45.286 45.707 -0.421 1
1 251 . 3 1 1 A 21 21 GLY N N 21 105.589 107.379 -1.790 1
1 252 . 3 1 1 A 22 22 LEU H H 22 7.529 8.025 -0.496 1
1 253 . 3 1 1 A 22 22 LEU HA H 22 4.462 4.546 -0.084 1
1 263 . 3 1 1 A 22 22 LEU C C 22 177.271 177.379 -0.108 1
1 264 . 3 1 1 A 22 22 LEU CA C 22 56.388 54.711 1.677 1
1 265 . 3 1 1 A 22 22 LEU CB C 22 42.442 42.633 -0.191 1
1 269 . 3 1 1 A 22 22 LEU N N 22 121.608 122.629 -1.021 1
1 270 . 3 1 1 A 23 23 THR H H 23 7.976 8.621 -0.645 1
1 271 . 3 1 1 A 23 23 THR HA H 23 4.335 4.776 -0.441 1
1 276 . 3 1 1 A 23 23 THR C C 23 175.978 175.511 0.467 1
1 277 . 3 1 1 A 23 23 THR CA C 23 60.185 60.614 -0.429 1
1 278 . 3 1 1 A 23 23 THR CB C 23 71.142 71.277 -0.135 1
1 280 . 3 1 1 A 23 23 THR N N 23 108.756 114.362 -5.606 1
1 281 . 3 1 1 A 24 24 VAL H H 24 8.201 8.677 -0.476 1
1 282 . 3 1 1 A 24 24 VAL HA H 24 3.337 3.562 -0.225 1
1 290 . 3 1 1 A 24 24 VAL C C 24 176.772 177.755 -0.983 1
1 291 . 3 1 1 A 24 24 VAL CA C 24 66.172 65.825 0.347 1
1 292 . 3 1 1 A 24 24 VAL CB C 24 30.752 31.571 -0.819 1
1 295 . 3 1 1 A 24 24 VAL N N 24 119.897 122.338 -2.441 1
1 296 . 3 1 1 A 25 25 GLY H H 25 8.328 8.187 0.141 1
1 297 . 3 1 1 A 25 25 GLY HA2 H 25 3.830 3.738 0.092 1
1 298 . 3 1 1 A 25 25 GLY HA3 H 25 3.722 3.758 -0.036 1
1 299 . 3 1 1 A 25 25 GLY C C 25 177.352 175.930 1.422 1
1 300 . 3 1 1 A 25 25 GLY CA C 25 46.824 47.489 -0.665 1
1 301 . 3 1 1 A 25 25 GLY N N 25 106.836 109.332 -2.496 1
1 302 . 3 1 1 A 26 26 SER H H 26 7.626 8.054 -0.428 1
1 303 . 3 1 1 A 26 26 SER HA H 26 4.286 4.168 0.118 1
1 306 . 3 1 1 A 26 26 SER C C 26 176.160 177.280 -1.120 1
1 307 . 3 1 1 A 26 26 SER CA C 26 61.829 60.871 0.958 1
1 308 . 3 1 1 A 26 26 SER CB C 26 63.022 62.997 0.025 1
1 309 . 3 1 1 A 26 26 SER N N 26 118.367 116.551 1.816 1
1 310 . 3 1 1 A 27 27 ILE H H 27 8.072 7.450 0.622 1
1 311 . 3 1 1 A 27 27 ILE HA H 27 3.494 3.499 -0.005 1
1 321 . 3 1 1 A 27 27 ILE C C 27 177.364 177.968 -0.604 1
1 322 . 3 1 1 A 27 27 ILE CA C 27 66.333 65.133 1.200 1
1 323 . 3 1 1 A 27 27 ILE CB C 27 38.065 37.593 0.472 1
1 327 . 3 1 1 A 27 27 ILE N N 27 122.663 121.958 0.705 1
1 328 . 3 1 1 A 28 28 ILE H H 28 8.317 7.574 0.743 1
1 329 . 3 1 1 A 28 28 ILE HA H 28 3.790 3.776 0.014 1
1 339 . 3 1 1 A 28 28 ILE C C 28 179.278 178.016 1.262 1
1 340 . 3 1 1 A 28 28 ILE CA C 28 65.107 65.072 0.035 1
1 341 . 3 1 1 A 28 28 ILE CB C 28 38.185 37.340 0.845 1
1 345 . 3 1 1 A 28 28 ILE N N 28 119.722 119.451 0.271 1
1 346 . 3 1 1 A 29 29 SER H H 29 7.703 7.574 0.129 1
1 347 . 3 1 1 A 29 29 SER HA H 29 4.185 4.086 0.099 1
1 349 . 3 1 1 A 29 29 SER C C 29 176.198 177.054 -0.856 1
1 350 . 3 1 1 A 29 29 SER CA C 29 61.588 61.612 -0.024 1
1 351 . 3 1 1 A 29 29 SER CB C 29 63.021 62.987 0.034 1
1 352 . 3 1 1 A 29 29 SER N N 29 114.967 116.256 -1.289 1
1 353 . 3 1 1 A 30 30 ILE H H 30 7.798 7.489 0.309 1
1 354 . 3 1 1 A 30 30 ILE HA H 30 3.884 3.761 0.123 1
1 364 . 3 1 1 A 30 30 ILE C C 30 177.721 178.372 -0.651 1
1 365 . 3 1 1 A 30 30 ILE CA C 30 64.231 64.181 0.050 1
1 366 . 3 1 1 A 30 30 ILE CB C 30 39.382 36.513 2.869 1
1 370 . 3 1 1 A 30 30 ILE N N 30 120.517 121.613 -1.096 1
1 371 . 3 1 1 A 31 31 LEU H H 31 8.279 7.831 0.448 1
1 372 . 3 1 1 A 31 31 LEU HA H 31 4.362 4.093 0.269 1
1 382 . 3 1 1 A 31 31 LEU C C 31 178.475 176.884 1.591 1
1 383 . 3 1 1 A 31 31 LEU CA C 31 55.587 56.941 -1.354 1
1 384 . 3 1 1 A 31 31 LEU CB C 31 39.699 42.624 -2.925 1
1 388 . 3 1 1 A 31 31 LEU N N 31 117.941 122.375 -4.434 1
1 389 . 3 1 1 A 32 32 GLY H H 32 8.219 8.766 -0.547 1
1 390 . 3 1 1 A 32 32 GLY HA2 H 32 4.123 3.918 0.205 1
1 391 . 3 1 1 A 32 32 GLY HA3 H 32 3.878 3.922 -0.044 1
1 392 . 3 1 1 A 32 32 GLY C C 32 175.512 174.091 1.421 1
1 393 . 3 1 1 A 32 32 GLY CA C 32 45.604 46.829 -1.225 1
1 394 . 3 1 1 A 32 32 GLY N N 32 107.591 106.708 0.883 1
1 395 . 3 1 1 A 33 33 GLY H H 33 8.667 7.674 0.993 1
1 396 . 3 1 1 A 33 33 GLY HA2 H 33 4.062 4.100 -0.038 1
1 397 . 3 1 1 A 33 33 GLY HA3 H 33 3.879 4.102 -0.223 1
1 398 . 3 1 1 A 33 33 GLY C C 33 175.510 173.568 1.942 1
1 399 . 3 1 1 A 33 33 GLY CA C 33 46.603 45.684 0.919 1
1 400 . 3 1 1 A 33 33 GLY N N 33 109.700 105.747 3.953 1
1 401 . 3 1 1 A 34 34 VAL H H 34 8.049 8.574 -0.525 1
1 402 . 3 1 1 A 34 34 VAL HA H 34 4.309 4.166 0.143 1
1 410 . 3 1 1 A 34 34 VAL C C 34 176.726 176.623 0.103 1
1 411 . 3 1 1 A 34 34 VAL CA C 34 62.780 61.600 1.180 1
1 412 . 3 1 1 A 34 34 VAL CB C 34 32.022 30.831 1.191 1
1 415 . 3 1 1 A 34 34 VAL N N 34 117.737 117.402 0.335 1
1 416 . 3 1 1 A 35 35 THR H H 35 8.141 8.221 -0.080 1
1 417 . 3 1 1 A 35 35 THR HA H 35 4.239 4.423 -0.184 1
1 422 . 3 1 1 A 35 35 THR C C 35 174.905 176.144 -1.239 1
1 423 . 3 1 1 A 35 35 THR CA C 35 62.571 62.909 -0.338 1
1 424 . 3 1 1 A 35 35 THR CB C 35 69.247 68.861 0.386 1
1 426 . 3 1 1 A 35 35 THR N N 35 111.884 116.573 -4.689 1
1 427 . 3 1 1 A 36 36 VAL H H 36 7.560 7.744 -0.184 1
1 428 . 3 1 1 A 36 36 VAL HA H 36 3.940 3.953 -0.013 1
1 436 . 3 1 1 A 36 36 VAL C C 36 177.003 177.599 -0.596 1
1 437 . 3 1 1 A 36 36 VAL CA C 36 64.440 65.649 -1.209 1
1 438 . 3 1 1 A 36 36 VAL CB C 36 31.926 31.330 0.596 1
1 441 . 3 1 1 A 36 36 VAL N N 36 120.063 121.869 -1.806 1
1 442 . 3 1 1 A 37 37 GLY H H 37 8.427 8.324 0.103 1
1 443 . 3 1 1 A 37 37 GLY HA2 H 37 4.143 3.637 0.506 1
1 444 . 3 1 1 A 37 37 GLY HA3 H 37 4.077 3.644 0.433 1
1 445 . 3 1 1 A 37 37 GLY C C 37 176.084 175.314 0.770 1
1 446 . 3 1 1 A 37 37 GLY CA C 37 45.593 47.211 -1.618 1
1 447 . 3 1 1 A 37 37 GLY N N 37 110.570 108.943 1.627 1
1 448 . 3 1 1 A 38 38 LEU H H 38 8.157 8.255 -0.098 1
1 449 . 3 1 1 A 38 38 LEU HA H 38 4.094 4.233 -0.139 1
1 458 . 3 1 1 A 38 38 LEU C C 38 177.948 179.387 -1.439 1
1 459 . 3 1 1 A 38 38 LEU CA C 38 56.472 57.311 -0.839 1
1 460 . 3 1 1 A 38 38 LEU CB C 38 42.644 41.339 1.305 1
1 464 . 3 1 1 A 38 38 LEU N N 38 121.095 122.817 -1.722 1
1 465 . 3 1 1 A 39 39 SER H H 39 8.417 7.993 0.424 1
1 466 . 3 1 1 A 39 39 SER HA H 39 3.921 4.288 -0.367 1
1 469 . 3 1 1 A 39 39 SER C C 39 176.742 177.028 -0.286 1
1 470 . 3 1 1 A 39 39 SER CA C 39 62.250 60.955 1.295 1
1 471 . 3 1 1 A 39 39 SER CB C 39 62.228 63.017 -0.789 1
1 472 . 3 1 1 A 39 39 SER N N 39 113.122 115.077 -1.955 1
1 473 . 3 1 1 A 40 40 GLY H H 40 8.169 8.165 0.004 1
1 474 . 3 1 1 A 40 40 GLY HA2 H 40 4.108 3.969 0.139 1
1 475 . 3 1 1 A 40 40 GLY HA3 H 40 3.990 3.976 0.014 1
1 476 . 3 1 1 A 40 40 GLY C C 40 175.225 175.452 -0.227 1
1 477 . 3 1 1 A 40 40 GLY CA C 40 46.354 46.852 -0.498 1
1 478 . 3 1 1 A 40 40 GLY N N 40 107.856 107.537 0.319 1
1 479 . 3 1 1 A 41 41 VAL H H 41 7.321 7.852 -0.531 1
1 480 . 3 1 1 A 41 41 VAL HA H 41 4.482 4.109 0.373 1
1 488 . 3 1 1 A 41 41 VAL C C 41 176.112 177.677 -1.565 1
1 489 . 3 1 1 A 41 41 VAL CA C 41 61.490 62.745 -1.255 1
1 490 . 3 1 1 A 41 41 VAL CB C 41 33.211 32.269 0.942 1
1 493 . 3 1 1 A 41 41 VAL N N 41 114.922 118.281 -3.359 1
1 494 . 3 1 1 A 42 42 PHE H H 42 7.832 7.997 -0.165 1
1 495 . 3 1 1 A 42 42 PHE HA H 42 3.890 3.946 -0.056 1
1 501 . 3 1 1 A 42 42 PHE C C 42 176.656 177.198 -0.542 1
1 502 . 3 1 1 A 42 42 PHE CA C 42 62.384 61.742 0.642 1
1 503 . 3 1 1 A 42 42 PHE CB C 42 39.677 39.223 0.454 1
1 507 . 3 1 1 A 42 42 PHE N N 42 122.726 124.429 -1.703 1
1 508 . 3 1 1 A 43 43 THR H H 43 8.606 8.023 0.583 1
1 509 . 3 1 1 A 43 43 THR HA H 43 3.771 4.001 -0.230 1
1 514 . 3 1 1 A 43 43 THR C C 43 176.755 177.225 -0.470 1
1 515 . 3 1 1 A 43 43 THR CA C 43 66.787 65.715 1.072 1
1 516 . 3 1 1 A 43 43 THR CB C 43 68.302 68.869 -0.567 1
1 518 . 3 1 1 A 43 43 THR N N 43 113.613 113.679 -0.066 1
1 519 . 3 1 1 A 44 44 ALA H H 44 7.860 7.754 0.106 1
1 520 . 3 1 1 A 44 44 ALA HA H 44 4.203 4.076 0.127 1
1 524 . 3 1 1 A 44 44 ALA C C 44 181.044 180.149 0.895 1
1 525 . 3 1 1 A 44 44 ALA CA C 44 54.896 54.991 -0.095 1
1 526 . 3 1 1 A 44 44 ALA CB C 44 17.985 18.322 -0.337 1
1 527 . 3 1 1 A 44 44 ALA N N 44 125.406 123.458 1.948 1
1 528 . 3 1 1 A 45 45 VAL H H 45 8.391 7.885 0.506 1
1 529 . 3 1 1 A 45 45 VAL HA H 45 3.565 3.297 0.268 1
1 537 . 3 1 1 A 45 45 VAL C C 45 177.079 177.547 -0.468 1
1 538 . 3 1 1 A 45 45 VAL CA C 45 66.523 66.930 -0.407 1
1 539 . 3 1 1 A 45 45 VAL CB C 45 31.323 31.254 0.069 1
1 542 . 3 1 1 A 45 45 VAL N N 45 120.467 118.283 2.184 1
1 543 . 3 1 1 A 46 46 LYS H H 46 8.270 7.823 0.447 1
1 544 . 3 1 1 A 46 46 LYS HA H 46 3.699 3.856 -0.157 1
1 550 . 3 1 1 A 46 46 LYS C C 46 179.171 178.648 0.523 1
1 551 . 3 1 1 A 46 46 LYS CA C 46 60.606 59.254 1.352 1
1 552 . 3 1 1 A 46 46 LYS CB C 46 32.057 32.353 -0.296 1
1 556 . 3 1 1 A 46 46 LYS N N 46 120.461 120.132 0.329 1
1 557 . 3 1 1 A 47 47 ALA H H 47 7.854 8.008 -0.154 1
1 558 . 3 1 1 A 47 47 ALA HA H 47 4.192 4.038 0.154 1
1 562 . 3 1 1 A 47 47 ALA C C 47 179.565 179.935 -0.370 1
1 563 . 3 1 1 A 47 47 ALA CA C 47 54.782 54.840 -0.058 1
1 564 . 3 1 1 A 47 47 ALA CB C 47 18.004 18.364 -0.360 1
1 565 . 3 1 1 A 47 47 ALA N N 47 120.799 120.922 -0.123 1
1 566 . 3 1 1 A 48 48 ALA H H 48 7.931 7.608 0.323 1
1 567 . 3 1 1 A 48 48 ALA HA H 48 4.232 4.103 0.129 1
1 571 . 3 1 1 A 48 48 ALA C C 48 180.197 179.805 0.392 1
1 572 . 3 1 1 A 48 48 ALA CA C 48 55.028 54.956 0.072 1
1 573 . 3 1 1 A 48 48 ALA CB C 48 17.968 18.493 -0.525 1
1 574 . 3 1 1 A 48 48 ALA N N 48 120.585 120.240 0.345 1
1 575 . 3 1 1 A 49 49 ILE H H 49 8.270 7.621 0.649 1
1 576 . 3 1 1 A 49 49 ILE HA H 49 3.190 3.481 -0.291 1
1 586 . 3 1 1 A 49 49 ILE C C 49 177.762 177.952 -0.190 1
1 587 . 3 1 1 A 49 49 ILE CA C 49 66.396 65.413 0.983 1
1 588 . 3 1 1 A 49 49 ILE CB C 49 38.698 37.696 1.002 1
1 592 . 3 1 1 A 49 49 ILE N N 49 118.535 119.963 -1.428 1
1 593 . 3 1 1 A 50 50 ALA H H 50 7.198 8.360 -1.162 1
1 594 . 3 1 1 A 50 50 ALA HA H 50 4.154 4.050 0.104 1
1 598 . 3 1 1 A 50 50 ALA C C 50 179.323 179.544 -0.221 1
1 599 . 3 1 1 A 50 50 ALA CA C 50 54.684 54.761 -0.077 1
1 600 . 3 1 1 A 50 50 ALA CB C 50 18.877 18.120 0.757 1
1 601 . 3 1 1 A 50 50 ALA N N 50 118.853 121.701 -2.848 1
1 602 . 3 1 1 A 51 51 LYS H H 51 8.047 7.564 0.483 1
1 603 . 3 1 1 A 51 51 LYS HA H 51 4.372 4.144 0.228 1
1 609 . 3 1 1 A 51 51 LYS C C 51 177.694 177.164 0.530 1
1 610 . 3 1 1 A 51 51 LYS CA C 51 57.678 58.793 -1.115 1
1 611 . 3 1 1 A 51 51 LYS CB C 51 34.279 32.967 1.312 1
1 615 . 3 1 1 A 51 51 LYS N N 51 114.606 116.960 -2.354 1
1 616 . 3 1 1 A 52 52 GLN H H 52 8.707 8.336 0.371 1
1 617 . 3 1 1 A 52 52 GLN HA H 52 4.592 4.474 0.118 1
1 624 . 3 1 1 A 52 52 GLN C C 52 176.792 175.926 0.866 1
1 625 . 3 1 1 A 52 52 GLN CA C 52 56.454 56.829 -0.375 1
1 626 . 3 1 1 A 52 52 GLN CB C 52 31.792 31.344 0.448 1
1 629 . 3 1 1 A 52 52 GLN N N 52 115.942 116.263 -0.321 1
1 631 . 3 1 1 A 53 53 GLY H H 53 8.045 7.338 0.707 1
1 632 . 3 1 1 A 53 53 GLY HA2 H 53 4.568 4.051 0.517 1
1 633 . 3 1 1 A 53 53 GLY HA3 H 53 4.066 4.052 0.014 1
1 634 . 3 1 1 A 53 53 GLY C C 53 173.741 174.615 -0.874 1
1 635 . 3 1 1 A 53 53 GLY CA C 53 44.553 45.763 -1.210 1
1 636 . 3 1 1 A 53 53 GLY N N 53 110.313 103.342 6.971 1
1 637 . 3 1 1 A 54 54 ILE H H 54 8.281 8.990 -0.709 1
1 638 . 3 1 1 A 54 54 ILE HA H 54 3.583 3.734 -0.151 1
1 648 . 3 1 1 A 54 54 ILE C C 54 177.313 177.621 -0.308 1
1 649 . 3 1 1 A 54 54 ILE CA C 54 65.253 64.319 0.934 1
1 650 . 3 1 1 A 54 54 ILE CB C 54 38.489 37.458 1.031 1
1 654 . 3 1 1 A 54 54 ILE N N 54 117.579 122.015 -4.436 1
1 655 . 3 1 1 A 55 55 LYS H H 55 8.334 8.289 0.045 1
1 656 . 3 1 1 A 55 55 LYS HA H 55 3.955 4.059 -0.104 1
1 663 . 3 1 1 A 55 55 LYS C C 55 180.026 178.762 1.264 1
1 664 . 3 1 1 A 55 55 LYS CA C 55 60.343 59.193 1.150 1
1 665 . 3 1 1 A 55 55 LYS CB C 55 31.693 32.344 -0.651 1
1 669 . 3 1 1 A 55 55 LYS N N 55 119.039 120.243 -1.204 1
1 670 . 3 1 1 A 56 56 LYS H H 56 7.987 7.679 0.308 1
1 671 . 3 1 1 A 56 56 LYS HA H 56 4.130 4.101 0.029 1
1 677 . 3 1 1 A 56 56 LYS C C 56 178.612 178.675 -0.063 1
1 678 . 3 1 1 A 56 56 LYS CA C 56 57.715 58.372 -0.657 1
1 679 . 3 1 1 A 56 56 LYS CB C 56 31.714 31.974 -0.260 1
1 683 . 3 1 1 A 56 56 LYS N N 56 119.113 119.523 -0.410 1
1 684 . 3 1 1 A 57 57 ALA H H 57 7.735 7.832 -0.097 1
1 685 . 3 1 1 A 57 57 ALA HA H 57 3.911 3.971 -0.060 1
1 689 . 3 1 1 A 57 57 ALA C C 57 178.713 179.951 -1.238 1
1 690 . 3 1 1 A 57 57 ALA CA C 57 55.568 55.030 0.538 1
1 691 . 3 1 1 A 57 57 ALA CB C 57 19.922 17.975 1.947 1
1 692 . 3 1 1 A 57 57 ALA N N 57 122.357 121.782 0.575 1
1 693 . 3 1 1 A 58 58 ILE H H 58 8.257 7.796 0.461 1
1 694 . 3 1 1 A 58 58 ILE HA H 58 3.452 3.596 -0.144 1
1 704 . 3 1 1 A 58 58 ILE C C 58 177.688 177.876 -0.188 1
1 705 . 3 1 1 A 58 58 ILE CA C 58 66.157 65.409 0.748 1
1 706 . 3 1 1 A 58 58 ILE CB C 58 38.306 37.992 0.314 1
1 710 . 3 1 1 A 58 58 ILE N N 58 117.279 118.819 -1.540 1
1 711 . 3 1 1 A 59 59 GLN H H 59 7.752 7.875 -0.123 1
1 712 . 3 1 1 A 59 59 GLN HA H 59 3.916 4.161 -0.245 1
1 719 . 3 1 1 A 59 59 GLN C C 59 178.976 178.862 0.114 1
1 720 . 3 1 1 A 59 59 GLN CA C 59 59.112 58.665 0.447 1
1 721 . 3 1 1 A 59 59 GLN CB C 59 28.189 28.214 -0.025 1
1 724 . 3 1 1 A 59 59 GLN N N 59 117.533 118.577 -1.044 1
1 18 . 4 1 1 A 2 2 VAL H H 2 8.475 8.024 0.451 1
1 19 . 4 1 1 A 2 2 VAL HA H 2 4.528 3.906 0.622 1
1 27 . 4 1 1 A 2 2 VAL C C 2 181.462 178.049 3.413 1
1 28 . 4 1 1 A 2 2 VAL CA C 2 65.162 66.600 -1.438 1
1 29 . 4 1 1 A 2 2 VAL CB C 2 31.895 31.612 0.283 1
1 32 . 4 1 1 A 2 2 VAL N N 2 121.849 117.160 4.689 1
1 33 . 4 1 1 A 3 3 ALA H H 3 8.256 8.524 -0.268 1
1 34 . 4 1 1 A 3 3 ALA HA H 3 4.173 4.149 0.024 1
1 38 . 4 1 1 A 3 3 ALA C C 3 179.402 179.483 -0.081 1
1 39 . 4 1 1 A 3 3 ALA CA C 3 54.725 54.985 -0.260 1
1 40 . 4 1 1 A 3 3 ALA CB C 3 17.784 18.197 -0.413 1
1 41 . 4 1 1 A 3 3 ALA N N 3 124.615 121.597 3.018 1
1 42 . 4 1 1 A 4 4 TYR H H 4 7.717 8.062 -0.345 1
1 43 . 4 1 1 A 4 4 TYR HA H 4 4.465 4.244 0.221 1
1 48 . 4 1 1 A 4 4 TYR C C 4 177.710 175.916 1.794 1
1 49 . 4 1 1 A 4 4 TYR CA C 4 58.648 61.321 -2.673 1
1 50 . 4 1 1 A 4 4 TYR CB C 4 38.838 39.572 -0.734 1
1 53 . 4 1 1 A 4 4 TYR N N 4 117.777 120.906 -3.129 1
1 54 . 4 1 1 A 5 5 GLY H H 5 7.942 7.961 -0.019 1
1 55 . 4 1 1 A 5 5 GLY HA2 H 5 4.373 3.899 0.474 1
1 56 . 4 1 1 A 5 5 GLY HA3 H 5 3.699 3.999 -0.300 1
1 57 . 4 1 1 A 5 5 GLY C C 5 174.273 174.809 -0.536 1
1 58 . 4 1 1 A 5 5 GLY CA C 5 45.019 45.367 -0.348 1
1 59 . 4 1 1 A 5 5 GLY N N 5 105.556 106.810 -1.254 1
1 60 . 4 1 1 A 6 6 ILE H H 6 7.844 7.798 0.046 1
1 61 . 4 1 1 A 6 6 ILE HA H 6 4.135 4.102 0.033 1
1 71 . 4 1 1 A 6 6 ILE C C 6 174.476 176.432 -1.956 1
1 72 . 4 1 1 A 6 6 ILE CA C 6 59.997 61.321 -1.324 1
1 73 . 4 1 1 A 6 6 ILE CB C 6 37.498 38.135 -0.637 1
1 77 . 4 1 1 A 6 6 ILE N N 6 123.172 122.202 0.970 1
1 78 . 4 1 1 A 7 7 ALA H H 7 8.361 8.713 -0.352 1
1 79 . 4 1 1 A 7 7 ALA HA H 7 4.205 4.205 0.000 1
1 83 . 4 1 1 A 7 7 ALA C C 7 178.710 178.712 -0.002 1
1 84 . 4 1 1 A 7 7 ALA CA C 7 52.736 52.835 -0.099 1
1 85 . 4 1 1 A 7 7 ALA CB C 7 19.343 19.283 0.060 1
1 86 . 4 1 1 A 7 7 ALA N N 7 128.201 130.139 -1.938 1
1 87 . 4 1 1 A 8 8 GLN H H 8 8.929 8.780 0.149 1
1 88 . 4 1 1 A 8 8 GLN HA H 8 3.670 4.061 -0.391 1
1 95 . 4 1 1 A 8 8 GLN C C 8 177.362 178.234 -0.872 1
1 96 . 4 1 1 A 8 8 GLN CA C 8 60.337 58.146 2.191 1
1 97 . 4 1 1 A 8 8 GLN CB C 8 28.290 28.204 0.086 1
1 100 . 4 1 1 A 8 8 GLN N N 8 121.784 122.059 -0.275 1
1 102 . 4 1 1 A 9 9 GLY H H 9 9.034 8.298 0.736 1
1 103 . 4 1 1 A 9 9 GLY HA2 H 9 3.891 3.772 0.119 1
1 104 . 4 1 1 A 9 9 GLY C C 9 177.273 176.288 0.985 1
1 105 . 4 1 1 A 9 9 GLY CA C 9 47.126 47.492 -0.366 1
1 106 . 4 1 1 A 9 9 GLY N N 9 105.262 109.172 -3.910 1
1 107 . 4 1 1 A 10 10 THR H H 10 7.254 8.162 -0.908 1
1 108 . 4 1 1 A 10 10 THR HA H 10 4.010 4.086 -0.076 1
1 113 . 4 1 1 A 10 10 THR C C 10 175.476 175.896 -0.420 1
1 114 . 4 1 1 A 10 10 THR CA C 10 65.939 65.195 0.744 1
1 115 . 4 1 1 A 10 10 THR CB C 10 68.252 68.829 -0.577 1
1 117 . 4 1 1 A 10 10 THR N N 10 118.993 116.692 2.301 1
1 118 . 4 1 1 A 11 11 ALA H H 11 9.152 8.515 0.637 1
1 119 . 4 1 1 A 11 11 ALA HA H 11 3.759 4.004 -0.245 1
1 123 . 4 1 1 A 11 11 ALA C C 11 178.878 180.077 -1.199 1
1 124 . 4 1 1 A 11 11 ALA CA C 11 55.756 55.845 -0.089 1
1 125 . 4 1 1 A 11 11 ALA CB C 11 19.820 18.303 1.517 1
1 126 . 4 1 1 A 11 11 ALA N N 11 126.026 123.241 2.785 1
1 127 . 4 1 1 A 12 12 GLU H H 12 8.442 8.188 0.254 1
1 128 . 4 1 1 A 12 12 GLU HA H 12 3.748 3.991 -0.243 1
1 133 . 4 1 1 A 12 12 GLU C C 12 179.309 178.946 0.363 1
1 134 . 4 1 1 A 12 12 GLU CA C 12 59.899 59.597 0.302 1
1 135 . 4 1 1 A 12 12 GLU CB C 12 29.713 29.207 0.506 1
1 137 . 4 1 1 A 12 12 GLU N N 12 115.831 118.144 -2.313 1
1 138 . 4 1 1 A 13 13 LYS H H 13 7.253 7.807 -0.554 1
1 139 . 4 1 1 A 13 13 LYS HA H 13 4.147 4.229 -0.082 1
1 145 . 4 1 1 A 13 13 LYS C C 13 178.842 178.740 0.102 1
1 146 . 4 1 1 A 13 13 LYS CA C 13 59.198 58.510 0.688 1
1 147 . 4 1 1 A 13 13 LYS CB C 13 32.678 32.330 0.348 1
1 150 . 4 1 1 A 13 13 LYS N N 13 119.708 121.050 -1.342 1
1 151 . 4 1 1 A 14 14 VAL H H 14 8.649 8.261 0.388 1
1 152 . 4 1 1 A 14 14 VAL HA H 14 3.368 3.741 -0.373 1
1 160 . 4 1 1 A 14 14 VAL C C 14 177.806 178.202 -0.396 1
1 161 . 4 1 1 A 14 14 VAL CA C 14 67.448 65.879 1.569 1
1 162 . 4 1 1 A 14 14 VAL CB C 14 31.423 31.915 -0.492 1
1 165 . 4 1 1 A 14 14 VAL N N 14 119.012 120.218 -1.206 1
1 166 . 4 1 1 A 15 15 VAL H H 15 8.172 8.367 -0.195 1
1 167 . 4 1 1 A 15 15 VAL HA H 15 3.418 3.541 -0.123 1
1 175 . 4 1 1 A 15 15 VAL C C 15 177.325 178.020 -0.695 1
1 176 . 4 1 1 A 15 15 VAL CA C 15 67.632 66.900 0.732 1
1 177 . 4 1 1 A 15 15 VAL CB C 15 31.168 31.613 -0.445 1
1 180 . 4 1 1 A 15 15 VAL N N 15 117.226 121.035 -3.809 1
1 181 . 4 1 1 A 16 16 SER H H 16 7.804 8.072 -0.268 1
1 182 . 4 1 1 A 16 16 SER HA H 16 4.232 4.146 0.086 1
1 185 . 4 1 1 A 16 16 SER C C 16 177.563 176.235 1.328 1
1 186 . 4 1 1 A 16 16 SER CA C 16 61.988 62.444 -0.456 1
1 187 . 4 1 1 A 16 16 SER CB C 16 62.781 62.740 0.041 1
1 188 . 4 1 1 A 16 16 SER N N 16 115.358 115.832 -0.474 1
1 189 . 4 1 1 A 17 17 LEU H H 17 8.089 8.082 0.007 1
1 190 . 4 1 1 A 17 17 LEU HA H 17 4.234 4.115 0.119 1
1 200 . 4 1 1 A 17 17 LEU C C 17 179.382 179.249 0.133 1
1 201 . 4 1 1 A 17 17 LEU CA C 17 57.908 57.802 0.106 1
1 202 . 4 1 1 A 17 17 LEU CB C 17 41.459 41.391 0.068 1
1 206 . 4 1 1 A 17 17 LEU N N 17 121.995 120.591 1.404 1
1 207 . 4 1 1 A 18 18 ILE H H 18 8.690 7.958 0.732 1
1 208 . 4 1 1 A 18 18 ILE HA H 18 3.799 3.543 0.256 1
1 218 . 4 1 1 A 18 18 ILE C C 18 181.545 177.887 3.658 1
1 219 . 4 1 1 A 18 18 ILE CA C 18 65.849 65.781 0.068 1
1 220 . 4 1 1 A 18 18 ILE CB C 18 37.844 38.125 -0.281 1
1 224 . 4 1 1 A 18 18 ILE N N 18 121.273 120.742 0.531 1
1 225 . 4 1 1 A 19 19 ASN H H 19 8.663 8.317 0.346 1
1 226 . 4 1 1 A 19 19 ASN HA H 19 4.548 4.467 0.081 1
1 231 . 4 1 1 A 19 19 ASN C C 19 176.165 177.394 -1.229 1
1 232 . 4 1 1 A 19 19 ASN CA C 19 55.365 56.423 -1.058 1
1 233 . 4 1 1 A 19 19 ASN CB C 19 38.196 39.581 -1.385 1
1 235 . 4 1 1 A 19 19 ASN N N 19 120.662 118.862 1.800 1
1 237 . 4 1 1 A 20 20 ALA H H 20 7.564 7.116 0.448 1
1 238 . 4 1 1 A 20 20 ALA HA H 20 4.411 4.250 0.161 1
1 242 . 4 1 1 A 20 20 ALA C C 20 175.860 177.848 -1.988 1
1 243 . 4 1 1 A 20 20 ALA CA C 20 52.478 52.421 0.057 1
1 244 . 4 1 1 A 20 20 ALA CB C 20 18.668 19.565 -0.897 1
1 245 . 4 1 1 A 20 20 ALA N N 20 120.105 118.576 1.529 1
1 246 . 4 1 1 A 21 21 GLY H H 21 7.959 8.211 -0.252 1
1 247 . 4 1 1 A 21 21 GLY HA2 H 21 4.310 3.958 0.352 1
1 248 . 4 1 1 A 21 21 GLY HA3 H 21 3.804 3.966 -0.162 1
1 249 . 4 1 1 A 21 21 GLY C C 21 175.014 174.473 0.541 1
1 250 . 4 1 1 A 21 21 GLY CA C 21 45.286 45.355 -0.069 1
1 251 . 4 1 1 A 21 21 GLY N N 21 105.589 106.726 -1.137 1
1 252 . 4 1 1 A 22 22 LEU H H 22 7.529 7.674 -0.145 1
1 253 . 4 1 1 A 22 22 LEU HA H 22 4.462 4.291 0.171 1
1 263 . 4 1 1 A 22 22 LEU C C 22 177.271 176.939 0.332 1
1 264 . 4 1 1 A 22 22 LEU CA C 22 56.388 54.651 1.737 1
1 265 . 4 1 1 A 22 22 LEU CB C 22 42.442 42.143 0.299 1
1 269 . 4 1 1 A 22 22 LEU N N 22 121.608 122.306 -0.698 1
1 270 . 4 1 1 A 23 23 THR H H 23 7.976 8.562 -0.586 1
1 271 . 4 1 1 A 23 23 THR HA H 23 4.335 4.856 -0.521 1
1 276 . 4 1 1 A 23 23 THR C C 23 175.978 175.575 0.403 1
1 277 . 4 1 1 A 23 23 THR CA C 23 60.185 60.629 -0.444 1
1 278 . 4 1 1 A 23 23 THR CB C 23 71.142 71.287 -0.145 1
1 280 . 4 1 1 A 23 23 THR N N 23 108.756 115.012 -6.256 1
1 281 . 4 1 1 A 24 24 VAL H H 24 8.201 8.666 -0.465 1
1 282 . 4 1 1 A 24 24 VAL HA H 24 3.337 3.621 -0.284 1
1 290 . 4 1 1 A 24 24 VAL C C 24 176.772 177.818 -1.046 1
1 291 . 4 1 1 A 24 24 VAL CA C 24 66.172 65.886 0.286 1
1 292 . 4 1 1 A 24 24 VAL CB C 24 30.752 31.640 -0.888 1
1 295 . 4 1 1 A 24 24 VAL N N 24 119.897 122.371 -2.474 1
1 296 . 4 1 1 A 25 25 GLY H H 25 8.328 8.309 0.019 1
1 297 . 4 1 1 A 25 25 GLY HA2 H 25 3.830 3.774 0.056 1
1 298 . 4 1 1 A 25 25 GLY HA3 H 25 3.722 3.787 -0.065 1
1 299 . 4 1 1 A 25 25 GLY C C 25 177.352 176.036 1.316 1
1 300 . 4 1 1 A 25 25 GLY CA C 25 46.824 47.535 -0.711 1
1 301 . 4 1 1 A 25 25 GLY N N 25 106.836 109.106 -2.270 1
1 302 . 4 1 1 A 26 26 SER H H 26 7.626 8.049 -0.423 1
1 303 . 4 1 1 A 26 26 SER HA H 26 4.286 4.155 0.131 1
1 306 . 4 1 1 A 26 26 SER C C 26 176.160 177.316 -1.156 1
1 307 . 4 1 1 A 26 26 SER CA C 26 61.829 61.135 0.694 1
1 308 . 4 1 1 A 26 26 SER CB C 26 63.022 62.835 0.187 1
1 309 . 4 1 1 A 26 26 SER N N 26 118.367 116.548 1.819 1
1 310 . 4 1 1 A 27 27 ILE H H 27 8.072 7.350 0.722 1
1 311 . 4 1 1 A 27 27 ILE HA H 27 3.494 3.458 0.036 1
1 321 . 4 1 1 A 27 27 ILE C C 27 177.364 177.917 -0.553 1
1 322 . 4 1 1 A 27 27 ILE CA C 27 66.333 65.111 1.222 1
1 323 . 4 1 1 A 27 27 ILE CB C 27 38.065 37.621 0.444 1
1 327 . 4 1 1 A 27 27 ILE N N 27 122.663 121.647 1.016 1
1 328 . 4 1 1 A 28 28 ILE H H 28 8.317 7.770 0.547 1
1 329 . 4 1 1 A 28 28 ILE HA H 28 3.790 3.687 0.103 1
1 339 . 4 1 1 A 28 28 ILE C C 28 179.278 178.380 0.898 1
1 340 . 4 1 1 A 28 28 ILE CA C 28 65.107 65.124 -0.017 1
1 341 . 4 1 1 A 28 28 ILE CB C 28 38.185 37.358 0.827 1
1 345 . 4 1 1 A 28 28 ILE N N 28 119.722 120.455 -0.733 1
1 346 . 4 1 1 A 29 29 SER H H 29 7.703 7.494 0.209 1
1 347 . 4 1 1 A 29 29 SER HA H 29 4.185 4.204 -0.019 1
1 349 . 4 1 1 A 29 29 SER C C 29 176.198 177.329 -1.131 1
1 350 . 4 1 1 A 29 29 SER CA C 29 61.588 61.100 0.488 1
1 351 . 4 1 1 A 29 29 SER CB C 29 63.021 63.031 -0.010 1
1 352 . 4 1 1 A 29 29 SER N N 29 114.967 116.395 -1.428 1
1 353 . 4 1 1 A 30 30 ILE H H 30 7.798 8.005 -0.207 1
1 354 . 4 1 1 A 30 30 ILE HA H 30 3.884 3.677 0.207 1
1 364 . 4 1 1 A 30 30 ILE C C 30 177.721 177.935 -0.214 1
1 365 . 4 1 1 A 30 30 ILE CA C 30 64.231 65.118 -0.887 1
1 366 . 4 1 1 A 30 30 ILE CB C 30 39.382 37.754 1.628 1
1 370 . 4 1 1 A 30 30 ILE N N 30 120.517 121.941 -1.424 1
1 371 . 4 1 1 A 31 31 LEU H H 31 8.279 7.385 0.894 1
1 372 . 4 1 1 A 31 31 LEU HA H 31 4.362 3.999 0.363 1
1 382 . 4 1 1 A 31 31 LEU C C 31 178.475 177.525 0.950 1
1 383 . 4 1 1 A 31 31 LEU CA C 31 55.587 56.989 -1.402 1
1 384 . 4 1 1 A 31 31 LEU CB C 31 39.699 42.330 -2.631 1
1 388 . 4 1 1 A 31 31 LEU N N 31 117.941 119.535 -1.594 1
1 389 . 4 1 1 A 32 32 GLY H H 32 8.219 8.708 -0.489 1
1 390 . 4 1 1 A 32 32 GLY HA2 H 32 4.123 3.882 0.241 1
1 391 . 4 1 1 A 32 32 GLY HA3 H 32 3.878 3.885 -0.007 1
1 392 . 4 1 1 A 32 32 GLY C C 32 175.512 174.342 1.170 1
1 393 . 4 1 1 A 32 32 GLY CA C 32 45.604 46.852 -1.248 1
1 394 . 4 1 1 A 32 32 GLY N N 32 107.591 107.484 0.107 1
1 395 . 4 1 1 A 33 33 GLY H H 33 8.667 8.022 0.645 1
1 396 . 4 1 1 A 33 33 GLY HA2 H 33 4.062 4.121 -0.059 1
1 397 . 4 1 1 A 33 33 GLY HA3 H 33 3.879 4.123 -0.244 1
1 398 . 4 1 1 A 33 33 GLY C C 33 175.510 174.236 1.274 1
1 399 . 4 1 1 A 33 33 GLY CA C 33 46.603 45.386 1.217 1
1 400 . 4 1 1 A 33 33 GLY N N 33 109.700 106.554 3.146 1
1 401 . 4 1 1 A 34 34 VAL H H 34 8.049 8.810 -0.761 1
1 402 . 4 1 1 A 34 34 VAL HA H 34 4.309 3.968 0.341 1
1 410 . 4 1 1 A 34 34 VAL C C 34 176.726 176.863 -0.137 1
1 411 . 4 1 1 A 34 34 VAL CA C 34 62.780 64.170 -1.390 1
1 412 . 4 1 1 A 34 34 VAL CB C 34 32.022 31.588 0.434 1
1 415 . 4 1 1 A 34 34 VAL N N 34 117.737 117.407 0.330 1
1 416 . 4 1 1 A 35 35 THR H H 35 8.141 8.025 0.116 1
1 417 . 4 1 1 A 35 35 THR HA H 35 4.239 4.396 -0.157 1
1 422 . 4 1 1 A 35 35 THR C C 35 174.905 176.325 -1.420 1
1 423 . 4 1 1 A 35 35 THR CA C 35 62.571 63.685 -1.114 1
1 424 . 4 1 1 A 35 35 THR CB C 35 69.247 68.864 0.383 1
1 426 . 4 1 1 A 35 35 THR N N 35 111.884 115.726 -3.842 1
1 427 . 4 1 1 A 36 36 VAL H H 36 7.560 7.384 0.176 1
1 428 . 4 1 1 A 36 36 VAL HA H 36 3.940 3.828 0.112 1
1 436 . 4 1 1 A 36 36 VAL C C 36 177.003 177.771 -0.768 1
1 437 . 4 1 1 A 36 36 VAL CA C 36 64.440 65.648 -1.208 1
1 438 . 4 1 1 A 36 36 VAL CB C 36 31.926 31.288 0.638 1
1 441 . 4 1 1 A 36 36 VAL N N 36 120.063 122.098 -2.035 1
1 442 . 4 1 1 A 37 37 GLY H H 37 8.427 8.222 0.205 1
1 443 . 4 1 1 A 37 37 GLY HA2 H 37 4.143 3.806 0.337 1
1 444 . 4 1 1 A 37 37 GLY HA3 H 37 4.077 3.813 0.264 1
1 445 . 4 1 1 A 37 37 GLY C C 37 176.084 175.492 0.592 1
1 446 . 4 1 1 A 37 37 GLY CA C 37 45.593 46.856 -1.263 1
1 447 . 4 1 1 A 37 37 GLY N N 37 110.570 108.559 2.011 1
1 448 . 4 1 1 A 38 38 LEU H H 38 8.157 8.097 0.060 1
1 449 . 4 1 1 A 38 38 LEU HA H 38 4.094 4.217 -0.123 1
1 458 . 4 1 1 A 38 38 LEU C C 38 177.948 179.470 -1.522 1
1 459 . 4 1 1 A 38 38 LEU CA C 38 56.472 57.138 -0.666 1
1 460 . 4 1 1 A 38 38 LEU CB C 38 42.644 41.390 1.254 1
1 464 . 4 1 1 A 38 38 LEU N N 38 121.095 123.171 -2.076 1
1 465 . 4 1 1 A 39 39 SER H H 39 8.417 8.035 0.382 1
1 466 . 4 1 1 A 39 39 SER HA H 39 3.921 4.321 -0.400 1
1 469 . 4 1 1 A 39 39 SER C C 39 176.742 176.716 0.026 1
1 470 . 4 1 1 A 39 39 SER CA C 39 62.250 61.036 1.214 1
1 471 . 4 1 1 A 39 39 SER CB C 39 62.228 62.741 -0.513 1
1 472 . 4 1 1 A 39 39 SER N N 39 113.122 114.143 -1.021 1
1 473 . 4 1 1 A 40 40 GLY H H 40 8.169 8.165 0.004 1
1 474 . 4 1 1 A 40 40 GLY HA2 H 40 4.108 3.993 0.115 1
1 475 . 4 1 1 A 40 40 GLY HA3 H 40 3.990 3.994 -0.004 1
1 476 . 4 1 1 A 40 40 GLY C C 40 175.225 175.454 -0.229 1
1 477 . 4 1 1 A 40 40 GLY CA C 40 46.354 46.747 -0.393 1
1 478 . 4 1 1 A 40 40 GLY N N 40 107.856 110.482 -2.626 1
1 479 . 4 1 1 A 41 41 VAL H H 41 7.321 7.860 -0.539 1
1 480 . 4 1 1 A 41 41 VAL HA H 41 4.482 3.937 0.545 1
1 488 . 4 1 1 A 41 41 VAL C C 41 176.112 177.391 -1.279 1
1 489 . 4 1 1 A 41 41 VAL CA C 41 61.490 64.370 -2.880 1
1 490 . 4 1 1 A 41 41 VAL CB C 41 33.211 31.668 1.543 1
1 493 . 4 1 1 A 41 41 VAL N N 41 114.922 118.566 -3.644 1
1 494 . 4 1 1 A 42 42 PHE H H 42 7.832 8.218 -0.386 1
1 495 . 4 1 1 A 42 42 PHE HA H 42 3.890 4.014 -0.124 1
1 501 . 4 1 1 A 42 42 PHE C C 42 176.656 177.279 -0.623 1
1 502 . 4 1 1 A 42 42 PHE CA C 42 62.384 62.012 0.372 1
1 503 . 4 1 1 A 42 42 PHE CB C 42 39.677 39.119 0.558 1
1 507 . 4 1 1 A 42 42 PHE N N 42 122.726 123.978 -1.252 1
1 508 . 4 1 1 A 43 43 THR H H 43 8.606 7.766 0.840 1
1 509 . 4 1 1 A 43 43 THR HA H 43 3.771 3.911 -0.140 1
1 514 . 4 1 1 A 43 43 THR C C 43 176.755 176.826 -0.071 1
1 515 . 4 1 1 A 43 43 THR CA C 43 66.787 66.793 -0.006 1
1 516 . 4 1 1 A 43 43 THR CB C 43 68.302 68.803 -0.501 1
1 518 . 4 1 1 A 43 43 THR N N 43 113.613 115.656 -2.043 1
1 519 . 4 1 1 A 44 44 ALA H H 44 7.860 7.881 -0.021 1
1 520 . 4 1 1 A 44 44 ALA HA H 44 4.203 4.070 0.133 1
1 524 . 4 1 1 A 44 44 ALA C C 44 181.044 180.196 0.848 1
1 525 . 4 1 1 A 44 44 ALA CA C 44 54.896 54.877 0.019 1
1 526 . 4 1 1 A 44 44 ALA CB C 44 17.985 18.335 -0.350 1
1 527 . 4 1 1 A 44 44 ALA N N 44 125.406 124.344 1.062 1
1 528 . 4 1 1 A 45 45 VAL H H 45 8.391 7.512 0.879 1
1 529 . 4 1 1 A 45 45 VAL HA H 45 3.565 3.272 0.293 1
1 537 . 4 1 1 A 45 45 VAL C C 45 177.079 177.662 -0.583 1
1 538 . 4 1 1 A 45 45 VAL CA C 45 66.523 66.482 0.041 1
1 539 . 4 1 1 A 45 45 VAL CB C 45 31.323 31.140 0.183 1
1 542 . 4 1 1 A 45 45 VAL N N 45 120.467 118.027 2.440 1
1 543 . 4 1 1 A 46 46 LYS H H 46 8.270 7.964 0.306 1
1 544 . 4 1 1 A 46 46 LYS HA H 46 3.699 3.836 -0.137 1
1 550 . 4 1 1 A 46 46 LYS C C 46 179.171 178.681 0.490 1
1 551 . 4 1 1 A 46 46 LYS CA C 46 60.606 59.213 1.393 1
1 552 . 4 1 1 A 46 46 LYS CB C 46 32.057 32.385 -0.328 1
1 556 . 4 1 1 A 46 46 LYS N N 46 120.461 119.833 0.628 1
1 557 . 4 1 1 A 47 47 ALA H H 47 7.854 7.624 0.230 1
1 558 . 4 1 1 A 47 47 ALA HA H 47 4.192 4.059 0.133 1
1 562 . 4 1 1 A 47 47 ALA C C 47 179.565 179.699 -0.134 1
1 563 . 4 1 1 A 47 47 ALA CA C 47 54.782 54.822 -0.040 1
1 564 . 4 1 1 A 47 47 ALA CB C 47 18.004 18.317 -0.313 1
1 565 . 4 1 1 A 47 47 ALA N N 47 120.799 121.205 -0.406 1
1 566 . 4 1 1 A 48 48 ALA H H 48 7.931 7.715 0.216 1
1 567 . 4 1 1 A 48 48 ALA HA H 48 4.232 4.098 0.134 1
1 571 . 4 1 1 A 48 48 ALA C C 48 180.197 179.829 0.368 1
1 572 . 4 1 1 A 48 48 ALA CA C 48 55.028 55.155 -0.127 1
1 573 . 4 1 1 A 48 48 ALA CB C 48 17.968 18.298 -0.330 1
1 574 . 4 1 1 A 48 48 ALA N N 48 120.585 120.332 0.253 1
1 575 . 4 1 1 A 49 49 ILE H H 49 8.270 7.630 0.640 1
1 576 . 4 1 1 A 49 49 ILE HA H 49 3.190 3.514 -0.324 1
1 586 . 4 1 1 A 49 49 ILE C C 49 177.762 177.980 -0.218 1
1 587 . 4 1 1 A 49 49 ILE CA C 49 66.396 65.499 0.897 1
1 588 . 4 1 1 A 49 49 ILE CB C 49 38.698 37.660 1.038 1
1 592 . 4 1 1 A 49 49 ILE N N 49 118.535 119.453 -0.918 1
1 593 . 4 1 1 A 50 50 ALA H H 50 7.198 8.317 -1.119 1
1 594 . 4 1 1 A 50 50 ALA HA H 50 4.154 4.049 0.105 1
1 598 . 4 1 1 A 50 50 ALA C C 50 179.323 179.799 -0.476 1
1 599 . 4 1 1 A 50 50 ALA CA C 50 54.684 54.750 -0.066 1
1 600 . 4 1 1 A 50 50 ALA CB C 50 18.877 18.169 0.708 1
1 601 . 4 1 1 A 50 50 ALA N N 50 118.853 121.639 -2.786 1
1 602 . 4 1 1 A 51 51 LYS H H 51 8.047 7.701 0.346 1
1 603 . 4 1 1 A 51 51 LYS HA H 51 4.372 4.040 0.332 1
1 609 . 4 1 1 A 51 51 LYS C C 51 177.694 177.708 -0.014 1
1 610 . 4 1 1 A 51 51 LYS CA C 51 57.678 58.830 -1.152 1
1 611 . 4 1 1 A 51 51 LYS CB C 51 34.279 32.914 1.365 1
1 615 . 4 1 1 A 51 51 LYS N N 51 114.606 118.483 -3.877 1
1 616 . 4 1 1 A 52 52 GLN H H 52 8.707 8.293 0.414 1
1 617 . 4 1 1 A 52 52 GLN HA H 52 4.592 4.478 0.114 1
1 624 . 4 1 1 A 52 52 GLN C C 52 176.792 175.931 0.861 1
1 625 . 4 1 1 A 52 52 GLN CA C 52 56.454 56.603 -0.149 1
1 626 . 4 1 1 A 52 52 GLN CB C 52 31.792 31.394 0.398 1
1 629 . 4 1 1 A 52 52 GLN N N 52 115.942 115.840 0.102 1
1 631 . 4 1 1 A 53 53 GLY H H 53 8.045 7.321 0.724 1
1 632 . 4 1 1 A 53 53 GLY HA2 H 53 4.568 4.089 0.479 1
1 633 . 4 1 1 A 53 53 GLY HA3 H 53 4.066 4.090 -0.024 1
1 634 . 4 1 1 A 53 53 GLY C C 53 173.741 174.627 -0.886 1
1 635 . 4 1 1 A 53 53 GLY CA C 53 44.553 45.833 -1.280 1
1 636 . 4 1 1 A 53 53 GLY N N 53 110.313 103.349 6.964 1
1 637 . 4 1 1 A 54 54 ILE H H 54 8.281 8.673 -0.392 1
1 638 . 4 1 1 A 54 54 ILE HA H 54 3.583 3.751 -0.168 1
1 648 . 4 1 1 A 54 54 ILE C C 54 177.313 177.975 -0.662 1
1 649 . 4 1 1 A 54 54 ILE CA C 54 65.253 64.308 0.945 1
1 650 . 4 1 1 A 54 54 ILE CB C 54 38.489 37.673 0.816 1
1 654 . 4 1 1 A 54 54 ILE N N 54 117.579 119.465 -1.886 1
1 655 . 4 1 1 A 55 55 LYS H H 55 8.334 8.275 0.059 1
1 656 . 4 1 1 A 55 55 LYS HA H 55 3.955 4.041 -0.086 1
1 663 . 4 1 1 A 55 55 LYS C C 55 180.026 178.778 1.248 1
1 664 . 4 1 1 A 55 55 LYS CA C 55 60.343 59.207 1.136 1
1 665 . 4 1 1 A 55 55 LYS CB C 55 31.693 32.285 -0.592 1
1 669 . 4 1 1 A 55 55 LYS N N 55 119.039 123.078 -4.039 1
1 670 . 4 1 1 A 56 56 LYS H H 56 7.987 7.802 0.185 1
1 671 . 4 1 1 A 56 56 LYS HA H 56 4.130 4.087 0.043 1
1 677 . 4 1 1 A 56 56 LYS C C 56 178.612 178.648 -0.036 1
1 678 . 4 1 1 A 56 56 LYS CA C 56 57.715 58.337 -0.622 1
1 679 . 4 1 1 A 56 56 LYS CB C 56 31.714 31.879 -0.165 1
1 683 . 4 1 1 A 56 56 LYS N N 56 119.113 119.493 -0.380 1
1 684 . 4 1 1 A 57 57 ALA H H 57 7.735 7.698 0.037 1
1 685 . 4 1 1 A 57 57 ALA HA H 57 3.911 3.959 -0.048 1
1 689 . 4 1 1 A 57 57 ALA C C 57 178.713 180.203 -1.490 1
1 690 . 4 1 1 A 57 57 ALA CA C 57 55.568 55.085 0.483 1
1 691 . 4 1 1 A 57 57 ALA CB C 57 19.922 18.044 1.878 1
1 692 . 4 1 1 A 57 57 ALA N N 57 122.357 121.402 0.955 1
1 693 . 4 1 1 A 58 58 ILE H H 58 8.257 7.604 0.653 1
1 694 . 4 1 1 A 58 58 ILE HA H 58 3.452 3.630 -0.178 1
1 704 . 4 1 1 A 58 58 ILE C C 58 177.688 177.759 -0.071 1
1 705 . 4 1 1 A 58 58 ILE CA C 58 66.157 65.357 0.800 1
1 706 . 4 1 1 A 58 58 ILE CB C 58 38.306 37.880 0.426 1
1 710 . 4 1 1 A 58 58 ILE N N 58 117.279 118.917 -1.638 1
1 711 . 4 1 1 A 59 59 GLN H H 59 7.752 7.815 -0.063 1
1 712 . 4 1 1 A 59 59 GLN HA H 59 3.916 4.154 -0.238 1
1 719 . 4 1 1 A 59 59 GLN C C 59 178.976 178.717 0.259 1
1 720 . 4 1 1 A 59 59 GLN CA C 59 59.112 58.568 0.544 1
1 721 . 4 1 1 A 59 59 GLN CB C 59 28.189 28.152 0.037 1
1 724 . 4 1 1 A 59 59 GLN N N 59 117.533 118.898 -1.365 1
1 18 . 5 1 1 A 2 2 VAL H H 2 8.475 8.192 0.283 1
1 19 . 5 1 1 A 2 2 VAL HA H 2 4.528 3.908 0.620 1
1 27 . 5 1 1 A 2 2 VAL C C 2 181.462 178.054 3.408 1
1 28 . 5 1 1 A 2 2 VAL CA C 2 65.162 66.610 -1.448 1
1 29 . 5 1 1 A 2 2 VAL CB C 2 31.895 31.614 0.281 1
1 32 . 5 1 1 A 2 2 VAL N N 2 121.849 117.173 4.676 1
1 33 . 5 1 1 A 3 3 ALA H H 3 8.256 8.521 -0.265 1
1 34 . 5 1 1 A 3 3 ALA HA H 3 4.173 4.152 0.021 1
1 38 . 5 1 1 A 3 3 ALA C C 3 179.402 179.465 -0.063 1
1 39 . 5 1 1 A 3 3 ALA CA C 3 54.725 54.969 -0.244 1
1 40 . 5 1 1 A 3 3 ALA CB C 3 17.784 18.112 -0.328 1
1 41 . 5 1 1 A 3 3 ALA N N 3 124.615 121.599 3.016 1
1 42 . 5 1 1 A 4 4 TYR H H 4 7.717 8.062 -0.345 1
1 43 . 5 1 1 A 4 4 TYR HA H 4 4.465 4.248 0.217 1
1 48 . 5 1 1 A 4 4 TYR C C 4 177.710 175.920 1.790 1
1 49 . 5 1 1 A 4 4 TYR CA C 4 58.648 61.324 -2.676 1
1 50 . 5 1 1 A 4 4 TYR CB C 4 38.838 39.581 -0.743 1
1 53 . 5 1 1 A 4 4 TYR N N 4 117.777 120.914 -3.137 1
1 54 . 5 1 1 A 5 5 GLY H H 5 7.942 7.976 -0.034 1
1 55 . 5 1 1 A 5 5 GLY HA2 H 5 4.373 3.936 0.437 1
1 56 . 5 1 1 A 5 5 GLY HA3 H 5 3.699 4.014 -0.315 1
1 57 . 5 1 1 A 5 5 GLY C C 5 174.273 174.925 -0.652 1
1 58 . 5 1 1 A 5 5 GLY CA C 5 45.019 45.401 -0.382 1
1 59 . 5 1 1 A 5 5 GLY N N 5 105.556 106.854 -1.298 1
1 60 . 5 1 1 A 6 6 ILE H H 6 7.844 7.814 0.030 1
1 61 . 5 1 1 A 6 6 ILE HA H 6 4.135 4.124 0.011 1
1 71 . 5 1 1 A 6 6 ILE C C 6 174.476 176.472 -1.996 1
1 72 . 5 1 1 A 6 6 ILE CA C 6 59.997 61.440 -1.443 1
1 73 . 5 1 1 A 6 6 ILE CB C 6 37.498 38.047 -0.549 1
1 77 . 5 1 1 A 6 6 ILE N N 6 123.172 122.227 0.945 1
1 78 . 5 1 1 A 7 7 ALA H H 7 8.361 8.664 -0.303 1
1 79 . 5 1 1 A 7 7 ALA HA H 7 4.205 4.238 -0.033 1
1 83 . 5 1 1 A 7 7 ALA C C 7 178.710 178.821 -0.111 1
1 84 . 5 1 1 A 7 7 ALA CA C 7 52.736 52.736 0.000 1
1 85 . 5 1 1 A 7 7 ALA CB C 7 19.343 19.297 0.046 1
1 86 . 5 1 1 A 7 7 ALA N N 7 128.201 128.970 -0.769 1
1 87 . 5 1 1 A 8 8 GLN H H 8 8.929 8.784 0.145 1
1 88 . 5 1 1 A 8 8 GLN HA H 8 3.670 4.071 -0.401 1
1 95 . 5 1 1 A 8 8 GLN C C 8 177.362 178.275 -0.913 1
1 96 . 5 1 1 A 8 8 GLN CA C 8 60.337 58.128 2.209 1
1 97 . 5 1 1 A 8 8 GLN CB C 8 28.290 28.186 0.104 1
1 100 . 5 1 1 A 8 8 GLN N N 8 121.784 122.042 -0.258 1
1 102 . 5 1 1 A 9 9 GLY H H 9 9.034 8.261 0.773 1
1 103 . 5 1 1 A 9 9 GLY HA2 H 9 3.891 3.697 0.194 1
1 104 . 5 1 1 A 9 9 GLY C C 9 177.273 176.372 0.901 1
1 105 . 5 1 1 A 9 9 GLY CA C 9 47.126 47.474 -0.348 1
1 106 . 5 1 1 A 9 9 GLY N N 9 105.262 109.211 -3.949 1
1 107 . 5 1 1 A 10 10 THR H H 10 7.254 8.178 -0.924 1
1 108 . 5 1 1 A 10 10 THR HA H 10 4.010 4.100 -0.090 1
1 113 . 5 1 1 A 10 10 THR C C 10 175.476 176.398 -0.922 1
1 114 . 5 1 1 A 10 10 THR CA C 10 65.939 65.457 0.482 1
1 115 . 5 1 1 A 10 10 THR CB C 10 68.252 68.772 -0.520 1
1 117 . 5 1 1 A 10 10 THR N N 10 118.993 116.481 2.512 1
1 118 . 5 1 1 A 11 11 ALA H H 11 9.152 8.164 0.988 1
1 119 . 5 1 1 A 11 11 ALA HA H 11 3.759 3.974 -0.215 1
1 123 . 5 1 1 A 11 11 ALA C C 11 178.878 179.876 -0.998 1
1 124 . 5 1 1 A 11 11 ALA CA C 11 55.756 55.461 0.295 1
1 125 . 5 1 1 A 11 11 ALA CB C 11 19.820 18.401 1.419 1
1 126 . 5 1 1 A 11 11 ALA N N 11 126.026 122.955 3.071 1
1 127 . 5 1 1 A 12 12 GLU H H 12 8.442 7.829 0.613 1
1 128 . 5 1 1 A 12 12 GLU HA H 12 3.748 4.087 -0.339 1
1 133 . 5 1 1 A 12 12 GLU C C 12 179.309 179.102 0.207 1
1 134 . 5 1 1 A 12 12 GLU CA C 12 59.899 59.076 0.823 1
1 135 . 5 1 1 A 12 12 GLU CB C 12 29.713 29.270 0.443 1
1 137 . 5 1 1 A 12 12 GLU N N 12 115.831 117.840 -2.009 1
1 138 . 5 1 1 A 13 13 LYS H H 13 7.253 7.728 -0.475 1
1 139 . 5 1 1 A 13 13 LYS HA H 13 4.147 4.072 0.075 1
1 145 . 5 1 1 A 13 13 LYS C C 13 178.842 179.314 -0.472 1
1 146 . 5 1 1 A 13 13 LYS CA C 13 59.198 59.399 -0.201 1
1 147 . 5 1 1 A 13 13 LYS CB C 13 32.678 32.575 0.103 1
1 150 . 5 1 1 A 13 13 LYS N N 13 119.708 120.383 -0.675 1
1 151 . 5 1 1 A 14 14 VAL H H 14 8.649 8.081 0.568 1
1 152 . 5 1 1 A 14 14 VAL HA H 14 3.368 3.859 -0.491 1
1 160 . 5 1 1 A 14 14 VAL C C 14 177.806 178.253 -0.447 1
1 161 . 5 1 1 A 14 14 VAL CA C 14 67.448 65.747 1.701 1
1 162 . 5 1 1 A 14 14 VAL CB C 14 31.423 31.566 -0.143 1
1 165 . 5 1 1 A 14 14 VAL N N 14 119.012 115.945 3.067 1
1 166 . 5 1 1 A 15 15 VAL H H 15 8.172 7.910 0.262 1
1 167 . 5 1 1 A 15 15 VAL HA H 15 3.418 3.615 -0.197 1
1 175 . 5 1 1 A 15 15 VAL C C 15 177.325 178.311 -0.986 1
1 176 . 5 1 1 A 15 15 VAL CA C 15 67.632 66.615 1.017 1
1 177 . 5 1 1 A 15 15 VAL CB C 15 31.168 31.577 -0.409 1
1 180 . 5 1 1 A 15 15 VAL N N 15 117.226 121.730 -4.504 1
1 181 . 5 1 1 A 16 16 SER H H 16 7.804 8.219 -0.415 1
1 182 . 5 1 1 A 16 16 SER HA H 16 4.232 4.174 0.058 1
1 185 . 5 1 1 A 16 16 SER C C 16 177.563 177.156 0.407 1
1 186 . 5 1 1 A 16 16 SER CA C 16 61.988 61.312 0.676 1
1 187 . 5 1 1 A 16 16 SER CB C 16 62.781 63.065 -0.284 1
1 188 . 5 1 1 A 16 16 SER N N 16 115.358 115.927 -0.569 1
1 189 . 5 1 1 A 17 17 LEU H H 17 8.089 8.172 -0.083 1
1 190 . 5 1 1 A 17 17 LEU HA H 17 4.234 4.082 0.152 1
1 200 . 5 1 1 A 17 17 LEU C C 17 179.382 179.701 -0.319 1
1 201 . 5 1 1 A 17 17 LEU CA C 17 57.908 57.744 0.164 1
1 202 . 5 1 1 A 17 17 LEU CB C 17 41.459 41.401 0.058 1
1 206 . 5 1 1 A 17 17 LEU N N 17 121.995 122.559 -0.564 1
1 207 . 5 1 1 A 18 18 ILE H H 18 8.690 7.813 0.877 1
1 208 . 5 1 1 A 18 18 ILE HA H 18 3.799 3.531 0.268 1
1 218 . 5 1 1 A 18 18 ILE C C 18 181.545 177.892 3.653 1
1 219 . 5 1 1 A 18 18 ILE CA C 18 65.849 65.632 0.217 1
1 220 . 5 1 1 A 18 18 ILE CB C 18 37.844 38.102 -0.258 1
1 224 . 5 1 1 A 18 18 ILE N N 18 121.273 121.153 0.120 1
1 225 . 5 1 1 A 19 19 ASN H H 19 8.663 8.116 0.547 1
1 226 . 5 1 1 A 19 19 ASN HA H 19 4.548 4.449 0.099 1
1 231 . 5 1 1 A 19 19 ASN C C 19 176.165 177.368 -1.203 1
1 232 . 5 1 1 A 19 19 ASN CA C 19 55.365 56.678 -1.313 1
1 233 . 5 1 1 A 19 19 ASN CB C 19 38.196 39.760 -1.564 1
1 235 . 5 1 1 A 19 19 ASN N N 19 120.662 118.946 1.716 1
1 237 . 5 1 1 A 20 20 ALA H H 20 7.564 7.533 0.031 1
1 238 . 5 1 1 A 20 20 ALA HA H 20 4.411 4.245 0.166 1
1 242 . 5 1 1 A 20 20 ALA C C 20 175.860 177.881 -2.021 1
1 243 . 5 1 1 A 20 20 ALA CA C 20 52.478 52.376 0.102 1
1 244 . 5 1 1 A 20 20 ALA CB C 20 18.668 19.578 -0.910 1
1 245 . 5 1 1 A 20 20 ALA N N 20 120.105 118.570 1.535 1
1 246 . 5 1 1 A 21 21 GLY H H 21 7.959 8.410 -0.451 1
1 247 . 5 1 1 A 21 21 GLY HA2 H 21 4.310 3.955 0.355 1
1 248 . 5 1 1 A 21 21 GLY HA3 H 21 3.804 3.964 -0.160 1
1 249 . 5 1 1 A 21 21 GLY C C 21 175.014 174.627 0.387 1
1 250 . 5 1 1 A 21 21 GLY CA C 21 45.286 45.612 -0.326 1
1 251 . 5 1 1 A 21 21 GLY N N 21 105.589 106.797 -1.208 1
1 252 . 5 1 1 A 22 22 LEU H H 22 7.529 7.618 -0.089 1
1 253 . 5 1 1 A 22 22 LEU HA H 22 4.462 4.283 0.179 1
1 263 . 5 1 1 A 22 22 LEU C C 22 177.271 176.776 0.495 1
1 264 . 5 1 1 A 22 22 LEU CA C 22 56.388 54.631 1.757 1
1 265 . 5 1 1 A 22 22 LEU CB C 22 42.442 42.036 0.406 1
1 269 . 5 1 1 A 22 22 LEU N N 22 121.608 122.321 -0.713 1
1 270 . 5 1 1 A 23 23 THR H H 23 7.976 8.496 -0.520 1
1 271 . 5 1 1 A 23 23 THR HA H 23 4.335 4.740 -0.405 1
1 276 . 5 1 1 A 23 23 THR C C 23 175.978 176.090 -0.112 1
1 277 . 5 1 1 A 23 23 THR CA C 23 60.185 60.764 -0.579 1
1 278 . 5 1 1 A 23 23 THR CB C 23 71.142 71.059 0.083 1
1 280 . 5 1 1 A 23 23 THR N N 23 108.756 115.424 -6.668 1
1 281 . 5 1 1 A 24 24 VAL H H 24 8.201 8.952 -0.751 1
1 282 . 5 1 1 A 24 24 VAL HA H 24 3.337 3.556 -0.219 1
1 290 . 5 1 1 A 24 24 VAL C C 24 176.772 177.873 -1.101 1
1 291 . 5 1 1 A 24 24 VAL CA C 24 66.172 64.938 1.234 1
1 292 . 5 1 1 A 24 24 VAL CB C 24 30.752 31.391 -0.639 1
1 295 . 5 1 1 A 24 24 VAL N N 24 119.897 120.087 -0.190 1
1 296 . 5 1 1 A 25 25 GLY H H 25 8.328 8.236 0.092 1
1 297 . 5 1 1 A 25 25 GLY HA2 H 25 3.830 3.739 0.091 1
1 298 . 5 1 1 A 25 25 GLY HA3 H 25 3.722 3.750 -0.028 1
1 299 . 5 1 1 A 25 25 GLY C C 25 177.352 176.167 1.185 1
1 300 . 5 1 1 A 25 25 GLY CA C 25 46.824 47.441 -0.617 1
1 301 . 5 1 1 A 25 25 GLY N N 25 106.836 110.535 -3.699 1
1 302 . 5 1 1 A 26 26 SER H H 26 7.626 7.733 -0.107 1
1 303 . 5 1 1 A 26 26 SER HA H 26 4.286 4.137 0.149 1
1 306 . 5 1 1 A 26 26 SER C C 26 176.160 176.333 -0.173 1
1 307 . 5 1 1 A 26 26 SER CA C 26 61.829 62.311 -0.482 1
1 308 . 5 1 1 A 26 26 SER CB C 26 63.022 62.955 0.067 1
1 309 . 5 1 1 A 26 26 SER N N 26 118.367 119.139 -0.772 1
1 310 . 5 1 1 A 27 27 ILE H H 27 8.072 7.349 0.723 1
1 311 . 5 1 1 A 27 27 ILE HA H 27 3.494 3.474 0.020 1
1 321 . 5 1 1 A 27 27 ILE C C 27 177.364 178.039 -0.675 1
1 322 . 5 1 1 A 27 27 ILE CA C 27 66.333 64.325 2.008 1
1 323 . 5 1 1 A 27 27 ILE CB C 27 38.065 37.191 0.874 1
1 327 . 5 1 1 A 27 27 ILE N N 27 122.663 121.016 1.647 1
1 328 . 5 1 1 A 28 28 ILE H H 28 8.317 7.767 0.550 1
1 329 . 5 1 1 A 28 28 ILE HA H 28 3.790 3.445 0.345 1
1 339 . 5 1 1 A 28 28 ILE C C 28 179.278 178.391 0.887 1
1 340 . 5 1 1 A 28 28 ILE CA C 28 65.107 65.105 0.002 1
1 341 . 5 1 1 A 28 28 ILE CB C 28 38.185 37.478 0.707 1
1 345 . 5 1 1 A 28 28 ILE N N 28 119.722 121.299 -1.577 1
1 346 . 5 1 1 A 29 29 SER H H 29 7.703 7.957 -0.254 1
1 347 . 5 1 1 A 29 29 SER HA H 29 4.185 4.142 0.043 1
1 349 . 5 1 1 A 29 29 SER C C 29 176.198 177.418 -1.220 1
1 350 . 5 1 1 A 29 29 SER CA C 29 61.588 61.480 0.108 1
1 351 . 5 1 1 A 29 29 SER CB C 29 63.021 62.913 0.108 1
1 352 . 5 1 1 A 29 29 SER N N 29 114.967 115.503 -0.536 1
1 353 . 5 1 1 A 30 30 ILE H H 30 7.798 7.742 0.056 1
1 354 . 5 1 1 A 30 30 ILE HA H 30 3.884 3.760 0.124 1
1 364 . 5 1 1 A 30 30 ILE C C 30 177.721 178.284 -0.563 1
1 365 . 5 1 1 A 30 30 ILE CA C 30 64.231 64.371 -0.140 1
1 366 . 5 1 1 A 30 30 ILE CB C 30 39.382 36.862 2.520 1
1 370 . 5 1 1 A 30 30 ILE N N 30 120.517 121.402 -0.885 1
1 371 . 5 1 1 A 31 31 LEU H H 31 8.279 7.731 0.548 1
1 372 . 5 1 1 A 31 31 LEU HA H 31 4.362 4.146 0.216 1
1 382 . 5 1 1 A 31 31 LEU C C 31 178.475 177.059 1.416 1
1 383 . 5 1 1 A 31 31 LEU CA C 31 55.587 55.732 -0.145 1
1 384 . 5 1 1 A 31 31 LEU CB C 31 39.699 42.429 -2.730 1
1 388 . 5 1 1 A 31 31 LEU N N 31 117.941 119.962 -2.021 1
1 389 . 5 1 1 A 32 32 GLY H H 32 8.219 8.867 -0.648 1
1 390 . 5 1 1 A 32 32 GLY HA2 H 32 4.123 3.869 0.254 1
1 391 . 5 1 1 A 32 32 GLY HA3 H 32 3.878 3.872 0.006 1
1 392 . 5 1 1 A 32 32 GLY C C 32 175.512 173.610 1.902 1
1 393 . 5 1 1 A 32 32 GLY CA C 32 45.604 46.474 -0.870 1
1 394 . 5 1 1 A 32 32 GLY N N 32 107.591 106.658 0.933 1
1 395 . 5 1 1 A 33 33 GLY H H 33 8.667 7.268 1.399 1
1 396 . 5 1 1 A 33 33 GLY HA2 H 33 4.062 4.049 0.013 1
1 397 . 5 1 1 A 33 33 GLY HA3 H 33 3.879 4.052 -0.173 1
1 398 . 5 1 1 A 33 33 GLY C C 33 175.510 173.159 2.351 1
1 399 . 5 1 1 A 33 33 GLY CA C 33 46.603 45.623 0.980 1
1 400 . 5 1 1 A 33 33 GLY N N 33 109.700 107.047 2.653 1
1 401 . 5 1 1 A 34 34 VAL H H 34 8.049 8.342 -0.293 1
1 402 . 5 1 1 A 34 34 VAL HA H 34 4.309 4.174 0.135 1
1 410 . 5 1 1 A 34 34 VAL C C 34 176.726 176.283 0.443 1
1 411 . 5 1 1 A 34 34 VAL CA C 34 62.780 61.814 0.966 1
1 412 . 5 1 1 A 34 34 VAL CB C 34 32.022 31.157 0.865 1
1 415 . 5 1 1 A 34 34 VAL N N 34 117.737 119.680 -1.943 1
1 416 . 5 1 1 A 35 35 THR H H 35 8.141 8.877 -0.736 1
1 417 . 5 1 1 A 35 35 THR HA H 35 4.239 4.130 0.109 1
1 422 . 5 1 1 A 35 35 THR C C 35 174.905 174.305 0.600 1
1 423 . 5 1 1 A 35 35 THR CA C 35 62.571 66.029 -3.458 1
1 424 . 5 1 1 A 35 35 THR CB C 35 69.247 69.124 0.123 1
1 426 . 5 1 1 A 35 35 THR N N 35 111.884 120.204 -8.320 1
1 427 . 5 1 1 A 36 36 VAL H H 36 7.560 8.087 -0.527 1
1 428 . 5 1 1 A 36 36 VAL HA H 36 3.940 3.728 0.212 1
1 436 . 5 1 1 A 36 36 VAL C C 36 177.003 176.023 0.980 1
1 437 . 5 1 1 A 36 36 VAL CA C 36 64.440 63.386 1.054 1
1 438 . 5 1 1 A 36 36 VAL CB C 36 31.926 29.928 1.998 1
1 441 . 5 1 1 A 36 36 VAL N N 36 120.063 119.126 0.937 1
1 442 . 5 1 1 A 37 37 GLY H H 37 8.427 8.123 0.304 1
1 443 . 5 1 1 A 37 37 GLY HA2 H 37 4.143 4.015 0.128 1
1 444 . 5 1 1 A 37 37 GLY HA3 H 37 4.077 4.043 0.034 1
1 445 . 5 1 1 A 37 37 GLY C C 37 176.084 175.179 0.905 1
1 446 . 5 1 1 A 37 37 GLY CA C 37 45.593 45.984 -0.391 1
1 447 . 5 1 1 A 37 37 GLY N N 37 110.570 108.201 2.369 1
1 448 . 5 1 1 A 38 38 LEU H H 38 8.157 8.414 -0.257 1
1 449 . 5 1 1 A 38 38 LEU HA H 38 4.094 3.916 0.178 1
1 458 . 5 1 1 A 38 38 LEU C C 38 177.948 179.100 -1.152 1
1 459 . 5 1 1 A 38 38 LEU CA C 38 56.472 58.001 -1.529 1
1 460 . 5 1 1 A 38 38 LEU CB C 38 42.644 41.529 1.115 1
1 464 . 5 1 1 A 38 38 LEU N N 38 121.095 122.104 -1.009 1
1 465 . 5 1 1 A 39 39 SER H H 39 8.417 8.322 0.095 1
1 466 . 5 1 1 A 39 39 SER HA H 39 3.921 4.172 -0.251 1
1 469 . 5 1 1 A 39 39 SER C C 39 176.742 176.928 -0.186 1
1 470 . 5 1 1 A 39 39 SER CA C 39 62.250 62.969 -0.719 1
1 471 . 5 1 1 A 39 39 SER CB C 39 62.228 62.432 -0.204 1
1 472 . 5 1 1 A 39 39 SER N N 39 113.122 116.314 -3.192 1
1 473 . 5 1 1 A 40 40 GLY H H 40 8.169 7.796 0.373 1
1 474 . 5 1 1 A 40 40 GLY HA2 H 40 4.108 3.959 0.149 1
1 475 . 5 1 1 A 40 40 GLY HA3 H 40 3.990 3.961 0.029 1
1 476 . 5 1 1 A 40 40 GLY C C 40 175.225 175.363 -0.138 1
1 477 . 5 1 1 A 40 40 GLY CA C 40 46.354 47.014 -0.660 1
1 478 . 5 1 1 A 40 40 GLY N N 40 107.856 109.228 -1.372 1
1 479 . 5 1 1 A 41 41 VAL H H 41 7.321 7.874 -0.553 1
1 480 . 5 1 1 A 41 41 VAL HA H 41 4.482 4.010 0.472 1
1 488 . 5 1 1 A 41 41 VAL C C 41 176.112 177.454 -1.342 1
1 489 . 5 1 1 A 41 41 VAL CA C 41 61.490 63.984 -2.494 1
1 490 . 5 1 1 A 41 41 VAL CB C 41 33.211 32.038 1.173 1
1 493 . 5 1 1 A 41 41 VAL N N 41 114.922 121.618 -6.696 1
1 494 . 5 1 1 A 42 42 PHE H H 42 7.832 7.947 -0.115 1
1 495 . 5 1 1 A 42 42 PHE HA H 42 3.890 3.938 -0.048 1
1 501 . 5 1 1 A 42 42 PHE C C 42 176.656 177.204 -0.548 1
1 502 . 5 1 1 A 42 42 PHE CA C 42 62.384 61.759 0.625 1
1 503 . 5 1 1 A 42 42 PHE CB C 42 39.677 38.841 0.836 1
1 507 . 5 1 1 A 42 42 PHE N N 42 122.726 123.088 -0.362 1
1 508 . 5 1 1 A 43 43 THR H H 43 8.606 7.720 0.886 1
1 509 . 5 1 1 A 43 43 THR HA H 43 3.771 3.937 -0.166 1
1 514 . 5 1 1 A 43 43 THR C C 43 176.755 176.667 0.088 1
1 515 . 5 1 1 A 43 43 THR CA C 43 66.787 66.813 -0.026 1
1 516 . 5 1 1 A 43 43 THR CB C 43 68.302 68.768 -0.466 1
1 518 . 5 1 1 A 43 43 THR N N 43 113.613 114.923 -1.310 1
1 519 . 5 1 1 A 44 44 ALA H H 44 7.860 8.112 -0.252 1
1 520 . 5 1 1 A 44 44 ALA HA H 44 4.203 4.031 0.172 1
1 524 . 5 1 1 A 44 44 ALA C C 44 181.044 180.468 0.576 1
1 525 . 5 1 1 A 44 44 ALA CA C 44 54.896 55.197 -0.301 1
1 526 . 5 1 1 A 44 44 ALA CB C 44 17.985 18.178 -0.193 1
1 527 . 5 1 1 A 44 44 ALA N N 44 125.406 124.035 1.371 1
1 528 . 5 1 1 A 45 45 VAL H H 45 8.391 7.422 0.969 1
1 529 . 5 1 1 A 45 45 VAL HA H 45 3.565 3.383 0.182 1
1 537 . 5 1 1 A 45 45 VAL C C 45 177.079 177.598 -0.519 1
1 538 . 5 1 1 A 45 45 VAL CA C 45 66.523 66.368 0.155 1
1 539 . 5 1 1 A 45 45 VAL CB C 45 31.323 31.206 0.117 1
1 542 . 5 1 1 A 45 45 VAL N N 45 120.467 117.745 2.722 1
1 543 . 5 1 1 A 46 46 LYS H H 46 8.270 7.938 0.332 1
1 544 . 5 1 1 A 46 46 LYS HA H 46 3.699 3.801 -0.102 1
1 550 . 5 1 1 A 46 46 LYS C C 46 179.171 178.485 0.686 1
1 551 . 5 1 1 A 46 46 LYS CA C 46 60.606 59.184 1.422 1
1 552 . 5 1 1 A 46 46 LYS CB C 46 32.057 32.308 -0.251 1
1 556 . 5 1 1 A 46 46 LYS N N 46 120.461 120.142 0.319 1
1 557 . 5 1 1 A 47 47 ALA H H 47 7.854 8.047 -0.193 1
1 558 . 5 1 1 A 47 47 ALA HA H 47 4.192 4.061 0.131 1
1 562 . 5 1 1 A 47 47 ALA C C 47 179.565 179.836 -0.271 1
1 563 . 5 1 1 A 47 47 ALA CA C 47 54.782 54.887 -0.105 1
1 564 . 5 1 1 A 47 47 ALA CB C 47 18.004 18.250 -0.246 1
1 565 . 5 1 1 A 47 47 ALA N N 47 120.799 121.168 -0.369 1
1 566 . 5 1 1 A 48 48 ALA H H 48 7.931 7.716 0.215 1
1 567 . 5 1 1 A 48 48 ALA HA H 48 4.232 4.103 0.129 1
1 571 . 5 1 1 A 48 48 ALA C C 48 180.197 179.825 0.372 1
1 572 . 5 1 1 A 48 48 ALA CA C 48 55.028 54.968 0.060 1
1 573 . 5 1 1 A 48 48 ALA CB C 48 17.968 18.411 -0.443 1
1 574 . 5 1 1 A 48 48 ALA N N 48 120.585 120.309 0.276 1
1 575 . 5 1 1 A 49 49 ILE H H 49 8.270 7.812 0.458 1
1 576 . 5 1 1 A 49 49 ILE HA H 49 3.190 3.481 -0.291 1
1 586 . 5 1 1 A 49 49 ILE C C 49 177.762 177.977 -0.215 1
1 587 . 5 1 1 A 49 49 ILE CA C 49 66.396 65.500 0.896 1
1 588 . 5 1 1 A 49 49 ILE CB C 49 38.698 37.650 1.048 1
1 592 . 5 1 1 A 49 49 ILE N N 49 118.535 119.995 -1.460 1
1 593 . 5 1 1 A 50 50 ALA H H 50 7.198 8.302 -1.104 1
1 594 . 5 1 1 A 50 50 ALA HA H 50 4.154 4.060 0.094 1
1 598 . 5 1 1 A 50 50 ALA C C 50 179.323 179.834 -0.511 1
1 599 . 5 1 1 A 50 50 ALA CA C 50 54.684 54.757 -0.073 1
1 600 . 5 1 1 A 50 50 ALA CB C 50 18.877 18.143 0.734 1
1 601 . 5 1 1 A 50 50 ALA N N 50 118.853 121.551 -2.698 1
1 602 . 5 1 1 A 51 51 LYS H H 51 8.047 7.595 0.452 1
1 603 . 5 1 1 A 51 51 LYS HA H 51 4.372 4.050 0.322 1
1 609 . 5 1 1 A 51 51 LYS C C 51 177.694 177.698 -0.004 1
1 610 . 5 1 1 A 51 51 LYS CA C 51 57.678 58.819 -1.141 1
1 611 . 5 1 1 A 51 51 LYS CB C 51 34.279 32.936 1.343 1
1 615 . 5 1 1 A 51 51 LYS N N 51 114.606 118.496 -3.890 1
1 616 . 5 1 1 A 52 52 GLN H H 52 8.707 8.320 0.387 1
1 617 . 5 1 1 A 52 52 GLN HA H 52 4.592 4.496 0.096 1
1 624 . 5 1 1 A 52 52 GLN C C 52 176.792 176.136 0.656 1
1 625 . 5 1 1 A 52 52 GLN CA C 52 56.454 56.611 -0.157 1
1 626 . 5 1 1 A 52 52 GLN CB C 52 31.792 31.357 0.435 1
1 629 . 5 1 1 A 52 52 GLN N N 52 115.942 115.843 0.099 1
1 631 . 5 1 1 A 53 53 GLY H H 53 8.045 7.321 0.724 1
1 632 . 5 1 1 A 53 53 GLY HA2 H 53 4.568 4.060 0.508 1
1 633 . 5 1 1 A 53 53 GLY HA3 H 53 4.066 4.061 0.005 1
1 634 . 5 1 1 A 53 53 GLY C C 53 173.741 174.541 -0.800 1
1 635 . 5 1 1 A 53 53 GLY CA C 53 44.553 45.845 -1.292 1
1 636 . 5 1 1 A 53 53 GLY N N 53 110.313 103.286 7.027 1
1 637 . 5 1 1 A 54 54 ILE H H 54 8.281 8.674 -0.393 1
1 638 . 5 1 1 A 54 54 ILE HA H 54 3.583 3.748 -0.165 1
1 648 . 5 1 1 A 54 54 ILE C C 54 177.313 177.969 -0.656 1
1 649 . 5 1 1 A 54 54 ILE CA C 54 65.253 64.343 0.910 1
1 650 . 5 1 1 A 54 54 ILE CB C 54 38.489 37.639 0.850 1
1 654 . 5 1 1 A 54 54 ILE N N 54 117.579 119.448 -1.869 1
1 655 . 5 1 1 A 55 55 LYS H H 55 8.334 8.275 0.059 1
1 656 . 5 1 1 A 55 55 LYS HA H 55 3.955 4.057 -0.102 1
1 663 . 5 1 1 A 55 55 LYS C C 55 180.026 178.544 1.482 1
1 664 . 5 1 1 A 55 55 LYS CA C 55 60.343 59.127 1.216 1
1 665 . 5 1 1 A 55 55 LYS CB C 55 31.693 32.119 -0.426 1
1 669 . 5 1 1 A 55 55 LYS N N 55 119.039 123.032 -3.993 1
1 670 . 5 1 1 A 56 56 LYS H H 56 7.987 8.089 -0.102 1
1 671 . 5 1 1 A 56 56 LYS HA H 56 4.130 4.042 0.088 1
1 677 . 5 1 1 A 56 56 LYS C C 56 178.612 179.416 -0.804 1
1 678 . 5 1 1 A 56 56 LYS CA C 56 57.715 59.470 -1.755 1
1 679 . 5 1 1 A 56 56 LYS CB C 56 31.714 32.222 -0.508 1
1 683 . 5 1 1 A 56 56 LYS N N 56 119.113 119.716 -0.603 1
1 684 . 5 1 1 A 57 57 ALA H H 57 7.735 7.586 0.149 1
1 685 . 5 1 1 A 57 57 ALA HA H 57 3.911 3.958 -0.047 1
1 689 . 5 1 1 A 57 57 ALA C C 57 178.713 180.435 -1.722 1
1 690 . 5 1 1 A 57 57 ALA CA C 57 55.568 54.913 0.655 1
1 691 . 5 1 1 A 57 57 ALA CB C 57 19.922 18.333 1.589 1
1 692 . 5 1 1 A 57 57 ALA N N 57 122.357 121.427 0.930 1
1 693 . 5 1 1 A 58 58 ILE H H 58 8.257 7.564 0.693 1
1 694 . 5 1 1 A 58 58 ILE HA H 58 3.452 3.585 -0.133 1
1 704 . 5 1 1 A 58 58 ILE C C 58 177.688 177.921 -0.233 1
1 705 . 5 1 1 A 58 58 ILE CA C 58 66.157 65.383 0.774 1
1 706 . 5 1 1 A 58 58 ILE CB C 58 38.306 37.977 0.329 1
1 710 . 5 1 1 A 58 58 ILE N N 58 117.279 119.193 -1.914 1
1 711 . 5 1 1 A 59 59 GLN H H 59 7.752 7.886 -0.134 1
1 712 . 5 1 1 A 59 59 GLN HA H 59 3.916 4.135 -0.219 1
1 719 . 5 1 1 A 59 59 GLN C C 59 178.976 178.863 0.113 1
1 720 . 5 1 1 A 59 59 GLN CA C 59 59.112 58.752 0.360 1
1 721 . 5 1 1 A 59 59 GLN CB C 59 28.189 28.222 -0.033 1
1 724 . 5 1 1 A 59 59 GLN N N 59 117.533 118.720 -1.187 1
1 18 . 6 1 1 A 2 2 VAL H H 2 8.475 8.117 0.358 1
1 19 . 6 1 1 A 2 2 VAL HA H 2 4.528 3.945 0.583 1
1 27 . 6 1 1 A 2 2 VAL C C 2 181.462 178.096 3.366 1
1 28 . 6 1 1 A 2 2 VAL CA C 2 65.162 66.550 -1.388 1
1 29 . 6 1 1 A 2 2 VAL CB C 2 31.895 31.585 0.310 1
1 32 . 6 1 1 A 2 2 VAL N N 2 121.849 117.037 4.812 1
1 33 . 6 1 1 A 3 3 ALA H H 3 8.256 8.509 -0.253 1
1 34 . 6 1 1 A 3 3 ALA HA H 3 4.173 4.104 0.069 1
1 38 . 6 1 1 A 3 3 ALA C C 3 179.402 179.773 -0.371 1
1 39 . 6 1 1 A 3 3 ALA CA C 3 54.725 54.920 -0.195 1
1 40 . 6 1 1 A 3 3 ALA CB C 3 17.784 18.256 -0.472 1
1 41 . 6 1 1 A 3 3 ALA N N 3 124.615 121.645 2.970 1
1 42 . 6 1 1 A 4 4 TYR H H 4 7.717 8.202 -0.485 1
1 43 . 6 1 1 A 4 4 TYR HA H 4 4.465 4.270 0.195 1
1 48 . 6 1 1 A 4 4 TYR C C 4 177.710 176.652 1.058 1
1 49 . 6 1 1 A 4 4 TYR CA C 4 58.648 61.299 -2.651 1
1 50 . 6 1 1 A 4 4 TYR CB C 4 38.838 39.299 -0.461 1
1 53 . 6 1 1 A 4 4 TYR N N 4 117.777 119.045 -1.268 1
1 54 . 6 1 1 A 5 5 GLY H H 5 7.942 8.007 -0.065 1
1 55 . 6 1 1 A 5 5 GLY HA2 H 5 4.373 4.198 0.175 1
1 56 . 6 1 1 A 5 5 GLY HA3 H 5 3.699 4.213 -0.514 1
1 57 . 6 1 1 A 5 5 GLY C C 5 174.273 173.787 0.486 1
1 58 . 6 1 1 A 5 5 GLY CA C 5 45.019 45.428 -0.409 1
1 59 . 6 1 1 A 5 5 GLY N N 5 105.556 104.785 0.771 1
1 60 . 6 1 1 A 6 6 ILE H H 6 7.844 8.086 -0.242 1
1 61 . 6 1 1 A 6 6 ILE HA H 6 4.135 4.671 -0.536 1
1 71 . 6 1 1 A 6 6 ILE C C 6 174.476 174.929 -0.453 1
1 72 . 6 1 1 A 6 6 ILE CA C 6 59.997 59.425 0.572 1
1 73 . 6 1 1 A 6 6 ILE CB C 6 37.498 41.858 -4.360 1
1 77 . 6 1 1 A 6 6 ILE N N 6 123.172 120.538 2.634 1
1 78 . 6 1 1 A 7 7 ALA H H 7 8.361 8.639 -0.278 1
1 79 . 6 1 1 A 7 7 ALA HA H 7 4.205 4.269 -0.064 1
1 83 . 6 1 1 A 7 7 ALA C C 7 178.710 178.239 0.471 1
1 84 . 6 1 1 A 7 7 ALA CA C 7 52.736 52.692 0.044 1
1 85 . 6 1 1 A 7 7 ALA CB C 7 19.343 19.203 0.140 1
1 86 . 6 1 1 A 7 7 ALA N N 7 128.201 129.296 -1.095 1
1 87 . 6 1 1 A 8 8 GLN H H 8 8.929 8.789 0.140 1
1 88 . 6 1 1 A 8 8 GLN HA H 8 3.670 3.989 -0.319 1
1 95 . 6 1 1 A 8 8 GLN C C 8 177.362 178.272 -0.910 1
1 96 . 6 1 1 A 8 8 GLN CA C 8 60.337 59.080 1.257 1
1 97 . 6 1 1 A 8 8 GLN CB C 8 28.290 28.380 -0.090 1
1 100 . 6 1 1 A 8 8 GLN N N 8 121.784 122.296 -0.512 1
1 102 . 6 1 1 A 9 9 GLY H H 9 9.034 8.269 0.765 1
1 103 . 6 1 1 A 9 9 GLY HA2 H 9 3.891 3.641 0.250 1
1 104 . 6 1 1 A 9 9 GLY C C 9 177.273 176.721 0.552 1
1 105 . 6 1 1 A 9 9 GLY CA C 9 47.126 47.217 -0.091 1
1 106 . 6 1 1 A 9 9 GLY N N 9 105.262 107.214 -1.952 1
1 107 . 6 1 1 A 10 10 THR H H 10 7.254 8.059 -0.805 1
1 108 . 6 1 1 A 10 10 THR HA H 10 4.010 4.101 -0.091 1
1 113 . 6 1 1 A 10 10 THR C C 10 175.476 176.297 -0.821 1
1 114 . 6 1 1 A 10 10 THR CA C 10 65.939 65.459 0.480 1
1 115 . 6 1 1 A 10 10 THR CB C 10 68.252 68.705 -0.453 1
1 117 . 6 1 1 A 10 10 THR N N 10 118.993 117.662 1.331 1
1 118 . 6 1 1 A 11 11 ALA H H 11 9.152 8.087 1.065 1
1 119 . 6 1 1 A 11 11 ALA HA H 11 3.759 3.967 -0.208 1
1 123 . 6 1 1 A 11 11 ALA C C 11 178.878 180.050 -1.172 1
1 124 . 6 1 1 A 11 11 ALA CA C 11 55.756 55.457 0.299 1
1 125 . 6 1 1 A 11 11 ALA CB C 11 19.820 18.482 1.338 1
1 126 . 6 1 1 A 11 11 ALA N N 11 126.026 122.950 3.076 1
1 127 . 6 1 1 A 12 12 GLU H H 12 8.442 8.008 0.434 1
1 128 . 6 1 1 A 12 12 GLU HA H 12 3.748 4.092 -0.344 1
1 133 . 6 1 1 A 12 12 GLU C C 12 179.309 179.184 0.125 1
1 134 . 6 1 1 A 12 12 GLU CA C 12 59.899 58.580 1.319 1
1 135 . 6 1 1 A 12 12 GLU CB C 12 29.713 29.454 0.259 1
1 137 . 6 1 1 A 12 12 GLU N N 12 115.831 118.770 -2.939 1
1 138 . 6 1 1 A 13 13 LYS H H 13 7.253 7.689 -0.436 1
1 139 . 6 1 1 A 13 13 LYS HA H 13 4.147 4.054 0.093 1
1 145 . 6 1 1 A 13 13 LYS C C 13 178.842 179.294 -0.452 1
1 146 . 6 1 1 A 13 13 LYS CA C 13 59.198 59.402 -0.204 1
1 147 . 6 1 1 A 13 13 LYS CB C 13 32.678 32.566 0.112 1
1 150 . 6 1 1 A 13 13 LYS N N 13 119.708 119.844 -0.136 1
1 151 . 6 1 1 A 14 14 VAL H H 14 8.649 8.193 0.456 1
1 152 . 6 1 1 A 14 14 VAL HA H 14 3.368 3.869 -0.501 1
1 160 . 6 1 1 A 14 14 VAL C C 14 177.806 178.300 -0.494 1
1 161 . 6 1 1 A 14 14 VAL CA C 14 67.448 65.767 1.681 1
1 162 . 6 1 1 A 14 14 VAL CB C 14 31.423 31.666 -0.243 1
1 165 . 6 1 1 A 14 14 VAL N N 14 119.012 115.980 3.032 1
1 166 . 6 1 1 A 15 15 VAL H H 15 8.172 8.065 0.107 1
1 167 . 6 1 1 A 15 15 VAL HA H 15 3.418 3.535 -0.117 1
1 175 . 6 1 1 A 15 15 VAL C C 15 177.325 178.309 -0.984 1
1 176 . 6 1 1 A 15 15 VAL CA C 15 67.632 66.662 0.970 1
1 177 . 6 1 1 A 15 15 VAL CB C 15 31.168 31.517 -0.349 1
1 180 . 6 1 1 A 15 15 VAL N N 15 117.226 121.640 -4.414 1
1 181 . 6 1 1 A 16 16 SER H H 16 7.804 7.919 -0.115 1
1 182 . 6 1 1 A 16 16 SER HA H 16 4.232 4.128 0.104 1
1 185 . 6 1 1 A 16 16 SER C C 16 177.563 176.952 0.611 1
1 186 . 6 1 1 A 16 16 SER CA C 16 61.988 61.240 0.748 1
1 187 . 6 1 1 A 16 16 SER CB C 16 62.781 63.087 -0.306 1
1 188 . 6 1 1 A 16 16 SER N N 16 115.358 115.526 -0.168 1
1 189 . 6 1 1 A 17 17 LEU H H 17 8.089 7.940 0.149 1
1 190 . 6 1 1 A 17 17 LEU HA H 17 4.234 4.084 0.150 1
1 200 . 6 1 1 A 17 17 LEU C C 17 179.382 179.904 -0.522 1
1 201 . 6 1 1 A 17 17 LEU CA C 17 57.908 57.687 0.221 1
1 202 . 6 1 1 A 17 17 LEU CB C 17 41.459 41.420 0.039 1
1 206 . 6 1 1 A 17 17 LEU N N 17 121.995 122.352 -0.357 1
1 207 . 6 1 1 A 18 18 ILE H H 18 8.690 8.250 0.440 1
1 208 . 6 1 1 A 18 18 ILE HA H 18 3.799 3.684 0.115 1
1 218 . 6 1 1 A 18 18 ILE C C 18 181.545 178.190 3.355 1
1 219 . 6 1 1 A 18 18 ILE CA C 18 65.849 64.998 0.851 1
1 220 . 6 1 1 A 18 18 ILE CB C 18 37.844 37.355 0.489 1
1 224 . 6 1 1 A 18 18 ILE N N 18 121.273 120.779 0.494 1
1 225 . 6 1 1 A 19 19 ASN H H 19 8.663 8.022 0.641 1
1 226 . 6 1 1 A 19 19 ASN HA H 19 4.548 4.538 0.010 1
1 231 . 6 1 1 A 19 19 ASN C C 19 176.165 177.226 -1.061 1
1 232 . 6 1 1 A 19 19 ASN CA C 19 55.365 56.241 -0.876 1
1 233 . 6 1 1 A 19 19 ASN CB C 19 38.196 39.206 -1.010 1
1 235 . 6 1 1 A 19 19 ASN N N 19 120.662 120.442 0.220 1
1 237 . 6 1 1 A 20 20 ALA H H 20 7.564 7.274 0.290 1
1 238 . 6 1 1 A 20 20 ALA HA H 20 4.411 4.249 0.162 1
1 242 . 6 1 1 A 20 20 ALA C C 20 175.860 178.033 -2.173 1
1 243 . 6 1 1 A 20 20 ALA CA C 20 52.478 52.402 0.076 1
1 244 . 6 1 1 A 20 20 ALA CB C 20 18.668 19.603 -0.935 1
1 245 . 6 1 1 A 20 20 ALA N N 20 120.105 119.023 1.082 1
1 246 . 6 1 1 A 21 21 GLY H H 21 7.959 8.291 -0.332 1
1 247 . 6 1 1 A 21 21 GLY HA2 H 21 4.310 3.961 0.349 1
1 248 . 6 1 1 A 21 21 GLY HA3 H 21 3.804 3.970 -0.166 1
1 249 . 6 1 1 A 21 21 GLY C C 21 175.014 174.896 0.118 1
1 250 . 6 1 1 A 21 21 GLY CA C 21 45.286 45.718 -0.432 1
1 251 . 6 1 1 A 21 21 GLY N N 21 105.589 107.693 -2.104 1
1 252 . 6 1 1 A 22 22 LEU H H 22 7.529 7.805 -0.276 1
1 253 . 6 1 1 A 22 22 LEU HA H 22 4.462 4.467 -0.005 1
1 263 . 6 1 1 A 22 22 LEU C C 22 177.271 176.630 0.641 1
1 264 . 6 1 1 A 22 22 LEU CA C 22 56.388 54.238 2.150 1
1 265 . 6 1 1 A 22 22 LEU CB C 22 42.442 43.394 -0.952 1
1 269 . 6 1 1 A 22 22 LEU N N 22 121.608 120.312 1.296 1
1 270 . 6 1 1 A 23 23 THR H H 23 7.976 8.665 -0.689 1
1 271 . 6 1 1 A 23 23 THR HA H 23 4.335 4.789 -0.454 1
1 276 . 6 1 1 A 23 23 THR C C 23 175.978 175.531 0.447 1
1 277 . 6 1 1 A 23 23 THR CA C 23 60.185 60.584 -0.399 1
1 278 . 6 1 1 A 23 23 THR CB C 23 71.142 70.807 0.335 1
1 280 . 6 1 1 A 23 23 THR N N 23 108.756 112.871 -4.115 1
1 281 . 6 1 1 A 24 24 VAL H H 24 8.201 8.744 -0.543 1
1 282 . 6 1 1 A 24 24 VAL HA H 24 3.337 3.658 -0.321 1
1 290 . 6 1 1 A 24 24 VAL C C 24 176.772 177.763 -0.991 1
1 291 . 6 1 1 A 24 24 VAL CA C 24 66.172 65.903 0.269 1
1 292 . 6 1 1 A 24 24 VAL CB C 24 30.752 31.642 -0.890 1
1 295 . 6 1 1 A 24 24 VAL N N 24 119.897 122.398 -2.501 1
1 296 . 6 1 1 A 25 25 GLY H H 25 8.328 8.284 0.044 1
1 297 . 6 1 1 A 25 25 GLY HA2 H 25 3.830 3.777 0.053 1
1 298 . 6 1 1 A 25 25 GLY HA3 H 25 3.722 3.797 -0.075 1
1 299 . 6 1 1 A 25 25 GLY C C 25 177.352 175.829 1.523 1
1 300 . 6 1 1 A 25 25 GLY CA C 25 46.824 47.318 -0.494 1
1 301 . 6 1 1 A 25 25 GLY N N 25 106.836 109.394 -2.558 1
1 302 . 6 1 1 A 26 26 SER H H 26 7.626 8.288 -0.662 1
1 303 . 6 1 1 A 26 26 SER HA H 26 4.286 4.145 0.141 1
1 306 . 6 1 1 A 26 26 SER C C 26 176.160 177.257 -1.097 1
1 307 . 6 1 1 A 26 26 SER CA C 26 61.829 60.841 0.988 1
1 308 . 6 1 1 A 26 26 SER CB C 26 63.022 63.037 -0.015 1
1 309 . 6 1 1 A 26 26 SER N N 26 118.367 116.708 1.659 1
1 310 . 6 1 1 A 27 27 ILE H H 27 8.072 7.707 0.365 1
1 311 . 6 1 1 A 27 27 ILE HA H 27 3.494 3.455 0.039 1
1 321 . 6 1 1 A 27 27 ILE C C 27 177.364 178.139 -0.775 1
1 322 . 6 1 1 A 27 27 ILE CA C 27 66.333 64.937 1.396 1
1 323 . 6 1 1 A 27 27 ILE CB C 27 38.065 37.442 0.623 1
1 327 . 6 1 1 A 27 27 ILE N N 27 122.663 121.942 0.721 1
1 328 . 6 1 1 A 28 28 ILE H H 28 8.317 7.598 0.719 1
1 329 . 6 1 1 A 28 28 ILE HA H 28 3.790 3.453 0.337 1
1 339 . 6 1 1 A 28 28 ILE C C 28 179.278 177.875 1.403 1
1 340 . 6 1 1 A 28 28 ILE CA C 28 65.107 65.035 0.072 1
1 341 . 6 1 1 A 28 28 ILE CB C 28 38.185 37.548 0.637 1
1 345 . 6 1 1 A 28 28 ILE N N 28 119.722 120.516 -0.794 1
1 346 . 6 1 1 A 29 29 SER H H 29 7.703 7.568 0.135 1
1 347 . 6 1 1 A 29 29 SER HA H 29 4.185 4.088 0.097 1
1 349 . 6 1 1 A 29 29 SER C C 29 176.198 177.098 -0.900 1
1 350 . 6 1 1 A 29 29 SER CA C 29 61.588 61.543 0.045 1
1 351 . 6 1 1 A 29 29 SER CB C 29 63.021 62.876 0.145 1
1 352 . 6 1 1 A 29 29 SER N N 29 114.967 115.629 -0.662 1
1 353 . 6 1 1 A 30 30 ILE H H 30 7.798 7.398 0.400 1
1 354 . 6 1 1 A 30 30 ILE HA H 30 3.884 3.765 0.119 1
1 364 . 6 1 1 A 30 30 ILE C C 30 177.721 178.801 -1.080 1
1 365 . 6 1 1 A 30 30 ILE CA C 30 64.231 64.074 0.157 1
1 366 . 6 1 1 A 30 30 ILE CB C 30 39.382 37.332 2.050 1
1 370 . 6 1 1 A 30 30 ILE N N 30 120.517 122.019 -1.502 1
1 371 . 6 1 1 A 31 31 LEU H H 31 8.279 7.436 0.843 1
1 372 . 6 1 1 A 31 31 LEU HA H 31 4.362 4.192 0.170 1
1 382 . 6 1 1 A 31 31 LEU C C 31 178.475 176.747 1.728 1
1 383 . 6 1 1 A 31 31 LEU CA C 31 55.587 55.825 -0.238 1
1 384 . 6 1 1 A 31 31 LEU CB C 31 39.699 42.999 -3.300 1
1 388 . 6 1 1 A 31 31 LEU N N 31 117.941 119.495 -1.554 1
1 389 . 6 1 1 A 32 32 GLY H H 32 8.219 7.997 0.222 1
1 390 . 6 1 1 A 32 32 GLY HA2 H 32 4.123 3.999 0.124 1
1 391 . 6 1 1 A 32 32 GLY HA3 H 32 3.878 4.000 -0.122 1
1 392 . 6 1 1 A 32 32 GLY C C 32 175.512 175.391 0.121 1
1 393 . 6 1 1 A 32 32 GLY CA C 32 45.604 45.306 0.298 1
1 394 . 6 1 1 A 32 32 GLY N N 32 107.591 106.264 1.327 1
1 395 . 6 1 1 A 33 33 GLY H H 33 8.667 8.585 0.082 1
1 396 . 6 1 1 A 33 33 GLY HA2 H 33 4.062 4.011 0.051 1
1 397 . 6 1 1 A 33 33 GLY HA3 H 33 3.879 4.018 -0.139 1
1 398 . 6 1 1 A 33 33 GLY C C 33 175.510 174.998 0.512 1
1 399 . 6 1 1 A 33 33 GLY CA C 33 46.603 45.132 1.471 1
1 400 . 6 1 1 A 33 33 GLY N N 33 109.700 108.998 0.702 1
1 401 . 6 1 1 A 34 34 VAL H H 34 8.049 8.128 -0.079 1
1 402 . 6 1 1 A 34 34 VAL HA H 34 4.309 3.960 0.349 1
1 410 . 6 1 1 A 34 34 VAL C C 34 176.726 176.546 0.180 1
1 411 . 6 1 1 A 34 34 VAL CA C 34 62.780 65.067 -2.287 1
1 412 . 6 1 1 A 34 34 VAL CB C 34 32.022 31.639 0.383 1
1 415 . 6 1 1 A 34 34 VAL N N 34 117.737 119.200 -1.463 1
1 416 . 6 1 1 A 35 35 THR H H 35 8.141 7.556 0.585 1
1 417 . 6 1 1 A 35 35 THR HA H 35 4.239 4.376 -0.137 1
1 422 . 6 1 1 A 35 35 THR C C 35 174.905 174.738 0.167 1
1 423 . 6 1 1 A 35 35 THR CA C 35 62.571 62.307 0.264 1
1 424 . 6 1 1 A 35 35 THR CB C 35 69.247 69.389 -0.142 1
1 426 . 6 1 1 A 35 35 THR N N 35 111.884 112.486 -0.602 1
1 427 . 6 1 1 A 36 36 VAL H H 36 7.560 7.024 0.536 1
1 428 . 6 1 1 A 36 36 VAL HA H 36 3.940 3.944 -0.004 1
1 436 . 6 1 1 A 36 36 VAL C C 36 177.003 176.286 0.717 1
1 437 . 6 1 1 A 36 36 VAL CA C 36 64.440 63.190 1.250 1
1 438 . 6 1 1 A 36 36 VAL CB C 36 31.926 31.301 0.625 1
1 441 . 6 1 1 A 36 36 VAL N N 36 120.063 123.153 -3.090 1
1 442 . 6 1 1 A 37 37 GLY H H 37 8.427 8.281 0.146 1
1 443 . 6 1 1 A 37 37 GLY HA2 H 37 4.143 3.930 0.213 1
1 444 . 6 1 1 A 37 37 GLY HA3 H 37 4.077 3.932 0.145 1
1 445 . 6 1 1 A 37 37 GLY C C 37 176.084 175.057 1.027 1
1 446 . 6 1 1 A 37 37 GLY CA C 37 45.593 45.445 0.148 1
1 447 . 6 1 1 A 37 37 GLY N N 37 110.570 113.166 -2.596 1
1 448 . 6 1 1 A 38 38 LEU H H 38 8.157 7.892 0.265 1
1 449 . 6 1 1 A 38 38 LEU HA H 38 4.094 3.917 0.177 1
1 458 . 6 1 1 A 38 38 LEU C C 38 177.948 178.979 -1.031 1
1 459 . 6 1 1 A 38 38 LEU CA C 38 56.472 58.006 -1.534 1
1 460 . 6 1 1 A 38 38 LEU CB C 38 42.644 41.405 1.239 1
1 464 . 6 1 1 A 38 38 LEU N N 38 121.095 121.112 -0.017 1
1 465 . 6 1 1 A 39 39 SER H H 39 8.417 8.135 0.282 1
1 466 . 6 1 1 A 39 39 SER HA H 39 3.921 4.234 -0.313 1
1 469 . 6 1 1 A 39 39 SER C C 39 176.742 176.949 -0.207 1
1 470 . 6 1 1 A 39 39 SER CA C 39 62.250 60.990 1.260 1
1 471 . 6 1 1 A 39 39 SER CB C 39 62.228 63.134 -0.906 1
1 472 . 6 1 1 A 39 39 SER N N 39 113.122 115.060 -1.938 1
1 473 . 6 1 1 A 40 40 GLY H H 40 8.169 8.124 0.045 1
1 474 . 6 1 1 A 40 40 GLY HA2 H 40 4.108 3.832 0.276 1
1 475 . 6 1 1 A 40 40 GLY HA3 H 40 3.990 3.855 0.135 1
1 476 . 6 1 1 A 40 40 GLY C C 40 175.225 175.117 0.108 1
1 477 . 6 1 1 A 40 40 GLY CA C 40 46.354 46.592 -0.238 1
1 478 . 6 1 1 A 40 40 GLY N N 40 107.856 107.092 0.764 1
1 479 . 6 1 1 A 41 41 VAL H H 41 7.321 7.768 -0.447 1
1 480 . 6 1 1 A 41 41 VAL HA H 41 4.482 4.126 0.356 1
1 488 . 6 1 1 A 41 41 VAL C C 41 176.112 177.652 -1.540 1
1 489 . 6 1 1 A 41 41 VAL CA C 41 61.490 62.555 -1.065 1
1 490 . 6 1 1 A 41 41 VAL CB C 41 33.211 32.161 1.050 1
1 493 . 6 1 1 A 41 41 VAL N N 41 114.922 117.030 -2.108 1
1 494 . 6 1 1 A 42 42 PHE H H 42 7.832 8.430 -0.598 1
1 495 . 6 1 1 A 42 42 PHE HA H 42 3.890 4.001 -0.111 1
1 501 . 6 1 1 A 42 42 PHE C C 42 176.656 177.281 -0.625 1
1 502 . 6 1 1 A 42 42 PHE CA C 42 62.384 61.623 0.761 1
1 503 . 6 1 1 A 42 42 PHE CB C 42 39.677 39.251 0.426 1
1 507 . 6 1 1 A 42 42 PHE N N 42 122.726 124.466 -1.740 1
1 508 . 6 1 1 A 43 43 THR H H 43 8.606 8.201 0.405 1
1 509 . 6 1 1 A 43 43 THR HA H 43 3.771 3.945 -0.174 1
1 514 . 6 1 1 A 43 43 THR C C 43 176.755 176.450 0.305 1
1 515 . 6 1 1 A 43 43 THR CA C 43 66.787 66.740 0.047 1
1 516 . 6 1 1 A 43 43 THR CB C 43 68.302 68.683 -0.381 1
1 518 . 6 1 1 A 43 43 THR N N 43 113.613 113.803 -0.190 1
1 519 . 6 1 1 A 44 44 ALA H H 44 7.860 8.046 -0.186 1
1 520 . 6 1 1 A 44 44 ALA HA H 44 4.203 4.094 0.109 1
1 524 . 6 1 1 A 44 44 ALA C C 44 181.044 180.474 0.570 1
1 525 . 6 1 1 A 44 44 ALA CA C 44 54.896 55.221 -0.325 1
1 526 . 6 1 1 A 44 44 ALA CB C 44 17.985 18.077 -0.092 1
1 527 . 6 1 1 A 44 44 ALA N N 44 125.406 123.791 1.615 1
1 528 . 6 1 1 A 45 45 VAL H H 45 8.391 7.794 0.597 1
1 529 . 6 1 1 A 45 45 VAL HA H 45 3.565 3.475 0.090 1
1 537 . 6 1 1 A 45 45 VAL C C 45 177.079 177.606 -0.527 1
1 538 . 6 1 1 A 45 45 VAL CA C 45 66.523 66.827 -0.304 1
1 539 . 6 1 1 A 45 45 VAL CB C 45 31.323 31.463 -0.140 1
1 542 . 6 1 1 A 45 45 VAL N N 45 120.467 118.356 2.111 1
1 543 . 6 1 1 A 46 46 LYS H H 46 8.270 7.999 0.271 1
1 544 . 6 1 1 A 46 46 LYS HA H 46 3.699 3.825 -0.126 1
1 550 . 6 1 1 A 46 46 LYS C C 46 179.171 178.595 0.576 1
1 551 . 6 1 1 A 46 46 LYS CA C 46 60.606 58.900 1.706 1
1 552 . 6 1 1 A 46 46 LYS CB C 46 32.057 32.614 -0.557 1
1 556 . 6 1 1 A 46 46 LYS N N 46 120.461 120.166 0.295 1
1 557 . 6 1 1 A 47 47 ALA H H 47 7.854 7.731 0.123 1
1 558 . 6 1 1 A 47 47 ALA HA H 47 4.192 4.066 0.126 1
1 562 . 6 1 1 A 47 47 ALA C C 47 179.565 179.821 -0.256 1
1 563 . 6 1 1 A 47 47 ALA CA C 47 54.782 54.852 -0.070 1
1 564 . 6 1 1 A 47 47 ALA CB C 47 18.004 18.235 -0.231 1
1 565 . 6 1 1 A 47 47 ALA N N 47 120.799 120.714 0.085 1
1 566 . 6 1 1 A 48 48 ALA H H 48 7.931 7.461 0.470 1
1 567 . 6 1 1 A 48 48 ALA HA H 48 4.232 4.116 0.116 1
1 571 . 6 1 1 A 48 48 ALA C C 48 180.197 179.884 0.313 1
1 572 . 6 1 1 A 48 48 ALA CA C 48 55.028 54.969 0.059 1
1 573 . 6 1 1 A 48 48 ALA CB C 48 17.968 18.534 -0.566 1
1 574 . 6 1 1 A 48 48 ALA N N 48 120.585 120.271 0.314 1
1 575 . 6 1 1 A 49 49 ILE H H 49 8.270 7.855 0.415 1
1 576 . 6 1 1 A 49 49 ILE HA H 49 3.190 3.508 -0.318 1
1 586 . 6 1 1 A 49 49 ILE C C 49 177.762 177.956 -0.194 1
1 587 . 6 1 1 A 49 49 ILE CA C 49 66.396 65.435 0.961 1
1 588 . 6 1 1 A 49 49 ILE CB C 49 38.698 37.642 1.056 1
1 592 . 6 1 1 A 49 49 ILE N N 49 118.535 119.747 -1.212 1
1 593 . 6 1 1 A 50 50 ALA H H 50 7.198 8.372 -1.174 1
1 594 . 6 1 1 A 50 50 ALA HA H 50 4.154 4.008 0.146 1
1 598 . 6 1 1 A 50 50 ALA C C 50 179.323 179.924 -0.601 1
1 599 . 6 1 1 A 50 50 ALA CA C 50 54.684 54.738 -0.054 1
1 600 . 6 1 1 A 50 50 ALA CB C 50 18.877 18.186 0.691 1
1 601 . 6 1 1 A 50 50 ALA N N 50 118.853 121.539 -2.686 1
1 602 . 6 1 1 A 51 51 LYS H H 51 8.047 7.506 0.541 1
1 603 . 6 1 1 A 51 51 LYS HA H 51 4.372 4.174 0.198 1
1 609 . 6 1 1 A 51 51 LYS C C 51 177.694 177.660 0.034 1
1 610 . 6 1 1 A 51 51 LYS CA C 51 57.678 59.013 -1.335 1
1 611 . 6 1 1 A 51 51 LYS CB C 51 34.279 33.037 1.242 1
1 615 . 6 1 1 A 51 51 LYS N N 51 114.606 117.641 -3.035 1
1 616 . 6 1 1 A 52 52 GLN H H 52 8.707 8.517 0.190 1
1 617 . 6 1 1 A 52 52 GLN HA H 52 4.592 4.449 0.143 1
1 624 . 6 1 1 A 52 52 GLN C C 52 176.792 175.902 0.890 1
1 625 . 6 1 1 A 52 52 GLN CA C 52 56.454 56.897 -0.443 1
1 626 . 6 1 1 A 52 52 GLN CB C 52 31.792 30.983 0.809 1
1 629 . 6 1 1 A 52 52 GLN N N 52 115.942 115.425 0.517 1
1 631 . 6 1 1 A 53 53 GLY H H 53 8.045 7.325 0.720 1
1 632 . 6 1 1 A 53 53 GLY HA2 H 53 4.568 4.064 0.504 1
1 633 . 6 1 1 A 53 53 GLY HA3 H 53 4.066 4.065 0.001 1
1 634 . 6 1 1 A 53 53 GLY C C 53 173.741 174.636 -0.895 1
1 635 . 6 1 1 A 53 53 GLY CA C 53 44.553 45.865 -1.312 1
1 636 . 6 1 1 A 53 53 GLY N N 53 110.313 103.254 7.059 1
1 637 . 6 1 1 A 54 54 ILE H H 54 8.281 8.681 -0.400 1
1 638 . 6 1 1 A 54 54 ILE HA H 54 3.583 3.730 -0.147 1
1 648 . 6 1 1 A 54 54 ILE C C 54 177.313 177.910 -0.597 1
1 649 . 6 1 1 A 54 54 ILE CA C 54 65.253 64.228 1.025 1
1 650 . 6 1 1 A 54 54 ILE CB C 54 38.489 37.670 0.819 1
1 654 . 6 1 1 A 54 54 ILE N N 54 117.579 119.505 -1.926 1
1 655 . 6 1 1 A 55 55 LYS H H 55 8.334 8.288 0.046 1
1 656 . 6 1 1 A 55 55 LYS HA H 55 3.955 4.044 -0.089 1
1 663 . 6 1 1 A 55 55 LYS C C 55 180.026 178.644 1.382 1
1 664 . 6 1 1 A 55 55 LYS CA C 55 60.343 59.176 1.167 1
1 665 . 6 1 1 A 55 55 LYS CB C 55 31.693 32.316 -0.623 1
1 669 . 6 1 1 A 55 55 LYS N N 55 119.039 123.013 -3.974 1
1 670 . 6 1 1 A 56 56 LYS H H 56 7.987 7.839 0.148 1
1 671 . 6 1 1 A 56 56 LYS HA H 56 4.130 4.011 0.119 1
1 677 . 6 1 1 A 56 56 LYS C C 56 178.612 179.500 -0.888 1
1 678 . 6 1 1 A 56 56 LYS CA C 56 57.715 59.358 -1.643 1
1 679 . 6 1 1 A 56 56 LYS CB C 56 31.714 32.335 -0.621 1
1 683 . 6 1 1 A 56 56 LYS N N 56 119.113 119.980 -0.867 1
1 684 . 6 1 1 A 57 57 ALA H H 57 7.735 7.822 -0.087 1
1 685 . 6 1 1 A 57 57 ALA HA H 57 3.911 4.019 -0.108 1
1 689 . 6 1 1 A 57 57 ALA C C 57 178.713 180.360 -1.647 1
1 690 . 6 1 1 A 57 57 ALA CA C 57 55.568 54.926 0.642 1
1 691 . 6 1 1 A 57 57 ALA CB C 57 19.922 18.399 1.523 1
1 692 . 6 1 1 A 57 57 ALA N N 57 122.357 121.910 0.447 1
1 693 . 6 1 1 A 58 58 ILE H H 58 8.257 7.580 0.677 1
1 694 . 6 1 1 A 58 58 ILE HA H 58 3.452 3.619 -0.167 1
1 704 . 6 1 1 A 58 58 ILE C C 58 177.688 177.943 -0.255 1
1 705 . 6 1 1 A 58 58 ILE CA C 58 66.157 65.270 0.887 1
1 706 . 6 1 1 A 58 58 ILE CB C 58 38.306 37.887 0.419 1
1 710 . 6 1 1 A 58 58 ILE N N 58 117.279 119.319 -2.040 1
1 711 . 6 1 1 A 59 59 GLN H H 59 7.752 8.411 -0.659 1
1 712 . 6 1 1 A 59 59 GLN HA H 59 3.916 4.135 -0.219 1
1 719 . 6 1 1 A 59 59 GLN C C 59 178.976 178.756 0.220 1
1 720 . 6 1 1 A 59 59 GLN CA C 59 59.112 58.739 0.373 1
1 721 . 6 1 1 A 59 59 GLN CB C 59 28.189 28.316 -0.127 1
1 724 . 6 1 1 A 59 59 GLN N N 59 117.533 119.014 -1.481 1
1 18 . 7 1 1 A 2 2 VAL H H 2 8.475 8.053 0.422 1
1 19 . 7 1 1 A 2 2 VAL HA H 2 4.528 3.917 0.611 1
1 27 . 7 1 1 A 2 2 VAL C C 2 181.462 178.092 3.370 1
1 28 . 7 1 1 A 2 2 VAL CA C 2 65.162 66.601 -1.439 1
1 29 . 7 1 1 A 2 2 VAL CB C 2 31.895 31.616 0.279 1
1 32 . 7 1 1 A 2 2 VAL N N 2 121.849 117.257 4.592 1
1 33 . 7 1 1 A 3 3 ALA H H 3 8.256 8.487 -0.231 1
1 34 . 7 1 1 A 3 3 ALA HA H 3 4.173 4.111 0.062 1
1 38 . 7 1 1 A 3 3 ALA C C 3 179.402 179.597 -0.195 1
1 39 . 7 1 1 A 3 3 ALA CA C 3 54.725 54.920 -0.195 1
1 40 . 7 1 1 A 3 3 ALA CB C 3 17.784 18.106 -0.322 1
1 41 . 7 1 1 A 3 3 ALA N N 3 124.615 121.567 3.048 1
1 42 . 7 1 1 A 4 4 TYR H H 4 7.717 8.133 -0.416 1
1 43 . 7 1 1 A 4 4 TYR HA H 4 4.465 4.299 0.166 1
1 48 . 7 1 1 A 4 4 TYR C C 4 177.710 176.128 1.582 1
1 49 . 7 1 1 A 4 4 TYR CA C 4 58.648 60.660 -2.012 1
1 50 . 7 1 1 A 4 4 TYR CB C 4 38.838 38.929 -0.091 1
1 53 . 7 1 1 A 4 4 TYR N N 4 117.777 116.678 1.099 1
1 54 . 7 1 1 A 5 5 GLY H H 5 7.942 8.032 -0.090 1
1 55 . 7 1 1 A 5 5 GLY HA2 H 5 4.373 4.108 0.265 1
1 56 . 7 1 1 A 5 5 GLY HA3 H 5 3.699 4.125 -0.426 1
1 57 . 7 1 1 A 5 5 GLY C C 5 174.273 174.852 -0.579 1
1 58 . 7 1 1 A 5 5 GLY CA C 5 45.019 45.504 -0.485 1
1 59 . 7 1 1 A 5 5 GLY N N 5 105.556 106.316 -0.760 1
1 60 . 7 1 1 A 6 6 ILE H H 6 7.844 7.739 0.105 1
1 61 . 7 1 1 A 6 6 ILE HA H 6 4.135 4.094 0.041 1
1 71 . 7 1 1 A 6 6 ILE C C 6 174.476 176.417 -1.941 1
1 72 . 7 1 1 A 6 6 ILE CA C 6 59.997 61.304 -1.307 1
1 73 . 7 1 1 A 6 6 ILE CB C 6 37.498 38.148 -0.650 1
1 77 . 7 1 1 A 6 6 ILE N N 6 123.172 122.205 0.967 1
1 78 . 7 1 1 A 7 7 ALA H H 7 8.361 8.759 -0.398 1
1 79 . 7 1 1 A 7 7 ALA HA H 7 4.205 4.222 -0.017 1
1 83 . 7 1 1 A 7 7 ALA C C 7 178.710 179.042 -0.332 1
1 84 . 7 1 1 A 7 7 ALA CA C 7 52.736 52.920 -0.184 1
1 85 . 7 1 1 A 7 7 ALA CB C 7 19.343 19.419 -0.076 1
1 86 . 7 1 1 A 7 7 ALA N N 7 128.201 130.179 -1.978 1
1 87 . 7 1 1 A 8 8 GLN H H 8 8.929 8.686 0.243 1
1 88 . 7 1 1 A 8 8 GLN HA H 8 3.670 4.091 -0.421 1
1 95 . 7 1 1 A 8 8 GLN C C 8 177.362 178.188 -0.826 1
1 96 . 7 1 1 A 8 8 GLN CA C 8 60.337 57.841 2.496 1
1 97 . 7 1 1 A 8 8 GLN CB C 8 28.290 28.161 0.129 1
1 100 . 7 1 1 A 8 8 GLN N N 8 121.784 122.476 -0.692 1
1 102 . 7 1 1 A 9 9 GLY H H 9 9.034 8.230 0.804 1
1 103 . 7 1 1 A 9 9 GLY HA2 H 9 3.891 3.603 0.288 1
1 104 . 7 1 1 A 9 9 GLY C C 9 177.273 176.285 0.988 1
1 105 . 7 1 1 A 9 9 GLY CA C 9 47.126 47.433 -0.307 1
1 106 . 7 1 1 A 9 9 GLY N N 9 105.262 108.337 -3.075 1
1 107 . 7 1 1 A 10 10 THR H H 10 7.254 8.154 -0.900 1
1 108 . 7 1 1 A 10 10 THR HA H 10 4.010 4.067 -0.057 1
1 113 . 7 1 1 A 10 10 THR C C 10 175.476 175.768 -0.292 1
1 114 . 7 1 1 A 10 10 THR CA C 10 65.939 65.210 0.729 1
1 115 . 7 1 1 A 10 10 THR CB C 10 68.252 68.765 -0.513 1
1 117 . 7 1 1 A 10 10 THR N N 10 118.993 116.715 2.278 1
1 118 . 7 1 1 A 11 11 ALA H H 11 9.152 8.723 0.429 1
1 119 . 7 1 1 A 11 11 ALA HA H 11 3.759 4.006 -0.247 1
1 123 . 7 1 1 A 11 11 ALA C C 11 178.878 180.118 -1.240 1
1 124 . 7 1 1 A 11 11 ALA CA C 11 55.756 55.657 0.099 1
1 125 . 7 1 1 A 11 11 ALA CB C 11 19.820 18.375 1.445 1
1 126 . 7 1 1 A 11 11 ALA N N 11 126.026 123.234 2.792 1
1 127 . 7 1 1 A 12 12 GLU H H 12 8.442 7.906 0.536 1
1 128 . 7 1 1 A 12 12 GLU HA H 12 3.748 4.000 -0.252 1
1 133 . 7 1 1 A 12 12 GLU C C 12 179.309 179.560 -0.251 1
1 134 . 7 1 1 A 12 12 GLU CA C 12 59.899 59.610 0.289 1
1 135 . 7 1 1 A 12 12 GLU CB C 12 29.713 29.092 0.621 1
1 137 . 7 1 1 A 12 12 GLU N N 12 115.831 117.969 -2.138 1
1 138 . 7 1 1 A 13 13 LYS H H 13 7.253 7.886 -0.633 1
1 139 . 7 1 1 A 13 13 LYS HA H 13 4.147 4.049 0.098 1
1 145 . 7 1 1 A 13 13 LYS C C 13 178.842 179.439 -0.597 1
1 146 . 7 1 1 A 13 13 LYS CA C 13 59.198 59.424 -0.226 1
1 147 . 7 1 1 A 13 13 LYS CB C 13 32.678 32.741 -0.063 1
1 150 . 7 1 1 A 13 13 LYS N N 13 119.708 118.924 0.784 1
1 151 . 7 1 1 A 14 14 VAL H H 14 8.649 8.200 0.449 1
1 152 . 7 1 1 A 14 14 VAL HA H 14 3.368 3.743 -0.375 1
1 160 . 7 1 1 A 14 14 VAL C C 14 177.806 178.208 -0.402 1
1 161 . 7 1 1 A 14 14 VAL CA C 14 67.448 65.832 1.616 1
1 162 . 7 1 1 A 14 14 VAL CB C 14 31.423 31.948 -0.525 1
1 165 . 7 1 1 A 14 14 VAL N N 14 119.012 120.105 -1.093 1
1 166 . 7 1 1 A 15 15 VAL H H 15 8.172 8.372 -0.200 1
1 167 . 7 1 1 A 15 15 VAL HA H 15 3.418 3.527 -0.109 1
1 175 . 7 1 1 A 15 15 VAL C C 15 177.325 178.416 -1.091 1
1 176 . 7 1 1 A 15 15 VAL CA C 15 67.632 66.885 0.747 1
1 177 . 7 1 1 A 15 15 VAL CB C 15 31.168 31.611 -0.443 1
1 180 . 7 1 1 A 15 15 VAL N N 15 117.226 121.032 -3.806 1
1 181 . 7 1 1 A 16 16 SER H H 16 7.804 8.225 -0.421 1
1 182 . 7 1 1 A 16 16 SER HA H 16 4.232 4.123 0.109 1
1 185 . 7 1 1 A 16 16 SER C C 16 177.563 177.006 0.557 1
1 186 . 7 1 1 A 16 16 SER CA C 16 61.988 61.255 0.733 1
1 187 . 7 1 1 A 16 16 SER CB C 16 62.781 63.058 -0.277 1
1 188 . 7 1 1 A 16 16 SER N N 16 115.358 115.555 -0.197 1
1 189 . 7 1 1 A 17 17 LEU H H 17 8.089 8.108 -0.019 1
1 190 . 7 1 1 A 17 17 LEU HA H 17 4.234 4.143 0.091 1
1 200 . 7 1 1 A 17 17 LEU C C 17 179.382 179.128 0.254 1
1 201 . 7 1 1 A 17 17 LEU CA C 17 57.908 57.828 0.080 1
1 202 . 7 1 1 A 17 17 LEU CB C 17 41.459 41.474 -0.015 1
1 206 . 7 1 1 A 17 17 LEU N N 17 121.995 122.508 -0.513 1
1 207 . 7 1 1 A 18 18 ILE H H 18 8.690 7.937 0.753 1
1 208 . 7 1 1 A 18 18 ILE HA H 18 3.799 3.538 0.261 1
1 218 . 7 1 1 A 18 18 ILE C C 18 181.545 177.881 3.664 1
1 219 . 7 1 1 A 18 18 ILE CA C 18 65.849 65.666 0.183 1
1 220 . 7 1 1 A 18 18 ILE CB C 18 37.844 38.072 -0.228 1
1 224 . 7 1 1 A 18 18 ILE N N 18 121.273 120.629 0.644 1
1 225 . 7 1 1 A 19 19 ASN H H 19 8.663 8.393 0.270 1
1 226 . 7 1 1 A 19 19 ASN HA H 19 4.548 4.460 0.088 1
1 231 . 7 1 1 A 19 19 ASN C C 19 176.165 177.323 -1.158 1
1 232 . 7 1 1 A 19 19 ASN CA C 19 55.365 56.402 -1.037 1
1 233 . 7 1 1 A 19 19 ASN CB C 19 38.196 39.574 -1.378 1
1 235 . 7 1 1 A 19 19 ASN N N 19 120.662 118.854 1.808 1
1 237 . 7 1 1 A 20 20 ALA H H 20 7.564 7.123 0.441 1
1 238 . 7 1 1 A 20 20 ALA HA H 20 4.411 4.261 0.150 1
1 242 . 7 1 1 A 20 20 ALA C C 20 175.860 177.890 -2.030 1
1 243 . 7 1 1 A 20 20 ALA CA C 20 52.478 52.374 0.104 1
1 244 . 7 1 1 A 20 20 ALA CB C 20 18.668 19.613 -0.945 1
1 245 . 7 1 1 A 20 20 ALA N N 20 120.105 118.734 1.371 1
1 246 . 7 1 1 A 21 21 GLY H H 21 7.959 8.254 -0.295 1
1 247 . 7 1 1 A 21 21 GLY HA2 H 21 4.310 3.961 0.349 1
1 248 . 7 1 1 A 21 21 GLY HA3 H 21 3.804 3.967 -0.163 1
1 249 . 7 1 1 A 21 21 GLY C C 21 175.014 174.703 0.311 1
1 250 . 7 1 1 A 21 21 GLY CA C 21 45.286 45.612 -0.326 1
1 251 . 7 1 1 A 21 21 GLY N N 21 105.589 106.795 -1.206 1
1 252 . 7 1 1 A 22 22 LEU H H 22 7.529 7.671 -0.142 1
1 253 . 7 1 1 A 22 22 LEU HA H 22 4.462 4.308 0.154 1
1 263 . 7 1 1 A 22 22 LEU C C 22 177.271 176.830 0.441 1
1 264 . 7 1 1 A 22 22 LEU CA C 22 56.388 54.646 1.742 1
1 265 . 7 1 1 A 22 22 LEU CB C 22 42.442 42.139 0.303 1
1 269 . 7 1 1 A 22 22 LEU N N 22 121.608 122.256 -0.648 1
1 270 . 7 1 1 A 23 23 THR H H 23 7.976 8.481 -0.505 1
1 271 . 7 1 1 A 23 23 THR HA H 23 4.335 4.792 -0.457 1
1 276 . 7 1 1 A 23 23 THR C C 23 175.978 176.137 -0.159 1
1 277 . 7 1 1 A 23 23 THR CA C 23 60.185 60.764 -0.579 1
1 278 . 7 1 1 A 23 23 THR CB C 23 71.142 71.130 0.012 1
1 280 . 7 1 1 A 23 23 THR N N 23 108.756 115.437 -6.681 1
1 281 . 7 1 1 A 24 24 VAL H H 24 8.201 8.977 -0.776 1
1 282 . 7 1 1 A 24 24 VAL HA H 24 3.337 3.684 -0.347 1
1 290 . 7 1 1 A 24 24 VAL C C 24 176.772 177.907 -1.135 1
1 291 . 7 1 1 A 24 24 VAL CA C 24 66.172 65.000 1.172 1
1 292 . 7 1 1 A 24 24 VAL CB C 24 30.752 31.431 -0.679 1
1 295 . 7 1 1 A 24 24 VAL N N 24 119.897 120.141 -0.244 1
1 296 . 7 1 1 A 25 25 GLY H H 25 8.328 8.246 0.082 1
1 297 . 7 1 1 A 25 25 GLY HA2 H 25 3.830 3.752 0.078 1
1 298 . 7 1 1 A 25 25 GLY HA3 H 25 3.722 3.768 -0.046 1
1 299 . 7 1 1 A 25 25 GLY C C 25 177.352 176.366 0.986 1
1 300 . 7 1 1 A 25 25 GLY CA C 25 46.824 47.472 -0.648 1
1 301 . 7 1 1 A 25 25 GLY N N 25 106.836 110.480 -3.644 1
1 302 . 7 1 1 A 26 26 SER H H 26 7.626 7.858 -0.232 1
1 303 . 7 1 1 A 26 26 SER HA H 26 4.286 4.153 0.133 1
1 306 . 7 1 1 A 26 26 SER C C 26 176.160 176.062 0.098 1
1 307 . 7 1 1 A 26 26 SER CA C 26 61.829 62.525 -0.696 1
1 308 . 7 1 1 A 26 26 SER CB C 26 63.022 62.885 0.137 1
1 309 . 7 1 1 A 26 26 SER N N 26 118.367 119.067 -0.700 1
1 310 . 7 1 1 A 27 27 ILE H H 27 8.072 7.324 0.748 1
1 311 . 7 1 1 A 27 27 ILE HA H 27 3.494 3.511 -0.017 1
1 321 . 7 1 1 A 27 27 ILE C C 27 177.364 178.123 -0.759 1
1 322 . 7 1 1 A 27 27 ILE CA C 27 66.333 65.144 1.189 1
1 323 . 7 1 1 A 27 27 ILE CB C 27 38.065 37.767 0.298 1
1 327 . 7 1 1 A 27 27 ILE N N 27 122.663 120.745 1.918 1
1 328 . 7 1 1 A 28 28 ILE H H 28 8.317 7.801 0.516 1
1 329 . 7 1 1 A 28 28 ILE HA H 28 3.790 3.487 0.303 1
1 339 . 7 1 1 A 28 28 ILE C C 28 179.278 177.843 1.435 1
1 340 . 7 1 1 A 28 28 ILE CA C 28 65.107 65.051 0.056 1
1 341 . 7 1 1 A 28 28 ILE CB C 28 38.185 37.594 0.591 1
1 345 . 7 1 1 A 28 28 ILE N N 28 119.722 119.771 -0.049 1
1 346 . 7 1 1 A 29 29 SER H H 29 7.703 7.764 -0.061 1
1 347 . 7 1 1 A 29 29 SER HA H 29 4.185 4.139 0.046 1
1 349 . 7 1 1 A 29 29 SER C C 29 176.198 176.833 -0.635 1
1 350 . 7 1 1 A 29 29 SER CA C 29 61.588 61.197 0.391 1
1 351 . 7 1 1 A 29 29 SER CB C 29 63.021 63.080 -0.059 1
1 352 . 7 1 1 A 29 29 SER N N 29 114.967 115.767 -0.800 1
1 353 . 7 1 1 A 30 30 ILE H H 30 7.798 7.459 0.339 1
1 354 . 7 1 1 A 30 30 ILE HA H 30 3.884 3.762 0.122 1
1 364 . 7 1 1 A 30 30 ILE C C 30 177.721 178.347 -0.626 1
1 365 . 7 1 1 A 30 30 ILE CA C 30 64.231 64.286 -0.055 1
1 366 . 7 1 1 A 30 30 ILE CB C 30 39.382 37.912 1.470 1
1 370 . 7 1 1 A 30 30 ILE N N 30 120.517 121.388 -0.871 1
1 371 . 7 1 1 A 31 31 LEU H H 31 8.279 7.424 0.855 1
1 372 . 7 1 1 A 31 31 LEU HA H 31 4.362 4.014 0.348 1
1 382 . 7 1 1 A 31 31 LEU C C 31 178.475 177.407 1.068 1
1 383 . 7 1 1 A 31 31 LEU CA C 31 55.587 57.139 -1.552 1
1 384 . 7 1 1 A 31 31 LEU CB C 31 39.699 42.118 -2.419 1
1 388 . 7 1 1 A 31 31 LEU N N 31 117.941 120.340 -2.399 1
1 389 . 7 1 1 A 32 32 GLY H H 32 8.219 8.498 -0.279 1
1 390 . 7 1 1 A 32 32 GLY HA2 H 32 4.123 3.879 0.244 1
1 391 . 7 1 1 A 32 32 GLY HA3 H 32 3.878 3.882 -0.004 1
1 392 . 7 1 1 A 32 32 GLY C C 32 175.512 174.167 1.345 1
1 393 . 7 1 1 A 32 32 GLY CA C 32 45.604 46.893 -1.289 1
1 394 . 7 1 1 A 32 32 GLY N N 32 107.591 107.530 0.061 1
1 395 . 7 1 1 A 33 33 GLY H H 33 8.667 7.726 0.941 1
1 396 . 7 1 1 A 33 33 GLY HA2 H 33 4.062 4.105 -0.043 1
1 397 . 7 1 1 A 33 33 GLY HA3 H 33 3.879 4.106 -0.227 1
1 398 . 7 1 1 A 33 33 GLY C C 33 175.510 172.218 3.292 1
1 399 . 7 1 1 A 33 33 GLY CA C 33 46.603 45.726 0.877 1
1 400 . 7 1 1 A 33 33 GLY N N 33 109.700 105.769 3.931 1
1 401 . 7 1 1 A 34 34 VAL H H 34 8.049 8.558 -0.509 1
1 402 . 7 1 1 A 34 34 VAL HA H 34 4.309 4.131 0.178 1
1 410 . 7 1 1 A 34 34 VAL C C 34 176.726 176.517 0.209 1
1 411 . 7 1 1 A 34 34 VAL CA C 34 62.780 61.577 1.203 1
1 412 . 7 1 1 A 34 34 VAL CB C 34 32.022 28.944 3.078 1
1 415 . 7 1 1 A 34 34 VAL N N 34 117.737 120.318 -2.581 1
1 416 . 7 1 1 A 35 35 THR H H 35 8.141 7.887 0.254 1
1 417 . 7 1 1 A 35 35 THR HA H 35 4.239 4.358 -0.119 1
1 422 . 7 1 1 A 35 35 THR C C 35 174.905 174.858 0.047 1
1 423 . 7 1 1 A 35 35 THR CA C 35 62.571 62.262 0.309 1
1 424 . 7 1 1 A 35 35 THR CB C 35 69.247 69.407 -0.160 1
1 426 . 7 1 1 A 35 35 THR N N 35 111.884 114.752 -2.868 1
1 427 . 7 1 1 A 36 36 VAL H H 36 7.560 7.499 0.061 1
1 428 . 7 1 1 A 36 36 VAL HA H 36 3.940 3.824 0.116 1
1 436 . 7 1 1 A 36 36 VAL C C 36 177.003 176.522 0.481 1
1 437 . 7 1 1 A 36 36 VAL CA C 36 64.440 63.661 0.779 1
1 438 . 7 1 1 A 36 36 VAL CB C 36 31.926 31.379 0.547 1
1 441 . 7 1 1 A 36 36 VAL N N 36 120.063 122.846 -2.783 1
1 442 . 7 1 1 A 37 37 GLY H H 37 8.427 8.569 -0.142 1
1 443 . 7 1 1 A 37 37 GLY HA2 H 37 4.143 3.862 0.281 1
1 444 . 7 1 1 A 37 37 GLY HA3 H 37 4.077 3.864 0.213 1
1 445 . 7 1 1 A 37 37 GLY C C 37 176.084 174.954 1.130 1
1 446 . 7 1 1 A 37 37 GLY CA C 37 45.593 45.527 0.066 1
1 447 . 7 1 1 A 37 37 GLY N N 37 110.570 115.301 -4.731 1
1 448 . 7 1 1 A 38 38 LEU H H 38 8.157 8.008 0.149 1
1 449 . 7 1 1 A 38 38 LEU HA H 38 4.094 4.087 0.007 1
1 458 . 7 1 1 A 38 38 LEU C C 38 177.948 178.520 -0.572 1
1 459 . 7 1 1 A 38 38 LEU CA C 38 56.472 57.336 -0.864 1
1 460 . 7 1 1 A 38 38 LEU CB C 38 42.644 41.736 0.908 1
1 464 . 7 1 1 A 38 38 LEU N N 38 121.095 123.394 -2.299 1
1 465 . 7 1 1 A 39 39 SER H H 39 8.417 8.219 0.198 1
1 466 . 7 1 1 A 39 39 SER HA H 39 3.921 4.193 -0.272 1
1 469 . 7 1 1 A 39 39 SER C C 39 176.742 176.877 -0.135 1
1 470 . 7 1 1 A 39 39 SER CA C 39 62.250 61.064 1.186 1
1 471 . 7 1 1 A 39 39 SER CB C 39 62.228 62.660 -0.432 1
1 472 . 7 1 1 A 39 39 SER N N 39 113.122 114.760 -1.638 1
1 473 . 7 1 1 A 40 40 GLY H H 40 8.169 8.407 -0.238 1
1 474 . 7 1 1 A 40 40 GLY HA2 H 40 4.108 3.809 0.299 1
1 475 . 7 1 1 A 40 40 GLY HA3 H 40 3.990 3.825 0.165 1
1 476 . 7 1 1 A 40 40 GLY C C 40 175.225 175.789 -0.564 1
1 477 . 7 1 1 A 40 40 GLY CA C 40 46.354 47.383 -1.029 1
1 478 . 7 1 1 A 40 40 GLY N N 40 107.856 110.468 -2.612 1
1 479 . 7 1 1 A 41 41 VAL H H 41 7.321 7.624 -0.303 1
1 480 . 7 1 1 A 41 41 VAL HA H 41 4.482 3.879 0.603 1
1 488 . 7 1 1 A 41 41 VAL C C 41 176.112 177.638 -1.526 1
1 489 . 7 1 1 A 41 41 VAL CA C 41 61.490 64.707 -3.217 1
1 490 . 7 1 1 A 41 41 VAL CB C 41 33.211 31.300 1.911 1
1 493 . 7 1 1 A 41 41 VAL N N 41 114.922 119.948 -5.026 1
1 494 . 7 1 1 A 42 42 PHE H H 42 7.832 8.127 -0.295 1
1 495 . 7 1 1 A 42 42 PHE HA H 42 3.890 4.023 -0.133 1
1 501 . 7 1 1 A 42 42 PHE C C 42 176.656 177.231 -0.575 1
1 502 . 7 1 1 A 42 42 PHE CA C 42 62.384 61.636 0.748 1
1 503 . 7 1 1 A 42 42 PHE CB C 42 39.677 39.067 0.610 1
1 507 . 7 1 1 A 42 42 PHE N N 42 122.726 124.308 -1.582 1
1 508 . 7 1 1 A 43 43 THR H H 43 8.606 8.055 0.551 1
1 509 . 7 1 1 A 43 43 THR HA H 43 3.771 3.964 -0.193 1
1 514 . 7 1 1 A 43 43 THR C C 43 176.755 177.210 -0.455 1
1 515 . 7 1 1 A 43 43 THR CA C 43 66.787 65.680 1.107 1
1 516 . 7 1 1 A 43 43 THR CB C 43 68.302 68.905 -0.603 1
1 518 . 7 1 1 A 43 43 THR N N 43 113.613 113.662 -0.049 1
1 519 . 7 1 1 A 44 44 ALA H H 44 7.860 7.742 0.118 1
1 520 . 7 1 1 A 44 44 ALA HA H 44 4.203 4.099 0.104 1
1 524 . 7 1 1 A 44 44 ALA C C 44 181.044 180.242 0.802 1
1 525 . 7 1 1 A 44 44 ALA CA C 44 54.896 54.969 -0.073 1
1 526 . 7 1 1 A 44 44 ALA CB C 44 17.985 18.303 -0.318 1
1 527 . 7 1 1 A 44 44 ALA N N 44 125.406 123.464 1.942 1
1 528 . 7 1 1 A 45 45 VAL H H 45 8.391 7.690 0.701 1
1 529 . 7 1 1 A 45 45 VAL HA H 45 3.565 3.387 0.178 1
1 537 . 7 1 1 A 45 45 VAL C C 45 177.079 177.687 -0.608 1
1 538 . 7 1 1 A 45 45 VAL CA C 45 66.523 66.466 0.057 1
1 539 . 7 1 1 A 45 45 VAL CB C 45 31.323 31.255 0.068 1
1 542 . 7 1 1 A 45 45 VAL N N 45 120.467 118.112 2.355 1
1 543 . 7 1 1 A 46 46 LYS H H 46 8.270 7.876 0.394 1
1 544 . 7 1 1 A 46 46 LYS HA H 46 3.699 3.812 -0.113 1
1 550 . 7 1 1 A 46 46 LYS C C 46 179.171 178.714 0.457 1
1 551 . 7 1 1 A 46 46 LYS CA C 46 60.606 59.314 1.292 1
1 552 . 7 1 1 A 46 46 LYS CB C 46 32.057 32.081 -0.024 1
1 556 . 7 1 1 A 46 46 LYS N N 46 120.461 120.124 0.337 1
1 557 . 7 1 1 A 47 47 ALA H H 47 7.854 7.592 0.262 1
1 558 . 7 1 1 A 47 47 ALA HA H 47 4.192 4.103 0.089 1
1 562 . 7 1 1 A 47 47 ALA C C 47 179.565 179.986 -0.421 1
1 563 . 7 1 1 A 47 47 ALA CA C 47 54.782 54.903 -0.121 1
1 564 . 7 1 1 A 47 47 ALA CB C 47 18.004 18.312 -0.308 1
1 565 . 7 1 1 A 47 47 ALA N N 47 120.799 121.114 -0.315 1
1 566 . 7 1 1 A 48 48 ALA H H 48 7.931 7.902 0.029 1
1 567 . 7 1 1 A 48 48 ALA HA H 48 4.232 4.115 0.117 1
1 571 . 7 1 1 A 48 48 ALA C C 48 180.197 179.700 0.497 1
1 572 . 7 1 1 A 48 48 ALA CA C 48 55.028 55.232 -0.204 1
1 573 . 7 1 1 A 48 48 ALA CB C 48 17.968 18.204 -0.236 1
1 574 . 7 1 1 A 48 48 ALA N N 48 120.585 120.413 0.172 1
1 575 . 7 1 1 A 49 49 ILE H H 49 8.270 7.504 0.766 1
1 576 . 7 1 1 A 49 49 ILE HA H 49 3.190 3.523 -0.333 1
1 586 . 7 1 1 A 49 49 ILE C C 49 177.762 177.972 -0.210 1
1 587 . 7 1 1 A 49 49 ILE CA C 49 66.396 65.508 0.888 1
1 588 . 7 1 1 A 49 49 ILE CB C 49 38.698 37.654 1.044 1
1 592 . 7 1 1 A 49 49 ILE N N 49 118.535 119.463 -0.928 1
1 593 . 7 1 1 A 50 50 ALA H H 50 7.198 7.820 -0.622 1
1 594 . 7 1 1 A 50 50 ALA HA H 50 4.154 4.060 0.094 1
1 598 . 7 1 1 A 50 50 ALA C C 50 179.323 179.853 -0.530 1
1 599 . 7 1 1 A 50 50 ALA CA C 50 54.684 54.762 -0.078 1
1 600 . 7 1 1 A 50 50 ALA CB C 50 18.877 18.112 0.765 1
1 601 . 7 1 1 A 50 50 ALA N N 50 118.853 121.647 -2.794 1
1 602 . 7 1 1 A 51 51 LYS H H 51 8.047 7.681 0.366 1
1 603 . 7 1 1 A 51 51 LYS HA H 51 4.372 4.051 0.321 1
1 609 . 7 1 1 A 51 51 LYS C C 51 177.694 177.577 0.117 1
1 610 . 7 1 1 A 51 51 LYS CA C 51 57.678 58.777 -1.099 1
1 611 . 7 1 1 A 51 51 LYS CB C 51 34.279 32.823 1.456 1
1 615 . 7 1 1 A 51 51 LYS N N 51 114.606 118.341 -3.735 1
1 616 . 7 1 1 A 52 52 GLN H H 52 8.707 8.314 0.393 1
1 617 . 7 1 1 A 52 52 GLN HA H 52 4.592 4.500 0.092 1
1 624 . 7 1 1 A 52 52 GLN C C 52 176.792 176.233 0.559 1
1 625 . 7 1 1 A 52 52 GLN CA C 52 56.454 56.632 -0.178 1
1 626 . 7 1 1 A 52 52 GLN CB C 52 31.792 31.531 0.261 1
1 629 . 7 1 1 A 52 52 GLN N N 52 115.942 115.859 0.083 1
1 631 . 7 1 1 A 53 53 GLY H H 53 8.045 7.355 0.690 1
1 632 . 7 1 1 A 53 53 GLY HA2 H 53 4.568 4.065 0.503 1
1 633 . 7 1 1 A 53 53 GLY HA3 H 53 4.066 4.065 0.001 1
1 634 . 7 1 1 A 53 53 GLY C C 53 173.741 174.557 -0.816 1
1 635 . 7 1 1 A 53 53 GLY CA C 53 44.553 45.894 -1.341 1
1 636 . 7 1 1 A 53 53 GLY N N 53 110.313 103.269 7.044 1
1 637 . 7 1 1 A 54 54 ILE H H 54 8.281 8.704 -0.423 1
1 638 . 7 1 1 A 54 54 ILE HA H 54 3.583 3.754 -0.171 1
1 648 . 7 1 1 A 54 54 ILE C C 54 177.313 177.913 -0.600 1
1 649 . 7 1 1 A 54 54 ILE CA C 54 65.253 64.345 0.908 1
1 650 . 7 1 1 A 54 54 ILE CB C 54 38.489 37.667 0.822 1
1 654 . 7 1 1 A 54 54 ILE N N 54 117.579 119.372 -1.793 1
1 655 . 7 1 1 A 55 55 LYS H H 55 8.334 8.286 0.048 1
1 656 . 7 1 1 A 55 55 LYS HA H 55 3.955 4.069 -0.114 1
1 663 . 7 1 1 A 55 55 LYS C C 55 180.026 178.722 1.304 1
1 664 . 7 1 1 A 55 55 LYS CA C 55 60.343 59.237 1.106 1
1 665 . 7 1 1 A 55 55 LYS CB C 55 31.693 32.217 -0.524 1
1 669 . 7 1 1 A 55 55 LYS N N 55 119.039 123.197 -4.158 1
1 670 . 7 1 1 A 56 56 LYS H H 56 7.987 7.956 0.031 1
1 671 . 7 1 1 A 56 56 LYS HA H 56 4.130 4.092 0.038 1
1 677 . 7 1 1 A 56 56 LYS C C 56 178.612 179.314 -0.702 1
1 678 . 7 1 1 A 56 56 LYS CA C 56 57.715 59.367 -1.652 1
1 679 . 7 1 1 A 56 56 LYS CB C 56 31.714 31.991 -0.277 1
1 683 . 7 1 1 A 56 56 LYS N N 56 119.113 119.684 -0.571 1
1 684 . 7 1 1 A 57 57 ALA H H 57 7.735 8.177 -0.442 1
1 685 . 7 1 1 A 57 57 ALA HA H 57 3.911 4.028 -0.117 1
1 689 . 7 1 1 A 57 57 ALA C C 57 178.713 179.990 -1.277 1
1 690 . 7 1 1 A 57 57 ALA CA C 57 55.568 55.070 0.498 1
1 691 . 7 1 1 A 57 57 ALA CB C 57 19.922 18.463 1.459 1
1 692 . 7 1 1 A 57 57 ALA N N 57 122.357 121.606 0.751 1
1 693 . 7 1 1 A 58 58 ILE H H 58 8.257 7.659 0.598 1
1 694 . 7 1 1 A 58 58 ILE HA H 58 3.452 3.615 -0.163 1
1 704 . 7 1 1 A 58 58 ILE C C 58 177.688 177.793 -0.105 1
1 705 . 7 1 1 A 58 58 ILE CA C 58 66.157 65.386 0.771 1
1 706 . 7 1 1 A 58 58 ILE CB C 58 38.306 37.871 0.435 1
1 710 . 7 1 1 A 58 58 ILE N N 58 117.279 119.184 -1.905 1
1 711 . 7 1 1 A 59 59 GLN H H 59 7.752 7.793 -0.041 1
1 712 . 7 1 1 A 59 59 GLN HA H 59 3.916 4.080 -0.164 1
1 719 . 7 1 1 A 59 59 GLN C C 59 178.976 177.592 1.384 1
1 720 . 7 1 1 A 59 59 GLN CA C 59 59.112 58.154 0.958 1
1 721 . 7 1 1 A 59 59 GLN CB C 59 28.189 27.909 0.280 1
1 724 . 7 1 1 A 59 59 GLN N N 59 117.533 120.254 -2.721 1
1 18 . 8 1 1 A 2 2 VAL H H 2 8.475 8.235 0.240 1
1 19 . 8 1 1 A 2 2 VAL HA H 2 4.528 3.922 0.606 1
1 27 . 8 1 1 A 2 2 VAL C C 2 181.462 178.080 3.382 1
1 28 . 8 1 1 A 2 2 VAL CA C 2 65.162 66.574 -1.412 1
1 29 . 8 1 1 A 2 2 VAL CB C 2 31.895 31.618 0.277 1
1 32 . 8 1 1 A 2 2 VAL N N 2 121.849 117.145 4.704 1
1 33 . 8 1 1 A 3 3 ALA H H 3 8.256 8.497 -0.241 1
1 34 . 8 1 1 A 3 3 ALA HA H 3 4.173 4.148 0.025 1
1 38 . 8 1 1 A 3 3 ALA C C 3 179.402 179.636 -0.234 1
1 39 . 8 1 1 A 3 3 ALA CA C 3 54.725 54.955 -0.230 1
1 40 . 8 1 1 A 3 3 ALA CB C 3 17.784 18.077 -0.293 1
1 41 . 8 1 1 A 3 3 ALA N N 3 124.615 121.637 2.978 1
1 42 . 8 1 1 A 4 4 TYR H H 4 7.717 8.160 -0.443 1
1 43 . 8 1 1 A 4 4 TYR HA H 4 4.465 4.216 0.249 1
1 48 . 8 1 1 A 4 4 TYR C C 4 177.710 176.234 1.476 1
1 49 . 8 1 1 A 4 4 TYR CA C 4 58.648 61.522 -2.874 1
1 50 . 8 1 1 A 4 4 TYR CB C 4 38.838 39.644 -0.806 1
1 53 . 8 1 1 A 4 4 TYR N N 4 117.777 120.292 -2.515 1
1 54 . 8 1 1 A 5 5 GLY H H 5 7.942 7.889 0.053 1
1 55 . 8 1 1 A 5 5 GLY HA2 H 5 4.373 4.113 0.260 1
1 56 . 8 1 1 A 5 5 GLY HA3 H 5 3.699 4.139 -0.440 1
1 57 . 8 1 1 A 5 5 GLY C C 5 174.273 174.862 -0.589 1
1 58 . 8 1 1 A 5 5 GLY CA C 5 45.019 45.582 -0.563 1
1 59 . 8 1 1 A 5 5 GLY N N 5 105.556 106.555 -0.999 1
1 60 . 8 1 1 A 6 6 ILE H H 6 7.844 7.720 0.124 1
1 61 . 8 1 1 A 6 6 ILE HA H 6 4.135 4.087 0.048 1
1 71 . 8 1 1 A 6 6 ILE C C 6 174.476 176.472 -1.996 1
1 72 . 8 1 1 A 6 6 ILE CA C 6 59.997 61.461 -1.464 1
1 73 . 8 1 1 A 6 6 ILE CB C 6 37.498 38.113 -0.615 1
1 77 . 8 1 1 A 6 6 ILE N N 6 123.172 122.337 0.835 1
1 78 . 8 1 1 A 7 7 ALA H H 7 8.361 8.647 -0.286 1
1 79 . 8 1 1 A 7 7 ALA HA H 7 4.205 4.258 -0.053 1
1 83 . 8 1 1 A 7 7 ALA C C 7 178.710 178.794 -0.084 1
1 84 . 8 1 1 A 7 7 ALA CA C 7 52.736 52.599 0.137 1
1 85 . 8 1 1 A 7 7 ALA CB C 7 19.343 19.429 -0.086 1
1 86 . 8 1 1 A 7 7 ALA N N 7 128.201 128.647 -0.446 1
1 87 . 8 1 1 A 8 8 GLN H H 8 8.929 8.770 0.159 1
1 88 . 8 1 1 A 8 8 GLN HA H 8 3.670 4.079 -0.409 1
1 95 . 8 1 1 A 8 8 GLN C C 8 177.362 178.462 -1.100 1
1 96 . 8 1 1 A 8 8 GLN CA C 8 60.337 58.170 2.167 1
1 97 . 8 1 1 A 8 8 GLN CB C 8 28.290 28.150 0.140 1
1 100 . 8 1 1 A 8 8 GLN N N 8 121.784 121.694 0.090 1
1 102 . 8 1 1 A 9 9 GLY H H 9 9.034 8.194 0.840 1
1 103 . 8 1 1 A 9 9 GLY HA2 H 9 3.891 3.595 0.296 1
1 104 . 8 1 1 A 9 9 GLY C C 9 177.273 176.360 0.913 1
1 105 . 8 1 1 A 9 9 GLY CA C 9 47.126 47.393 -0.267 1
1 106 . 8 1 1 A 9 9 GLY N N 9 105.262 108.789 -3.527 1
1 107 . 8 1 1 A 10 10 THR H H 10 7.254 8.129 -0.875 1
1 108 . 8 1 1 A 10 10 THR HA H 10 4.010 4.090 -0.080 1
1 113 . 8 1 1 A 10 10 THR C C 10 175.476 176.273 -0.797 1
1 114 . 8 1 1 A 10 10 THR CA C 10 65.939 65.453 0.486 1
1 115 . 8 1 1 A 10 10 THR CB C 10 68.252 68.663 -0.411 1
1 117 . 8 1 1 A 10 10 THR N N 10 118.993 116.947 2.046 1
1 118 . 8 1 1 A 11 11 ALA H H 11 9.152 8.147 1.005 1
1 119 . 8 1 1 A 11 11 ALA HA H 11 3.759 3.957 -0.198 1
1 123 . 8 1 1 A 11 11 ALA C C 11 178.878 180.043 -1.165 1
1 124 . 8 1 1 A 11 11 ALA CA C 11 55.756 55.450 0.306 1
1 125 . 8 1 1 A 11 11 ALA CB C 11 19.820 18.475 1.345 1
1 126 . 8 1 1 A 11 11 ALA N N 11 126.026 122.943 3.083 1
1 127 . 8 1 1 A 12 12 GLU H H 12 8.442 8.004 0.438 1
1 128 . 8 1 1 A 12 12 GLU HA H 12 3.748 4.087 -0.339 1
1 133 . 8 1 1 A 12 12 GLU C C 12 179.309 178.309 1.000 1
1 134 . 8 1 1 A 12 12 GLU CA C 12 59.899 58.575 1.324 1
1 135 . 8 1 1 A 12 12 GLU CB C 12 29.713 29.444 0.269 1
1 137 . 8 1 1 A 12 12 GLU N N 12 115.831 118.765 -2.934 1
1 138 . 8 1 1 A 13 13 LYS H H 13 7.253 7.733 -0.480 1
1 139 . 8 1 1 A 13 13 LYS HA H 13 4.147 4.137 0.010 1
1 145 . 8 1 1 A 13 13 LYS C C 13 178.842 178.577 0.265 1
1 146 . 8 1 1 A 13 13 LYS CA C 13 59.198 59.198 0.000 1
1 147 . 8 1 1 A 13 13 LYS CB C 13 32.678 31.945 0.733 1
1 150 . 8 1 1 A 13 13 LYS N N 13 119.708 120.001 -0.293 1
1 151 . 8 1 1 A 14 14 VAL H H 14 8.649 8.190 0.459 1
1 152 . 8 1 1 A 14 14 VAL HA H 14 3.368 3.870 -0.502 1
1 160 . 8 1 1 A 14 14 VAL C C 14 177.806 178.289 -0.483 1
1 161 . 8 1 1 A 14 14 VAL CA C 14 67.448 65.770 1.678 1
1 162 . 8 1 1 A 14 14 VAL CB C 14 31.423 31.736 -0.313 1
1 165 . 8 1 1 A 14 14 VAL N N 14 119.012 118.358 0.654 1
1 166 . 8 1 1 A 15 15 VAL H H 15 8.172 8.052 0.120 1
1 167 . 8 1 1 A 15 15 VAL HA H 15 3.418 3.544 -0.126 1
1 175 . 8 1 1 A 15 15 VAL C C 15 177.325 178.401 -1.076 1
1 176 . 8 1 1 A 15 15 VAL CA C 15 67.632 66.772 0.860 1
1 177 . 8 1 1 A 15 15 VAL CB C 15 31.168 31.503 -0.335 1
1 180 . 8 1 1 A 15 15 VAL N N 15 117.226 121.606 -4.380 1
1 181 . 8 1 1 A 16 16 SER H H 16 7.804 7.903 -0.099 1
1 182 . 8 1 1 A 16 16 SER HA H 16 4.232 4.129 0.103 1
1 185 . 8 1 1 A 16 16 SER C C 16 177.563 176.978 0.585 1
1 186 . 8 1 1 A 16 16 SER CA C 16 61.988 61.165 0.823 1
1 187 . 8 1 1 A 16 16 SER CB C 16 62.781 63.097 -0.316 1
1 188 . 8 1 1 A 16 16 SER N N 16 115.358 115.555 -0.197 1
1 189 . 8 1 1 A 17 17 LEU H H 17 8.089 7.910 0.179 1
1 190 . 8 1 1 A 17 17 LEU HA H 17 4.234 4.128 0.106 1
1 200 . 8 1 1 A 17 17 LEU C C 17 179.382 179.475 -0.093 1
1 201 . 8 1 1 A 17 17 LEU CA C 17 57.908 57.707 0.201 1
1 202 . 8 1 1 A 17 17 LEU CB C 17 41.459 41.492 -0.033 1
1 206 . 8 1 1 A 17 17 LEU N N 17 121.995 122.637 -0.642 1
1 207 . 8 1 1 A 18 18 ILE H H 18 8.690 8.195 0.495 1
1 208 . 8 1 1 A 18 18 ILE HA H 18 3.799 3.710 0.089 1
1 218 . 8 1 1 A 18 18 ILE C C 18 181.545 178.425 3.120 1
1 219 . 8 1 1 A 18 18 ILE CA C 18 65.849 65.070 0.779 1
1 220 . 8 1 1 A 18 18 ILE CB C 18 37.844 37.211 0.633 1
1 224 . 8 1 1 A 18 18 ILE N N 18 121.273 119.928 1.345 1
1 225 . 8 1 1 A 19 19 ASN H H 19 8.663 7.896 0.767 1
1 226 . 8 1 1 A 19 19 ASN HA H 19 4.548 4.529 0.019 1
1 231 . 8 1 1 A 19 19 ASN C C 19 176.165 177.090 -0.925 1
1 232 . 8 1 1 A 19 19 ASN CA C 19 55.365 56.116 -0.751 1
1 233 . 8 1 1 A 19 19 ASN CB C 19 38.196 39.135 -0.939 1
1 235 . 8 1 1 A 19 19 ASN N N 19 120.662 120.530 0.132 1
1 237 . 8 1 1 A 20 20 ALA H H 20 7.564 7.340 0.224 1
1 238 . 8 1 1 A 20 20 ALA HA H 20 4.411 4.266 0.145 1
1 242 . 8 1 1 A 20 20 ALA C C 20 175.860 178.105 -2.245 1
1 243 . 8 1 1 A 20 20 ALA CA C 20 52.478 52.447 0.031 1
1 244 . 8 1 1 A 20 20 ALA CB C 20 18.668 19.599 -0.931 1
1 245 . 8 1 1 A 20 20 ALA N N 20 120.105 118.857 1.248 1
1 246 . 8 1 1 A 21 21 GLY H H 21 7.959 8.279 -0.320 1
1 247 . 8 1 1 A 21 21 GLY HA2 H 21 4.310 3.949 0.361 1
1 248 . 8 1 1 A 21 21 GLY HA3 H 21 3.804 3.956 -0.152 1
1 249 . 8 1 1 A 21 21 GLY C C 21 175.014 174.741 0.273 1
1 250 . 8 1 1 A 21 21 GLY CA C 21 45.286 45.067 0.219 1
1 251 . 8 1 1 A 21 21 GLY N N 21 105.589 107.163 -1.574 1
1 252 . 8 1 1 A 22 22 LEU H H 22 7.529 7.834 -0.305 1
1 253 . 8 1 1 A 22 22 LEU HA H 22 4.462 4.403 0.059 1
1 263 . 8 1 1 A 22 22 LEU C C 22 177.271 176.833 0.438 1
1 264 . 8 1 1 A 22 22 LEU CA C 22 56.388 54.284 2.104 1
1 265 . 8 1 1 A 22 22 LEU CB C 22 42.442 43.108 -0.666 1
1 269 . 8 1 1 A 22 22 LEU N N 22 121.608 120.312 1.296 1
1 270 . 8 1 1 A 23 23 THR H H 23 7.976 8.560 -0.584 1
1 271 . 8 1 1 A 23 23 THR HA H 23 4.335 4.690 -0.355 1
1 276 . 8 1 1 A 23 23 THR C C 23 175.978 176.198 -0.220 1
1 277 . 8 1 1 A 23 23 THR CA C 23 60.185 60.746 -0.561 1
1 278 . 8 1 1 A 23 23 THR CB C 23 71.142 71.261 -0.119 1
1 280 . 8 1 1 A 23 23 THR N N 23 108.756 112.381 -3.625 1
1 281 . 8 1 1 A 24 24 VAL H H 24 8.201 8.902 -0.701 1
1 282 . 8 1 1 A 24 24 VAL HA H 24 3.337 3.632 -0.295 1
1 290 . 8 1 1 A 24 24 VAL C C 24 176.772 177.943 -1.171 1
1 291 . 8 1 1 A 24 24 VAL CA C 24 66.172 65.110 1.062 1
1 292 . 8 1 1 A 24 24 VAL CB C 24 30.752 31.322 -0.570 1
1 295 . 8 1 1 A 24 24 VAL N N 24 119.897 119.764 0.133 1
1 296 . 8 1 1 A 25 25 GLY H H 25 8.328 8.314 0.014 1
1 297 . 8 1 1 A 25 25 GLY HA2 H 25 3.830 3.763 0.067 1
1 298 . 8 1 1 A 25 25 GLY HA3 H 25 3.722 3.778 -0.056 1
1 299 . 8 1 1 A 25 25 GLY C C 25 177.352 176.297 1.055 1
1 300 . 8 1 1 A 25 25 GLY CA C 25 46.824 47.410 -0.586 1
1 301 . 8 1 1 A 25 25 GLY N N 25 106.836 110.758 -3.922 1
1 302 . 8 1 1 A 26 26 SER H H 26 7.626 7.965 -0.339 1
1 303 . 8 1 1 A 26 26 SER HA H 26 4.286 4.162 0.124 1
1 306 . 8 1 1 A 26 26 SER C C 26 176.160 176.909 -0.749 1
1 307 . 8 1 1 A 26 26 SER CA C 26 61.829 62.163 -0.334 1
1 308 . 8 1 1 A 26 26 SER CB C 26 63.022 63.008 0.014 1
1 309 . 8 1 1 A 26 26 SER N N 26 118.367 118.633 -0.266 1
1 310 . 8 1 1 A 27 27 ILE H H 27 8.072 7.427 0.645 1
1 311 . 8 1 1 A 27 27 ILE HA H 27 3.494 3.462 0.032 1
1 321 . 8 1 1 A 27 27 ILE C C 27 177.364 178.153 -0.789 1
1 322 . 8 1 1 A 27 27 ILE CA C 27 66.333 64.489 1.844 1
1 323 . 8 1 1 A 27 27 ILE CB C 27 38.065 37.281 0.784 1
1 327 . 8 1 1 A 27 27 ILE N N 27 122.663 121.152 1.511 1
1 328 . 8 1 1 A 28 28 ILE H H 28 8.317 7.861 0.456 1
1 329 . 8 1 1 A 28 28 ILE HA H 28 3.790 3.551 0.239 1
1 339 . 8 1 1 A 28 28 ILE C C 28 179.278 178.590 0.688 1
1 340 . 8 1 1 A 28 28 ILE CA C 28 65.107 65.093 0.014 1
1 341 . 8 1 1 A 28 28 ILE CB C 28 38.185 37.422 0.763 1
1 345 . 8 1 1 A 28 28 ILE N N 28 119.722 120.816 -1.094 1
1 346 . 8 1 1 A 29 29 SER H H 29 7.703 7.514 0.189 1
1 347 . 8 1 1 A 29 29 SER HA H 29 4.185 4.132 0.053 1
1 349 . 8 1 1 A 29 29 SER C C 29 176.198 176.597 -0.399 1
1 350 . 8 1 1 A 29 29 SER CA C 29 61.588 62.420 -0.832 1
1 351 . 8 1 1 A 29 29 SER CB C 29 63.021 62.786 0.235 1
1 352 . 8 1 1 A 29 29 SER N N 29 114.967 116.153 -1.186 1
1 353 . 8 1 1 A 30 30 ILE H H 30 7.798 7.524 0.274 1
1 354 . 8 1 1 A 30 30 ILE HA H 30 3.884 3.707 0.177 1
1 364 . 8 1 1 A 30 30 ILE C C 30 177.721 178.018 -0.297 1
1 365 . 8 1 1 A 30 30 ILE CA C 30 64.231 64.978 -0.747 1
1 366 . 8 1 1 A 30 30 ILE CB C 30 39.382 37.793 1.589 1
1 370 . 8 1 1 A 30 30 ILE N N 30 120.517 121.477 -0.960 1
1 371 . 8 1 1 A 31 31 LEU H H 31 8.279 7.361 0.918 1
1 372 . 8 1 1 A 31 31 LEU HA H 31 4.362 4.038 0.324 1
1 382 . 8 1 1 A 31 31 LEU C C 31 178.475 176.781 1.694 1
1 383 . 8 1 1 A 31 31 LEU CA C 31 55.587 56.241 -0.654 1
1 384 . 8 1 1 A 31 31 LEU CB C 31 39.699 42.655 -2.956 1
1 388 . 8 1 1 A 31 31 LEU N N 31 117.941 119.101 -1.160 1
1 389 . 8 1 1 A 32 32 GLY H H 32 8.219 8.475 -0.256 1
1 390 . 8 1 1 A 32 32 GLY HA2 H 32 4.123 4.009 0.114 1
1 391 . 8 1 1 A 32 32 GLY HA3 H 32 3.878 4.012 -0.134 1
1 392 . 8 1 1 A 32 32 GLY C C 32 175.512 175.434 0.078 1
1 393 . 8 1 1 A 32 32 GLY CA C 32 45.604 45.064 0.540 1
1 394 . 8 1 1 A 32 32 GLY N N 32 107.591 106.019 1.572 1
1 395 . 8 1 1 A 33 33 GLY H H 33 8.667 8.662 0.005 1
1 396 . 8 1 1 A 33 33 GLY HA2 H 33 4.062 4.017 0.045 1
1 397 . 8 1 1 A 33 33 GLY HA3 H 33 3.879 4.026 -0.147 1
1 398 . 8 1 1 A 33 33 GLY C C 33 175.510 175.888 -0.378 1
1 399 . 8 1 1 A 33 33 GLY CA C 33 46.603 45.292 1.311 1
1 400 . 8 1 1 A 33 33 GLY N N 33 109.700 108.085 1.615 1
1 401 . 8 1 1 A 34 34 VAL H H 34 8.049 8.148 -0.099 1
1 402 . 8 1 1 A 34 34 VAL HA H 34 4.309 3.758 0.551 1
1 410 . 8 1 1 A 34 34 VAL C C 34 176.726 176.871 -0.145 1
1 411 . 8 1 1 A 34 34 VAL CA C 34 62.780 65.498 -2.718 1
1 412 . 8 1 1 A 34 34 VAL CB C 34 32.022 31.224 0.798 1
1 415 . 8 1 1 A 34 34 VAL N N 34 117.737 120.743 -3.006 1
1 416 . 8 1 1 A 35 35 THR H H 35 8.141 7.634 0.507 1
1 417 . 8 1 1 A 35 35 THR HA H 35 4.239 4.287 -0.048 1
1 422 . 8 1 1 A 35 35 THR C C 35 174.905 175.259 -0.354 1
1 423 . 8 1 1 A 35 35 THR CA C 35 62.571 63.325 -0.754 1
1 424 . 8 1 1 A 35 35 THR CB C 35 69.247 68.597 0.650 1
1 426 . 8 1 1 A 35 35 THR N N 35 111.884 114.531 -2.647 1
1 427 . 8 1 1 A 36 36 VAL H H 36 7.560 7.434 0.126 1
1 428 . 8 1 1 A 36 36 VAL HA H 36 3.940 3.879 0.061 1
1 436 . 8 1 1 A 36 36 VAL C C 36 177.003 177.713 -0.710 1
1 437 . 8 1 1 A 36 36 VAL CA C 36 64.440 65.664 -1.224 1
1 438 . 8 1 1 A 36 36 VAL CB C 36 31.926 31.143 0.783 1
1 441 . 8 1 1 A 36 36 VAL N N 36 120.063 120.284 -0.221 1
1 442 . 8 1 1 A 37 37 GLY H H 37 8.427 8.237 0.190 1
1 443 . 8 1 1 A 37 37 GLY HA2 H 37 4.143 3.698 0.445 1
1 444 . 8 1 1 A 37 37 GLY HA3 H 37 4.077 3.698 0.379 1
1 445 . 8 1 1 A 37 37 GLY C C 37 176.084 175.414 0.670 1
1 446 . 8 1 1 A 37 37 GLY CA C 37 45.593 46.979 -1.386 1
1 447 . 8 1 1 A 37 37 GLY N N 37 110.570 108.715 1.855 1
1 448 . 8 1 1 A 38 38 LEU H H 38 8.157 8.100 0.057 1
1 449 . 8 1 1 A 38 38 LEU HA H 38 4.094 3.952 0.142 1
1 458 . 8 1 1 A 38 38 LEU C C 38 177.948 179.449 -1.501 1
1 459 . 8 1 1 A 38 38 LEU CA C 38 56.472 57.258 -0.786 1
1 460 . 8 1 1 A 38 38 LEU CB C 38 42.644 41.137 1.507 1
1 464 . 8 1 1 A 38 38 LEU N N 38 121.095 122.914 -1.819 1
1 465 . 8 1 1 A 39 39 SER H H 39 8.417 8.473 -0.056 1
1 466 . 8 1 1 A 39 39 SER HA H 39 3.921 4.244 -0.323 1
1 469 . 8 1 1 A 39 39 SER C C 39 176.742 176.900 -0.158 1
1 470 . 8 1 1 A 39 39 SER CA C 39 62.250 61.256 0.994 1
1 471 . 8 1 1 A 39 39 SER CB C 39 62.228 62.601 -0.373 1
1 472 . 8 1 1 A 39 39 SER N N 39 113.122 113.551 -0.429 1
1 473 . 8 1 1 A 40 40 GLY H H 40 8.169 8.074 0.095 1
1 474 . 8 1 1 A 40 40 GLY HA2 H 40 4.108 3.926 0.182 1
1 475 . 8 1 1 A 40 40 GLY HA3 H 40 3.990 3.937 0.053 1
1 476 . 8 1 1 A 40 40 GLY C C 40 175.225 175.387 -0.162 1
1 477 . 8 1 1 A 40 40 GLY CA C 40 46.354 47.098 -0.744 1
1 478 . 8 1 1 A 40 40 GLY N N 40 107.856 110.095 -2.239 1
1 479 . 8 1 1 A 41 41 VAL H H 41 7.321 7.760 -0.439 1
1 480 . 8 1 1 A 41 41 VAL HA H 41 4.482 4.242 0.240 1
1 488 . 8 1 1 A 41 41 VAL C C 41 176.112 177.826 -1.714 1
1 489 . 8 1 1 A 41 41 VAL CA C 41 61.490 62.613 -1.123 1
1 490 . 8 1 1 A 41 41 VAL CB C 41 33.211 32.640 0.571 1
1 493 . 8 1 1 A 41 41 VAL N N 41 114.922 117.859 -2.937 1
1 494 . 8 1 1 A 42 42 PHE H H 42 7.832 7.876 -0.044 1
1 495 . 8 1 1 A 42 42 PHE HA H 42 3.890 3.974 -0.084 1
1 501 . 8 1 1 A 42 42 PHE C C 42 176.656 177.188 -0.532 1
1 502 . 8 1 1 A 42 42 PHE CA C 42 62.384 61.944 0.440 1
1 503 . 8 1 1 A 42 42 PHE CB C 42 39.677 39.201 0.476 1
1 507 . 8 1 1 A 42 42 PHE N N 42 122.726 124.430 -1.704 1
1 508 . 8 1 1 A 43 43 THR H H 43 8.606 7.840 0.766 1
1 509 . 8 1 1 A 43 43 THR HA H 43 3.771 3.963 -0.192 1
1 514 . 8 1 1 A 43 43 THR C C 43 176.755 176.942 -0.187 1
1 515 . 8 1 1 A 43 43 THR CA C 43 66.787 66.828 -0.041 1
1 516 . 8 1 1 A 43 43 THR CB C 43 68.302 68.778 -0.476 1
1 518 . 8 1 1 A 43 43 THR N N 43 113.613 115.713 -2.100 1
1 519 . 8 1 1 A 44 44 ALA H H 44 7.860 7.966 -0.106 1
1 520 . 8 1 1 A 44 44 ALA HA H 44 4.203 4.106 0.097 1
1 524 . 8 1 1 A 44 44 ALA C C 44 181.044 180.191 0.853 1
1 525 . 8 1 1 A 44 44 ALA CA C 44 54.896 54.904 -0.008 1
1 526 . 8 1 1 A 44 44 ALA CB C 44 17.985 18.363 -0.378 1
1 527 . 8 1 1 A 44 44 ALA N N 44 125.406 124.599 0.807 1
1 528 . 8 1 1 A 45 45 VAL H H 45 8.391 7.843 0.548 1
1 529 . 8 1 1 A 45 45 VAL HA H 45 3.565 3.352 0.213 1
1 537 . 8 1 1 A 45 45 VAL C C 45 177.079 177.591 -0.512 1
1 538 . 8 1 1 A 45 45 VAL CA C 45 66.523 66.958 -0.435 1
1 539 . 8 1 1 A 45 45 VAL CB C 45 31.323 31.246 0.077 1
1 542 . 8 1 1 A 45 45 VAL N N 45 120.467 118.504 1.963 1
1 543 . 8 1 1 A 46 46 LYS H H 46 8.270 7.805 0.465 1
1 544 . 8 1 1 A 46 46 LYS HA H 46 3.699 3.847 -0.148 1
1 550 . 8 1 1 A 46 46 LYS C C 46 179.171 178.775 0.396 1
1 551 . 8 1 1 A 46 46 LYS CA C 46 60.606 59.269 1.337 1
1 552 . 8 1 1 A 46 46 LYS CB C 46 32.057 32.346 -0.289 1
1 556 . 8 1 1 A 46 46 LYS N N 46 120.461 120.153 0.308 1
1 557 . 8 1 1 A 47 47 ALA H H 47 7.854 8.051 -0.197 1
1 558 . 8 1 1 A 47 47 ALA HA H 47 4.192 4.052 0.140 1
1 562 . 8 1 1 A 47 47 ALA C C 47 179.565 179.943 -0.378 1
1 563 . 8 1 1 A 47 47 ALA CA C 47 54.782 54.855 -0.073 1
1 564 . 8 1 1 A 47 47 ALA CB C 47 18.004 18.418 -0.414 1
1 565 . 8 1 1 A 47 47 ALA N N 47 120.799 120.942 -0.143 1
1 566 . 8 1 1 A 48 48 ALA H H 48 7.931 7.828 0.103 1
1 567 . 8 1 1 A 48 48 ALA HA H 48 4.232 4.082 0.150 1
1 571 . 8 1 1 A 48 48 ALA C C 48 180.197 179.945 0.252 1
1 572 . 8 1 1 A 48 48 ALA CA C 48 55.028 55.185 -0.157 1
1 573 . 8 1 1 A 48 48 ALA CB C 48 17.968 18.027 -0.059 1
1 574 . 8 1 1 A 48 48 ALA N N 48 120.585 120.410 0.175 1
1 575 . 8 1 1 A 49 49 ILE H H 49 8.270 7.554 0.716 1
1 576 . 8 1 1 A 49 49 ILE HA H 49 3.190 3.533 -0.343 1
1 586 . 8 1 1 A 49 49 ILE C C 49 177.762 177.921 -0.159 1
1 587 . 8 1 1 A 49 49 ILE CA C 49 66.396 65.490 0.906 1
1 588 . 8 1 1 A 49 49 ILE CB C 49 38.698 37.659 1.039 1
1 592 . 8 1 1 A 49 49 ILE N N 49 118.535 119.106 -0.571 1
1 593 . 8 1 1 A 50 50 ALA H H 50 7.198 8.357 -1.159 1
1 594 . 8 1 1 A 50 50 ALA HA H 50 4.154 4.031 0.123 1
1 598 . 8 1 1 A 50 50 ALA C C 50 179.323 179.676 -0.353 1
1 599 . 8 1 1 A 50 50 ALA CA C 50 54.684 54.742 -0.058 1
1 600 . 8 1 1 A 50 50 ALA CB C 50 18.877 18.042 0.835 1
1 601 . 8 1 1 A 50 50 ALA N N 50 118.853 121.629 -2.776 1
1 602 . 8 1 1 A 51 51 LYS H H 51 8.047 7.771 0.276 1
1 603 . 8 1 1 A 51 51 LYS HA H 51 4.372 4.045 0.327 1
1 609 . 8 1 1 A 51 51 LYS C C 51 177.694 177.775 -0.081 1
1 610 . 8 1 1 A 51 51 LYS CA C 51 57.678 59.008 -1.330 1
1 611 . 8 1 1 A 51 51 LYS CB C 51 34.279 32.828 1.451 1
1 615 . 8 1 1 A 51 51 LYS N N 51 114.606 118.298 -3.692 1
1 616 . 8 1 1 A 52 52 GLN H H 52 8.707 8.366 0.341 1
1 617 . 8 1 1 A 52 52 GLN HA H 52 4.592 4.477 0.115 1
1 624 . 8 1 1 A 52 52 GLN C C 52 176.792 175.985 0.807 1
1 625 . 8 1 1 A 52 52 GLN CA C 52 56.454 56.606 -0.152 1
1 626 . 8 1 1 A 52 52 GLN CB C 52 31.792 31.459 0.333 1
1 629 . 8 1 1 A 52 52 GLN N N 52 115.942 115.855 0.087 1
1 631 . 8 1 1 A 53 53 GLY H H 53 8.045 7.331 0.714 1
1 632 . 8 1 1 A 53 53 GLY HA2 H 53 4.568 4.063 0.505 1
1 633 . 8 1 1 A 53 53 GLY HA3 H 53 4.066 4.064 0.002 1
1 634 . 8 1 1 A 53 53 GLY C C 53 173.741 174.571 -0.830 1
1 635 . 8 1 1 A 53 53 GLY CA C 53 44.553 45.857 -1.304 1
1 636 . 8 1 1 A 53 53 GLY N N 53 110.313 103.257 7.056 1
1 637 . 8 1 1 A 54 54 ILE H H 54 8.281 8.685 -0.404 1
1 638 . 8 1 1 A 54 54 ILE HA H 54 3.583 3.760 -0.177 1
1 648 . 8 1 1 A 54 54 ILE C C 54 177.313 177.905 -0.592 1
1 649 . 8 1 1 A 54 54 ILE CA C 54 65.253 64.231 1.022 1
1 650 . 8 1 1 A 54 54 ILE CB C 54 38.489 37.673 0.816 1
1 654 . 8 1 1 A 54 54 ILE N N 54 117.579 119.520 -1.941 1
1 655 . 8 1 1 A 55 55 LYS H H 55 8.334 8.298 0.036 1
1 656 . 8 1 1 A 55 55 LYS HA H 55 3.955 4.046 -0.091 1
1 663 . 8 1 1 A 55 55 LYS C C 55 180.026 178.585 1.441 1
1 664 . 8 1 1 A 55 55 LYS CA C 55 60.343 59.127 1.216 1
1 665 . 8 1 1 A 55 55 LYS CB C 55 31.693 32.277 -0.584 1
1 669 . 8 1 1 A 55 55 LYS N N 55 119.039 122.763 -3.724 1
1 670 . 8 1 1 A 56 56 LYS H H 56 7.987 7.839 0.148 1
1 671 . 8 1 1 A 56 56 LYS HA H 56 4.130 4.018 0.112 1
1 677 . 8 1 1 A 56 56 LYS C C 56 178.612 179.609 -0.997 1
1 678 . 8 1 1 A 56 56 LYS CA C 56 57.715 59.375 -1.660 1
1 679 . 8 1 1 A 56 56 LYS CB C 56 31.714 32.295 -0.581 1
1 683 . 8 1 1 A 56 56 LYS N N 56 119.113 119.972 -0.859 1
1 684 . 8 1 1 A 57 57 ALA H H 57 7.735 7.801 -0.066 1
1 685 . 8 1 1 A 57 57 ALA HA H 57 3.911 4.020 -0.109 1
1 689 . 8 1 1 A 57 57 ALA C C 57 178.713 180.369 -1.656 1
1 690 . 8 1 1 A 57 57 ALA CA C 57 55.568 54.929 0.639 1
1 691 . 8 1 1 A 57 57 ALA CB C 57 19.922 18.396 1.526 1
1 692 . 8 1 1 A 57 57 ALA N N 57 122.357 121.934 0.423 1
1 693 . 8 1 1 A 58 58 ILE H H 58 8.257 7.617 0.640 1
1 694 . 8 1 1 A 58 58 ILE HA H 58 3.452 3.614 -0.162 1
1 704 . 8 1 1 A 58 58 ILE C C 58 177.688 177.928 -0.240 1
1 705 . 8 1 1 A 58 58 ILE CA C 58 66.157 65.324 0.833 1
1 706 . 8 1 1 A 58 58 ILE CB C 58 38.306 37.896 0.410 1
1 710 . 8 1 1 A 58 58 ILE N N 58 117.279 119.181 -1.902 1
1 711 . 8 1 1 A 59 59 GLN H H 59 7.752 8.428 -0.676 1
1 712 . 8 1 1 A 59 59 GLN HA H 59 3.916 4.095 -0.179 1
1 719 . 8 1 1 A 59 59 GLN C C 59 178.976 178.887 0.089 1
1 720 . 8 1 1 A 59 59 GLN CA C 59 59.112 58.966 0.146 1
1 721 . 8 1 1 A 59 59 GLN CB C 59 28.189 28.321 -0.132 1
1 724 . 8 1 1 A 59 59 GLN N N 59 117.533 118.846 -1.313 1
1 18 . 9 1 1 A 2 2 VAL H H 2 8.475 8.026 0.449 1
1 19 . 9 1 1 A 2 2 VAL HA H 2 4.528 3.927 0.601 1
1 27 . 9 1 1 A 2 2 VAL C C 2 181.462 178.116 3.346 1
1 28 . 9 1 1 A 2 2 VAL CA C 2 65.162 66.581 -1.419 1
1 29 . 9 1 1 A 2 2 VAL CB C 2 31.895 31.622 0.273 1
1 32 . 9 1 1 A 2 2 VAL N N 2 121.849 117.242 4.607 1
1 33 . 9 1 1 A 3 3 ALA H H 3 8.256 8.528 -0.272 1
1 34 . 9 1 1 A 3 3 ALA HA H 3 4.173 4.137 0.036 1
1 38 . 9 1 1 A 3 3 ALA C C 3 179.402 179.480 -0.078 1
1 39 . 9 1 1 A 3 3 ALA CA C 3 54.725 54.997 -0.272 1
1 40 . 9 1 1 A 3 3 ALA CB C 3 17.784 18.236 -0.452 1
1 41 . 9 1 1 A 3 3 ALA N N 3 124.615 121.645 2.970 1
1 42 . 9 1 1 A 4 4 TYR H H 4 7.717 8.086 -0.369 1
1 43 . 9 1 1 A 4 4 TYR HA H 4 4.465 4.254 0.211 1
1 48 . 9 1 1 A 4 4 TYR C C 4 177.710 175.923 1.787 1
1 49 . 9 1 1 A 4 4 TYR CA C 4 58.648 61.320 -2.672 1
1 50 . 9 1 1 A 4 4 TYR CB C 4 38.838 39.597 -0.759 1
1 53 . 9 1 1 A 4 4 TYR N N 4 117.777 120.906 -3.129 1
1 54 . 9 1 1 A 5 5 GLY H H 5 7.942 8.004 -0.062 1
1 55 . 9 1 1 A 5 5 GLY HA2 H 5 4.373 3.858 0.515 1
1 56 . 9 1 1 A 5 5 GLY HA3 H 5 3.699 3.987 -0.288 1
1 57 . 9 1 1 A 5 5 GLY C C 5 174.273 174.804 -0.531 1
1 58 . 9 1 1 A 5 5 GLY CA C 5 45.019 45.347 -0.328 1
1 59 . 9 1 1 A 5 5 GLY N N 5 105.556 106.791 -1.235 1
1 60 . 9 1 1 A 6 6 ILE H H 6 7.844 7.793 0.051 1
1 61 . 9 1 1 A 6 6 ILE HA H 6 4.135 4.110 0.025 1
1 71 . 9 1 1 A 6 6 ILE C C 6 174.476 176.392 -1.916 1
1 72 . 9 1 1 A 6 6 ILE CA C 6 59.997 61.440 -1.443 1
1 73 . 9 1 1 A 6 6 ILE CB C 6 37.498 38.066 -0.568 1
1 77 . 9 1 1 A 6 6 ILE N N 6 123.172 122.200 0.972 1
1 78 . 9 1 1 A 7 7 ALA H H 7 8.361 8.726 -0.365 1
1 79 . 9 1 1 A 7 7 ALA HA H 7 4.205 4.207 -0.002 1
1 83 . 9 1 1 A 7 7 ALA C C 7 178.710 178.301 0.409 1
1 84 . 9 1 1 A 7 7 ALA CA C 7 52.736 52.832 -0.096 1
1 85 . 9 1 1 A 7 7 ALA CB C 7 19.343 19.373 -0.030 1
1 86 . 9 1 1 A 7 7 ALA N N 7 128.201 129.526 -1.325 1
1 87 . 9 1 1 A 8 8 GLN H H 8 8.929 8.816 0.113 1
1 88 . 9 1 1 A 8 8 GLN HA H 8 3.670 3.968 -0.298 1
1 95 . 9 1 1 A 8 8 GLN C C 8 177.362 178.561 -1.199 1
1 96 . 9 1 1 A 8 8 GLN CA C 8 60.337 59.090 1.247 1
1 97 . 9 1 1 A 8 8 GLN CB C 8 28.290 28.152 0.138 1
1 100 . 9 1 1 A 8 8 GLN N N 8 121.784 123.459 -1.675 1
1 102 . 9 1 1 A 9 9 GLY H H 9 9.034 8.297 0.737 1
1 103 . 9 1 1 A 9 9 GLY HA2 H 9 3.891 3.738 0.153 1
1 104 . 9 1 1 A 9 9 GLY C C 9 177.273 176.364 0.909 1
1 105 . 9 1 1 A 9 9 GLY CA C 9 47.126 47.373 -0.247 1
1 106 . 9 1 1 A 9 9 GLY N N 9 105.262 107.698 -2.436 1
1 107 . 9 1 1 A 10 10 THR H H 10 7.254 8.163 -0.909 1
1 108 . 9 1 1 A 10 10 THR HA H 10 4.010 4.088 -0.078 1
1 113 . 9 1 1 A 10 10 THR C C 10 175.476 176.097 -0.621 1
1 114 . 9 1 1 A 10 10 THR CA C 10 65.939 65.081 0.858 1
1 115 . 9 1 1 A 10 10 THR CB C 10 68.252 69.004 -0.752 1
1 117 . 9 1 1 A 10 10 THR N N 10 118.993 116.483 2.510 1
1 118 . 9 1 1 A 11 11 ALA H H 11 9.152 8.604 0.548 1
1 119 . 9 1 1 A 11 11 ALA HA H 11 3.759 3.964 -0.205 1
1 123 . 9 1 1 A 11 11 ALA C C 11 178.878 179.154 -0.276 1
1 124 . 9 1 1 A 11 11 ALA CA C 11 55.756 55.422 0.334 1
1 125 . 9 1 1 A 11 11 ALA CB C 11 19.820 18.518 1.302 1
1 126 . 9 1 1 A 11 11 ALA N N 11 126.026 123.448 2.578 1
1 127 . 9 1 1 A 12 12 GLU H H 12 8.442 8.152 0.290 1
1 128 . 9 1 1 A 12 12 GLU HA H 12 3.748 4.025 -0.277 1
1 133 . 9 1 1 A 12 12 GLU C C 12 179.309 178.933 0.376 1
1 134 . 9 1 1 A 12 12 GLU CA C 12 59.899 59.803 0.096 1
1 135 . 9 1 1 A 12 12 GLU CB C 12 29.713 29.072 0.641 1
1 137 . 9 1 1 A 12 12 GLU N N 12 115.831 118.831 -3.000 1
1 138 . 9 1 1 A 13 13 LYS H H 13 7.253 7.875 -0.622 1
1 139 . 9 1 1 A 13 13 LYS HA H 13 4.147 4.041 0.106 1
1 145 . 9 1 1 A 13 13 LYS C C 13 178.842 179.440 -0.598 1
1 146 . 9 1 1 A 13 13 LYS CA C 13 59.198 59.385 -0.187 1
1 147 . 9 1 1 A 13 13 LYS CB C 13 32.678 32.565 0.113 1
1 150 . 9 1 1 A 13 13 LYS N N 13 119.708 118.651 1.057 1
1 151 . 9 1 1 A 14 14 VAL H H 14 8.649 8.012 0.637 1
1 152 . 9 1 1 A 14 14 VAL HA H 14 3.368 3.758 -0.390 1
1 160 . 9 1 1 A 14 14 VAL C C 14 177.806 178.275 -0.469 1
1 161 . 9 1 1 A 14 14 VAL CA C 14 67.448 66.220 1.228 1
1 162 . 9 1 1 A 14 14 VAL CB C 14 31.423 31.791 -0.368 1
1 165 . 9 1 1 A 14 14 VAL N N 14 119.012 120.102 -1.090 1
1 166 . 9 1 1 A 15 15 VAL H H 15 8.172 8.202 -0.030 1
1 167 . 9 1 1 A 15 15 VAL HA H 15 3.418 3.520 -0.102 1
1 175 . 9 1 1 A 15 15 VAL C C 15 177.325 178.320 -0.995 1
1 176 . 9 1 1 A 15 15 VAL CA C 15 67.632 66.776 0.856 1
1 177 . 9 1 1 A 15 15 VAL CB C 15 31.168 31.372 -0.204 1
1 180 . 9 1 1 A 15 15 VAL N N 15 117.226 120.786 -3.560 1
1 181 . 9 1 1 A 16 16 SER H H 16 7.804 8.089 -0.285 1
1 182 . 9 1 1 A 16 16 SER HA H 16 4.232 4.120 0.112 1
1 185 . 9 1 1 A 16 16 SER C C 16 177.563 177.171 0.392 1
1 186 . 9 1 1 A 16 16 SER CA C 16 61.988 61.403 0.585 1
1 187 . 9 1 1 A 16 16 SER CB C 16 62.781 63.003 -0.222 1
1 188 . 9 1 1 A 16 16 SER N N 16 115.358 115.824 -0.466 1
1 189 . 9 1 1 A 17 17 LEU H H 17 8.089 8.112 -0.023 1
1 190 . 9 1 1 A 17 17 LEU HA H 17 4.234 4.094 0.140 1
1 200 . 9 1 1 A 17 17 LEU C C 17 179.382 179.225 0.157 1
1 201 . 9 1 1 A 17 17 LEU CA C 17 57.908 57.716 0.192 1
1 202 . 9 1 1 A 17 17 LEU CB C 17 41.459 41.470 -0.011 1
1 206 . 9 1 1 A 17 17 LEU N N 17 121.995 122.759 -0.764 1
1 207 . 9 1 1 A 18 18 ILE H H 18 8.690 7.874 0.816 1
1 208 . 9 1 1 A 18 18 ILE HA H 18 3.799 3.600 0.199 1
1 218 . 9 1 1 A 18 18 ILE C C 18 181.545 178.059 3.486 1
1 219 . 9 1 1 A 18 18 ILE CA C 18 65.849 65.100 0.749 1
1 220 . 9 1 1 A 18 18 ILE CB C 18 37.844 37.384 0.460 1
1 224 . 9 1 1 A 18 18 ILE N N 18 121.273 120.436 0.837 1
1 225 . 9 1 1 A 19 19 ASN H H 19 8.663 8.361 0.302 1
1 226 . 9 1 1 A 19 19 ASN HA H 19 4.548 4.493 0.055 1
1 231 . 9 1 1 A 19 19 ASN C C 19 176.165 177.334 -1.169 1
1 232 . 9 1 1 A 19 19 ASN CA C 19 55.365 56.250 -0.885 1
1 233 . 9 1 1 A 19 19 ASN CB C 19 38.196 39.180 -0.984 1
1 235 . 9 1 1 A 19 19 ASN N N 19 120.662 119.627 1.035 1
1 237 . 9 1 1 A 20 20 ALA H H 20 7.564 7.505 0.059 1
1 238 . 9 1 1 A 20 20 ALA HA H 20 4.411 4.252 0.159 1
1 242 . 9 1 1 A 20 20 ALA C C 20 175.860 177.898 -2.038 1
1 243 . 9 1 1 A 20 20 ALA CA C 20 52.478 52.389 0.089 1
1 244 . 9 1 1 A 20 20 ALA CB C 20 18.668 19.647 -0.979 1
1 245 . 9 1 1 A 20 20 ALA N N 20 120.105 118.787 1.318 1
1 246 . 9 1 1 A 21 21 GLY H H 21 7.959 8.319 -0.360 1
1 247 . 9 1 1 A 21 21 GLY HA2 H 21 4.310 3.929 0.381 1
1 248 . 9 1 1 A 21 21 GLY HA3 H 21 3.804 3.934 -0.130 1
1 249 . 9 1 1 A 21 21 GLY C C 21 175.014 174.476 0.538 1
1 250 . 9 1 1 A 21 21 GLY CA C 21 45.286 45.730 -0.444 1
1 251 . 9 1 1 A 21 21 GLY N N 21 105.589 107.391 -1.802 1
1 252 . 9 1 1 A 22 22 LEU H H 22 7.529 8.021 -0.492 1
1 253 . 9 1 1 A 22 22 LEU HA H 22 4.462 4.529 -0.067 1
1 263 . 9 1 1 A 22 22 LEU C C 22 177.271 177.382 -0.111 1
1 264 . 9 1 1 A 22 22 LEU CA C 22 56.388 54.757 1.631 1
1 265 . 9 1 1 A 22 22 LEU CB C 22 42.442 42.695 -0.253 1
1 269 . 9 1 1 A 22 22 LEU N N 22 121.608 122.720 -1.112 1
1 270 . 9 1 1 A 23 23 THR H H 23 7.976 8.668 -0.692 1
1 271 . 9 1 1 A 23 23 THR HA H 23 4.335 4.826 -0.491 1
1 276 . 9 1 1 A 23 23 THR C C 23 175.978 175.611 0.367 1
1 277 . 9 1 1 A 23 23 THR CA C 23 60.185 60.670 -0.485 1
1 278 . 9 1 1 A 23 23 THR CB C 23 71.142 71.305 -0.163 1
1 280 . 9 1 1 A 23 23 THR N N 23 108.756 114.391 -5.635 1
1 281 . 9 1 1 A 24 24 VAL H H 24 8.201 8.684 -0.483 1
1 282 . 9 1 1 A 24 24 VAL HA H 24 3.337 3.679 -0.342 1
1 290 . 9 1 1 A 24 24 VAL C C 24 176.772 177.839 -1.067 1
1 291 . 9 1 1 A 24 24 VAL CA C 24 66.172 65.902 0.270 1
1 292 . 9 1 1 A 24 24 VAL CB C 24 30.752 31.599 -0.847 1
1 295 . 9 1 1 A 24 24 VAL N N 24 119.897 122.403 -2.506 1
1 296 . 9 1 1 A 25 25 GLY H H 25 8.328 8.323 0.005 1
1 297 . 9 1 1 A 25 25 GLY HA2 H 25 3.830 3.743 0.087 1
1 298 . 9 1 1 A 25 25 GLY HA3 H 25 3.722 3.757 -0.035 1
1 299 . 9 1 1 A 25 25 GLY C C 25 177.352 176.074 1.278 1
1 300 . 9 1 1 A 25 25 GLY CA C 25 46.824 47.506 -0.682 1
1 301 . 9 1 1 A 25 25 GLY N N 25 106.836 109.487 -2.651 1
1 302 . 9 1 1 A 26 26 SER H H 26 7.626 8.078 -0.452 1
1 303 . 9 1 1 A 26 26 SER HA H 26 4.286 4.102 0.184 1
1 306 . 9 1 1 A 26 26 SER C C 26 176.160 177.576 -1.416 1
1 307 . 9 1 1 A 26 26 SER CA C 26 61.829 61.278 0.551 1
1 308 . 9 1 1 A 26 26 SER CB C 26 63.022 62.493 0.529 1
1 309 . 9 1 1 A 26 26 SER N N 26 118.367 116.764 1.603 1
1 310 . 9 1 1 A 27 27 ILE H H 27 8.072 7.300 0.772 1
1 311 . 9 1 1 A 27 27 ILE HA H 27 3.494 3.497 -0.003 1
1 321 . 9 1 1 A 27 27 ILE C C 27 177.364 177.935 -0.571 1
1 322 . 9 1 1 A 27 27 ILE CA C 27 66.333 64.975 1.358 1
1 323 . 9 1 1 A 27 27 ILE CB C 27 38.065 37.535 0.530 1
1 327 . 9 1 1 A 27 27 ILE N N 27 122.663 122.318 0.345 1
1 328 . 9 1 1 A 28 28 ILE H H 28 8.317 8.021 0.296 1
1 329 . 9 1 1 A 28 28 ILE HA H 28 3.790 3.627 0.163 1
1 339 . 9 1 1 A 28 28 ILE C C 28 179.278 177.984 1.294 1
1 340 . 9 1 1 A 28 28 ILE CA C 28 65.107 65.139 -0.032 1
1 341 . 9 1 1 A 28 28 ILE CB C 28 38.185 37.361 0.824 1
1 345 . 9 1 1 A 28 28 ILE N N 28 119.722 120.307 -0.585 1
1 346 . 9 1 1 A 29 29 SER H H 29 7.703 7.960 -0.257 1
1 347 . 9 1 1 A 29 29 SER HA H 29 4.185 4.063 0.122 1
1 349 . 9 1 1 A 29 29 SER C C 29 176.198 177.252 -1.054 1
1 350 . 9 1 1 A 29 29 SER CA C 29 61.588 61.616 -0.028 1
1 351 . 9 1 1 A 29 29 SER CB C 29 63.021 63.073 -0.052 1
1 352 . 9 1 1 A 29 29 SER N N 29 114.967 116.320 -1.353 1
1 353 . 9 1 1 A 30 30 ILE H H 30 7.798 7.309 0.489 1
1 354 . 9 1 1 A 30 30 ILE HA H 30 3.884 3.767 0.117 1
1 364 . 9 1 1 A 30 30 ILE C C 30 177.721 178.007 -0.286 1
1 365 . 9 1 1 A 30 30 ILE CA C 30 64.231 63.957 0.274 1
1 366 . 9 1 1 A 30 30 ILE CB C 30 39.382 37.151 2.231 1
1 370 . 9 1 1 A 30 30 ILE N N 30 120.517 121.280 -0.763 1
1 371 . 9 1 1 A 31 31 LEU H H 31 8.279 8.013 0.266 1
1 372 . 9 1 1 A 31 31 LEU HA H 31 4.362 4.232 0.130 1
1 382 . 9 1 1 A 31 31 LEU C C 31 178.475 176.858 1.617 1
1 383 . 9 1 1 A 31 31 LEU CA C 31 55.587 55.983 -0.396 1
1 384 . 9 1 1 A 31 31 LEU CB C 31 39.699 42.785 -3.086 1
1 388 . 9 1 1 A 31 31 LEU N N 31 117.941 122.291 -4.350 1
1 389 . 9 1 1 A 32 32 GLY H H 32 8.219 7.775 0.444 1
1 390 . 9 1 1 A 32 32 GLY HA2 H 32 4.123 4.042 0.081 1
1 391 . 9 1 1 A 32 32 GLY HA3 H 32 3.878 4.043 -0.165 1
1 392 . 9 1 1 A 32 32 GLY C C 32 175.512 173.900 1.612 1
1 393 . 9 1 1 A 32 32 GLY CA C 32 45.604 45.209 0.395 1
1 394 . 9 1 1 A 32 32 GLY N N 32 107.591 107.065 0.526 1
1 395 . 9 1 1 A 33 33 GLY H H 33 8.667 7.931 0.736 1
1 396 . 9 1 1 A 33 33 GLY HA2 H 33 4.062 4.009 0.053 1
1 397 . 9 1 1 A 33 33 GLY HA3 H 33 3.879 4.015 -0.136 1
1 398 . 9 1 1 A 33 33 GLY C C 33 175.510 173.536 1.974 1
1 399 . 9 1 1 A 33 33 GLY CA C 33 46.603 44.108 2.495 1
1 400 . 9 1 1 A 33 33 GLY N N 33 109.700 107.370 2.330 1
1 401 . 9 1 1 A 34 34 VAL H H 34 8.049 8.644 -0.595 1
1 402 . 9 1 1 A 34 34 VAL HA H 34 4.309 3.721 0.588 1
1 410 . 9 1 1 A 34 34 VAL C C 34 176.726 176.328 0.398 1
1 411 . 9 1 1 A 34 34 VAL CA C 34 62.780 63.253 -0.473 1
1 412 . 9 1 1 A 34 34 VAL CB C 34 32.022 30.218 1.804 1
1 415 . 9 1 1 A 34 34 VAL N N 34 117.737 118.083 -0.346 1
1 416 . 9 1 1 A 35 35 THR H H 35 8.141 8.211 -0.070 1
1 417 . 9 1 1 A 35 35 THR HA H 35 4.239 4.364 -0.125 1
1 422 . 9 1 1 A 35 35 THR C C 35 174.905 174.729 0.176 1
1 423 . 9 1 1 A 35 35 THR CA C 35 62.571 62.199 0.372 1
1 424 . 9 1 1 A 35 35 THR CB C 35 69.247 69.354 -0.107 1
1 426 . 9 1 1 A 35 35 THR N N 35 111.884 112.324 -0.440 1
1 427 . 9 1 1 A 36 36 VAL H H 36 7.560 7.458 0.102 1
1 428 . 9 1 1 A 36 36 VAL HA H 36 3.940 3.807 0.133 1
1 436 . 9 1 1 A 36 36 VAL C C 36 177.003 176.846 0.157 1
1 437 . 9 1 1 A 36 36 VAL CA C 36 64.440 64.478 -0.038 1
1 438 . 9 1 1 A 36 36 VAL CB C 36 31.926 31.048 0.878 1
1 441 . 9 1 1 A 36 36 VAL N N 36 120.063 123.908 -3.845 1
1 442 . 9 1 1 A 37 37 GLY H H 37 8.427 8.365 0.062 1
1 443 . 9 1 1 A 37 37 GLY HA2 H 37 4.143 4.032 0.111 1
1 444 . 9 1 1 A 37 37 GLY HA3 H 37 4.077 4.044 0.033 1
1 445 . 9 1 1 A 37 37 GLY C C 37 176.084 175.019 1.065 1
1 446 . 9 1 1 A 37 37 GLY CA C 37 45.593 45.643 -0.050 1
1 447 . 9 1 1 A 37 37 GLY N N 37 110.570 114.585 -4.015 1
1 448 . 9 1 1 A 38 38 LEU H H 38 8.157 7.962 0.195 1
1 449 . 9 1 1 A 38 38 LEU HA H 38 4.094 4.086 0.008 1
1 458 . 9 1 1 A 38 38 LEU C C 38 177.948 178.871 -0.923 1
1 459 . 9 1 1 A 38 38 LEU CA C 38 56.472 57.551 -1.079 1
1 460 . 9 1 1 A 38 38 LEU CB C 38 42.644 41.818 0.826 1
1 464 . 9 1 1 A 38 38 LEU N N 38 121.095 121.613 -0.518 1
1 465 . 9 1 1 A 39 39 SER H H 39 8.417 8.386 0.031 1
1 466 . 9 1 1 A 39 39 SER HA H 39 3.921 4.190 -0.269 1
1 469 . 9 1 1 A 39 39 SER C C 39 176.742 177.221 -0.479 1
1 470 . 9 1 1 A 39 39 SER CA C 39 62.250 61.382 0.868 1
1 471 . 9 1 1 A 39 39 SER CB C 39 62.228 62.186 0.042 1
1 472 . 9 1 1 A 39 39 SER N N 39 113.122 115.626 -2.504 1
1 473 . 9 1 1 A 40 40 GLY H H 40 8.169 7.877 0.292 1
1 474 . 9 1 1 A 40 40 GLY HA2 H 40 4.108 4.000 0.108 1
1 475 . 9 1 1 A 40 40 GLY HA3 H 40 3.990 4.003 -0.013 1
1 476 . 9 1 1 A 40 40 GLY C C 40 175.225 175.574 -0.349 1
1 477 . 9 1 1 A 40 40 GLY CA C 40 46.354 46.579 -0.225 1
1 478 . 9 1 1 A 40 40 GLY N N 40 107.856 110.866 -3.010 1
1 479 . 9 1 1 A 41 41 VAL H H 41 7.321 7.770 -0.449 1
1 480 . 9 1 1 A 41 41 VAL HA H 41 4.482 3.756 0.726 1
1 488 . 9 1 1 A 41 41 VAL C C 41 176.112 177.637 -1.525 1
1 489 . 9 1 1 A 41 41 VAL CA C 41 61.490 64.761 -3.271 1
1 490 . 9 1 1 A 41 41 VAL CB C 41 33.211 31.487 1.724 1
1 493 . 9 1 1 A 41 41 VAL N N 41 114.922 120.706 -5.784 1
1 494 . 9 1 1 A 42 42 PHE H H 42 7.832 8.431 -0.599 1
1 495 . 9 1 1 A 42 42 PHE HA H 42 3.890 3.977 -0.087 1
1 501 . 9 1 1 A 42 42 PHE C C 42 176.656 177.456 -0.800 1
1 502 . 9 1 1 A 42 42 PHE CA C 42 62.384 61.834 0.550 1
1 503 . 9 1 1 A 42 42 PHE CB C 42 39.677 38.780 0.897 1
1 507 . 9 1 1 A 42 42 PHE N N 42 122.726 120.957 1.769 1
1 508 . 9 1 1 A 43 43 THR H H 43 8.606 7.912 0.694 1
1 509 . 9 1 1 A 43 43 THR HA H 43 3.771 3.909 -0.138 1
1 514 . 9 1 1 A 43 43 THR C C 43 176.755 176.880 -0.125 1
1 515 . 9 1 1 A 43 43 THR CA C 43 66.787 66.799 -0.012 1
1 516 . 9 1 1 A 43 43 THR CB C 43 68.302 68.943 -0.641 1
1 518 . 9 1 1 A 43 43 THR N N 43 113.613 114.669 -1.056 1
1 519 . 9 1 1 A 44 44 ALA H H 44 7.860 7.995 -0.135 1
1 520 . 9 1 1 A 44 44 ALA HA H 44 4.203 4.054 0.149 1
1 524 . 9 1 1 A 44 44 ALA C C 44 181.044 180.275 0.769 1
1 525 . 9 1 1 A 44 44 ALA CA C 44 54.896 55.020 -0.124 1
1 526 . 9 1 1 A 44 44 ALA CB C 44 17.985 18.276 -0.291 1
1 527 . 9 1 1 A 44 44 ALA N N 44 125.406 123.964 1.442 1
1 528 . 9 1 1 A 45 45 VAL H H 45 8.391 7.524 0.867 1
1 529 . 9 1 1 A 45 45 VAL HA H 45 3.565 3.373 0.192 1
1 537 . 9 1 1 A 45 45 VAL C C 45 177.079 177.896 -0.817 1
1 538 . 9 1 1 A 45 45 VAL CA C 45 66.523 66.338 0.185 1
1 539 . 9 1 1 A 45 45 VAL CB C 45 31.323 31.365 -0.042 1
1 542 . 9 1 1 A 45 45 VAL N N 45 120.467 117.819 2.648 1
1 543 . 9 1 1 A 46 46 LYS H H 46 8.270 8.050 0.220 1
1 544 . 9 1 1 A 46 46 LYS HA H 46 3.699 3.871 -0.172 1
1 550 . 9 1 1 A 46 46 LYS C C 46 179.171 179.194 -0.023 1
1 551 . 9 1 1 A 46 46 LYS CA C 46 60.606 59.561 1.045 1
1 552 . 9 1 1 A 46 46 LYS CB C 46 32.057 32.194 -0.137 1
1 556 . 9 1 1 A 46 46 LYS N N 46 120.461 118.921 1.540 1
1 557 . 9 1 1 A 47 47 ALA H H 47 7.854 7.690 0.164 1
1 558 . 9 1 1 A 47 47 ALA HA H 47 4.192 4.114 0.078 1
1 562 . 9 1 1 A 47 47 ALA C C 47 179.565 179.793 -0.228 1
1 563 . 9 1 1 A 47 47 ALA CA C 47 54.782 54.908 -0.126 1
1 564 . 9 1 1 A 47 47 ALA CB C 47 18.004 18.082 -0.078 1
1 565 . 9 1 1 A 47 47 ALA N N 47 120.799 122.068 -1.269 1
1 566 . 9 1 1 A 48 48 ALA H H 48 7.931 7.708 0.223 1
1 567 . 9 1 1 A 48 48 ALA HA H 48 4.232 4.097 0.135 1
1 571 . 9 1 1 A 48 48 ALA C C 48 180.197 179.898 0.299 1
1 572 . 9 1 1 A 48 48 ALA CA C 48 55.028 54.918 0.110 1
1 573 . 9 1 1 A 48 48 ALA CB C 48 17.968 18.530 -0.562 1
1 574 . 9 1 1 A 48 48 ALA N N 48 120.585 120.497 0.088 1
1 575 . 9 1 1 A 49 49 ILE H H 49 8.270 7.634 0.636 1
1 576 . 9 1 1 A 49 49 ILE HA H 49 3.190 3.511 -0.321 1
1 586 . 9 1 1 A 49 49 ILE C C 49 177.762 177.991 -0.229 1
1 587 . 9 1 1 A 49 49 ILE CA C 49 66.396 65.495 0.901 1
1 588 . 9 1 1 A 49 49 ILE CB C 49 38.698 37.638 1.060 1
1 592 . 9 1 1 A 49 49 ILE N N 49 118.535 119.731 -1.196 1
1 593 . 9 1 1 A 50 50 ALA H H 50 7.198 8.322 -1.124 1
1 594 . 9 1 1 A 50 50 ALA HA H 50 4.154 4.046 0.108 1
1 598 . 9 1 1 A 50 50 ALA C C 50 179.323 179.754 -0.431 1
1 599 . 9 1 1 A 50 50 ALA CA C 50 54.684 54.722 -0.038 1
1 600 . 9 1 1 A 50 50 ALA CB C 50 18.877 18.142 0.735 1
1 601 . 9 1 1 A 50 50 ALA N N 50 118.853 121.568 -2.715 1
1 602 . 9 1 1 A 51 51 LYS H H 51 8.047 7.456 0.591 1
1 603 . 9 1 1 A 51 51 LYS HA H 51 4.372 4.168 0.204 1
1 609 . 9 1 1 A 51 51 LYS C C 51 177.694 177.752 -0.058 1
1 610 . 9 1 1 A 51 51 LYS CA C 51 57.678 59.002 -1.324 1
1 611 . 9 1 1 A 51 51 LYS CB C 51 34.279 33.031 1.248 1
1 615 . 9 1 1 A 51 51 LYS N N 51 114.606 117.235 -2.629 1
1 616 . 9 1 1 A 52 52 GLN H H 52 8.707 8.461 0.246 1
1 617 . 9 1 1 A 52 52 GLN HA H 52 4.592 4.460 0.132 1
1 624 . 9 1 1 A 52 52 GLN C C 52 176.792 175.930 0.862 1
1 625 . 9 1 1 A 52 52 GLN CA C 52 56.454 56.941 -0.487 1
1 626 . 9 1 1 A 52 52 GLN CB C 52 31.792 31.237 0.555 1
1 629 . 9 1 1 A 52 52 GLN N N 52 115.942 115.394 0.548 1
1 631 . 9 1 1 A 53 53 GLY H H 53 8.045 7.316 0.729 1
1 632 . 9 1 1 A 53 53 GLY HA2 H 53 4.568 4.058 0.510 1
1 633 . 9 1 1 A 53 53 GLY HA3 H 53 4.066 4.060 0.006 1
1 634 . 9 1 1 A 53 53 GLY C C 53 173.741 174.628 -0.887 1
1 635 . 9 1 1 A 53 53 GLY CA C 53 44.553 45.855 -1.302 1
1 636 . 9 1 1 A 53 53 GLY N N 53 110.313 103.278 7.035 1
1 637 . 9 1 1 A 54 54 ILE H H 54 8.281 8.673 -0.392 1
1 638 . 9 1 1 A 54 54 ILE HA H 54 3.583 3.722 -0.139 1
1 648 . 9 1 1 A 54 54 ILE C C 54 177.313 177.992 -0.679 1
1 649 . 9 1 1 A 54 54 ILE CA C 54 65.253 64.306 0.947 1
1 650 . 9 1 1 A 54 54 ILE CB C 54 38.489 37.652 0.837 1
1 654 . 9 1 1 A 54 54 ILE N N 54 117.579 119.448 -1.869 1
1 655 . 9 1 1 A 55 55 LYS H H 55 8.334 8.281 0.053 1
1 656 . 9 1 1 A 55 55 LYS HA H 55 3.955 4.056 -0.101 1
1 663 . 9 1 1 A 55 55 LYS C C 55 180.026 178.529 1.497 1
1 664 . 9 1 1 A 55 55 LYS CA C 55 60.343 59.178 1.165 1
1 665 . 9 1 1 A 55 55 LYS CB C 55 31.693 32.266 -0.573 1
1 669 . 9 1 1 A 55 55 LYS N N 55 119.039 123.074 -4.035 1
1 670 . 9 1 1 A 56 56 LYS H H 56 7.987 8.003 -0.016 1
1 671 . 9 1 1 A 56 56 LYS HA H 56 4.130 4.030 0.100 1
1 677 . 9 1 1 A 56 56 LYS C C 56 178.612 179.430 -0.818 1
1 678 . 9 1 1 A 56 56 LYS CA C 56 57.715 59.293 -1.578 1
1 679 . 9 1 1 A 56 56 LYS CB C 56 31.714 32.319 -0.605 1
1 683 . 9 1 1 A 56 56 LYS N N 56 119.113 119.999 -0.886 1
1 684 . 9 1 1 A 57 57 ALA H H 57 7.735 7.668 0.067 1
1 685 . 9 1 1 A 57 57 ALA HA H 57 3.911 3.964 -0.053 1
1 689 . 9 1 1 A 57 57 ALA C C 57 178.713 180.378 -1.665 1
1 690 . 9 1 1 A 57 57 ALA CA C 57 55.568 54.947 0.621 1
1 691 . 9 1 1 A 57 57 ALA CB C 57 19.922 18.231 1.691 1
1 692 . 9 1 1 A 57 57 ALA N N 57 122.357 121.898 0.459 1
1 693 . 9 1 1 A 58 58 ILE H H 58 8.257 7.546 0.711 1
1 694 . 9 1 1 A 58 58 ILE HA H 58 3.452 3.598 -0.146 1
1 704 . 9 1 1 A 58 58 ILE C C 58 177.688 177.770 -0.082 1
1 705 . 9 1 1 A 58 58 ILE CA C 58 66.157 65.402 0.755 1
1 706 . 9 1 1 A 58 58 ILE CB C 58 38.306 38.004 0.302 1
1 710 . 9 1 1 A 58 58 ILE N N 58 117.279 119.053 -1.774 1
1 711 . 9 1 1 A 59 59 GLN H H 59 7.752 8.250 -0.498 1
1 712 . 9 1 1 A 59 59 GLN HA H 59 3.916 4.126 -0.210 1
1 719 . 9 1 1 A 59 59 GLN C C 59 178.976 178.744 0.232 1
1 720 . 9 1 1 A 59 59 GLN CA C 59 59.112 58.565 0.547 1
1 721 . 9 1 1 A 59 59 GLN CB C 59 28.189 28.245 -0.056 1
1 724 . 9 1 1 A 59 59 GLN N N 59 117.533 118.518 -0.985 1
1 18 . 10 1 1 A 2 2 VAL H H 2 8.475 8.222 0.253 1
1 19 . 10 1 1 A 2 2 VAL HA H 2 4.528 3.917 0.611 1
1 27 . 10 1 1 A 2 2 VAL C C 2 181.462 178.037 3.425 1
1 28 . 10 1 1 A 2 2 VAL CA C 2 65.162 66.648 -1.486 1
1 29 . 10 1 1 A 2 2 VAL CB C 2 31.895 31.570 0.325 1
1 32 . 10 1 1 A 2 2 VAL N N 2 121.849 117.061 4.788 1
1 33 . 10 1 1 A 3 3 ALA H H 3 8.256 8.485 -0.229 1
1 34 . 10 1 1 A 3 3 ALA HA H 3 4.173 4.108 0.065 1
1 38 . 10 1 1 A 3 3 ALA C C 3 179.402 179.493 -0.091 1
1 39 . 10 1 1 A 3 3 ALA CA C 3 54.725 54.912 -0.187 1
1 40 . 10 1 1 A 3 3 ALA CB C 3 17.784 18.082 -0.298 1
1 41 . 10 1 1 A 3 3 ALA N N 3 124.615 121.539 3.076 1
1 42 . 10 1 1 A 4 4 TYR H H 4 7.717 8.230 -0.513 1
1 43 . 10 1 1 A 4 4 TYR HA H 4 4.465 4.277 0.188 1
1 48 . 10 1 1 A 4 4 TYR C C 4 177.710 176.247 1.463 1
1 49 . 10 1 1 A 4 4 TYR CA C 4 58.648 60.668 -2.020 1
1 50 . 10 1 1 A 4 4 TYR CB C 4 38.838 38.741 0.097 1
1 53 . 10 1 1 A 4 4 TYR N N 4 117.777 116.683 1.094 1
1 54 . 10 1 1 A 5 5 GLY H H 5 7.942 7.989 -0.047 1
1 55 . 10 1 1 A 5 5 GLY HA2 H 5 4.373 4.104 0.269 1
1 56 . 10 1 1 A 5 5 GLY HA3 H 5 3.699 4.118 -0.419 1
1 57 . 10 1 1 A 5 5 GLY C C 5 174.273 174.858 -0.585 1
1 58 . 10 1 1 A 5 5 GLY CA C 5 45.019 45.506 -0.487 1
1 59 . 10 1 1 A 5 5 GLY N N 5 105.556 105.698 -0.142 1
1 60 . 10 1 1 A 6 6 ILE H H 6 7.844 7.719 0.125 1
1 61 . 10 1 1 A 6 6 ILE HA H 6 4.135 4.100 0.035 1
1 71 . 10 1 1 A 6 6 ILE C C 6 174.476 176.558 -2.082 1
1 72 . 10 1 1 A 6 6 ILE CA C 6 59.997 61.406 -1.409 1
1 73 . 10 1 1 A 6 6 ILE CB C 6 37.498 38.002 -0.504 1
1 77 . 10 1 1 A 6 6 ILE N N 6 123.172 122.185 0.987 1
1 78 . 10 1 1 A 7 7 ALA H H 7 8.361 8.651 -0.290 1
1 79 . 10 1 1 A 7 7 ALA HA H 7 4.205 4.258 -0.053 1
1 83 . 10 1 1 A 7 7 ALA C C 7 178.710 178.794 -0.084 1
1 84 . 10 1 1 A 7 7 ALA CA C 7 52.736 52.600 0.136 1
1 85 . 10 1 1 A 7 7 ALA CB C 7 19.343 19.435 -0.092 1
1 86 . 10 1 1 A 7 7 ALA N N 7 128.201 128.797 -0.596 1
1 87 . 10 1 1 A 8 8 GLN H H 8 8.929 8.769 0.160 1
1 88 . 10 1 1 A 8 8 GLN HA H 8 3.670 4.078 -0.408 1
1 95 . 10 1 1 A 8 8 GLN C C 8 177.362 178.354 -0.992 1
1 96 . 10 1 1 A 8 8 GLN CA C 8 60.337 58.114 2.223 1
1 97 . 10 1 1 A 8 8 GLN CB C 8 28.290 28.160 0.130 1
1 100 . 10 1 1 A 8 8 GLN N N 8 121.784 121.689 0.095 1
1 102 . 10 1 1 A 9 9 GLY H H 9 9.034 8.264 0.770 1
1 103 . 10 1 1 A 9 9 GLY HA2 H 9 3.891 3.638 0.253 1
1 104 . 10 1 1 A 9 9 GLY C C 9 177.273 176.280 0.993 1
1 105 . 10 1 1 A 9 9 GLY CA C 9 47.126 47.403 -0.277 1
1 106 . 10 1 1 A 9 9 GLY N N 9 105.262 109.009 -3.747 1
1 107 . 10 1 1 A 10 10 THR H H 10 7.254 8.192 -0.938 1
1 108 . 10 1 1 A 10 10 THR HA H 10 4.010 4.093 -0.083 1
1 113 . 10 1 1 A 10 10 THR C C 10 175.476 176.272 -0.796 1
1 114 . 10 1 1 A 10 10 THR CA C 10 65.939 65.452 0.487 1
1 115 . 10 1 1 A 10 10 THR CB C 10 68.252 68.701 -0.449 1
1 117 . 10 1 1 A 10 10 THR N N 10 118.993 116.895 2.098 1
1 118 . 10 1 1 A 11 11 ALA H H 11 9.152 8.155 0.997 1
1 119 . 10 1 1 A 11 11 ALA HA H 11 3.759 3.960 -0.201 1
1 123 . 10 1 1 A 11 11 ALA C C 11 178.878 180.045 -1.167 1
1 124 . 10 1 1 A 11 11 ALA CA C 11 55.756 55.449 0.307 1
1 125 . 10 1 1 A 11 11 ALA CB C 11 19.820 18.408 1.412 1
1 126 . 10 1 1 A 11 11 ALA N N 11 126.026 122.941 3.085 1
1 127 . 10 1 1 A 12 12 GLU H H 12 8.442 8.004 0.438 1
1 128 . 10 1 1 A 12 12 GLU HA H 12 3.748 4.088 -0.340 1
1 133 . 10 1 1 A 12 12 GLU C C 12 179.309 179.171 0.138 1
1 134 . 10 1 1 A 12 12 GLU CA C 12 59.899 58.574 1.325 1
1 135 . 10 1 1 A 12 12 GLU CB C 12 29.713 29.428 0.285 1
1 137 . 10 1 1 A 12 12 GLU N N 12 115.831 118.740 -2.909 1
1 138 . 10 1 1 A 13 13 LYS H H 13 7.253 7.688 -0.435 1
1 139 . 10 1 1 A 13 13 LYS HA H 13 4.147 4.062 0.085 1
1 145 . 10 1 1 A 13 13 LYS C C 13 178.842 179.293 -0.451 1
1 146 . 10 1 1 A 13 13 LYS CA C 13 59.198 59.401 -0.203 1
1 147 . 10 1 1 A 13 13 LYS CB C 13 32.678 32.568 0.110 1
1 150 . 10 1 1 A 13 13 LYS N N 13 119.708 119.801 -0.093 1
1 151 . 10 1 1 A 14 14 VAL H H 14 8.649 8.182 0.467 1
1 152 . 10 1 1 A 14 14 VAL HA H 14 3.368 3.877 -0.509 1
1 160 . 10 1 1 A 14 14 VAL C C 14 177.806 178.282 -0.476 1
1 161 . 10 1 1 A 14 14 VAL CA C 14 67.448 65.774 1.674 1
1 162 . 10 1 1 A 14 14 VAL CB C 14 31.423 31.738 -0.315 1
1 165 . 10 1 1 A 14 14 VAL N N 14 119.012 116.004 3.008 1
1 166 . 10 1 1 A 15 15 VAL H H 15 8.172 8.078 0.094 1
1 167 . 10 1 1 A 15 15 VAL HA H 15 3.418 3.542 -0.124 1
1 175 . 10 1 1 A 15 15 VAL C C 15 177.325 178.323 -0.998 1
1 176 . 10 1 1 A 15 15 VAL CA C 15 67.632 66.801 0.831 1
1 177 . 10 1 1 A 15 15 VAL CB C 15 31.168 31.518 -0.350 1
1 180 . 10 1 1 A 15 15 VAL N N 15 117.226 121.582 -4.356 1
1 181 . 10 1 1 A 16 16 SER H H 16 7.804 7.872 -0.068 1
1 182 . 10 1 1 A 16 16 SER HA H 16 4.232 4.128 0.104 1
1 185 . 10 1 1 A 16 16 SER C C 16 177.563 177.048 0.515 1
1 186 . 10 1 1 A 16 16 SER CA C 16 61.988 61.252 0.736 1
1 187 . 10 1 1 A 16 16 SER CB C 16 62.781 63.080 -0.299 1
1 188 . 10 1 1 A 16 16 SER N N 16 115.358 115.535 -0.177 1
1 189 . 10 1 1 A 17 17 LEU H H 17 8.089 7.827 0.262 1
1 190 . 10 1 1 A 17 17 LEU HA H 17 4.234 4.161 0.073 1
1 200 . 10 1 1 A 17 17 LEU C C 17 179.382 179.271 0.111 1
1 201 . 10 1 1 A 17 17 LEU CA C 17 57.908 57.751 0.157 1
1 202 . 10 1 1 A 17 17 LEU CB C 17 41.459 41.495 -0.036 1
1 206 . 10 1 1 A 17 17 LEU N N 17 121.995 122.754 -0.759 1
1 207 . 10 1 1 A 18 18 ILE H H 18 8.690 8.203 0.487 1
1 208 . 10 1 1 A 18 18 ILE HA H 18 3.799 3.624 0.175 1
1 218 . 10 1 1 A 18 18 ILE C C 18 181.545 178.157 3.388 1
1 219 . 10 1 1 A 18 18 ILE CA C 18 65.849 65.143 0.706 1
1 220 . 10 1 1 A 18 18 ILE CB C 18 37.844 37.229 0.615 1
1 224 . 10 1 1 A 18 18 ILE N N 18 121.273 119.764 1.509 1
1 225 . 10 1 1 A 19 19 ASN H H 19 8.663 8.043 0.620 1
1 226 . 10 1 1 A 19 19 ASN HA H 19 4.548 4.524 0.024 1
1 231 . 10 1 1 A 19 19 ASN C C 19 176.165 177.099 -0.934 1
1 232 . 10 1 1 A 19 19 ASN CA C 19 55.365 56.135 -0.770 1
1 233 . 10 1 1 A 19 19 ASN CB C 19 38.196 39.200 -1.004 1
1 235 . 10 1 1 A 19 19 ASN N N 19 120.662 119.973 0.689 1
1 237 . 10 1 1 A 20 20 ALA H H 20 7.564 7.288 0.276 1
1 238 . 10 1 1 A 20 20 ALA HA H 20 4.411 4.270 0.141 1
1 242 . 10 1 1 A 20 20 ALA C C 20 175.860 177.981 -2.121 1
1 243 . 10 1 1 A 20 20 ALA CA C 20 52.478 52.442 0.036 1
1 244 . 10 1 1 A 20 20 ALA CB C 20 18.668 19.647 -0.979 1
1 245 . 10 1 1 A 20 20 ALA N N 20 120.105 118.847 1.258 1
1 246 . 10 1 1 A 21 21 GLY H H 21 7.959 8.310 -0.351 1
1 247 . 10 1 1 A 21 21 GLY HA2 H 21 4.310 3.953 0.357 1
1 248 . 10 1 1 A 21 21 GLY HA3 H 21 3.804 3.961 -0.157 1
1 249 . 10 1 1 A 21 21 GLY C C 21 175.014 174.729 0.285 1
1 250 . 10 1 1 A 21 21 GLY CA C 21 45.286 45.023 0.263 1
1 251 . 10 1 1 A 21 21 GLY N N 21 105.589 106.951 -1.362 1
1 252 . 10 1 1 A 22 22 LEU H H 22 7.529 7.832 -0.303 1
1 253 . 10 1 1 A 22 22 LEU HA H 22 4.462 4.396 0.066 1
1 263 . 10 1 1 A 22 22 LEU C C 22 177.271 176.783 0.488 1
1 264 . 10 1 1 A 22 22 LEU CA C 22 56.388 54.335 2.053 1
1 265 . 10 1 1 A 22 22 LEU CB C 22 42.442 43.009 -0.567 1
1 269 . 10 1 1 A 22 22 LEU N N 22 121.608 120.426 1.182 1
1 270 . 10 1 1 A 23 23 THR H H 23 7.976 8.506 -0.530 1
1 271 . 10 1 1 A 23 23 THR HA H 23 4.335 4.681 -0.346 1
1 276 . 10 1 1 A 23 23 THR C C 23 175.978 175.640 0.338 1
1 277 . 10 1 1 A 23 23 THR CA C 23 60.185 60.733 -0.548 1
1 278 . 10 1 1 A 23 23 THR CB C 23 71.142 71.259 -0.117 1
1 280 . 10 1 1 A 23 23 THR N N 23 108.756 112.646 -3.890 1
1 281 . 10 1 1 A 24 24 VAL H H 24 8.201 8.654 -0.453 1
1 282 . 10 1 1 A 24 24 VAL HA H 24 3.337 3.569 -0.232 1
1 290 . 10 1 1 A 24 24 VAL C C 24 176.772 177.882 -1.110 1
1 291 . 10 1 1 A 24 24 VAL CA C 24 66.172 65.867 0.305 1
1 292 . 10 1 1 A 24 24 VAL CB C 24 30.752 31.457 -0.705 1
1 295 . 10 1 1 A 24 24 VAL N N 24 119.897 122.288 -2.391 1
1 296 . 10 1 1 A 25 25 GLY H H 25 8.328 8.271 0.057 1
1 297 . 10 1 1 A 25 25 GLY HA2 H 25 3.830 3.766 0.064 1
1 298 . 10 1 1 A 25 25 GLY HA3 H 25 3.722 3.780 -0.058 1
1 299 . 10 1 1 A 25 25 GLY C C 25 177.352 176.428 0.924 1
1 300 . 10 1 1 A 25 25 GLY CA C 25 46.824 47.396 -0.572 1
1 301 . 10 1 1 A 25 25 GLY N N 25 106.836 109.423 -2.587 1
1 302 . 10 1 1 A 26 26 SER H H 26 7.626 8.045 -0.419 1
1 303 . 10 1 1 A 26 26 SER HA H 26 4.286 4.143 0.143 1
1 306 . 10 1 1 A 26 26 SER C C 26 176.160 176.298 -0.138 1
1 307 . 10 1 1 A 26 26 SER CA C 26 61.829 62.385 -0.556 1
1 308 . 10 1 1 A 26 26 SER CB C 26 63.022 63.011 0.011 1
1 309 . 10 1 1 A 26 26 SER N N 26 118.367 119.297 -0.930 1
1 310 . 10 1 1 A 27 27 ILE H H 27 8.072 7.464 0.608 1
1 311 . 10 1 1 A 27 27 ILE HA H 27 3.494 3.452 0.042 1
1 321 . 10 1 1 A 27 27 ILE C C 27 177.364 178.114 -0.750 1
1 322 . 10 1 1 A 27 27 ILE CA C 27 66.333 64.522 1.811 1
1 323 . 10 1 1 A 27 27 ILE CB C 27 38.065 37.468 0.597 1
1 327 . 10 1 1 A 27 27 ILE N N 27 122.663 120.764 1.899 1
1 328 . 10 1 1 A 28 28 ILE H H 28 8.317 7.844 0.473 1
1 329 . 10 1 1 A 28 28 ILE HA H 28 3.790 3.545 0.245 1
1 339 . 10 1 1 A 28 28 ILE C C 28 179.278 178.143 1.135 1
1 340 . 10 1 1 A 28 28 ILE CA C 28 65.107 65.001 0.106 1
1 341 . 10 1 1 A 28 28 ILE CB C 28 38.185 37.455 0.730 1
1 345 . 10 1 1 A 28 28 ILE N N 28 119.722 120.664 -0.942 1
1 346 . 10 1 1 A 29 29 SER H H 29 7.703 7.504 0.199 1
1 347 . 10 1 1 A 29 29 SER HA H 29 4.185 4.157 0.028 1
1 349 . 10 1 1 A 29 29 SER C C 29 176.198 177.003 -0.805 1
1 350 . 10 1 1 A 29 29 SER CA C 29 61.588 61.148 0.440 1
1 351 . 10 1 1 A 29 29 SER CB C 29 63.021 63.032 -0.011 1
1 352 . 10 1 1 A 29 29 SER N N 29 114.967 116.228 -1.261 1
1 353 . 10 1 1 A 30 30 ILE H H 30 7.798 7.471 0.327 1
1 354 . 10 1 1 A 30 30 ILE HA H 30 3.884 3.755 0.129 1
1 364 . 10 1 1 A 30 30 ILE C C 30 177.721 178.041 -0.320 1
1 365 . 10 1 1 A 30 30 ILE CA C 30 64.231 64.337 -0.106 1
1 366 . 10 1 1 A 30 30 ILE CB C 30 39.382 37.865 1.517 1
1 370 . 10 1 1 A 30 30 ILE N N 30 120.517 121.508 -0.991 1
1 371 . 10 1 1 A 31 31 LEU H H 31 8.279 7.601 0.678 1
1 372 . 10 1 1 A 31 31 LEU HA H 31 4.362 3.993 0.369 1
1 382 . 10 1 1 A 31 31 LEU C C 31 178.475 177.462 1.013 1
1 383 . 10 1 1 A 31 31 LEU CA C 31 55.587 57.122 -1.535 1
1 384 . 10 1 1 A 31 31 LEU CB C 31 39.699 42.240 -2.541 1
1 388 . 10 1 1 A 31 31 LEU N N 31 117.941 120.343 -2.402 1
1 389 . 10 1 1 A 32 32 GLY H H 32 8.219 8.686 -0.467 1
1 390 . 10 1 1 A 32 32 GLY HA2 H 32 4.123 3.929 0.194 1
1 391 . 10 1 1 A 32 32 GLY HA3 H 32 3.878 3.933 -0.055 1
1 392 . 10 1 1 A 32 32 GLY C C 32 175.512 174.283 1.229 1
1 393 . 10 1 1 A 32 32 GLY CA C 32 45.604 46.257 -0.653 1
1 394 . 10 1 1 A 32 32 GLY N N 32 107.591 107.164 0.427 1
1 395 . 10 1 1 A 33 33 GLY H H 33 8.667 7.939 0.728 1
1 396 . 10 1 1 A 33 33 GLY HA2 H 33 4.062 4.104 -0.042 1
1 397 . 10 1 1 A 33 33 GLY HA3 H 33 3.879 4.105 -0.226 1
1 398 . 10 1 1 A 33 33 GLY C C 33 175.510 174.405 1.105 1
1 399 . 10 1 1 A 33 33 GLY CA C 33 46.603 44.623 1.980 1
1 400 . 10 1 1 A 33 33 GLY N N 33 109.700 107.667 2.033 1
1 401 . 10 1 1 A 34 34 VAL H H 34 8.049 8.680 -0.631 1
1 402 . 10 1 1 A 34 34 VAL HA H 34 4.309 4.134 0.175 1
1 410 . 10 1 1 A 34 34 VAL C C 34 176.726 176.436 0.290 1
1 411 . 10 1 1 A 34 34 VAL CA C 34 62.780 61.577 1.203 1
1 412 . 10 1 1 A 34 34 VAL CB C 34 32.022 30.833 1.189 1
1 415 . 10 1 1 A 34 34 VAL N N 34 117.737 116.920 0.817 1
1 416 . 10 1 1 A 35 35 THR H H 35 8.141 8.206 -0.065 1
1 417 . 10 1 1 A 35 35 THR HA H 35 4.239 4.394 -0.155 1
1 422 . 10 1 1 A 35 35 THR C C 35 174.905 175.727 -0.822 1
1 423 . 10 1 1 A 35 35 THR CA C 35 62.571 62.813 -0.242 1
1 424 . 10 1 1 A 35 35 THR CB C 35 69.247 68.834 0.413 1
1 426 . 10 1 1 A 35 35 THR N N 35 111.884 116.558 -4.674 1
1 427 . 10 1 1 A 36 36 VAL H H 36 7.560 7.985 -0.425 1
1 428 . 10 1 1 A 36 36 VAL HA H 36 3.940 3.986 -0.046 1
1 436 . 10 1 1 A 36 36 VAL C C 36 177.003 178.143 -1.140 1
1 437 . 10 1 1 A 36 36 VAL CA C 36 64.440 65.204 -0.764 1
1 438 . 10 1 1 A 36 36 VAL CB C 36 31.926 31.247 0.679 1
1 441 . 10 1 1 A 36 36 VAL N N 36 120.063 122.115 -2.052 1
1 442 . 10 1 1 A 37 37 GLY H H 37 8.427 8.219 0.208 1
1 443 . 10 1 1 A 37 37 GLY HA2 H 37 4.143 3.634 0.509 1
1 444 . 10 1 1 A 37 37 GLY HA3 H 37 4.077 3.637 0.440 1
1 445 . 10 1 1 A 37 37 GLY C C 37 176.084 176.051 0.033 1
1 446 . 10 1 1 A 37 37 GLY CA C 37 45.593 47.129 -1.536 1
1 447 . 10 1 1 A 37 37 GLY N N 37 110.570 111.032 -0.462 1
1 448 . 10 1 1 A 38 38 LEU H H 38 8.157 8.144 0.013 1
1 449 . 10 1 1 A 38 38 LEU HA H 38 4.094 4.004 0.090 1
1 458 . 10 1 1 A 38 38 LEU C C 38 177.948 178.628 -0.680 1
1 459 . 10 1 1 A 38 38 LEU CA C 38 56.472 58.371 -1.899 1
1 460 . 10 1 1 A 38 38 LEU CB C 38 42.644 41.241 1.403 1
1 464 . 10 1 1 A 38 38 LEU N N 38 121.095 121.756 -0.661 1
1 465 . 10 1 1 A 39 39 SER H H 39 8.417 8.619 -0.202 1
1 466 . 10 1 1 A 39 39 SER HA H 39 3.921 4.299 -0.378 1
1 469 . 10 1 1 A 39 39 SER C C 39 176.742 176.789 -0.047 1
1 470 . 10 1 1 A 39 39 SER CA C 39 62.250 61.028 1.222 1
1 471 . 10 1 1 A 39 39 SER CB C 39 62.228 62.720 -0.492 1
1 472 . 10 1 1 A 39 39 SER N N 39 113.122 113.268 -0.146 1
1 473 . 10 1 1 A 40 40 GLY H H 40 8.169 8.040 0.129 1
1 474 . 10 1 1 A 40 40 GLY HA2 H 40 4.108 3.943 0.165 1
1 475 . 10 1 1 A 40 40 GLY HA3 H 40 3.990 3.963 0.027 1
1 476 . 10 1 1 A 40 40 GLY C C 40 175.225 175.552 -0.327 1
1 477 . 10 1 1 A 40 40 GLY CA C 40 46.354 46.868 -0.514 1
1 478 . 10 1 1 A 40 40 GLY N N 40 107.856 110.685 -2.829 1
1 479 . 10 1 1 A 41 41 VAL H H 41 7.321 7.725 -0.404 1
1 480 . 10 1 1 A 41 41 VAL HA H 41 4.482 3.901 0.581 1
1 488 . 10 1 1 A 41 41 VAL C C 41 176.112 177.405 -1.293 1
1 489 . 10 1 1 A 41 41 VAL CA C 41 61.490 64.348 -2.858 1
1 490 . 10 1 1 A 41 41 VAL CB C 41 33.211 31.423 1.788 1
1 493 . 10 1 1 A 41 41 VAL N N 41 114.922 118.534 -3.612 1
1 494 . 10 1 1 A 42 42 PHE H H 42 7.832 8.153 -0.321 1
1 495 . 10 1 1 A 42 42 PHE HA H 42 3.890 4.008 -0.118 1
1 501 . 10 1 1 A 42 42 PHE C C 42 176.656 177.354 -0.698 1
1 502 . 10 1 1 A 42 42 PHE CA C 42 62.384 62.031 0.353 1
1 503 . 10 1 1 A 42 42 PHE CB C 42 39.677 39.229 0.448 1
1 507 . 10 1 1 A 42 42 PHE N N 42 122.726 124.067 -1.341 1
1 508 . 10 1 1 A 43 43 THR H H 43 8.606 7.639 0.967 1
1 509 . 10 1 1 A 43 43 THR HA H 43 3.771 4.146 -0.375 1
1 514 . 10 1 1 A 43 43 THR C C 43 176.755 177.290 -0.535 1
1 515 . 10 1 1 A 43 43 THR CA C 43 66.787 65.699 1.088 1
1 516 . 10 1 1 A 43 43 THR CB C 43 68.302 68.184 0.118 1
1 518 . 10 1 1 A 43 43 THR N N 43 113.613 112.395 1.218 1
1 519 . 10 1 1 A 44 44 ALA H H 44 7.860 8.050 -0.190 1
1 520 . 10 1 1 A 44 44 ALA HA H 44 4.203 4.133 0.070 1
1 524 . 10 1 1 A 44 44 ALA C C 44 181.044 180.200 0.844 1
1 525 . 10 1 1 A 44 44 ALA CA C 44 54.896 54.931 -0.035 1
1 526 . 10 1 1 A 44 44 ALA CB C 44 17.985 18.297 -0.312 1
1 527 . 10 1 1 A 44 44 ALA N N 44 125.406 124.932 0.474 1
1 528 . 10 1 1 A 45 45 VAL H H 45 8.391 7.748 0.643 1
1 529 . 10 1 1 A 45 45 VAL HA H 45 3.565 3.382 0.183 1
1 537 . 10 1 1 A 45 45 VAL C C 45 177.079 177.678 -0.599 1
1 538 . 10 1 1 A 45 45 VAL CA C 45 66.523 67.021 -0.498 1
1 539 . 10 1 1 A 45 45 VAL CB C 45 31.323 31.312 0.011 1
1 542 . 10 1 1 A 45 45 VAL N N 45 120.467 118.310 2.157 1
1 543 . 10 1 1 A 46 46 LYS H H 46 8.270 7.788 0.482 1
1 544 . 10 1 1 A 46 46 LYS HA H 46 3.699 3.874 -0.175 1
1 550 . 10 1 1 A 46 46 LYS C C 46 179.171 178.772 0.399 1
1 551 . 10 1 1 A 46 46 LYS CA C 46 60.606 59.163 1.443 1
1 552 . 10 1 1 A 46 46 LYS CB C 46 32.057 32.417 -0.360 1
1 556 . 10 1 1 A 46 46 LYS N N 46 120.461 120.117 0.344 1
1 557 . 10 1 1 A 47 47 ALA H H 47 7.854 8.040 -0.186 1
1 558 . 10 1 1 A 47 47 ALA HA H 47 4.192 4.066 0.126 1
1 562 . 10 1 1 A 47 47 ALA C C 47 179.565 179.957 -0.392 1
1 563 . 10 1 1 A 47 47 ALA CA C 47 54.782 54.873 -0.091 1
1 564 . 10 1 1 A 47 47 ALA CB C 47 18.004 18.395 -0.391 1
1 565 . 10 1 1 A 47 47 ALA N N 47 120.799 121.173 -0.374 1
1 566 . 10 1 1 A 48 48 ALA H H 48 7.931 7.540 0.391 1
1 567 . 10 1 1 A 48 48 ALA HA H 48 4.232 4.089 0.143 1
1 571 . 10 1 1 A 48 48 ALA C C 48 180.197 179.917 0.280 1
1 572 . 10 1 1 A 48 48 ALA CA C 48 55.028 55.133 -0.105 1
1 573 . 10 1 1 A 48 48 ALA CB C 48 17.968 17.953 0.015 1
1 574 . 10 1 1 A 48 48 ALA N N 48 120.585 120.350 0.235 1
1 575 . 10 1 1 A 49 49 ILE H H 49 8.270 7.651 0.619 1
1 576 . 10 1 1 A 49 49 ILE HA H 49 3.190 3.587 -0.397 1
1 586 . 10 1 1 A 49 49 ILE C C 49 177.762 177.976 -0.214 1
1 587 . 10 1 1 A 49 49 ILE CA C 49 66.396 65.420 0.976 1
1 588 . 10 1 1 A 49 49 ILE CB C 49 38.698 37.751 0.947 1
1 592 . 10 1 1 A 49 49 ILE N N 49 118.535 118.396 0.139 1
1 593 . 10 1 1 A 50 50 ALA H H 50 7.198 7.838 -0.640 1
1 594 . 10 1 1 A 50 50 ALA HA H 50 4.154 4.044 0.110 1
1 598 . 10 1 1 A 50 50 ALA C C 50 179.323 179.574 -0.251 1
1 599 . 10 1 1 A 50 50 ALA CA C 50 54.684 54.789 -0.105 1
1 600 . 10 1 1 A 50 50 ALA CB C 50 18.877 18.035 0.842 1
1 601 . 10 1 1 A 50 50 ALA N N 50 118.853 121.706 -2.853 1
1 602 . 10 1 1 A 51 51 LYS H H 51 8.047 7.809 0.238 1
1 603 . 10 1 1 A 51 51 LYS HA H 51 4.372 4.053 0.319 1
1 609 . 10 1 1 A 51 51 LYS C C 51 177.694 177.715 -0.021 1
1 610 . 10 1 1 A 51 51 LYS CA C 51 57.678 59.055 -1.377 1
1 611 . 10 1 1 A 51 51 LYS CB C 51 34.279 33.084 1.195 1
1 615 . 10 1 1 A 51 51 LYS N N 51 114.606 118.313 -3.707 1
1 616 . 10 1 1 A 52 52 GLN H H 52 8.707 8.424 0.283 1
1 617 . 10 1 1 A 52 52 GLN HA H 52 4.592 4.474 0.118 1
1 624 . 10 1 1 A 52 52 GLN C C 52 176.792 175.924 0.868 1
1 625 . 10 1 1 A 52 52 GLN CA C 52 56.454 56.516 -0.062 1
1 626 . 10 1 1 A 52 52 GLN CB C 52 31.792 31.412 0.380 1
1 629 . 10 1 1 A 52 52 GLN N N 52 115.942 115.792 0.150 1
1 631 . 10 1 1 A 53 53 GLY H H 53 8.045 7.335 0.710 1
1 632 . 10 1 1 A 53 53 GLY HA2 H 53 4.568 4.077 0.491 1
1 633 . 10 1 1 A 53 53 GLY HA3 H 53 4.066 4.077 -0.011 1
1 634 . 10 1 1 A 53 53 GLY C C 53 173.741 174.650 -0.909 1
1 635 . 10 1 1 A 53 53 GLY CA C 53 44.553 45.695 -1.142 1
1 636 . 10 1 1 A 53 53 GLY N N 53 110.313 103.422 6.891 1
1 637 . 10 1 1 A 54 54 ILE H H 54 8.281 8.676 -0.395 1
1 638 . 10 1 1 A 54 54 ILE HA H 54 3.583 3.755 -0.172 1
1 648 . 10 1 1 A 54 54 ILE C C 54 177.313 177.931 -0.618 1
1 649 . 10 1 1 A 54 54 ILE CA C 54 65.253 64.349 0.904 1
1 650 . 10 1 1 A 54 54 ILE CB C 54 38.489 37.681 0.808 1
1 654 . 10 1 1 A 54 54 ILE N N 54 117.579 119.593 -2.014 1
1 655 . 10 1 1 A 55 55 LYS H H 55 8.334 8.284 0.050 1
1 656 . 10 1 1 A 55 55 LYS HA H 55 3.955 4.066 -0.111 1
1 663 . 10 1 1 A 55 55 LYS C C 55 180.026 178.686 1.340 1
1 664 . 10 1 1 A 55 55 LYS CA C 55 60.343 59.196 1.147 1
1 665 . 10 1 1 A 55 55 LYS CB C 55 31.693 32.320 -0.627 1
1 669 . 10 1 1 A 55 55 LYS N N 55 119.039 123.214 -4.175 1
1 670 . 10 1 1 A 56 56 LYS H H 56 7.987 7.706 0.281 1
1 671 . 10 1 1 A 56 56 LYS HA H 56 4.130 4.090 0.040 1
1 677 . 10 1 1 A 56 56 LYS C C 56 178.612 178.948 -0.336 1
1 678 . 10 1 1 A 56 56 LYS CA C 56 57.715 58.349 -0.634 1
1 679 . 10 1 1 A 56 56 LYS CB C 56 31.714 31.955 -0.241 1
1 683 . 10 1 1 A 56 56 LYS N N 56 119.113 119.497 -0.384 1
1 684 . 10 1 1 A 57 57 ALA H H 57 7.735 7.778 -0.043 1
1 685 . 10 1 1 A 57 57 ALA HA H 57 3.911 4.034 -0.123 1
1 689 . 10 1 1 A 57 57 ALA C C 57 178.713 180.358 -1.645 1
1 690 . 10 1 1 A 57 57 ALA CA C 57 55.568 55.010 0.558 1
1 691 . 10 1 1 A 57 57 ALA CB C 57 19.922 18.424 1.498 1
1 692 . 10 1 1 A 57 57 ALA N N 57 122.357 120.957 1.400 1
1 693 . 10 1 1 A 58 58 ILE H H 58 8.257 7.627 0.630 1
1 694 . 10 1 1 A 58 58 ILE HA H 58 3.452 3.624 -0.172 1
1 704 . 10 1 1 A 58 58 ILE C C 58 177.688 177.954 -0.266 1
1 705 . 10 1 1 A 58 58 ILE CA C 58 66.157 65.301 0.856 1
1 706 . 10 1 1 A 58 58 ILE CB C 58 38.306 37.865 0.441 1
1 710 . 10 1 1 A 58 58 ILE N N 58 117.279 119.386 -2.107 1
1 711 . 10 1 1 A 59 59 GLN H H 59 7.752 8.416 -0.664 1
1 712 . 10 1 1 A 59 59 GLN HA H 59 3.916 4.102 -0.186 1
1 719 . 10 1 1 A 59 59 GLN C C 59 178.976 178.865 0.111 1
1 720 . 10 1 1 A 59 59 GLN CA C 59 59.112 58.730 0.382 1
1 721 . 10 1 1 A 59 59 GLN CB C 59 28.189 28.282 -0.093 1
1 724 . 10 1 1 A 59 59 GLN N N 59 117.533 119.068 -1.535 1
1 18 . 11 1 1 A 2 2 VAL H H 2 8.475 8.003 0.472 1
1 19 . 11 1 1 A 2 2 VAL HA H 2 4.528 3.908 0.620 1
1 27 . 11 1 1 A 2 2 VAL C C 2 181.462 178.150 3.312 1
1 28 . 11 1 1 A 2 2 VAL CA C 2 65.162 66.644 -1.482 1
1 29 . 11 1 1 A 2 2 VAL CB C 2 31.895 31.604 0.291 1
1 32 . 11 1 1 A 2 2 VAL N N 2 121.849 117.123 4.726 1
1 33 . 11 1 1 A 3 3 ALA H H 3 8.256 8.507 -0.251 1
1 34 . 11 1 1 A 3 3 ALA HA H 3 4.173 4.189 -0.016 1
1 38 . 11 1 1 A 3 3 ALA C C 3 179.402 179.675 -0.273 1
1 39 . 11 1 1 A 3 3 ALA CA C 3 54.725 55.007 -0.282 1
1 40 . 11 1 1 A 3 3 ALA CB C 3 17.784 18.182 -0.398 1
1 41 . 11 1 1 A 3 3 ALA N N 3 124.615 121.435 3.180 1
1 42 . 11 1 1 A 4 4 TYR H H 4 7.717 8.213 -0.496 1
1 43 . 11 1 1 A 4 4 TYR HA H 4 4.465 4.351 0.114 1
1 48 . 11 1 1 A 4 4 TYR C C 4 177.710 176.677 1.033 1
1 49 . 11 1 1 A 4 4 TYR CA C 4 58.648 60.572 -1.924 1
1 50 . 11 1 1 A 4 4 TYR CB C 4 38.838 38.780 0.058 1
1 53 . 11 1 1 A 4 4 TYR N N 4 117.777 116.329 1.448 1
1 54 . 11 1 1 A 5 5 GLY H H 5 7.942 8.034 -0.092 1
1 55 . 11 1 1 A 5 5 GLY HA2 H 5 4.373 4.173 0.200 1
1 56 . 11 1 1 A 5 5 GLY HA3 H 5 3.699 4.184 -0.485 1
1 57 . 11 1 1 A 5 5 GLY C C 5 174.273 173.779 0.494 1
1 58 . 11 1 1 A 5 5 GLY CA C 5 45.019 45.239 -0.220 1
1 59 . 11 1 1 A 5 5 GLY N N 5 105.556 104.616 0.940 1
1 60 . 11 1 1 A 6 6 ILE H H 6 7.844 7.602 0.242 1
1 61 . 11 1 1 A 6 6 ILE HA H 6 4.135 4.683 -0.548 1
1 71 . 11 1 1 A 6 6 ILE C C 6 174.476 174.997 -0.521 1
1 72 . 11 1 1 A 6 6 ILE CA C 6 59.997 59.288 0.709 1
1 73 . 11 1 1 A 6 6 ILE CB C 6 37.498 41.534 -4.036 1
1 77 . 11 1 1 A 6 6 ILE N N 6 123.172 120.528 2.644 1
1 78 . 11 1 1 A 7 7 ALA H H 7 8.361 8.645 -0.284 1
1 79 . 11 1 1 A 7 7 ALA HA H 7 4.205 4.307 -0.102 1
1 83 . 11 1 1 A 7 7 ALA C C 7 178.710 177.954 0.756 1
1 84 . 11 1 1 A 7 7 ALA CA C 7 52.736 52.520 0.216 1
1 85 . 11 1 1 A 7 7 ALA CB C 7 19.343 19.508 -0.165 1
1 86 . 11 1 1 A 7 7 ALA N N 7 128.201 129.075 -0.874 1
1 87 . 11 1 1 A 8 8 GLN H H 8 8.929 8.848 0.081 1
1 88 . 11 1 1 A 8 8 GLN HA H 8 3.670 3.982 -0.312 1
1 95 . 11 1 1 A 8 8 GLN C C 8 177.362 178.359 -0.997 1
1 96 . 11 1 1 A 8 8 GLN CA C 8 60.337 59.069 1.268 1
1 97 . 11 1 1 A 8 8 GLN CB C 8 28.290 28.407 -0.117 1
1 100 . 11 1 1 A 8 8 GLN N N 8 121.784 121.167 0.617 1
1 102 . 11 1 1 A 9 9 GLY H H 9 9.034 8.171 0.863 1
1 103 . 11 1 1 A 9 9 GLY HA2 H 9 3.891 3.621 0.270 1
1 104 . 11 1 1 A 9 9 GLY C C 9 177.273 176.203 1.070 1
1 105 . 11 1 1 A 9 9 GLY CA C 9 47.126 47.324 -0.198 1
1 106 . 11 1 1 A 9 9 GLY N N 9 105.262 107.170 -1.908 1
1 107 . 11 1 1 A 10 10 THR H H 10 7.254 8.045 -0.791 1
1 108 . 11 1 1 A 10 10 THR HA H 10 4.010 4.082 -0.072 1
1 113 . 11 1 1 A 10 10 THR C C 10 175.476 176.091 -0.615 1
1 114 . 11 1 1 A 10 10 THR CA C 10 65.939 65.329 0.610 1
1 115 . 11 1 1 A 10 10 THR CB C 10 68.252 68.528 -0.276 1
1 117 . 11 1 1 A 10 10 THR N N 10 118.993 117.525 1.468 1
1 118 . 11 1 1 A 11 11 ALA H H 11 9.152 7.930 1.222 1
1 119 . 11 1 1 A 11 11 ALA HA H 11 3.759 3.957 -0.198 1
1 123 . 11 1 1 A 11 11 ALA C C 11 178.878 179.893 -1.015 1
1 124 . 11 1 1 A 11 11 ALA CA C 11 55.756 55.435 0.321 1
1 125 . 11 1 1 A 11 11 ALA CB C 11 19.820 18.498 1.322 1
1 126 . 11 1 1 A 11 11 ALA N N 11 126.026 122.899 3.127 1
1 127 . 11 1 1 A 12 12 GLU H H 12 8.442 7.886 0.556 1
1 128 . 11 1 1 A 12 12 GLU HA H 12 3.748 4.076 -0.328 1
1 133 . 11 1 1 A 12 12 GLU C C 12 179.309 179.095 0.214 1
1 134 . 11 1 1 A 12 12 GLU CA C 12 59.899 59.173 0.726 1
1 135 . 11 1 1 A 12 12 GLU CB C 12 29.713 29.314 0.399 1
1 137 . 11 1 1 A 12 12 GLU N N 12 115.831 117.954 -2.123 1
1 138 . 11 1 1 A 13 13 LYS H H 13 7.253 7.720 -0.467 1
1 139 . 11 1 1 A 13 13 LYS HA H 13 4.147 4.134 0.013 1
1 145 . 11 1 1 A 13 13 LYS C C 13 178.842 178.619 0.223 1
1 146 . 11 1 1 A 13 13 LYS CA C 13 59.198 59.195 0.003 1
1 147 . 11 1 1 A 13 13 LYS CB C 13 32.678 31.940 0.738 1
1 150 . 11 1 1 A 13 13 LYS N N 13 119.708 121.646 -1.938 1
1 151 . 11 1 1 A 14 14 VAL H H 14 8.649 8.183 0.466 1
1 152 . 11 1 1 A 14 14 VAL HA H 14 3.368 3.869 -0.501 1
1 160 . 11 1 1 A 14 14 VAL C C 14 177.806 178.304 -0.498 1
1 161 . 11 1 1 A 14 14 VAL CA C 14 67.448 65.757 1.691 1
1 162 . 11 1 1 A 14 14 VAL CB C 14 31.423 31.654 -0.231 1
1 165 . 11 1 1 A 14 14 VAL N N 14 119.012 118.344 0.668 1
1 166 . 11 1 1 A 15 15 VAL H H 15 8.172 8.003 0.169 1
1 167 . 11 1 1 A 15 15 VAL HA H 15 3.418 3.535 -0.117 1
1 175 . 11 1 1 A 15 15 VAL C C 15 177.325 178.332 -1.007 1
1 176 . 11 1 1 A 15 15 VAL CA C 15 67.632 66.532 1.100 1
1 177 . 11 1 1 A 15 15 VAL CB C 15 31.168 31.388 -0.220 1
1 180 . 11 1 1 A 15 15 VAL N N 15 117.226 121.716 -4.490 1
1 181 . 11 1 1 A 16 16 SER H H 16 7.804 7.937 -0.133 1
1 182 . 11 1 1 A 16 16 SER HA H 16 4.232 4.120 0.112 1
1 185 . 11 1 1 A 16 16 SER C C 16 177.563 176.955 0.608 1
1 186 . 11 1 1 A 16 16 SER CA C 16 61.988 61.242 0.746 1
1 187 . 11 1 1 A 16 16 SER CB C 16 62.781 63.074 -0.293 1
1 188 . 11 1 1 A 16 16 SER N N 16 115.358 115.540 -0.182 1
1 189 . 11 1 1 A 17 17 LEU H H 17 8.089 7.814 0.275 1
1 190 . 11 1 1 A 17 17 LEU HA H 17 4.234 4.091 0.143 1
1 200 . 11 1 1 A 17 17 LEU C C 17 179.382 179.682 -0.300 1
1 201 . 11 1 1 A 17 17 LEU CA C 17 57.908 57.706 0.202 1
1 202 . 11 1 1 A 17 17 LEU CB C 17 41.459 41.413 0.046 1
1 206 . 11 1 1 A 17 17 LEU N N 17 121.995 122.414 -0.419 1
1 207 . 11 1 1 A 18 18 ILE H H 18 8.690 8.184 0.506 1
1 208 . 11 1 1 A 18 18 ILE HA H 18 3.799 3.553 0.246 1
1 218 . 11 1 1 A 18 18 ILE C C 18 181.545 177.853 3.692 1
1 219 . 11 1 1 A 18 18 ILE CA C 18 65.849 65.670 0.179 1
1 220 . 11 1 1 A 18 18 ILE CB C 18 37.844 37.922 -0.078 1
1 224 . 11 1 1 A 18 18 ILE N N 18 121.273 120.961 0.312 1
1 225 . 11 1 1 A 19 19 ASN H H 19 8.663 8.052 0.611 1
1 226 . 11 1 1 A 19 19 ASN HA H 19 4.548 4.517 0.031 1
1 231 . 11 1 1 A 19 19 ASN C C 19 176.165 177.203 -1.038 1
1 232 . 11 1 1 A 19 19 ASN CA C 19 55.365 56.138 -0.773 1
1 233 . 11 1 1 A 19 19 ASN CB C 19 38.196 39.210 -1.014 1
1 235 . 11 1 1 A 19 19 ASN N N 19 120.662 118.983 1.679 1
1 237 . 11 1 1 A 20 20 ALA H H 20 7.564 7.511 0.053 1
1 238 . 11 1 1 A 20 20 ALA HA H 20 4.411 4.224 0.187 1
1 242 . 11 1 1 A 20 20 ALA C C 20 175.860 177.934 -2.074 1
1 243 . 11 1 1 A 20 20 ALA CA C 20 52.478 52.501 -0.023 1
1 244 . 11 1 1 A 20 20 ALA CB C 20 18.668 19.537 -0.869 1
1 245 . 11 1 1 A 20 20 ALA N N 20 120.105 119.160 0.945 1
1 246 . 11 1 1 A 21 21 GLY H H 21 7.959 8.828 -0.869 1
1 247 . 11 1 1 A 21 21 GLY HA2 H 21 4.310 3.936 0.374 1
1 248 . 11 1 1 A 21 21 GLY HA3 H 21 3.804 3.943 -0.139 1
1 249 . 11 1 1 A 21 21 GLY C C 21 175.014 174.162 0.852 1
1 250 . 11 1 1 A 21 21 GLY CA C 21 45.286 46.668 -1.382 1
1 251 . 11 1 1 A 21 21 GLY N N 21 105.589 107.365 -1.776 1
1 252 . 11 1 1 A 22 22 LEU H H 22 7.529 7.882 -0.353 1
1 253 . 11 1 1 A 22 22 LEU HA H 22 4.462 4.826 -0.364 1
1 263 . 11 1 1 A 22 22 LEU C C 22 177.271 176.076 1.195 1
1 264 . 11 1 1 A 22 22 LEU CA C 22 56.388 53.071 3.317 1
1 265 . 11 1 1 A 22 22 LEU CB C 22 42.442 46.531 -4.089 1
1 269 . 11 1 1 A 22 22 LEU N N 22 121.608 120.694 0.914 1
1 270 . 11 1 1 A 23 23 THR H H 23 7.976 8.588 -0.612 1
1 271 . 11 1 1 A 23 23 THR HA H 23 4.335 4.636 -0.301 1
1 276 . 11 1 1 A 23 23 THR C C 23 175.978 176.167 -0.189 1
1 277 . 11 1 1 A 23 23 THR CA C 23 60.185 60.681 -0.496 1
1 278 . 11 1 1 A 23 23 THR CB C 23 71.142 70.773 0.369 1
1 280 . 11 1 1 A 23 23 THR N N 23 108.756 113.054 -4.298 1
1 281 . 11 1 1 A 24 24 VAL H H 24 8.201 8.940 -0.739 1
1 282 . 11 1 1 A 24 24 VAL HA H 24 3.337 3.533 -0.196 1
1 290 . 11 1 1 A 24 24 VAL C C 24 176.772 177.851 -1.079 1
1 291 . 11 1 1 A 24 24 VAL CA C 24 66.172 64.907 1.265 1
1 292 . 11 1 1 A 24 24 VAL CB C 24 30.752 31.277 -0.525 1
1 295 . 11 1 1 A 24 24 VAL N N 24 119.897 120.058 -0.161 1
1 296 . 11 1 1 A 25 25 GLY H H 25 8.328 8.241 0.087 1
1 297 . 11 1 1 A 25 25 GLY HA2 H 25 3.830 3.733 0.097 1
1 298 . 11 1 1 A 25 25 GLY HA3 H 25 3.722 3.752 -0.030 1
1 299 . 11 1 1 A 25 25 GLY C C 25 177.352 175.869 1.483 1
1 300 . 11 1 1 A 25 25 GLY CA C 25 46.824 47.400 -0.576 1
1 301 . 11 1 1 A 25 25 GLY N N 25 106.836 110.711 -3.875 1
1 302 . 11 1 1 A 26 26 SER H H 26 7.626 8.084 -0.458 1
1 303 . 11 1 1 A 26 26 SER HA H 26 4.286 4.293 -0.007 1
1 306 . 11 1 1 A 26 26 SER C C 26 176.160 177.246 -1.086 1
1 307 . 11 1 1 A 26 26 SER CA C 26 61.829 60.915 0.914 1
1 308 . 11 1 1 A 26 26 SER CB C 26 63.022 63.011 0.011 1
1 309 . 11 1 1 A 26 26 SER N N 26 118.367 116.587 1.780 1
1 310 . 11 1 1 A 27 27 ILE H H 27 8.072 7.631 0.441 1
1 311 . 11 1 1 A 27 27 ILE HA H 27 3.494 3.479 0.015 1
1 321 . 11 1 1 A 27 27 ILE C C 27 177.364 177.988 -0.624 1
1 322 . 11 1 1 A 27 27 ILE CA C 27 66.333 64.965 1.368 1
1 323 . 11 1 1 A 27 27 ILE CB C 27 38.065 37.648 0.417 1
1 327 . 11 1 1 A 27 27 ILE N N 27 122.663 121.800 0.863 1
1 328 . 11 1 1 A 28 28 ILE H H 28 8.317 7.656 0.661 1
1 329 . 11 1 1 A 28 28 ILE HA H 28 3.790 3.669 0.121 1
1 339 . 11 1 1 A 28 28 ILE C C 28 179.278 178.061 1.217 1
1 340 . 11 1 1 A 28 28 ILE CA C 28 65.107 65.073 0.034 1
1 341 . 11 1 1 A 28 28 ILE CB C 28 38.185 37.339 0.846 1
1 345 . 11 1 1 A 28 28 ILE N N 28 119.722 119.879 -0.157 1
1 346 . 11 1 1 A 29 29 SER H H 29 7.703 7.540 0.163 1
1 347 . 11 1 1 A 29 29 SER HA H 29 4.185 4.019 0.166 1
1 349 . 11 1 1 A 29 29 SER C C 29 176.198 176.131 0.067 1
1 350 . 11 1 1 A 29 29 SER CA C 29 61.588 62.395 -0.807 1
1 351 . 11 1 1 A 29 29 SER CB C 29 63.021 62.806 0.215 1
1 352 . 11 1 1 A 29 29 SER N N 29 114.967 116.172 -1.205 1
1 353 . 11 1 1 A 30 30 ILE H H 30 7.798 7.340 0.458 1
1 354 . 11 1 1 A 30 30 ILE HA H 30 3.884 3.782 0.102 1
1 364 . 11 1 1 A 30 30 ILE C C 30 177.721 178.459 -0.738 1
1 365 . 11 1 1 A 30 30 ILE CA C 30 64.231 64.279 -0.048 1
1 366 . 11 1 1 A 30 30 ILE CB C 30 39.382 37.876 1.506 1
1 370 . 11 1 1 A 30 30 ILE N N 30 120.517 120.929 -0.412 1
1 371 . 11 1 1 A 31 31 LEU H H 31 8.279 7.602 0.677 1
1 372 . 11 1 1 A 31 31 LEU HA H 31 4.362 4.008 0.354 1
1 382 . 11 1 1 A 31 31 LEU C C 31 178.475 177.567 0.908 1
1 383 . 11 1 1 A 31 31 LEU CA C 31 55.587 57.242 -1.655 1
1 384 . 11 1 1 A 31 31 LEU CB C 31 39.699 42.202 -2.503 1
1 388 . 11 1 1 A 31 31 LEU N N 31 117.941 120.569 -2.628 1
1 389 . 11 1 1 A 32 32 GLY H H 32 8.219 8.827 -0.608 1
1 390 . 11 1 1 A 32 32 GLY HA2 H 32 4.123 3.892 0.231 1
1 391 . 11 1 1 A 32 32 GLY HA3 H 32 3.878 3.896 -0.018 1
1 392 . 11 1 1 A 32 32 GLY C C 32 175.512 174.456 1.056 1
1 393 . 11 1 1 A 32 32 GLY CA C 32 45.604 46.774 -1.170 1
1 394 . 11 1 1 A 32 32 GLY N N 32 107.591 107.143 0.448 1
1 395 . 11 1 1 A 33 33 GLY H H 33 8.667 7.823 0.844 1
1 396 . 11 1 1 A 33 33 GLY HA2 H 33 4.062 4.098 -0.036 1
1 397 . 11 1 1 A 33 33 GLY HA3 H 33 3.879 4.100 -0.221 1
1 398 . 11 1 1 A 33 33 GLY C C 33 175.510 172.580 2.930 1
1 399 . 11 1 1 A 33 33 GLY CA C 33 46.603 45.038 1.565 1
1 400 . 11 1 1 A 33 33 GLY N N 33 109.700 106.269 3.431 1
1 401 . 11 1 1 A 34 34 VAL H H 34 8.049 8.821 -0.772 1
1 402 . 11 1 1 A 34 34 VAL HA H 34 4.309 4.161 0.148 1
1 410 . 11 1 1 A 34 34 VAL C C 34 176.726 176.524 0.202 1
1 411 . 11 1 1 A 34 34 VAL CA C 34 62.780 61.600 1.180 1
1 412 . 11 1 1 A 34 34 VAL CB C 34 32.022 29.001 3.021 1
1 415 . 11 1 1 A 34 34 VAL N N 34 117.737 119.879 -2.142 1
1 416 . 11 1 1 A 35 35 THR H H 35 8.141 7.877 0.264 1
1 417 . 11 1 1 A 35 35 THR HA H 35 4.239 4.387 -0.148 1
1 422 . 11 1 1 A 35 35 THR C C 35 174.905 174.712 0.193 1
1 423 . 11 1 1 A 35 35 THR CA C 35 62.571 62.322 0.249 1
1 424 . 11 1 1 A 35 35 THR CB C 35 69.247 69.380 -0.133 1
1 426 . 11 1 1 A 35 35 THR N N 35 111.884 114.834 -2.950 1
1 427 . 11 1 1 A 36 36 VAL H H 36 7.560 7.442 0.118 1
1 428 . 11 1 1 A 36 36 VAL HA H 36 3.940 3.805 0.135 1
1 436 . 11 1 1 A 36 36 VAL C C 36 177.003 176.927 0.076 1
1 437 . 11 1 1 A 36 36 VAL CA C 36 64.440 64.429 0.011 1
1 438 . 11 1 1 A 36 36 VAL CB C 36 31.926 30.918 1.008 1
1 441 . 11 1 1 A 36 36 VAL N N 36 120.063 124.449 -4.386 1
1 442 . 11 1 1 A 37 37 GLY H H 37 8.427 8.536 -0.109 1
1 443 . 11 1 1 A 37 37 GLY HA2 H 37 4.143 3.947 0.196 1
1 444 . 11 1 1 A 37 37 GLY HA3 H 37 4.077 3.947 0.130 1
1 445 . 11 1 1 A 37 37 GLY C C 37 176.084 176.270 -0.186 1
1 446 . 11 1 1 A 37 37 GLY CA C 37 45.593 45.433 0.160 1
1 447 . 11 1 1 A 37 37 GLY N N 37 110.570 115.682 -5.112 1
1 448 . 11 1 1 A 38 38 LEU H H 38 8.157 7.918 0.239 1
1 449 . 11 1 1 A 38 38 LEU HA H 38 4.094 4.144 -0.050 1
1 458 . 11 1 1 A 38 38 LEU C C 38 177.948 179.245 -1.297 1
1 459 . 11 1 1 A 38 38 LEU CA C 38 56.472 56.961 -0.489 1
1 460 . 11 1 1 A 38 38 LEU CB C 38 42.644 41.641 1.003 1
1 464 . 11 1 1 A 38 38 LEU N N 38 121.095 122.989 -1.894 1
1 465 . 11 1 1 A 39 39 SER H H 39 8.417 8.134 0.283 1
1 466 . 11 1 1 A 39 39 SER HA H 39 3.921 4.285 -0.364 1
1 469 . 11 1 1 A 39 39 SER C C 39 176.742 177.182 -0.440 1
1 470 . 11 1 1 A 39 39 SER CA C 39 62.250 62.776 -0.526 1
1 471 . 11 1 1 A 39 39 SER CB C 39 62.228 62.737 -0.509 1
1 472 . 11 1 1 A 39 39 SER N N 39 113.122 115.673 -2.551 1
1 473 . 11 1 1 A 40 40 GLY H H 40 8.169 8.488 -0.319 1
1 474 . 11 1 1 A 40 40 GLY HA2 H 40 4.108 3.850 0.258 1
1 475 . 11 1 1 A 40 40 GLY HA3 H 40 3.990 3.852 0.138 1
1 476 . 11 1 1 A 40 40 GLY C C 40 175.225 175.828 -0.603 1
1 477 . 11 1 1 A 40 40 GLY CA C 40 46.354 47.153 -0.799 1
1 478 . 11 1 1 A 40 40 GLY N N 40 107.856 108.645 -0.789 1
1 479 . 11 1 1 A 41 41 VAL H H 41 7.321 7.964 -0.643 1
1 480 . 11 1 1 A 41 41 VAL HA H 41 4.482 4.106 0.376 1
1 488 . 11 1 1 A 41 41 VAL C C 41 176.112 177.768 -1.656 1
1 489 . 11 1 1 A 41 41 VAL CA C 41 61.490 64.893 -3.403 1
1 490 . 11 1 1 A 41 41 VAL CB C 41 33.211 31.982 1.229 1
1 493 . 11 1 1 A 41 41 VAL N N 41 114.922 119.211 -4.289 1
1 494 . 11 1 1 A 42 42 PHE H H 42 7.832 8.575 -0.743 1
1 495 . 11 1 1 A 42 42 PHE HA H 42 3.890 4.046 -0.156 1
1 501 . 11 1 1 A 42 42 PHE C C 42 176.656 177.136 -0.480 1
1 502 . 11 1 1 A 42 42 PHE CA C 42 62.384 61.667 0.717 1
1 503 . 11 1 1 A 42 42 PHE CB C 42 39.677 39.297 0.380 1
1 507 . 11 1 1 A 42 42 PHE N N 42 122.726 124.436 -1.710 1
1 508 . 11 1 1 A 43 43 THR H H 43 8.606 7.912 0.694 1
1 509 . 11 1 1 A 43 43 THR HA H 43 3.771 3.955 -0.184 1
1 514 . 11 1 1 A 43 43 THR C C 43 176.755 177.429 -0.674 1
1 515 . 11 1 1 A 43 43 THR CA C 43 66.787 65.772 1.015 1
1 516 . 11 1 1 A 43 43 THR CB C 43 68.302 69.017 -0.715 1
1 518 . 11 1 1 A 43 43 THR N N 43 113.613 113.655 -0.042 1
1 519 . 11 1 1 A 44 44 ALA H H 44 7.860 7.886 -0.026 1
1 520 . 11 1 1 A 44 44 ALA HA H 44 4.203 4.084 0.119 1
1 524 . 11 1 1 A 44 44 ALA C C 44 181.044 180.387 0.657 1
1 525 . 11 1 1 A 44 44 ALA CA C 44 54.896 55.152 -0.256 1
1 526 . 11 1 1 A 44 44 ALA CB C 44 17.985 18.273 -0.288 1
1 527 . 11 1 1 A 44 44 ALA N N 44 125.406 123.613 1.793 1
1 528 . 11 1 1 A 45 45 VAL H H 45 8.391 7.731 0.660 1
1 529 . 11 1 1 A 45 45 VAL HA H 45 3.565 3.274 0.291 1
1 537 . 11 1 1 A 45 45 VAL C C 45 177.079 177.620 -0.541 1
1 538 . 11 1 1 A 45 45 VAL CA C 45 66.523 66.825 -0.302 1
1 539 . 11 1 1 A 45 45 VAL CB C 45 31.323 31.286 0.037 1
1 542 . 11 1 1 A 45 45 VAL N N 45 120.467 118.016 2.451 1
1 543 . 11 1 1 A 46 46 LYS H H 46 8.270 7.751 0.519 1
1 544 . 11 1 1 A 46 46 LYS HA H 46 3.699 3.807 -0.108 1
1 550 . 11 1 1 A 46 46 LYS C C 46 179.171 178.497 0.674 1
1 551 . 11 1 1 A 46 46 LYS CA C 46 60.606 58.955 1.651 1
1 552 . 11 1 1 A 46 46 LYS CB C 46 32.057 32.455 -0.398 1
1 556 . 11 1 1 A 46 46 LYS N N 46 120.461 120.156 0.305 1
1 557 . 11 1 1 A 47 47 ALA H H 47 7.854 7.714 0.140 1
1 558 . 11 1 1 A 47 47 ALA HA H 47 4.192 4.051 0.141 1
1 562 . 11 1 1 A 47 47 ALA C C 47 179.565 179.866 -0.301 1
1 563 . 11 1 1 A 47 47 ALA CA C 47 54.782 54.850 -0.068 1
1 564 . 11 1 1 A 47 47 ALA CB C 47 18.004 18.279 -0.275 1
1 565 . 11 1 1 A 47 47 ALA N N 47 120.799 120.830 -0.031 1
1 566 . 11 1 1 A 48 48 ALA H H 48 7.931 7.432 0.499 1
1 567 . 11 1 1 A 48 48 ALA HA H 48 4.232 4.090 0.142 1
1 571 . 11 1 1 A 48 48 ALA C C 48 180.197 179.798 0.399 1
1 572 . 11 1 1 A 48 48 ALA CA C 48 55.028 54.982 0.046 1
1 573 . 11 1 1 A 48 48 ALA CB C 48 17.968 18.498 -0.530 1
1 574 . 11 1 1 A 48 48 ALA N N 48 120.585 120.115 0.470 1
1 575 . 11 1 1 A 49 49 ILE H H 49 8.270 7.916 0.354 1
1 576 . 11 1 1 A 49 49 ILE HA H 49 3.190 3.488 -0.298 1
1 586 . 11 1 1 A 49 49 ILE C C 49 177.762 177.943 -0.181 1
1 587 . 11 1 1 A 49 49 ILE CA C 49 66.396 65.489 0.907 1
1 588 . 11 1 1 A 49 49 ILE CB C 49 38.698 37.629 1.069 1
1 592 . 11 1 1 A 49 49 ILE N N 49 118.535 119.889 -1.354 1
1 593 . 11 1 1 A 50 50 ALA H H 50 7.198 8.360 -1.162 1
1 594 . 11 1 1 A 50 50 ALA HA H 50 4.154 4.002 0.152 1
1 598 . 11 1 1 A 50 50 ALA C C 50 179.323 179.380 -0.057 1
1 599 . 11 1 1 A 50 50 ALA CA C 50 54.684 54.711 -0.027 1
1 600 . 11 1 1 A 50 50 ALA CB C 50 18.877 18.168 0.709 1
1 601 . 11 1 1 A 50 50 ALA N N 50 118.853 121.507 -2.654 1
1 602 . 11 1 1 A 51 51 LYS H H 51 8.047 7.538 0.509 1
1 603 . 11 1 1 A 51 51 LYS HA H 51 4.372 4.044 0.328 1
1 609 . 11 1 1 A 51 51 LYS C C 51 177.694 177.877 -0.183 1
1 610 . 11 1 1 A 51 51 LYS CA C 51 57.678 59.285 -1.607 1
1 611 . 11 1 1 A 51 51 LYS CB C 51 34.279 32.871 1.408 1
1 615 . 11 1 1 A 51 51 LYS N N 51 114.606 118.144 -3.538 1
1 616 . 11 1 1 A 52 52 GLN H H 52 8.707 8.483 0.224 1
1 617 . 11 1 1 A 52 52 GLN HA H 52 4.592 4.442 0.150 1
1 624 . 11 1 1 A 52 52 GLN C C 52 176.792 175.900 0.892 1
1 625 . 11 1 1 A 52 52 GLN CA C 52 56.454 56.940 -0.486 1
1 626 . 11 1 1 A 52 52 GLN CB C 52 31.792 31.098 0.694 1
1 629 . 11 1 1 A 52 52 GLN N N 52 115.942 116.377 -0.435 1
1 631 . 11 1 1 A 53 53 GLY H H 53 8.045 7.311 0.734 1
1 632 . 11 1 1 A 53 53 GLY HA2 H 53 4.568 4.051 0.517 1
1 633 . 11 1 1 A 53 53 GLY HA3 H 53 4.066 4.053 0.013 1
1 634 . 11 1 1 A 53 53 GLY C C 53 173.741 174.554 -0.813 1
1 635 . 11 1 1 A 53 53 GLY CA C 53 44.553 45.839 -1.286 1
1 636 . 11 1 1 A 53 53 GLY N N 53 110.313 103.229 7.084 1
1 637 . 11 1 1 A 54 54 ILE H H 54 8.281 8.673 -0.392 1
1 638 . 11 1 1 A 54 54 ILE HA H 54 3.583 3.707 -0.124 1
1 648 . 11 1 1 A 54 54 ILE C C 54 177.313 177.924 -0.611 1
1 649 . 11 1 1 A 54 54 ILE CA C 54 65.253 64.213 1.040 1
1 650 . 11 1 1 A 54 54 ILE CB C 54 38.489 37.659 0.830 1
1 654 . 11 1 1 A 54 54 ILE N N 54 117.579 119.384 -1.805 1
1 655 . 11 1 1 A 55 55 LYS H H 55 8.334 8.282 0.052 1
1 656 . 11 1 1 A 55 55 LYS HA H 55 3.955 4.051 -0.096 1
1 663 . 11 1 1 A 55 55 LYS C C 55 180.026 178.621 1.405 1
1 664 . 11 1 1 A 55 55 LYS CA C 55 60.343 59.132 1.211 1
1 665 . 11 1 1 A 55 55 LYS CB C 55 31.693 32.313 -0.620 1
1 669 . 11 1 1 A 55 55 LYS N N 55 119.039 122.709 -3.670 1
1 670 . 11 1 1 A 56 56 LYS H H 56 7.987 7.846 0.141 1
1 671 . 11 1 1 A 56 56 LYS HA H 56 4.130 4.026 0.104 1
1 677 . 11 1 1 A 56 56 LYS C C 56 178.612 179.331 -0.719 1
1 678 . 11 1 1 A 56 56 LYS CA C 56 57.715 59.167 -1.452 1
1 679 . 11 1 1 A 56 56 LYS CB C 56 31.714 32.161 -0.447 1
1 683 . 11 1 1 A 56 56 LYS N N 56 119.113 119.981 -0.868 1
1 684 . 11 1 1 A 57 57 ALA H H 57 7.735 7.858 -0.123 1
1 685 . 11 1 1 A 57 57 ALA HA H 57 3.911 3.934 -0.023 1
1 689 . 11 1 1 A 57 57 ALA C C 57 178.713 180.314 -1.601 1
1 690 . 11 1 1 A 57 57 ALA CA C 57 55.568 54.908 0.660 1
1 691 . 11 1 1 A 57 57 ALA CB C 57 19.922 18.360 1.562 1
1 692 . 11 1 1 A 57 57 ALA N N 57 122.357 121.606 0.751 1
1 693 . 11 1 1 A 58 58 ILE H H 58 8.257 7.597 0.660 1
1 694 . 11 1 1 A 58 58 ILE HA H 58 3.452 3.573 -0.121 1
1 704 . 11 1 1 A 58 58 ILE C C 58 177.688 177.870 -0.182 1
1 705 . 11 1 1 A 58 58 ILE CA C 58 66.157 65.324 0.833 1
1 706 . 11 1 1 A 58 58 ILE CB C 58 38.306 37.865 0.441 1
1 710 . 11 1 1 A 58 58 ILE N N 58 117.279 119.202 -1.923 1
1 711 . 11 1 1 A 59 59 GLN H H 59 7.752 8.241 -0.489 1
1 712 . 11 1 1 A 59 59 GLN HA H 59 3.916 4.102 -0.186 1
1 719 . 11 1 1 A 59 59 GLN C C 59 178.976 178.754 0.222 1
1 720 . 11 1 1 A 59 59 GLN CA C 59 59.112 58.556 0.556 1
1 721 . 11 1 1 A 59 59 GLN CB C 59 28.189 28.157 0.032 1
1 724 . 11 1 1 A 59 59 GLN N N 59 117.533 118.586 -1.053 1
1 18 . 12 1 1 A 2 2 VAL H H 2 8.475 8.248 0.227 1
1 19 . 12 1 1 A 2 2 VAL HA H 2 4.528 3.893 0.635 1
1 27 . 12 1 1 A 2 2 VAL C C 2 181.462 178.040 3.422 1
1 28 . 12 1 1 A 2 2 VAL CA C 2 65.162 66.569 -1.407 1
1 29 . 12 1 1 A 2 2 VAL CB C 2 31.895 31.600 0.295 1
1 32 . 12 1 1 A 2 2 VAL N N 2 121.849 117.132 4.717 1
1 33 . 12 1 1 A 3 3 ALA H H 3 8.256 8.474 -0.218 1
1 34 . 12 1 1 A 3 3 ALA HA H 3 4.173 4.108 0.065 1
1 38 . 12 1 1 A 3 3 ALA C C 3 179.402 179.489 -0.087 1
1 39 . 12 1 1 A 3 3 ALA CA C 3 54.725 54.899 -0.174 1
1 40 . 12 1 1 A 3 3 ALA CB C 3 17.784 17.952 -0.168 1
1 41 . 12 1 1 A 3 3 ALA N N 3 124.615 121.577 3.038 1
1 42 . 12 1 1 A 4 4 TYR H H 4 7.717 8.139 -0.422 1
1 43 . 12 1 1 A 4 4 TYR HA H 4 4.465 4.266 0.199 1
1 48 . 12 1 1 A 4 4 TYR C C 4 177.710 176.144 1.566 1
1 49 . 12 1 1 A 4 4 TYR CA C 4 58.648 60.666 -2.018 1
1 50 . 12 1 1 A 4 4 TYR CB C 4 38.838 38.730 0.108 1
1 53 . 12 1 1 A 4 4 TYR N N 4 117.777 116.680 1.097 1
1 54 . 12 1 1 A 5 5 GLY H H 5 7.942 7.996 -0.054 1
1 55 . 12 1 1 A 5 5 GLY HA2 H 5 4.373 4.103 0.270 1
1 56 . 12 1 1 A 5 5 GLY HA3 H 5 3.699 4.118 -0.419 1
1 57 . 12 1 1 A 5 5 GLY C C 5 174.273 174.853 -0.580 1
1 58 . 12 1 1 A 5 5 GLY CA C 5 45.019 45.487 -0.468 1
1 59 . 12 1 1 A 5 5 GLY N N 5 105.556 106.096 -0.540 1
1 60 . 12 1 1 A 6 6 ILE H H 6 7.844 7.639 0.205 1
1 61 . 12 1 1 A 6 6 ILE HA H 6 4.135 4.103 0.032 1
1 71 . 12 1 1 A 6 6 ILE C C 6 174.476 176.383 -1.907 1
1 72 . 12 1 1 A 6 6 ILE CA C 6 59.997 61.259 -1.262 1
1 73 . 12 1 1 A 6 6 ILE CB C 6 37.498 38.185 -0.687 1
1 77 . 12 1 1 A 6 6 ILE N N 6 123.172 122.154 1.018 1
1 78 . 12 1 1 A 7 7 ALA H H 7 8.361 8.711 -0.350 1
1 79 . 12 1 1 A 7 7 ALA HA H 7 4.205 4.254 -0.049 1
1 83 . 12 1 1 A 7 7 ALA C C 7 178.710 178.262 0.448 1
1 84 . 12 1 1 A 7 7 ALA CA C 7 52.736 52.656 0.080 1
1 85 . 12 1 1 A 7 7 ALA CB C 7 19.343 19.414 -0.071 1
1 86 . 12 1 1 A 7 7 ALA N N 7 128.201 129.134 -0.933 1
1 87 . 12 1 1 A 8 8 GLN H H 8 8.929 8.796 0.133 1
1 88 . 12 1 1 A 8 8 GLN HA H 8 3.670 3.977 -0.307 1
1 95 . 12 1 1 A 8 8 GLN C C 8 177.362 178.553 -1.191 1
1 96 . 12 1 1 A 8 8 GLN CA C 8 60.337 59.120 1.217 1
1 97 . 12 1 1 A 8 8 GLN CB C 8 28.290 28.097 0.193 1
1 100 . 12 1 1 A 8 8 GLN N N 8 121.784 122.714 -0.930 1
1 102 . 12 1 1 A 9 9 GLY H H 9 9.034 8.339 0.695 1
1 103 . 12 1 1 A 9 9 GLY HA2 H 9 3.891 3.780 0.111 1
1 104 . 12 1 1 A 9 9 GLY C C 9 177.273 176.371 0.902 1
1 105 . 12 1 1 A 9 9 GLY CA C 9 47.126 47.381 -0.255 1
1 106 . 12 1 1 A 9 9 GLY N N 9 105.262 107.652 -2.390 1
1 107 . 12 1 1 A 10 10 THR H H 10 7.254 8.161 -0.907 1
1 108 . 12 1 1 A 10 10 THR HA H 10 4.010 4.096 -0.086 1
1 113 . 12 1 1 A 10 10 THR C C 10 175.476 176.409 -0.933 1
1 114 . 12 1 1 A 10 10 THR CA C 10 65.939 65.451 0.488 1
1 115 . 12 1 1 A 10 10 THR CB C 10 68.252 68.767 -0.515 1
1 117 . 12 1 1 A 10 10 THR N N 10 118.993 116.654 2.339 1
1 118 . 12 1 1 A 11 11 ALA H H 11 9.152 8.097 1.055 1
1 119 . 12 1 1 A 11 11 ALA HA H 11 3.759 3.936 -0.177 1
1 123 . 12 1 1 A 11 11 ALA C C 11 178.878 180.025 -1.147 1
1 124 . 12 1 1 A 11 11 ALA CA C 11 55.756 55.480 0.276 1
1 125 . 12 1 1 A 11 11 ALA CB C 11 19.820 18.476 1.344 1
1 126 . 12 1 1 A 11 11 ALA N N 11 126.026 122.898 3.128 1
1 127 . 12 1 1 A 12 12 GLU H H 12 8.442 7.559 0.883 1
1 128 . 12 1 1 A 12 12 GLU HA H 12 3.748 4.080 -0.332 1
1 133 . 12 1 1 A 12 12 GLU C C 12 179.309 179.167 0.142 1
1 134 . 12 1 1 A 12 12 GLU CA C 12 59.899 58.557 1.342 1
1 135 . 12 1 1 A 12 12 GLU CB C 12 29.713 29.407 0.306 1
1 137 . 12 1 1 A 12 12 GLU N N 12 115.831 118.748 -2.917 1
1 138 . 12 1 1 A 13 13 LYS H H 13 7.253 7.650 -0.397 1
1 139 . 12 1 1 A 13 13 LYS HA H 13 4.147 4.072 0.075 1
1 145 . 12 1 1 A 13 13 LYS C C 13 178.842 179.386 -0.544 1
1 146 . 12 1 1 A 13 13 LYS CA C 13 59.198 59.397 -0.199 1
1 147 . 12 1 1 A 13 13 LYS CB C 13 32.678 32.575 0.103 1
1 150 . 12 1 1 A 13 13 LYS N N 13 119.708 119.796 -0.088 1
1 151 . 12 1 1 A 14 14 VAL H H 14 8.649 8.207 0.442 1
1 152 . 12 1 1 A 14 14 VAL HA H 14 3.368 3.883 -0.515 1
1 160 . 12 1 1 A 14 14 VAL C C 14 177.806 178.165 -0.359 1
1 161 . 12 1 1 A 14 14 VAL CA C 14 67.448 65.765 1.683 1
1 162 . 12 1 1 A 14 14 VAL CB C 14 31.423 31.591 -0.168 1
1 165 . 12 1 1 A 14 14 VAL N N 14 119.012 115.967 3.045 1
1 166 . 12 1 1 A 15 15 VAL H H 15 8.172 7.944 0.228 1
1 167 . 12 1 1 A 15 15 VAL HA H 15 3.418 3.519 -0.101 1
1 175 . 12 1 1 A 15 15 VAL C C 15 177.325 178.404 -1.079 1
1 176 . 12 1 1 A 15 15 VAL CA C 15 67.632 66.941 0.691 1
1 177 . 12 1 1 A 15 15 VAL CB C 15 31.168 31.639 -0.471 1
1 180 . 12 1 1 A 15 15 VAL N N 15 117.226 121.487 -4.261 1
1 181 . 12 1 1 A 16 16 SER H H 16 7.804 7.985 -0.181 1
1 182 . 12 1 1 A 16 16 SER HA H 16 4.232 4.132 0.100 1
1 185 . 12 1 1 A 16 16 SER C C 16 177.563 176.939 0.624 1
1 186 . 12 1 1 A 16 16 SER CA C 16 61.988 61.213 0.775 1
1 187 . 12 1 1 A 16 16 SER CB C 16 62.781 63.106 -0.325 1
1 188 . 12 1 1 A 16 16 SER N N 16 115.358 115.373 -0.015 1
1 189 . 12 1 1 A 17 17 LEU H H 17 8.089 8.032 0.057 1
1 190 . 12 1 1 A 17 17 LEU HA H 17 4.234 4.094 0.140 1
1 200 . 12 1 1 A 17 17 LEU C C 17 179.382 179.646 -0.264 1
1 201 . 12 1 1 A 17 17 LEU CA C 17 57.908 57.761 0.147 1
1 202 . 12 1 1 A 17 17 LEU CB C 17 41.459 41.443 0.016 1
1 206 . 12 1 1 A 17 17 LEU N N 17 121.995 122.467 -0.472 1
1 207 . 12 1 1 A 18 18 ILE H H 18 8.690 8.216 0.474 1
1 208 . 12 1 1 A 18 18 ILE HA H 18 3.799 3.526 0.273 1
1 218 . 12 1 1 A 18 18 ILE C C 18 181.545 177.881 3.664 1
1 219 . 12 1 1 A 18 18 ILE CA C 18 65.849 65.756 0.093 1
1 220 . 12 1 1 A 18 18 ILE CB C 18 37.844 38.194 -0.350 1
1 224 . 12 1 1 A 18 18 ILE N N 18 121.273 121.083 0.190 1
1 225 . 12 1 1 A 19 19 ASN H H 19 8.663 8.092 0.571 1
1 226 . 12 1 1 A 19 19 ASN HA H 19 4.548 4.517 0.031 1
1 231 . 12 1 1 A 19 19 ASN C C 19 176.165 177.098 -0.933 1
1 232 . 12 1 1 A 19 19 ASN CA C 19 55.365 56.127 -0.762 1
1 233 . 12 1 1 A 19 19 ASN CB C 19 38.196 39.203 -1.007 1
1 235 . 12 1 1 A 19 19 ASN N N 19 120.662 118.866 1.796 1
1 237 . 12 1 1 A 20 20 ALA H H 20 7.564 7.537 0.027 1
1 238 . 12 1 1 A 20 20 ALA HA H 20 4.411 4.245 0.166 1
1 242 . 12 1 1 A 20 20 ALA C C 20 175.860 178.029 -2.169 1
1 243 . 12 1 1 A 20 20 ALA CA C 20 52.478 52.490 -0.012 1
1 244 . 12 1 1 A 20 20 ALA CB C 20 18.668 19.512 -0.844 1
1 245 . 12 1 1 A 20 20 ALA N N 20 120.105 119.122 0.983 1
1 246 . 12 1 1 A 21 21 GLY H H 21 7.959 8.894 -0.935 1
1 247 . 12 1 1 A 21 21 GLY HA2 H 21 4.310 3.956 0.354 1
1 248 . 12 1 1 A 21 21 GLY HA3 H 21 3.804 3.963 -0.159 1
1 249 . 12 1 1 A 21 21 GLY C C 21 175.014 174.118 0.896 1
1 250 . 12 1 1 A 21 21 GLY CA C 21 45.286 46.577 -1.291 1
1 251 . 12 1 1 A 21 21 GLY N N 21 105.589 107.438 -1.849 1
1 252 . 12 1 1 A 22 22 LEU H H 22 7.529 7.817 -0.288 1
1 253 . 12 1 1 A 22 22 LEU HA H 22 4.462 4.836 -0.374 1
1 263 . 12 1 1 A 22 22 LEU C C 22 177.271 176.029 1.242 1
1 264 . 12 1 1 A 22 22 LEU CA C 22 56.388 53.293 3.095 1
1 265 . 12 1 1 A 22 22 LEU CB C 22 42.442 46.317 -3.875 1
1 269 . 12 1 1 A 22 22 LEU N N 22 121.608 120.210 1.398 1
1 270 . 12 1 1 A 23 23 THR H H 23 7.976 8.545 -0.569 1
1 271 . 12 1 1 A 23 23 THR HA H 23 4.335 4.617 -0.282 1
1 276 . 12 1 1 A 23 23 THR C C 23 175.978 176.227 -0.249 1
1 277 . 12 1 1 A 23 23 THR CA C 23 60.185 60.612 -0.427 1
1 278 . 12 1 1 A 23 23 THR CB C 23 71.142 71.038 0.104 1
1 280 . 12 1 1 A 23 23 THR N N 23 108.756 114.133 -5.377 1
1 281 . 12 1 1 A 24 24 VAL H H 24 8.201 8.875 -0.674 1
1 282 . 12 1 1 A 24 24 VAL HA H 24 3.337 3.388 -0.051 1
1 290 . 12 1 1 A 24 24 VAL C C 24 176.772 177.910 -1.138 1
1 291 . 12 1 1 A 24 24 VAL CA C 24 66.172 64.981 1.191 1
1 292 . 12 1 1 A 24 24 VAL CB C 24 30.752 31.261 -0.509 1
1 295 . 12 1 1 A 24 24 VAL N N 24 119.897 119.763 0.134 1
1 296 . 12 1 1 A 25 25 GLY H H 25 8.328 8.244 0.084 1
1 297 . 12 1 1 A 25 25 GLY HA2 H 25 3.830 3.756 0.074 1
1 298 . 12 1 1 A 25 25 GLY HA3 H 25 3.722 3.770 -0.048 1
1 299 . 12 1 1 A 25 25 GLY C C 25 177.352 176.384 0.968 1
1 300 . 12 1 1 A 25 25 GLY CA C 25 46.824 47.381 -0.557 1
1 301 . 12 1 1 A 25 25 GLY N N 25 106.836 110.732 -3.896 1
1 302 . 12 1 1 A 26 26 SER H H 26 7.626 8.096 -0.470 1
1 303 . 12 1 1 A 26 26 SER HA H 26 4.286 4.136 0.150 1
1 306 . 12 1 1 A 26 26 SER C C 26 176.160 176.537 -0.377 1
1 307 . 12 1 1 A 26 26 SER CA C 26 61.829 62.303 -0.474 1
1 308 . 12 1 1 A 26 26 SER CB C 26 63.022 62.919 0.103 1
1 309 . 12 1 1 A 26 26 SER N N 26 118.367 119.352 -0.985 1
1 310 . 12 1 1 A 27 27 ILE H H 27 8.072 7.633 0.439 1
1 311 . 12 1 1 A 27 27 ILE HA H 27 3.494 3.542 -0.048 1
1 321 . 12 1 1 A 27 27 ILE C C 27 177.364 178.180 -0.816 1
1 322 . 12 1 1 A 27 27 ILE CA C 27 66.333 64.460 1.873 1
1 323 . 12 1 1 A 27 27 ILE CB C 27 38.065 37.485 0.580 1
1 327 . 12 1 1 A 27 27 ILE N N 27 122.663 120.901 1.762 1
1 328 . 12 1 1 A 28 28 ILE H H 28 8.317 7.835 0.482 1
1 329 . 12 1 1 A 28 28 ILE HA H 28 3.790 3.709 0.081 1
1 339 . 12 1 1 A 28 28 ILE C C 28 179.278 178.180 1.098 1
1 340 . 12 1 1 A 28 28 ILE CA C 28 65.107 65.190 -0.083 1
1 341 . 12 1 1 A 28 28 ILE CB C 28 38.185 37.319 0.866 1
1 345 . 12 1 1 A 28 28 ILE N N 28 119.722 120.436 -0.714 1
1 346 . 12 1 1 A 29 29 SER H H 29 7.703 7.837 -0.134 1
1 347 . 12 1 1 A 29 29 SER HA H 29 4.185 4.048 0.137 1
1 349 . 12 1 1 A 29 29 SER C C 29 176.198 176.289 -0.091 1
1 350 . 12 1 1 A 29 29 SER CA C 29 61.588 62.551 -0.963 1
1 351 . 12 1 1 A 29 29 SER CB C 29 63.021 62.645 0.376 1
1 352 . 12 1 1 A 29 29 SER N N 29 114.967 116.132 -1.165 1
1 353 . 12 1 1 A 30 30 ILE H H 30 7.798 7.796 0.002 1
1 354 . 12 1 1 A 30 30 ILE HA H 30 3.884 3.744 0.140 1
1 364 . 12 1 1 A 30 30 ILE C C 30 177.721 178.155 -0.434 1
1 365 . 12 1 1 A 30 30 ILE CA C 30 64.231 64.685 -0.454 1
1 366 . 12 1 1 A 30 30 ILE CB C 30 39.382 37.734 1.648 1
1 370 . 12 1 1 A 30 30 ILE N N 30 120.517 121.030 -0.513 1
1 371 . 12 1 1 A 31 31 LEU H H 31 8.279 7.501 0.778 1
1 372 . 12 1 1 A 31 31 LEU HA H 31 4.362 4.133 0.229 1
1 382 . 12 1 1 A 31 31 LEU C C 31 178.475 176.972 1.503 1
1 383 . 12 1 1 A 31 31 LEU CA C 31 55.587 55.846 -0.259 1
1 384 . 12 1 1 A 31 31 LEU CB C 31 39.699 42.493 -2.794 1
1 388 . 12 1 1 A 31 31 LEU N N 31 117.941 119.895 -1.954 1
1 389 . 12 1 1 A 32 32 GLY H H 32 8.219 7.825 0.394 1
1 390 . 12 1 1 A 32 32 GLY HA2 H 32 4.123 3.847 0.276 1
1 391 . 12 1 1 A 32 32 GLY HA3 H 32 3.878 3.851 0.027 1
1 392 . 12 1 1 A 32 32 GLY C C 32 175.512 175.278 0.234 1
1 393 . 12 1 1 A 32 32 GLY CA C 32 45.604 45.236 0.368 1
1 394 . 12 1 1 A 32 32 GLY N N 32 107.591 106.095 1.496 1
1 395 . 12 1 1 A 33 33 GLY H H 33 8.667 8.228 0.439 1
1 396 . 12 1 1 A 33 33 GLY HA2 H 33 4.062 3.867 0.195 1
1 397 . 12 1 1 A 33 33 GLY HA3 H 33 3.879 3.868 0.011 1
1 398 . 12 1 1 A 33 33 GLY C C 33 175.510 175.032 0.478 1
1 399 . 12 1 1 A 33 33 GLY CA C 33 46.603 46.831 -0.228 1
1 400 . 12 1 1 A 33 33 GLY N N 33 109.700 107.390 2.310 1
1 401 . 12 1 1 A 34 34 VAL H H 34 8.049 7.915 0.134 1
1 402 . 12 1 1 A 34 34 VAL HA H 34 4.309 3.920 0.389 1
1 410 . 12 1 1 A 34 34 VAL C C 34 176.726 177.220 -0.494 1
1 411 . 12 1 1 A 34 34 VAL CA C 34 62.780 64.178 -1.398 1
1 412 . 12 1 1 A 34 34 VAL CB C 34 32.022 31.750 0.272 1
1 415 . 12 1 1 A 34 34 VAL N N 34 117.737 121.360 -3.623 1
1 416 . 12 1 1 A 35 35 THR H H 35 8.141 7.827 0.314 1
1 417 . 12 1 1 A 35 35 THR HA H 35 4.239 4.171 0.068 1
1 422 . 12 1 1 A 35 35 THR C C 35 174.905 174.218 0.687 1
1 423 . 12 1 1 A 35 35 THR CA C 35 62.571 65.544 -2.973 1
1 424 . 12 1 1 A 35 35 THR CB C 35 69.247 68.979 0.268 1
1 426 . 12 1 1 A 35 35 THR N N 35 111.884 115.334 -3.450 1
1 427 . 12 1 1 A 36 36 VAL H H 36 7.560 8.040 -0.480 1
1 428 . 12 1 1 A 36 36 VAL HA H 36 3.940 3.733 0.207 1
1 436 . 12 1 1 A 36 36 VAL C C 36 177.003 175.971 1.032 1
1 437 . 12 1 1 A 36 36 VAL CA C 36 64.440 63.423 1.017 1
1 438 . 12 1 1 A 36 36 VAL CB C 36 31.926 29.637 2.289 1
1 441 . 12 1 1 A 36 36 VAL N N 36 120.063 119.380 0.683 1
1 442 . 12 1 1 A 37 37 GLY H H 37 8.427 8.067 0.360 1
1 443 . 12 1 1 A 37 37 GLY HA2 H 37 4.143 3.962 0.181 1
1 444 . 12 1 1 A 37 37 GLY HA3 H 37 4.077 3.966 0.111 1
1 445 . 12 1 1 A 37 37 GLY C C 37 176.084 175.864 0.220 1
1 446 . 12 1 1 A 37 37 GLY CA C 37 45.593 45.496 0.097 1
1 447 . 12 1 1 A 37 37 GLY N N 37 110.570 108.038 2.532 1
1 448 . 12 1 1 A 38 38 LEU H H 38 8.157 8.189 -0.032 1
1 449 . 12 1 1 A 38 38 LEU HA H 38 4.094 4.023 0.071 1
1 458 . 12 1 1 A 38 38 LEU C C 38 177.948 179.208 -1.260 1
1 459 . 12 1 1 A 38 38 LEU CA C 38 56.472 56.978 -0.506 1
1 460 . 12 1 1 A 38 38 LEU CB C 38 42.644 41.386 1.258 1
1 464 . 12 1 1 A 38 38 LEU N N 38 121.095 122.938 -1.843 1
1 465 . 12 1 1 A 39 39 SER H H 39 8.417 8.019 0.398 1
1 466 . 12 1 1 A 39 39 SER HA H 39 3.921 4.193 -0.272 1
1 469 . 12 1 1 A 39 39 SER C C 39 176.742 176.820 -0.078 1
1 470 . 12 1 1 A 39 39 SER CA C 39 62.250 61.069 1.181 1
1 471 . 12 1 1 A 39 39 SER CB C 39 62.228 63.077 -0.849 1
1 472 . 12 1 1 A 39 39 SER N N 39 113.122 114.807 -1.685 1
1 473 . 12 1 1 A 40 40 GLY H H 40 8.169 8.404 -0.235 1
1 474 . 12 1 1 A 40 40 GLY HA2 H 40 4.108 3.789 0.319 1
1 475 . 12 1 1 A 40 40 GLY HA3 H 40 3.990 3.807 0.183 1
1 476 . 12 1 1 A 40 40 GLY C C 40 175.225 175.600 -0.375 1
1 477 . 12 1 1 A 40 40 GLY CA C 40 46.354 46.758 -0.404 1
1 478 . 12 1 1 A 40 40 GLY N N 40 107.856 107.037 0.819 1
1 479 . 12 1 1 A 41 41 VAL H H 41 7.321 7.775 -0.454 1
1 480 . 12 1 1 A 41 41 VAL HA H 41 4.482 3.730 0.752 1
1 488 . 12 1 1 A 41 41 VAL C C 41 176.112 177.575 -1.463 1
1 489 . 12 1 1 A 41 41 VAL CA C 41 61.490 64.463 -2.973 1
1 490 . 12 1 1 A 41 41 VAL CB C 41 33.211 31.042 2.169 1
1 493 . 12 1 1 A 41 41 VAL N N 41 114.922 118.597 -3.675 1
1 494 . 12 1 1 A 42 42 PHE H H 42 7.832 8.341 -0.509 1
1 495 . 12 1 1 A 42 42 PHE HA H 42 3.890 4.048 -0.158 1
1 501 . 12 1 1 A 42 42 PHE C C 42 176.656 177.065 -0.409 1
1 502 . 12 1 1 A 42 42 PHE CA C 42 62.384 61.982 0.402 1
1 503 . 12 1 1 A 42 42 PHE CB C 42 39.677 39.284 0.393 1
1 507 . 12 1 1 A 42 42 PHE N N 42 122.726 124.186 -1.460 1
1 508 . 12 1 1 A 43 43 THR H H 43 8.606 8.326 0.280 1
1 509 . 12 1 1 A 43 43 THR HA H 43 3.771 3.965 -0.194 1
1 514 . 12 1 1 A 43 43 THR C C 43 176.755 176.511 0.244 1
1 515 . 12 1 1 A 43 43 THR CA C 43 66.787 66.944 -0.157 1
1 516 . 12 1 1 A 43 43 THR CB C 43 68.302 68.611 -0.309 1
1 518 . 12 1 1 A 43 43 THR N N 43 113.613 115.591 -1.978 1
1 519 . 12 1 1 A 44 44 ALA H H 44 7.860 7.788 0.072 1
1 520 . 12 1 1 A 44 44 ALA HA H 44 4.203 4.113 0.090 1
1 524 . 12 1 1 A 44 44 ALA C C 44 181.044 180.411 0.633 1
1 525 . 12 1 1 A 44 44 ALA CA C 44 54.896 55.157 -0.261 1
1 526 . 12 1 1 A 44 44 ALA CB C 44 17.985 18.343 -0.358 1
1 527 . 12 1 1 A 44 44 ALA N N 44 125.406 123.765 1.641 1
1 528 . 12 1 1 A 45 45 VAL H H 45 8.391 7.632 0.759 1
1 529 . 12 1 1 A 45 45 VAL HA H 45 3.565 3.429 0.136 1
1 537 . 12 1 1 A 45 45 VAL C C 45 177.079 177.588 -0.509 1
1 538 . 12 1 1 A 45 45 VAL CA C 45 66.523 66.985 -0.462 1
1 539 . 12 1 1 A 45 45 VAL CB C 45 31.323 31.334 -0.011 1
1 542 . 12 1 1 A 45 45 VAL N N 45 120.467 118.251 2.216 1
1 543 . 12 1 1 A 46 46 LYS H H 46 8.270 7.806 0.464 1
1 544 . 12 1 1 A 46 46 LYS HA H 46 3.699 3.921 -0.222 1
1 550 . 12 1 1 A 46 46 LYS C C 46 179.171 178.817 0.354 1
1 551 . 12 1 1 A 46 46 LYS CA C 46 60.606 58.957 1.649 1
1 552 . 12 1 1 A 46 46 LYS CB C 46 32.057 32.684 -0.627 1
1 556 . 12 1 1 A 46 46 LYS N N 46 120.461 120.065 0.396 1
1 557 . 12 1 1 A 47 47 ALA H H 47 7.854 7.603 0.251 1
1 558 . 12 1 1 A 47 47 ALA HA H 47 4.192 4.078 0.114 1
1 562 . 12 1 1 A 47 47 ALA C C 47 179.565 180.013 -0.448 1
1 563 . 12 1 1 A 47 47 ALA CA C 47 54.782 54.892 -0.110 1
1 564 . 12 1 1 A 47 47 ALA CB C 47 18.004 18.313 -0.309 1
1 565 . 12 1 1 A 47 47 ALA N N 47 120.799 120.928 -0.129 1
1 566 . 12 1 1 A 48 48 ALA H H 48 7.931 7.585 0.346 1
1 567 . 12 1 1 A 48 48 ALA HA H 48 4.232 4.095 0.137 1
1 571 . 12 1 1 A 48 48 ALA C C 48 180.197 179.677 0.520 1
1 572 . 12 1 1 A 48 48 ALA CA C 48 55.028 55.227 -0.199 1
1 573 . 12 1 1 A 48 48 ALA CB C 48 17.968 18.092 -0.124 1
1 574 . 12 1 1 A 48 48 ALA N N 48 120.585 120.221 0.364 1
1 575 . 12 1 1 A 49 49 ILE H H 49 8.270 7.780 0.490 1
1 576 . 12 1 1 A 49 49 ILE HA H 49 3.190 3.542 -0.352 1
1 586 . 12 1 1 A 49 49 ILE C C 49 177.762 177.875 -0.113 1
1 587 . 12 1 1 A 49 49 ILE CA C 49 66.396 65.519 0.877 1
1 588 . 12 1 1 A 49 49 ILE CB C 49 38.698 37.682 1.016 1
1 592 . 12 1 1 A 49 49 ILE N N 49 118.535 118.615 -0.080 1
1 593 . 12 1 1 A 50 50 ALA H H 50 7.198 7.904 -0.706 1
1 594 . 12 1 1 A 50 50 ALA HA H 50 4.154 4.058 0.096 1
1 598 . 12 1 1 A 50 50 ALA C C 50 179.323 180.078 -0.755 1
1 599 . 12 1 1 A 50 50 ALA CA C 50 54.684 54.725 -0.041 1
1 600 . 12 1 1 A 50 50 ALA CB C 50 18.877 18.181 0.696 1
1 601 . 12 1 1 A 50 50 ALA N N 50 118.853 121.739 -2.886 1
1 602 . 12 1 1 A 51 51 LYS H H 51 8.047 7.423 0.624 1
1 603 . 12 1 1 A 51 51 LYS HA H 51 4.372 4.143 0.229 1
1 609 . 12 1 1 A 51 51 LYS C C 51 177.694 178.362 -0.668 1
1 610 . 12 1 1 A 51 51 LYS CA C 51 57.678 59.216 -1.538 1
1 611 . 12 1 1 A 51 51 LYS CB C 51 34.279 32.871 1.408 1
1 615 . 12 1 1 A 51 51 LYS N N 51 114.606 118.008 -3.402 1
1 616 . 12 1 1 A 52 52 GLN H H 52 8.707 8.619 0.088 1
1 617 . 12 1 1 A 52 52 GLN HA H 52 4.592 4.406 0.186 1
1 624 . 12 1 1 A 52 52 GLN C C 52 176.792 175.951 0.841 1
1 625 . 12 1 1 A 52 52 GLN CA C 52 56.454 56.898 -0.444 1
1 626 . 12 1 1 A 52 52 GLN CB C 52 31.792 30.279 1.513 1
1 629 . 12 1 1 A 52 52 GLN N N 52 115.942 115.532 0.410 1
1 631 . 12 1 1 A 53 53 GLY H H 53 8.045 7.318 0.727 1
1 632 . 12 1 1 A 53 53 GLY HA2 H 53 4.568 4.037 0.531 1
1 633 . 12 1 1 A 53 53 GLY HA3 H 53 4.066 4.038 0.028 1
1 634 . 12 1 1 A 53 53 GLY C C 53 173.741 174.644 -0.903 1
1 635 . 12 1 1 A 53 53 GLY CA C 53 44.553 45.716 -1.163 1
1 636 . 12 1 1 A 53 53 GLY N N 53 110.313 103.360 6.953 1
1 637 . 12 1 1 A 54 54 ILE H H 54 8.281 8.681 -0.400 1
1 638 . 12 1 1 A 54 54 ILE HA H 54 3.583 3.739 -0.156 1
1 648 . 12 1 1 A 54 54 ILE C C 54 177.313 177.956 -0.643 1
1 649 . 12 1 1 A 54 54 ILE CA C 54 65.253 64.234 1.019 1
1 650 . 12 1 1 A 54 54 ILE CB C 54 38.489 37.731 0.758 1
1 654 . 12 1 1 A 54 54 ILE N N 54 117.579 119.466 -1.887 1
1 655 . 12 1 1 A 55 55 LYS H H 55 8.334 8.295 0.039 1
1 656 . 12 1 1 A 55 55 LYS HA H 55 3.955 4.062 -0.107 1
1 663 . 12 1 1 A 55 55 LYS C C 55 180.026 178.799 1.227 1
1 664 . 12 1 1 A 55 55 LYS CA C 55 60.343 59.199 1.144 1
1 665 . 12 1 1 A 55 55 LYS CB C 55 31.693 32.320 -0.627 1
1 669 . 12 1 1 A 55 55 LYS N N 55 119.039 122.984 -3.945 1
1 670 . 12 1 1 A 56 56 LYS H H 56 7.987 7.945 0.042 1
1 671 . 12 1 1 A 56 56 LYS HA H 56 4.130 4.032 0.098 1
1 677 . 12 1 1 A 56 56 LYS C C 56 178.612 179.278 -0.666 1
1 678 . 12 1 1 A 56 56 LYS CA C 56 57.715 59.118 -1.403 1
1 679 . 12 1 1 A 56 56 LYS CB C 56 31.714 32.145 -0.431 1
1 683 . 12 1 1 A 56 56 LYS N N 56 119.113 119.400 -0.287 1
1 684 . 12 1 1 A 57 57 ALA H H 57 7.735 7.896 -0.161 1
1 685 . 12 1 1 A 57 57 ALA HA H 57 3.911 4.023 -0.112 1
1 689 . 12 1 1 A 57 57 ALA C C 57 178.713 180.303 -1.590 1
1 690 . 12 1 1 A 57 57 ALA CA C 57 55.568 55.008 0.560 1
1 691 . 12 1 1 A 57 57 ALA CB C 57 19.922 18.422 1.500 1
1 692 . 12 1 1 A 57 57 ALA N N 57 122.357 121.593 0.764 1
1 693 . 12 1 1 A 58 58 ILE H H 58 8.257 7.619 0.638 1
1 694 . 12 1 1 A 58 58 ILE HA H 58 3.452 3.597 -0.145 1
1 704 . 12 1 1 A 58 58 ILE C C 58 177.688 177.829 -0.141 1
1 705 . 12 1 1 A 58 58 ILE CA C 58 66.157 65.371 0.786 1
1 706 . 12 1 1 A 58 58 ILE CB C 58 38.306 37.872 0.434 1
1 710 . 12 1 1 A 58 58 ILE N N 58 117.279 119.221 -1.942 1
1 711 . 12 1 1 A 59 59 GLN H H 59 7.752 8.341 -0.589 1
1 712 . 12 1 1 A 59 59 GLN HA H 59 3.916 3.994 -0.078 1
1 719 . 12 1 1 A 59 59 GLN C C 59 178.976 178.475 0.501 1
1 720 . 12 1 1 A 59 59 GLN CA C 59 59.112 59.187 -0.075 1
1 721 . 12 1 1 A 59 59 GLN CB C 59 28.189 28.240 -0.051 1
1 724 . 12 1 1 A 59 59 GLN N N 59 117.533 119.696 -2.163 1
1 18 . 13 1 1 A 2 2 VAL H H 2 8.475 8.219 0.256 1
1 19 . 13 1 1 A 2 2 VAL HA H 2 4.528 3.915 0.613 1
1 27 . 13 1 1 A 2 2 VAL C C 2 181.462 178.077 3.385 1
1 28 . 13 1 1 A 2 2 VAL CA C 2 65.162 66.569 -1.407 1
1 29 . 13 1 1 A 2 2 VAL CB C 2 31.895 31.605 0.290 1
1 32 . 13 1 1 A 2 2 VAL N N 2 121.849 117.061 4.788 1
1 33 . 13 1 1 A 3 3 ALA H H 3 8.256 8.464 -0.208 1
1 34 . 13 1 1 A 3 3 ALA HA H 3 4.173 4.085 0.088 1
1 38 . 13 1 1 A 3 3 ALA C C 3 179.402 179.526 -0.124 1
1 39 . 13 1 1 A 3 3 ALA CA C 3 54.725 54.848 -0.123 1
1 40 . 13 1 1 A 3 3 ALA CB C 3 17.784 18.150 -0.366 1
1 41 . 13 1 1 A 3 3 ALA N N 3 124.615 121.579 3.036 1
1 42 . 13 1 1 A 4 4 TYR H H 4 7.717 8.015 -0.298 1
1 43 . 13 1 1 A 4 4 TYR HA H 4 4.465 4.336 0.129 1
1 48 . 13 1 1 A 4 4 TYR C C 4 177.710 176.705 1.005 1
1 49 . 13 1 1 A 4 4 TYR CA C 4 58.648 60.541 -1.893 1
1 50 . 13 1 1 A 4 4 TYR CB C 4 38.838 38.866 -0.028 1
1 53 . 13 1 1 A 4 4 TYR N N 4 117.777 116.816 0.961 1
1 54 . 13 1 1 A 5 5 GLY H H 5 7.942 7.910 0.032 1
1 55 . 13 1 1 A 5 5 GLY HA2 H 5 4.373 4.189 0.184 1
1 56 . 13 1 1 A 5 5 GLY HA3 H 5 3.699 4.206 -0.507 1
1 57 . 13 1 1 A 5 5 GLY C C 5 174.273 173.596 0.677 1
1 58 . 13 1 1 A 5 5 GLY CA C 5 45.019 45.453 -0.434 1
1 59 . 13 1 1 A 5 5 GLY N N 5 105.556 104.313 1.243 1
1 60 . 13 1 1 A 6 6 ILE H H 6 7.844 8.031 -0.187 1
1 61 . 13 1 1 A 6 6 ILE HA H 6 4.135 4.709 -0.574 1
1 71 . 13 1 1 A 6 6 ILE C C 6 174.476 174.865 -0.389 1
1 72 . 13 1 1 A 6 6 ILE CA C 6 59.997 59.587 0.410 1
1 73 . 13 1 1 A 6 6 ILE CB C 6 37.498 42.209 -4.711 1
1 77 . 13 1 1 A 6 6 ILE N N 6 123.172 120.277 2.895 1
1 78 . 13 1 1 A 7 7 ALA H H 7 8.361 8.651 -0.290 1
1 79 . 13 1 1 A 7 7 ALA HA H 7 4.205 4.343 -0.138 1
1 83 . 13 1 1 A 7 7 ALA C C 7 178.710 177.980 0.730 1
1 84 . 13 1 1 A 7 7 ALA CA C 7 52.736 52.509 0.227 1
1 85 . 13 1 1 A 7 7 ALA CB C 7 19.343 19.418 -0.075 1
1 86 . 13 1 1 A 7 7 ALA N N 7 128.201 129.149 -0.948 1
1 87 . 13 1 1 A 8 8 GLN H H 8 8.929 8.908 0.021 1
1 88 . 13 1 1 A 8 8 GLN HA H 8 3.670 3.987 -0.317 1
1 95 . 13 1 1 A 8 8 GLN C C 8 177.362 178.293 -0.931 1
1 96 . 13 1 1 A 8 8 GLN CA C 8 60.337 59.127 1.210 1
1 97 . 13 1 1 A 8 8 GLN CB C 8 28.290 28.490 -0.200 1
1 100 . 13 1 1 A 8 8 GLN N N 8 121.784 121.379 0.405 1
1 102 . 13 1 1 A 9 9 GLY H H 9 9.034 8.130 0.904 1
1 103 . 13 1 1 A 9 9 GLY HA2 H 9 3.891 3.675 0.216 1
1 104 . 13 1 1 A 9 9 GLY C C 9 177.273 176.435 0.838 1
1 105 . 13 1 1 A 9 9 GLY CA C 9 47.126 46.912 0.214 1
1 106 . 13 1 1 A 9 9 GLY N N 9 105.262 107.266 -2.004 1
1 107 . 13 1 1 A 10 10 THR H H 10 7.254 7.925 -0.671 1
1 108 . 13 1 1 A 10 10 THR HA H 10 4.010 4.097 -0.087 1
1 113 . 13 1 1 A 10 10 THR C C 10 175.476 176.114 -0.638 1
1 114 . 13 1 1 A 10 10 THR CA C 10 65.939 65.072 0.867 1
1 115 . 13 1 1 A 10 10 THR CB C 10 68.252 68.567 -0.315 1
1 117 . 13 1 1 A 10 10 THR N N 10 118.993 117.695 1.298 1
1 118 . 13 1 1 A 11 11 ALA H H 11 9.152 8.631 0.521 1
1 119 . 13 1 1 A 11 11 ALA HA H 11 3.759 4.009 -0.250 1
1 123 . 13 1 1 A 11 11 ALA C C 11 178.878 179.868 -0.990 1
1 124 . 13 1 1 A 11 11 ALA CA C 11 55.756 55.287 0.469 1
1 125 . 13 1 1 A 11 11 ALA CB C 11 19.820 18.457 1.363 1
1 126 . 13 1 1 A 11 11 ALA N N 11 126.026 122.997 3.029 1
1 127 . 13 1 1 A 12 12 GLU H H 12 8.442 8.020 0.422 1
1 128 . 13 1 1 A 12 12 GLU HA H 12 3.748 4.057 -0.309 1
1 133 . 13 1 1 A 12 12 GLU C C 12 179.309 178.737 0.572 1
1 134 . 13 1 1 A 12 12 GLU CA C 12 59.899 59.588 0.311 1
1 135 . 13 1 1 A 12 12 GLU CB C 12 29.713 29.320 0.393 1
1 137 . 13 1 1 A 12 12 GLU N N 12 115.831 118.733 -2.902 1
1 138 . 13 1 1 A 13 13 LYS H H 13 7.253 7.369 -0.116 1
1 139 . 13 1 1 A 13 13 LYS HA H 13 4.147 4.185 -0.038 1
1 145 . 13 1 1 A 13 13 LYS C C 13 178.842 178.615 0.227 1
1 146 . 13 1 1 A 13 13 LYS CA C 13 59.198 58.584 0.614 1
1 147 . 13 1 1 A 13 13 LYS CB C 13 32.678 32.529 0.149 1
1 150 . 13 1 1 A 13 13 LYS N N 13 119.708 120.093 -0.385 1
1 151 . 13 1 1 A 14 14 VAL H H 14 8.649 8.371 0.278 1
1 152 . 13 1 1 A 14 14 VAL HA H 14 3.368 3.788 -0.420 1
1 160 . 13 1 1 A 14 14 VAL C C 14 177.806 178.232 -0.426 1
1 161 . 13 1 1 A 14 14 VAL CA C 14 67.448 66.073 1.375 1
1 162 . 13 1 1 A 14 14 VAL CB C 14 31.423 31.858 -0.435 1
1 165 . 13 1 1 A 14 14 VAL N N 14 119.012 119.176 -0.164 1
1 166 . 13 1 1 A 15 15 VAL H H 15 8.172 7.866 0.306 1
1 167 . 13 1 1 A 15 15 VAL HA H 15 3.418 3.559 -0.141 1
1 175 . 13 1 1 A 15 15 VAL C C 15 177.325 178.801 -1.476 1
1 176 . 13 1 1 A 15 15 VAL CA C 15 67.632 66.730 0.902 1
1 177 . 13 1 1 A 15 15 VAL CB C 15 31.168 31.378 -0.210 1
1 180 . 13 1 1 A 15 15 VAL N N 15 117.226 121.028 -3.802 1
1 181 . 13 1 1 A 16 16 SER H H 16 7.804 8.022 -0.218 1
1 182 . 13 1 1 A 16 16 SER HA H 16 4.232 4.193 0.039 1
1 185 . 13 1 1 A 16 16 SER C C 16 177.563 177.001 0.562 1
1 186 . 13 1 1 A 16 16 SER CA C 16 61.988 61.169 0.819 1
1 187 . 13 1 1 A 16 16 SER CB C 16 62.781 63.196 -0.415 1
1 188 . 13 1 1 A 16 16 SER N N 16 115.358 115.728 -0.370 1
1 189 . 13 1 1 A 17 17 LEU H H 17 8.089 8.042 0.047 1
1 190 . 13 1 1 A 17 17 LEU HA H 17 4.234 4.112 0.122 1
1 200 . 13 1 1 A 17 17 LEU C C 17 179.382 179.525 -0.143 1
1 201 . 13 1 1 A 17 17 LEU CA C 17 57.908 57.793 0.115 1
1 202 . 13 1 1 A 17 17 LEU CB C 17 41.459 41.367 0.092 1
1 206 . 13 1 1 A 17 17 LEU N N 17 121.995 122.453 -0.458 1
1 207 . 13 1 1 A 18 18 ILE H H 18 8.690 7.865 0.825 1
1 208 . 13 1 1 A 18 18 ILE HA H 18 3.799 3.535 0.264 1
1 218 . 13 1 1 A 18 18 ILE C C 18 181.545 177.809 3.736 1
1 219 . 13 1 1 A 18 18 ILE CA C 18 65.849 65.684 0.165 1
1 220 . 13 1 1 A 18 18 ILE CB C 18 37.844 37.978 -0.134 1
1 224 . 13 1 1 A 18 18 ILE N N 18 121.273 120.947 0.326 1
1 225 . 13 1 1 A 19 19 ASN H H 19 8.663 8.132 0.531 1
1 226 . 13 1 1 A 19 19 ASN HA H 19 4.548 4.475 0.073 1
1 231 . 13 1 1 A 19 19 ASN C C 19 176.165 177.332 -1.167 1
1 232 . 13 1 1 A 19 19 ASN CA C 19 55.365 56.582 -1.217 1
1 233 . 13 1 1 A 19 19 ASN CB C 19 38.196 39.614 -1.418 1
1 235 . 13 1 1 A 19 19 ASN N N 19 120.662 118.892 1.770 1
1 237 . 13 1 1 A 20 20 ALA H H 20 7.564 7.517 0.047 1
1 238 . 13 1 1 A 20 20 ALA HA H 20 4.411 4.252 0.159 1
1 242 . 13 1 1 A 20 20 ALA C C 20 175.860 177.876 -2.016 1
1 243 . 13 1 1 A 20 20 ALA CA C 20 52.478 52.384 0.094 1
1 244 . 13 1 1 A 20 20 ALA CB C 20 18.668 19.633 -0.965 1
1 245 . 13 1 1 A 20 20 ALA N N 20 120.105 118.730 1.375 1
1 246 . 13 1 1 A 21 21 GLY H H 21 7.959 8.271 -0.312 1
1 247 . 13 1 1 A 21 21 GLY HA2 H 21 4.310 3.911 0.399 1
1 248 . 13 1 1 A 21 21 GLY HA3 H 21 3.804 3.921 -0.117 1
1 249 . 13 1 1 A 21 21 GLY C C 21 175.014 174.815 0.199 1
1 250 . 13 1 1 A 21 21 GLY CA C 21 45.286 45.903 -0.617 1
1 251 . 13 1 1 A 21 21 GLY N N 21 105.589 107.365 -1.776 1
1 252 . 13 1 1 A 22 22 LEU H H 22 7.529 7.473 0.056 1
1 253 . 13 1 1 A 22 22 LEU HA H 22 4.462 4.457 0.005 1
1 263 . 13 1 1 A 22 22 LEU C C 22 177.271 176.999 0.272 1
1 264 . 13 1 1 A 22 22 LEU CA C 22 56.388 54.691 1.697 1
1 265 . 13 1 1 A 22 22 LEU CB C 22 42.442 42.571 -0.129 1
1 269 . 13 1 1 A 22 22 LEU N N 22 121.608 122.488 -0.880 1
1 270 . 13 1 1 A 23 23 THR H H 23 7.976 8.515 -0.539 1
1 271 . 13 1 1 A 23 23 THR HA H 23 4.335 4.574 -0.239 1
1 276 . 13 1 1 A 23 23 THR C C 23 175.978 175.801 0.177 1
1 277 . 13 1 1 A 23 23 THR CA C 23 60.185 61.373 -1.188 1
1 278 . 13 1 1 A 23 23 THR CB C 23 71.142 70.122 1.020 1
1 280 . 13 1 1 A 23 23 THR N N 23 108.756 114.836 -6.080 1
1 281 . 13 1 1 A 24 24 VAL H H 24 8.201 8.836 -0.635 1
1 282 . 13 1 1 A 24 24 VAL HA H 24 3.337 3.281 0.056 1
1 290 . 13 1 1 A 24 24 VAL C C 24 176.772 177.901 -1.129 1
1 291 . 13 1 1 A 24 24 VAL CA C 24 66.172 64.820 1.352 1
1 292 . 13 1 1 A 24 24 VAL CB C 24 30.752 31.229 -0.477 1
1 295 . 13 1 1 A 24 24 VAL N N 24 119.897 121.928 -2.031 1
1 296 . 13 1 1 A 25 25 GLY H H 25 8.328 8.164 0.164 1
1 297 . 13 1 1 A 25 25 GLY HA2 H 25 3.830 3.818 0.012 1
1 298 . 13 1 1 A 25 25 GLY HA3 H 25 3.722 3.832 -0.110 1
1 299 . 13 1 1 A 25 25 GLY C C 25 177.352 176.249 1.103 1
1 300 . 13 1 1 A 25 25 GLY CA C 25 46.824 47.261 -0.437 1
1 301 . 13 1 1 A 25 25 GLY N N 25 106.836 110.727 -3.891 1
1 302 . 13 1 1 A 26 26 SER H H 26 7.626 8.294 -0.668 1
1 303 . 13 1 1 A 26 26 SER HA H 26 4.286 4.107 0.179 1
1 306 . 13 1 1 A 26 26 SER C C 26 176.160 177.455 -1.295 1
1 307 . 13 1 1 A 26 26 SER CA C 26 61.829 61.352 0.477 1
1 308 . 13 1 1 A 26 26 SER CB C 26 63.022 62.594 0.428 1
1 309 . 13 1 1 A 26 26 SER N N 26 118.367 115.947 2.420 1
1 310 . 13 1 1 A 27 27 ILE H H 27 8.072 7.641 0.431 1
1 311 . 13 1 1 A 27 27 ILE HA H 27 3.494 3.542 -0.048 1
1 321 . 13 1 1 A 27 27 ILE C C 27 177.364 178.105 -0.741 1
1 322 . 13 1 1 A 27 27 ILE CA C 27 66.333 64.429 1.904 1
1 323 . 13 1 1 A 27 27 ILE CB C 27 38.065 37.436 0.629 1
1 327 . 13 1 1 A 27 27 ILE N N 27 122.663 122.725 -0.062 1
1 328 . 13 1 1 A 28 28 ILE H H 28 8.317 8.165 0.152 1
1 329 . 13 1 1 A 28 28 ILE HA H 28 3.790 3.626 0.164 1
1 339 . 13 1 1 A 28 28 ILE C C 28 179.278 177.788 1.490 1
1 340 . 13 1 1 A 28 28 ILE CA C 28 65.107 65.170 -0.063 1
1 341 . 13 1 1 A 28 28 ILE CB C 28 38.185 37.714 0.471 1
1 345 . 13 1 1 A 28 28 ILE N N 28 119.722 121.414 -1.692 1
1 346 . 13 1 1 A 29 29 SER H H 29 7.703 7.389 0.314 1
1 347 . 13 1 1 A 29 29 SER HA H 29 4.185 4.125 0.060 1
1 349 . 13 1 1 A 29 29 SER C C 29 176.198 176.391 -0.193 1
1 350 . 13 1 1 A 29 29 SER CA C 29 61.588 62.455 -0.867 1
1 351 . 13 1 1 A 29 29 SER CB C 29 63.021 62.735 0.286 1
1 352 . 13 1 1 A 29 29 SER N N 29 114.967 115.727 -0.760 1
1 353 . 13 1 1 A 30 30 ILE H H 30 7.798 7.527 0.271 1
1 354 . 13 1 1 A 30 30 ILE HA H 30 3.884 3.685 0.199 1
1 364 . 13 1 1 A 30 30 ILE C C 30 177.721 178.014 -0.293 1
1 365 . 13 1 1 A 30 30 ILE CA C 30 64.231 65.156 -0.925 1
1 366 . 13 1 1 A 30 30 ILE CB C 30 39.382 37.704 1.678 1
1 370 . 13 1 1 A 30 30 ILE N N 30 120.517 121.438 -0.921 1
1 371 . 13 1 1 A 31 31 LEU H H 31 8.279 7.581 0.698 1
1 372 . 13 1 1 A 31 31 LEU HA H 31 4.362 4.010 0.352 1
1 382 . 13 1 1 A 31 31 LEU C C 31 178.475 177.563 0.912 1
1 383 . 13 1 1 A 31 31 LEU CA C 31 55.587 57.398 -1.811 1
1 384 . 13 1 1 A 31 31 LEU CB C 31 39.699 42.078 -2.379 1
1 388 . 13 1 1 A 31 31 LEU N N 31 117.941 119.876 -1.935 1
1 389 . 13 1 1 A 32 32 GLY H H 32 8.219 8.430 -0.211 1
1 390 . 13 1 1 A 32 32 GLY HA2 H 32 4.123 3.871 0.252 1
1 391 . 13 1 1 A 32 32 GLY HA3 H 32 3.878 3.873 0.005 1
1 392 . 13 1 1 A 32 32 GLY C C 32 175.512 175.283 0.229 1
1 393 . 13 1 1 A 32 32 GLY CA C 32 45.604 46.611 -1.007 1
1 394 . 13 1 1 A 32 32 GLY N N 32 107.591 107.477 0.114 1
1 395 . 13 1 1 A 33 33 GLY H H 33 8.667 7.783 0.884 1
1 396 . 13 1 1 A 33 33 GLY HA2 H 33 4.062 4.260 -0.198 1
1 397 . 13 1 1 A 33 33 GLY HA3 H 33 3.879 4.263 -0.384 1
1 398 . 13 1 1 A 33 33 GLY C C 33 175.510 173.472 2.038 1
1 399 . 13 1 1 A 33 33 GLY CA C 33 46.603 45.628 0.975 1
1 400 . 13 1 1 A 33 33 GLY N N 33 109.700 106.689 3.011 1
1 401 . 13 1 1 A 34 34 VAL H H 34 8.049 8.025 0.024 1
1 402 . 13 1 1 A 34 34 VAL HA H 34 4.309 3.748 0.561 1
1 410 . 13 1 1 A 34 34 VAL C C 34 176.726 175.824 0.902 1
1 411 . 13 1 1 A 34 34 VAL CA C 34 62.780 62.933 -0.153 1
1 412 . 13 1 1 A 34 34 VAL CB C 34 32.022 30.094 1.928 1
1 415 . 13 1 1 A 34 34 VAL N N 34 117.737 113.825 3.912 1
1 416 . 13 1 1 A 35 35 THR H H 35 8.141 8.215 -0.074 1
1 417 . 13 1 1 A 35 35 THR HA H 35 4.239 4.344 -0.105 1
1 422 . 13 1 1 A 35 35 THR C C 35 174.905 174.926 -0.021 1
1 423 . 13 1 1 A 35 35 THR CA C 35 62.571 62.220 0.351 1
1 424 . 13 1 1 A 35 35 THR CB C 35 69.247 69.318 -0.071 1
1 426 . 13 1 1 A 35 35 THR N N 35 111.884 112.367 -0.483 1
1 427 . 13 1 1 A 36 36 VAL H H 36 7.560 7.543 0.017 1
1 428 . 13 1 1 A 36 36 VAL HA H 36 3.940 3.903 0.037 1
1 436 . 13 1 1 A 36 36 VAL C C 36 177.003 176.510 0.493 1
1 437 . 13 1 1 A 36 36 VAL CA C 36 64.440 63.370 1.070 1
1 438 . 13 1 1 A 36 36 VAL CB C 36 31.926 31.131 0.795 1
1 441 . 13 1 1 A 36 36 VAL N N 36 120.063 123.112 -3.049 1
1 442 . 13 1 1 A 37 37 GLY H H 37 8.427 8.575 -0.148 1
1 443 . 13 1 1 A 37 37 GLY HA2 H 37 4.143 3.889 0.254 1
1 444 . 13 1 1 A 37 37 GLY HA3 H 37 4.077 3.894 0.183 1
1 445 . 13 1 1 A 37 37 GLY C C 37 176.084 176.295 -0.211 1
1 446 . 13 1 1 A 37 37 GLY CA C 37 45.593 45.467 0.126 1
1 447 . 13 1 1 A 37 37 GLY N N 37 110.570 115.580 -5.010 1
1 448 . 13 1 1 A 38 38 LEU H H 38 8.157 8.067 0.090 1
1 449 . 13 1 1 A 38 38 LEU HA H 38 4.094 4.056 0.038 1
1 458 . 13 1 1 A 38 38 LEU C C 38 177.948 179.306 -1.358 1
1 459 . 13 1 1 A 38 38 LEU CA C 38 56.472 56.796 -0.324 1
1 460 . 13 1 1 A 38 38 LEU CB C 38 42.644 41.566 1.078 1
1 464 . 13 1 1 A 38 38 LEU N N 38 121.095 122.425 -1.330 1
1 465 . 13 1 1 A 39 39 SER H H 39 8.417 8.204 0.213 1
1 466 . 13 1 1 A 39 39 SER HA H 39 3.921 4.187 -0.266 1
1 469 . 13 1 1 A 39 39 SER C C 39 176.742 177.078 -0.336 1
1 470 . 13 1 1 A 39 39 SER CA C 39 62.250 61.327 0.923 1
1 471 . 13 1 1 A 39 39 SER CB C 39 62.228 62.287 -0.059 1
1 472 . 13 1 1 A 39 39 SER N N 39 113.122 113.623 -0.501 1
1 473 . 13 1 1 A 40 40 GLY H H 40 8.169 7.891 0.278 1
1 474 . 13 1 1 A 40 40 GLY HA2 H 40 4.108 3.949 0.159 1
1 475 . 13 1 1 A 40 40 GLY HA3 H 40 3.990 3.961 0.029 1
1 476 . 13 1 1 A 40 40 GLY C C 40 175.225 175.110 0.115 1
1 477 . 13 1 1 A 40 40 GLY CA C 40 46.354 46.500 -0.146 1
1 478 . 13 1 1 A 40 40 GLY N N 40 107.856 110.038 -2.182 1
1 479 . 13 1 1 A 41 41 VAL H H 41 7.321 7.680 -0.359 1
1 480 . 13 1 1 A 41 41 VAL HA H 41 4.482 4.073 0.409 1
1 488 . 13 1 1 A 41 41 VAL C C 41 176.112 177.396 -1.284 1
1 489 . 13 1 1 A 41 41 VAL CA C 41 61.490 64.022 -2.532 1
1 490 . 13 1 1 A 41 41 VAL CB C 41 33.211 32.698 0.513 1
1 493 . 13 1 1 A 41 41 VAL N N 41 114.922 121.046 -6.124 1
1 494 . 13 1 1 A 42 42 PHE H H 42 7.832 8.162 -0.330 1
1 495 . 13 1 1 A 42 42 PHE HA H 42 3.890 4.002 -0.112 1
1 501 . 13 1 1 A 42 42 PHE C C 42 176.656 177.109 -0.453 1
1 502 . 13 1 1 A 42 42 PHE CA C 42 62.384 61.660 0.724 1
1 503 . 13 1 1 A 42 42 PHE CB C 42 39.677 38.947 0.730 1
1 507 . 13 1 1 A 42 42 PHE N N 42 122.726 123.494 -0.768 1
1 508 . 13 1 1 A 43 43 THR H H 43 8.606 7.909 0.697 1
1 509 . 13 1 1 A 43 43 THR HA H 43 3.771 3.984 -0.213 1
1 514 . 13 1 1 A 43 43 THR C C 43 176.755 176.340 0.415 1
1 515 . 13 1 1 A 43 43 THR CA C 43 66.787 66.960 -0.173 1
1 516 . 13 1 1 A 43 43 THR CB C 43 68.302 68.687 -0.385 1
1 518 . 13 1 1 A 43 43 THR N N 43 113.613 114.743 -1.130 1
1 519 . 13 1 1 A 44 44 ALA H H 44 7.860 8.049 -0.189 1
1 520 . 13 1 1 A 44 44 ALA HA H 44 4.203 4.076 0.127 1
1 524 . 13 1 1 A 44 44 ALA C C 44 181.044 180.629 0.415 1
1 525 . 13 1 1 A 44 44 ALA CA C 44 54.896 55.221 -0.325 1
1 526 . 13 1 1 A 44 44 ALA CB C 44 17.985 18.224 -0.239 1
1 527 . 13 1 1 A 44 44 ALA N N 44 125.406 123.883 1.523 1
1 528 . 13 1 1 A 45 45 VAL H H 45 8.391 7.633 0.758 1
1 529 . 13 1 1 A 45 45 VAL HA H 45 3.565 3.506 0.059 1
1 537 . 13 1 1 A 45 45 VAL C C 45 177.079 177.597 -0.518 1
1 538 . 13 1 1 A 45 45 VAL CA C 45 66.523 66.795 -0.272 1
1 539 . 13 1 1 A 45 45 VAL CB C 45 31.323 31.424 -0.101 1
1 542 . 13 1 1 A 45 45 VAL N N 45 120.467 118.135 2.332 1
1 543 . 13 1 1 A 46 46 LYS H H 46 8.270 7.903 0.367 1
1 544 . 13 1 1 A 46 46 LYS HA H 46 3.699 3.903 -0.204 1
1 550 . 13 1 1 A 46 46 LYS C C 46 179.171 178.694 0.477 1
1 551 . 13 1 1 A 46 46 LYS CA C 46 60.606 59.249 1.357 1
1 552 . 13 1 1 A 46 46 LYS CB C 46 32.057 32.416 -0.359 1
1 556 . 13 1 1 A 46 46 LYS N N 46 120.461 120.064 0.397 1
1 557 . 13 1 1 A 47 47 ALA H H 47 7.854 7.588 0.266 1
1 558 . 13 1 1 A 47 47 ALA HA H 47 4.192 4.058 0.134 1
1 562 . 13 1 1 A 47 47 ALA C C 47 179.565 179.953 -0.388 1
1 563 . 13 1 1 A 47 47 ALA CA C 47 54.782 54.857 -0.075 1
1 564 . 13 1 1 A 47 47 ALA CB C 47 18.004 18.406 -0.402 1
1 565 . 13 1 1 A 47 47 ALA N N 47 120.799 120.928 -0.129 1
1 566 . 13 1 1 A 48 48 ALA H H 48 7.931 8.006 -0.075 1
1 567 . 13 1 1 A 48 48 ALA HA H 48 4.232 4.112 0.120 1
1 571 . 13 1 1 A 48 48 ALA C C 48 180.197 179.838 0.359 1
1 572 . 13 1 1 A 48 48 ALA CA C 48 55.028 55.007 0.021 1
1 573 . 13 1 1 A 48 48 ALA CB C 48 17.968 18.558 -0.590 1
1 574 . 13 1 1 A 48 48 ALA N N 48 120.585 120.153 0.432 1
1 575 . 13 1 1 A 49 49 ILE H H 49 8.270 7.738 0.532 1
1 576 . 13 1 1 A 49 49 ILE HA H 49 3.190 3.497 -0.307 1
1 586 . 13 1 1 A 49 49 ILE C C 49 177.762 177.968 -0.206 1
1 587 . 13 1 1 A 49 49 ILE CA C 49 66.396 65.543 0.853 1
1 588 . 13 1 1 A 49 49 ILE CB C 49 38.698 37.656 1.042 1
1 592 . 13 1 1 A 49 49 ILE N N 49 118.535 119.907 -1.372 1
1 593 . 13 1 1 A 50 50 ALA H H 50 7.198 8.382 -1.184 1
1 594 . 13 1 1 A 50 50 ALA HA H 50 4.154 4.014 0.140 1
1 598 . 13 1 1 A 50 50 ALA C C 50 179.323 179.194 0.129 1
1 599 . 13 1 1 A 50 50 ALA CA C 50 54.684 54.768 -0.084 1
1 600 . 13 1 1 A 50 50 ALA CB C 50 18.877 18.171 0.706 1
1 601 . 13 1 1 A 50 50 ALA N N 50 118.853 121.529 -2.676 1
1 602 . 13 1 1 A 51 51 LYS H H 51 8.047 7.375 0.672 1
1 603 . 13 1 1 A 51 51 LYS HA H 51 4.372 4.004 0.368 1
1 609 . 13 1 1 A 51 51 LYS C C 51 177.694 178.090 -0.396 1
1 610 . 13 1 1 A 51 51 LYS CA C 51 57.678 59.431 -1.753 1
1 611 . 13 1 1 A 51 51 LYS CB C 51 34.279 32.669 1.610 1
1 615 . 13 1 1 A 51 51 LYS N N 51 114.606 117.955 -3.349 1
1 616 . 13 1 1 A 52 52 GLN H H 52 8.707 8.552 0.155 1
1 617 . 13 1 1 A 52 52 GLN HA H 52 4.592 4.388 0.204 1
1 624 . 13 1 1 A 52 52 GLN C C 52 176.792 175.959 0.833 1
1 625 . 13 1 1 A 52 52 GLN CA C 52 56.454 57.097 -0.643 1
1 626 . 13 1 1 A 52 52 GLN CB C 52 31.792 30.064 1.728 1
1 629 . 13 1 1 A 52 52 GLN N N 52 115.942 116.544 -0.602 1
1 631 . 13 1 1 A 53 53 GLY H H 53 8.045 7.327 0.718 1
1 632 . 13 1 1 A 53 53 GLY HA2 H 53 4.568 4.035 0.533 1
1 633 . 13 1 1 A 53 53 GLY HA3 H 53 4.066 4.036 0.030 1
1 634 . 13 1 1 A 53 53 GLY C C 53 173.741 174.620 -0.879 1
1 635 . 13 1 1 A 53 53 GLY CA C 53 44.553 45.774 -1.221 1
1 636 . 13 1 1 A 53 53 GLY N N 53 110.313 103.247 7.066 1
1 637 . 13 1 1 A 54 54 ILE H H 54 8.281 8.997 -0.716 1
1 638 . 13 1 1 A 54 54 ILE HA H 54 3.583 3.763 -0.180 1
1 648 . 13 1 1 A 54 54 ILE C C 54 177.313 177.603 -0.290 1
1 649 . 13 1 1 A 54 54 ILE CA C 54 65.253 64.454 0.799 1
1 650 . 13 1 1 A 54 54 ILE CB C 54 38.489 37.571 0.918 1
1 654 . 13 1 1 A 54 54 ILE N N 54 117.579 121.957 -4.378 1
1 655 . 13 1 1 A 55 55 LYS H H 55 8.334 8.265 0.069 1
1 656 . 13 1 1 A 55 55 LYS HA H 55 3.955 4.046 -0.091 1
1 663 . 13 1 1 A 55 55 LYS C C 55 180.026 178.607 1.419 1
1 664 . 13 1 1 A 55 55 LYS CA C 55 60.343 59.171 1.172 1
1 665 . 13 1 1 A 55 55 LYS CB C 55 31.693 32.274 -0.581 1
1 669 . 13 1 1 A 55 55 LYS N N 55 119.039 120.438 -1.399 1
1 670 . 13 1 1 A 56 56 LYS H H 56 7.987 8.031 -0.044 1
1 671 . 13 1 1 A 56 56 LYS HA H 56 4.130 4.068 0.062 1
1 677 . 13 1 1 A 56 56 LYS C C 56 178.612 179.203 -0.591 1
1 678 . 13 1 1 A 56 56 LYS CA C 56 57.715 59.137 -1.422 1
1 679 . 13 1 1 A 56 56 LYS CB C 56 31.714 32.019 -0.305 1
1 683 . 13 1 1 A 56 56 LYS N N 56 119.113 119.930 -0.817 1
1 684 . 13 1 1 A 57 57 ALA H H 57 7.735 8.026 -0.291 1
1 685 . 13 1 1 A 57 57 ALA HA H 57 3.911 3.994 -0.083 1
1 689 . 13 1 1 A 57 57 ALA C C 57 178.713 179.976 -1.263 1
1 690 . 13 1 1 A 57 57 ALA CA C 57 55.568 55.115 0.453 1
1 691 . 13 1 1 A 57 57 ALA CB C 57 19.922 17.863 2.059 1
1 692 . 13 1 1 A 57 57 ALA N N 57 122.357 121.823 0.534 1
1 693 . 13 1 1 A 58 58 ILE H H 58 8.257 7.534 0.723 1
1 694 . 13 1 1 A 58 58 ILE HA H 58 3.452 3.616 -0.164 1
1 704 . 13 1 1 A 58 58 ILE C C 58 177.688 177.806 -0.118 1
1 705 . 13 1 1 A 58 58 ILE CA C 58 66.157 65.278 0.879 1
1 706 . 13 1 1 A 58 58 ILE CB C 58 38.306 37.893 0.413 1
1 710 . 13 1 1 A 58 58 ILE N N 58 117.279 118.846 -1.567 1
1 711 . 13 1 1 A 59 59 GLN H H 59 7.752 7.884 -0.132 1
1 712 . 13 1 1 A 59 59 GLN HA H 59 3.916 4.072 -0.156 1
1 719 . 13 1 1 A 59 59 GLN C C 59 178.976 178.856 0.120 1
1 720 . 13 1 1 A 59 59 GLN CA C 59 59.112 58.751 0.361 1
1 721 . 13 1 1 A 59 59 GLN CB C 59 28.189 28.216 -0.027 1
1 724 . 13 1 1 A 59 59 GLN N N 59 117.533 118.669 -1.136 1
1 18 . 14 1 1 A 2 2 VAL H H 2 8.475 8.046 0.429 1
1 19 . 14 1 1 A 2 2 VAL HA H 2 4.528 3.881 0.647 1
1 27 . 14 1 1 A 2 2 VAL C C 2 181.462 178.049 3.413 1
1 28 . 14 1 1 A 2 2 VAL CA C 2 65.162 66.652 -1.490 1
1 29 . 14 1 1 A 2 2 VAL CB C 2 31.895 31.571 0.324 1
1 32 . 14 1 1 A 2 2 VAL N N 2 121.849 117.206 4.643 1
1 33 . 14 1 1 A 3 3 ALA H H 3 8.256 8.520 -0.264 1
1 34 . 14 1 1 A 3 3 ALA HA H 3 4.173 4.208 -0.035 1
1 38 . 14 1 1 A 3 3 ALA C C 3 179.402 179.676 -0.274 1
1 39 . 14 1 1 A 3 3 ALA CA C 3 54.725 54.988 -0.263 1
1 40 . 14 1 1 A 3 3 ALA CB C 3 17.784 18.201 -0.417 1
1 41 . 14 1 1 A 3 3 ALA N N 3 124.615 121.311 3.304 1
1 42 . 14 1 1 A 4 4 TYR H H 4 7.717 8.257 -0.540 1
1 43 . 14 1 1 A 4 4 TYR HA H 4 4.465 4.281 0.184 1
1 48 . 14 1 1 A 4 4 TYR C C 4 177.710 176.197 1.513 1
1 49 . 14 1 1 A 4 4 TYR CA C 4 58.648 60.673 -2.025 1
1 50 . 14 1 1 A 4 4 TYR CB C 4 38.838 38.747 0.091 1
1 53 . 14 1 1 A 4 4 TYR N N 4 117.777 116.633 1.144 1
1 54 . 14 1 1 A 5 5 GLY H H 5 7.942 8.019 -0.077 1
1 55 . 14 1 1 A 5 5 GLY HA2 H 5 4.373 4.096 0.277 1
1 56 . 14 1 1 A 5 5 GLY HA3 H 5 3.699 4.106 -0.407 1
1 57 . 14 1 1 A 5 5 GLY C C 5 174.273 174.868 -0.595 1
1 58 . 14 1 1 A 5 5 GLY CA C 5 45.019 45.499 -0.480 1
1 59 . 14 1 1 A 5 5 GLY N N 5 105.556 105.943 -0.387 1
1 60 . 14 1 1 A 6 6 ILE H H 6 7.844 7.639 0.205 1
1 61 . 14 1 1 A 6 6 ILE HA H 6 4.135 4.133 0.002 1
1 71 . 14 1 1 A 6 6 ILE C C 6 174.476 176.499 -2.023 1
1 72 . 14 1 1 A 6 6 ILE CA C 6 59.997 61.273 -1.276 1
1 73 . 14 1 1 A 6 6 ILE CB C 6 37.498 38.237 -0.739 1
1 77 . 14 1 1 A 6 6 ILE N N 6 123.172 122.168 1.004 1
1 78 . 14 1 1 A 7 7 ALA H H 7 8.361 8.699 -0.338 1
1 79 . 14 1 1 A 7 7 ALA HA H 7 4.205 4.237 -0.032 1
1 83 . 14 1 1 A 7 7 ALA C C 7 178.710 177.944 0.766 1
1 84 . 14 1 1 A 7 7 ALA CA C 7 52.736 52.587 0.149 1
1 85 . 14 1 1 A 7 7 ALA CB C 7 19.343 19.385 -0.042 1
1 86 . 14 1 1 A 7 7 ALA N N 7 128.201 128.552 -0.351 1
1 87 . 14 1 1 A 8 8 GLN H H 8 8.929 8.808 0.121 1
1 88 . 14 1 1 A 8 8 GLN HA H 8 3.670 3.926 -0.256 1
1 95 . 14 1 1 A 8 8 GLN C C 8 177.362 178.684 -1.322 1
1 96 . 14 1 1 A 8 8 GLN CA C 8 60.337 59.076 1.261 1
1 97 . 14 1 1 A 8 8 GLN CB C 8 28.290 28.372 -0.082 1
1 100 . 14 1 1 A 8 8 GLN N N 8 121.784 122.617 -0.833 1
1 102 . 14 1 1 A 9 9 GLY H H 9 9.034 8.374 0.660 1
1 103 . 14 1 1 A 9 9 GLY HA2 H 9 3.891 3.788 0.103 1
1 104 . 14 1 1 A 9 9 GLY C C 9 177.273 176.673 0.600 1
1 105 . 14 1 1 A 9 9 GLY CA C 9 47.126 47.328 -0.202 1
1 106 . 14 1 1 A 9 9 GLY N N 9 105.262 107.413 -2.151 1
1 107 . 14 1 1 A 10 10 THR H H 10 7.254 8.113 -0.859 1
1 108 . 14 1 1 A 10 10 THR HA H 10 4.010 4.086 -0.076 1
1 113 . 14 1 1 A 10 10 THR C C 10 175.476 176.282 -0.806 1
1 114 . 14 1 1 A 10 10 THR CA C 10 65.939 65.452 0.487 1
1 115 . 14 1 1 A 10 10 THR CB C 10 68.252 68.699 -0.447 1
1 117 . 14 1 1 A 10 10 THR N N 10 118.993 116.836 2.157 1
1 118 . 14 1 1 A 11 11 ALA H H 11 9.152 8.026 1.126 1
1 119 . 14 1 1 A 11 11 ALA HA H 11 3.759 3.964 -0.205 1
1 123 . 14 1 1 A 11 11 ALA C C 11 178.878 180.043 -1.165 1
1 124 . 14 1 1 A 11 11 ALA CA C 11 55.756 55.482 0.274 1
1 125 . 14 1 1 A 11 11 ALA CB C 11 19.820 18.522 1.298 1
1 126 . 14 1 1 A 11 11 ALA N N 11 126.026 122.943 3.083 1
1 127 . 14 1 1 A 12 12 GLU H H 12 8.442 7.508 0.934 1
1 128 . 14 1 1 A 12 12 GLU HA H 12 3.748 4.089 -0.341 1
1 133 . 14 1 1 A 12 12 GLU C C 12 179.309 179.177 0.132 1
1 134 . 14 1 1 A 12 12 GLU CA C 12 59.899 58.575 1.324 1
1 135 . 14 1 1 A 12 12 GLU CB C 12 29.713 29.462 0.251 1
1 137 . 14 1 1 A 12 12 GLU N N 12 115.831 118.755 -2.924 1
1 138 . 14 1 1 A 13 13 LYS H H 13 7.253 7.675 -0.422 1
1 139 . 14 1 1 A 13 13 LYS HA H 13 4.147 4.047 0.100 1
1 145 . 14 1 1 A 13 13 LYS C C 13 178.842 178.695 0.147 1
1 146 . 14 1 1 A 13 13 LYS CA C 13 59.198 59.390 -0.192 1
1 147 . 14 1 1 A 13 13 LYS CB C 13 32.678 32.560 0.118 1
1 150 . 14 1 1 A 13 13 LYS N N 13 119.708 119.834 -0.126 1
1 151 . 14 1 1 A 14 14 VAL H H 14 8.649 8.406 0.243 1
1 152 . 14 1 1 A 14 14 VAL HA H 14 3.368 3.808 -0.440 1
1 160 . 14 1 1 A 14 14 VAL C C 14 177.806 177.850 -0.044 1
1 161 . 14 1 1 A 14 14 VAL CA C 14 67.448 65.240 2.208 1
1 162 . 14 1 1 A 14 14 VAL CB C 14 31.423 31.143 0.280 1
1 165 . 14 1 1 A 14 14 VAL N N 14 119.012 120.385 -1.373 1
1 166 . 14 1 1 A 15 15 VAL H H 15 8.172 7.977 0.195 1
1 167 . 14 1 1 A 15 15 VAL HA H 15 3.418 3.554 -0.136 1
1 175 . 14 1 1 A 15 15 VAL C C 15 177.325 178.491 -1.166 1
1 176 . 14 1 1 A 15 15 VAL CA C 15 67.632 66.912 0.720 1
1 177 . 14 1 1 A 15 15 VAL CB C 15 31.168 31.621 -0.453 1
1 180 . 14 1 1 A 15 15 VAL N N 15 117.226 122.182 -4.956 1
1 181 . 14 1 1 A 16 16 SER H H 16 7.804 7.853 -0.049 1
1 182 . 14 1 1 A 16 16 SER HA H 16 4.232 4.161 0.071 1
1 185 . 14 1 1 A 16 16 SER C C 16 177.563 176.919 0.644 1
1 186 . 14 1 1 A 16 16 SER CA C 16 61.988 61.139 0.849 1
1 187 . 14 1 1 A 16 16 SER CB C 16 62.781 63.106 -0.325 1
1 188 . 14 1 1 A 16 16 SER N N 16 115.358 115.507 -0.149 1
1 189 . 14 1 1 A 17 17 LEU H H 17 8.089 7.988 0.101 1
1 190 . 14 1 1 A 17 17 LEU HA H 17 4.234 4.072 0.162 1
1 200 . 14 1 1 A 17 17 LEU C C 17 179.382 179.549 -0.167 1
1 201 . 14 1 1 A 17 17 LEU CA C 17 57.908 57.691 0.217 1
1 202 . 14 1 1 A 17 17 LEU CB C 17 41.459 41.412 0.047 1
1 206 . 14 1 1 A 17 17 LEU N N 17 121.995 122.074 -0.079 1
1 207 . 14 1 1 A 18 18 ILE H H 18 8.690 8.148 0.542 1
1 208 . 14 1 1 A 18 18 ILE HA H 18 3.799 3.553 0.246 1
1 218 . 14 1 1 A 18 18 ILE C C 18 181.545 177.969 3.576 1
1 219 . 14 1 1 A 18 18 ILE CA C 18 65.849 65.639 0.210 1
1 220 . 14 1 1 A 18 18 ILE CB C 18 37.844 37.866 -0.022 1
1 224 . 14 1 1 A 18 18 ILE N N 18 121.273 120.787 0.486 1
1 225 . 14 1 1 A 19 19 ASN H H 19 8.663 7.928 0.735 1
1 226 . 14 1 1 A 19 19 ASN HA H 19 4.548 4.507 0.041 1
1 231 . 14 1 1 A 19 19 ASN C C 19 176.165 177.094 -0.929 1
1 232 . 14 1 1 A 19 19 ASN CA C 19 55.365 56.124 -0.759 1
1 233 . 14 1 1 A 19 19 ASN CB C 19 38.196 39.194 -0.998 1
1 235 . 14 1 1 A 19 19 ASN N N 19 120.662 119.003 1.659 1
1 237 . 14 1 1 A 20 20 ALA H H 20 7.564 7.581 -0.017 1
1 238 . 14 1 1 A 20 20 ALA HA H 20 4.411 4.273 0.138 1
1 242 . 14 1 1 A 20 20 ALA C C 20 175.860 177.832 -1.972 1
1 243 . 14 1 1 A 20 20 ALA CA C 20 52.478 52.430 0.048 1
1 244 . 14 1 1 A 20 20 ALA CB C 20 18.668 19.636 -0.968 1
1 245 . 14 1 1 A 20 20 ALA N N 20 120.105 118.841 1.264 1
1 246 . 14 1 1 A 21 21 GLY H H 21 7.959 8.258 -0.299 1
1 247 . 14 1 1 A 21 21 GLY HA2 H 21 4.310 3.937 0.373 1
1 248 . 14 1 1 A 21 21 GLY HA3 H 21 3.804 3.943 -0.139 1
1 249 . 14 1 1 A 21 21 GLY C C 21 175.014 174.375 0.639 1
1 250 . 14 1 1 A 21 21 GLY CA C 21 45.286 44.943 0.343 1
1 251 . 14 1 1 A 21 21 GLY N N 21 105.589 106.827 -1.238 1
1 252 . 14 1 1 A 22 22 LEU H H 22 7.529 7.707 -0.178 1
1 253 . 14 1 1 A 22 22 LEU HA H 22 4.462 4.272 0.190 1
1 263 . 14 1 1 A 22 22 LEU C C 22 177.271 176.860 0.411 1
1 264 . 14 1 1 A 22 22 LEU CA C 22 56.388 54.904 1.484 1
1 265 . 14 1 1 A 22 22 LEU CB C 22 42.442 41.824 0.618 1
1 269 . 14 1 1 A 22 22 LEU N N 22 121.608 123.048 -1.440 1
1 270 . 14 1 1 A 23 23 THR H H 23 7.976 8.524 -0.548 1
1 271 . 14 1 1 A 23 23 THR HA H 23 4.335 4.733 -0.398 1
1 276 . 14 1 1 A 23 23 THR C C 23 175.978 176.222 -0.244 1
1 277 . 14 1 1 A 23 23 THR CA C 23 60.185 60.763 -0.578 1
1 278 . 14 1 1 A 23 23 THR CB C 23 71.142 71.265 -0.123 1
1 280 . 14 1 1 A 23 23 THR N N 23 108.756 116.705 -7.949 1
1 281 . 14 1 1 A 24 24 VAL H H 24 8.201 8.909 -0.708 1
1 282 . 14 1 1 A 24 24 VAL HA H 24 3.337 3.781 -0.444 1
1 290 . 14 1 1 A 24 24 VAL C C 24 176.772 178.066 -1.294 1
1 291 . 14 1 1 A 24 24 VAL CA C 24 66.172 65.194 0.978 1
1 292 . 14 1 1 A 24 24 VAL CB C 24 30.752 31.460 -0.708 1
1 295 . 14 1 1 A 24 24 VAL N N 24 119.897 119.525 0.372 1
1 296 . 14 1 1 A 25 25 GLY H H 25 8.328 8.314 0.014 1
1 297 . 14 1 1 A 25 25 GLY HA2 H 25 3.830 3.792 0.038 1
1 298 . 14 1 1 A 25 25 GLY HA3 H 25 3.722 3.801 -0.079 1
1 299 . 14 1 1 A 25 25 GLY C C 25 177.352 176.322 1.030 1
1 300 . 14 1 1 A 25 25 GLY CA C 25 46.824 47.519 -0.695 1
1 301 . 14 1 1 A 25 25 GLY N N 25 106.836 110.394 -3.558 1
1 302 . 14 1 1 A 26 26 SER H H 26 7.626 7.835 -0.209 1
1 303 . 14 1 1 A 26 26 SER HA H 26 4.286 4.154 0.132 1
1 306 . 14 1 1 A 26 26 SER C C 26 176.160 176.079 0.081 1
1 307 . 14 1 1 A 26 26 SER CA C 26 61.829 62.401 -0.572 1
1 308 . 14 1 1 A 26 26 SER CB C 26 63.022 63.027 -0.005 1
1 309 . 14 1 1 A 26 26 SER N N 26 118.367 119.294 -0.927 1
1 310 . 14 1 1 A 27 27 ILE H H 27 8.072 7.450 0.622 1
1 311 . 14 1 1 A 27 27 ILE HA H 27 3.494 3.478 0.016 1
1 321 . 14 1 1 A 27 27 ILE C C 27 177.364 177.919 -0.555 1
1 322 . 14 1 1 A 27 27 ILE CA C 27 66.333 65.126 1.207 1
1 323 . 14 1 1 A 27 27 ILE CB C 27 38.065 37.671 0.394 1
1 327 . 14 1 1 A 27 27 ILE N N 27 122.663 120.719 1.944 1
1 328 . 14 1 1 A 28 28 ILE H H 28 8.317 7.855 0.462 1
1 329 . 14 1 1 A 28 28 ILE HA H 28 3.790 3.680 0.110 1
1 339 . 14 1 1 A 28 28 ILE C C 28 179.278 178.236 1.042 1
1 340 . 14 1 1 A 28 28 ILE CA C 28 65.107 65.174 -0.067 1
1 341 . 14 1 1 A 28 28 ILE CB C 28 38.185 37.406 0.779 1
1 345 . 14 1 1 A 28 28 ILE N N 28 119.722 120.451 -0.729 1
1 346 . 14 1 1 A 29 29 SER H H 29 7.703 7.469 0.234 1
1 347 . 14 1 1 A 29 29 SER HA H 29 4.185 4.188 -0.003 1
1 349 . 14 1 1 A 29 29 SER C C 29 176.198 177.213 -1.015 1
1 350 . 14 1 1 A 29 29 SER CA C 29 61.588 61.188 0.400 1
1 351 . 14 1 1 A 29 29 SER CB C 29 63.021 62.992 0.029 1
1 352 . 14 1 1 A 29 29 SER N N 29 114.967 116.369 -1.402 1
1 353 . 14 1 1 A 30 30 ILE H H 30 7.798 7.920 -0.122 1
1 354 . 14 1 1 A 30 30 ILE HA H 30 3.884 3.798 0.086 1
1 364 . 14 1 1 A 30 30 ILE C C 30 177.721 178.561 -0.840 1
1 365 . 14 1 1 A 30 30 ILE CA C 30 64.231 64.136 0.095 1
1 366 . 14 1 1 A 30 30 ILE CB C 30 39.382 37.394 1.988 1
1 370 . 14 1 1 A 30 30 ILE N N 30 120.517 122.013 -1.496 1
1 371 . 14 1 1 A 31 31 LEU H H 31 8.279 7.497 0.782 1
1 372 . 14 1 1 A 31 31 LEU HA H 31 4.362 4.330 0.032 1
1 382 . 14 1 1 A 31 31 LEU C C 31 178.475 176.597 1.878 1
1 383 . 14 1 1 A 31 31 LEU CA C 31 55.587 55.695 -0.108 1
1 384 . 14 1 1 A 31 31 LEU CB C 31 39.699 42.765 -3.066 1
1 388 . 14 1 1 A 31 31 LEU N N 31 117.941 121.130 -3.189 1
1 389 . 14 1 1 A 32 32 GLY H H 32 8.219 7.731 0.488 1
1 390 . 14 1 1 A 32 32 GLY HA2 H 32 4.123 3.990 0.133 1
1 391 . 14 1 1 A 32 32 GLY HA3 H 32 3.878 3.992 -0.114 1
1 392 . 14 1 1 A 32 32 GLY C C 32 175.512 175.460 0.052 1
1 393 . 14 1 1 A 32 32 GLY CA C 32 45.604 45.221 0.383 1
1 394 . 14 1 1 A 32 32 GLY N N 32 107.591 106.320 1.271 1
1 395 . 14 1 1 A 33 33 GLY H H 33 8.667 8.248 0.419 1
1 396 . 14 1 1 A 33 33 GLY HA2 H 33 4.062 3.955 0.107 1
1 397 . 14 1 1 A 33 33 GLY HA3 H 33 3.879 3.959 -0.080 1
1 398 . 14 1 1 A 33 33 GLY C C 33 175.510 175.358 0.152 1
1 399 . 14 1 1 A 33 33 GLY CA C 33 46.603 45.354 1.249 1
1 400 . 14 1 1 A 33 33 GLY N N 33 109.700 109.429 0.271 1
1 401 . 14 1 1 A 34 34 VAL H H 34 8.049 8.031 0.018 1
1 402 . 14 1 1 A 34 34 VAL HA H 34 4.309 3.984 0.325 1
1 410 . 14 1 1 A 34 34 VAL C C 34 176.726 177.258 -0.532 1
1 411 . 14 1 1 A 34 34 VAL CA C 34 62.780 64.867 -2.087 1
1 412 . 14 1 1 A 34 34 VAL CB C 34 32.022 31.576 0.446 1
1 415 . 14 1 1 A 34 34 VAL N N 34 117.737 119.000 -1.263 1
1 416 . 14 1 1 A 35 35 THR H H 35 8.141 7.646 0.495 1
1 417 . 14 1 1 A 35 35 THR HA H 35 4.239 4.142 0.097 1
1 422 . 14 1 1 A 35 35 THR C C 35 174.905 174.829 0.076 1
1 423 . 14 1 1 A 35 35 THR CA C 35 62.571 65.102 -2.531 1
1 424 . 14 1 1 A 35 35 THR CB C 35 69.247 69.276 -0.029 1
1 426 . 14 1 1 A 35 35 THR N N 35 111.884 112.027 -0.143 1
1 427 . 14 1 1 A 36 36 VAL H H 36 7.560 8.077 -0.517 1
1 428 . 14 1 1 A 36 36 VAL HA H 36 3.940 3.766 0.174 1
1 436 . 14 1 1 A 36 36 VAL C C 36 177.003 175.848 1.155 1
1 437 . 14 1 1 A 36 36 VAL CA C 36 64.440 62.995 1.445 1
1 438 . 14 1 1 A 36 36 VAL CB C 36 31.926 30.210 1.716 1
1 441 . 14 1 1 A 36 36 VAL N N 36 120.063 116.930 3.133 1
1 442 . 14 1 1 A 37 37 GLY H H 37 8.427 8.381 0.046 1
1 443 . 14 1 1 A 37 37 GLY HA2 H 37 4.143 4.011 0.132 1
1 444 . 14 1 1 A 37 37 GLY HA3 H 37 4.077 4.012 0.065 1
1 445 . 14 1 1 A 37 37 GLY C C 37 176.084 176.349 -0.265 1
1 446 . 14 1 1 A 37 37 GLY CA C 37 45.593 45.463 0.130 1
1 447 . 14 1 1 A 37 37 GLY N N 37 110.570 107.849 2.721 1
1 448 . 14 1 1 A 38 38 LEU H H 38 8.157 8.236 -0.079 1
1 449 . 14 1 1 A 38 38 LEU HA H 38 4.094 4.173 -0.079 1
1 458 . 14 1 1 A 38 38 LEU C C 38 177.948 179.244 -1.296 1
1 459 . 14 1 1 A 38 38 LEU CA C 38 56.472 56.747 -0.275 1
1 460 . 14 1 1 A 38 38 LEU CB C 38 42.644 41.548 1.096 1
1 464 . 14 1 1 A 38 38 LEU N N 38 121.095 123.970 -2.875 1
1 465 . 14 1 1 A 39 39 SER H H 39 8.417 8.289 0.128 1
1 466 . 14 1 1 A 39 39 SER HA H 39 3.921 4.258 -0.337 1
1 469 . 14 1 1 A 39 39 SER C C 39 176.742 176.931 -0.189 1
1 470 . 14 1 1 A 39 39 SER CA C 39 62.250 61.337 0.913 1
1 471 . 14 1 1 A 39 39 SER CB C 39 62.228 62.508 -0.280 1
1 472 . 14 1 1 A 39 39 SER N N 39 113.122 113.503 -0.381 1
1 473 . 14 1 1 A 40 40 GLY H H 40 8.169 8.393 -0.224 1
1 474 . 14 1 1 A 40 40 GLY HA2 H 40 4.108 3.933 0.175 1
1 475 . 14 1 1 A 40 40 GLY HA3 H 40 3.990 3.938 0.052 1
1 476 . 14 1 1 A 40 40 GLY C C 40 175.225 175.309 -0.084 1
1 477 . 14 1 1 A 40 40 GLY CA C 40 46.354 46.492 -0.138 1
1 478 . 14 1 1 A 40 40 GLY N N 40 107.856 109.798 -1.942 1
1 479 . 14 1 1 A 41 41 VAL H H 41 7.321 8.001 -0.680 1
1 480 . 14 1 1 A 41 41 VAL HA H 41 4.482 3.990 0.492 1
1 488 . 14 1 1 A 41 41 VAL C C 41 176.112 177.750 -1.638 1
1 489 . 14 1 1 A 41 41 VAL CA C 41 61.490 64.995 -3.505 1
1 490 . 14 1 1 A 41 41 VAL CB C 41 33.211 31.872 1.339 1
1 493 . 14 1 1 A 41 41 VAL N N 41 114.922 120.909 -5.987 1
1 494 . 14 1 1 A 42 42 PHE H H 42 7.832 8.443 -0.611 1
1 495 . 14 1 1 A 42 42 PHE HA H 42 3.890 4.122 -0.232 1
1 501 . 14 1 1 A 42 42 PHE C C 42 176.656 177.493 -0.837 1
1 502 . 14 1 1 A 42 42 PHE CA C 42 62.384 61.870 0.514 1
1 503 . 14 1 1 A 42 42 PHE CB C 42 39.677 39.242 0.435 1
1 507 . 14 1 1 A 42 42 PHE N N 42 122.726 121.123 1.603 1
1 508 . 14 1 1 A 43 43 THR H H 43 8.606 8.045 0.561 1
1 509 . 14 1 1 A 43 43 THR HA H 43 3.771 3.952 -0.181 1
1 514 . 14 1 1 A 43 43 THR C C 43 176.755 177.268 -0.513 1
1 515 . 14 1 1 A 43 43 THR CA C 43 66.787 65.681 1.106 1
1 516 . 14 1 1 A 43 43 THR CB C 43 68.302 68.920 -0.618 1
1 518 . 14 1 1 A 43 43 THR N N 43 113.613 113.843 -0.230 1
1 519 . 14 1 1 A 44 44 ALA H H 44 7.860 7.830 0.030 1
1 520 . 14 1 1 A 44 44 ALA HA H 44 4.203 4.075 0.128 1
1 524 . 14 1 1 A 44 44 ALA C C 44 181.044 180.383 0.661 1
1 525 . 14 1 1 A 44 44 ALA CA C 44 54.896 55.091 -0.195 1
1 526 . 14 1 1 A 44 44 ALA CB C 44 17.985 18.251 -0.266 1
1 527 . 14 1 1 A 44 44 ALA N N 44 125.406 123.474 1.932 1
1 528 . 14 1 1 A 45 45 VAL H H 45 8.391 7.506 0.885 1
1 529 . 14 1 1 A 45 45 VAL HA H 45 3.565 3.326 0.239 1
1 537 . 14 1 1 A 45 45 VAL C C 45 177.079 177.341 -0.262 1
1 538 . 14 1 1 A 45 45 VAL CA C 45 66.523 66.768 -0.245 1
1 539 . 14 1 1 A 45 45 VAL CB C 45 31.323 31.311 0.012 1
1 542 . 14 1 1 A 45 45 VAL N N 45 120.467 118.036 2.431 1
1 543 . 14 1 1 A 46 46 LYS H H 46 8.270 8.110 0.160 1
1 544 . 14 1 1 A 46 46 LYS HA H 46 3.699 3.757 -0.058 1
1 550 . 14 1 1 A 46 46 LYS C C 46 179.171 178.660 0.511 1
1 551 . 14 1 1 A 46 46 LYS CA C 46 60.606 59.128 1.478 1
1 552 . 14 1 1 A 46 46 LYS CB C 46 32.057 32.260 -0.203 1
1 556 . 14 1 1 A 46 46 LYS N N 46 120.461 119.988 0.473 1
1 557 . 14 1 1 A 47 47 ALA H H 47 7.854 7.570 0.284 1
1 558 . 14 1 1 A 47 47 ALA HA H 47 4.192 4.032 0.160 1
1 562 . 14 1 1 A 47 47 ALA C C 47 179.565 179.803 -0.238 1
1 563 . 14 1 1 A 47 47 ALA CA C 47 54.782 54.825 -0.043 1
1 564 . 14 1 1 A 47 47 ALA CB C 47 18.004 18.313 -0.309 1
1 565 . 14 1 1 A 47 47 ALA N N 47 120.799 120.800 -0.001 1
1 566 . 14 1 1 A 48 48 ALA H H 48 7.931 7.567 0.364 1
1 567 . 14 1 1 A 48 48 ALA HA H 48 4.232 4.056 0.176 1
1 571 . 14 1 1 A 48 48 ALA C C 48 180.197 179.739 0.458 1
1 572 . 14 1 1 A 48 48 ALA CA C 48 55.028 55.303 -0.275 1
1 573 . 14 1 1 A 48 48 ALA CB C 48 17.968 18.053 -0.085 1
1 574 . 14 1 1 A 48 48 ALA N N 48 120.585 120.320 0.265 1
1 575 . 14 1 1 A 49 49 ILE H H 49 8.270 7.585 0.685 1
1 576 . 14 1 1 A 49 49 ILE HA H 49 3.190 3.500 -0.310 1
1 586 . 14 1 1 A 49 49 ILE C C 49 177.762 177.845 -0.083 1
1 587 . 14 1 1 A 49 49 ILE CA C 49 66.396 65.434 0.962 1
1 588 . 14 1 1 A 49 49 ILE CB C 49 38.698 37.633 1.065 1
1 592 . 14 1 1 A 49 49 ILE N N 49 118.535 119.059 -0.524 1
1 593 . 14 1 1 A 50 50 ALA H H 50 7.198 8.312 -1.114 1
1 594 . 14 1 1 A 50 50 ALA HA H 50 4.154 4.054 0.100 1
1 598 . 14 1 1 A 50 50 ALA C C 50 179.323 179.236 0.087 1
1 599 . 14 1 1 A 50 50 ALA CA C 50 54.684 54.685 -0.001 1
1 600 . 14 1 1 A 50 50 ALA CB C 50 18.877 18.217 0.660 1
1 601 . 14 1 1 A 50 50 ALA N N 50 118.853 121.683 -2.830 1
1 602 . 14 1 1 A 51 51 LYS H H 51 8.047 7.489 0.558 1
1 603 . 14 1 1 A 51 51 LYS HA H 51 4.372 4.035 0.337 1
1 609 . 14 1 1 A 51 51 LYS C C 51 177.694 178.531 -0.837 1
1 610 . 14 1 1 A 51 51 LYS CA C 51 57.678 59.355 -1.677 1
1 611 . 14 1 1 A 51 51 LYS CB C 51 34.279 32.550 1.729 1
1 615 . 14 1 1 A 51 51 LYS N N 51 114.606 118.379 -3.773 1
1 616 . 14 1 1 A 52 52 GLN H H 52 8.707 8.208 0.499 1
1 617 . 14 1 1 A 52 52 GLN HA H 52 4.592 4.364 0.228 1
1 624 . 14 1 1 A 52 52 GLN C C 52 176.792 176.078 0.714 1
1 625 . 14 1 1 A 52 52 GLN CA C 52 56.454 57.264 -0.810 1
1 626 . 14 1 1 A 52 52 GLN CB C 52 31.792 29.367 2.425 1
1 629 . 14 1 1 A 52 52 GLN N N 52 115.942 116.505 -0.563 1
1 631 . 14 1 1 A 53 53 GLY H H 53 8.045 7.302 0.743 1
1 632 . 14 1 1 A 53 53 GLY HA2 H 53 4.568 4.055 0.513 1
1 633 . 14 1 1 A 53 53 GLY HA3 H 53 4.066 4.057 0.009 1
1 634 . 14 1 1 A 53 53 GLY C C 53 173.741 174.622 -0.881 1
1 635 . 14 1 1 A 53 53 GLY CA C 53 44.553 45.833 -1.280 1
1 636 . 14 1 1 A 53 53 GLY N N 53 110.313 103.142 7.171 1
1 637 . 14 1 1 A 54 54 ILE H H 54 8.281 8.673 -0.392 1
1 638 . 14 1 1 A 54 54 ILE HA H 54 3.583 3.744 -0.161 1
1 648 . 14 1 1 A 54 54 ILE C C 54 177.313 177.895 -0.582 1
1 649 . 14 1 1 A 54 54 ILE CA C 54 65.253 64.344 0.909 1
1 650 . 14 1 1 A 54 54 ILE CB C 54 38.489 37.664 0.825 1
1 654 . 14 1 1 A 54 54 ILE N N 54 117.579 119.382 -1.803 1
1 655 . 14 1 1 A 55 55 LYS H H 55 8.334 8.246 0.088 1
1 656 . 14 1 1 A 55 55 LYS HA H 55 3.955 4.036 -0.081 1
1 663 . 14 1 1 A 55 55 LYS C C 55 180.026 178.567 1.459 1
1 664 . 14 1 1 A 55 55 LYS CA C 55 60.343 59.174 1.169 1
1 665 . 14 1 1 A 55 55 LYS CB C 55 31.693 32.309 -0.616 1
1 669 . 14 1 1 A 55 55 LYS N N 55 119.039 122.731 -3.692 1
1 670 . 14 1 1 A 56 56 LYS H H 56 7.987 7.773 0.214 1
1 671 . 14 1 1 A 56 56 LYS HA H 56 4.130 4.023 0.107 1
1 677 . 14 1 1 A 56 56 LYS C C 56 178.612 179.178 -0.566 1
1 678 . 14 1 1 A 56 56 LYS CA C 56 57.715 59.260 -1.545 1
1 679 . 14 1 1 A 56 56 LYS CB C 56 31.714 32.095 -0.381 1
1 683 . 14 1 1 A 56 56 LYS N N 56 119.113 119.841 -0.728 1
1 684 . 14 1 1 A 57 57 ALA H H 57 7.735 7.860 -0.125 1
1 685 . 14 1 1 A 57 57 ALA HA H 57 3.911 3.871 0.040 1
1 689 . 14 1 1 A 57 57 ALA C C 57 178.713 180.180 -1.467 1
1 690 . 14 1 1 A 57 57 ALA CA C 57 55.568 55.067 0.501 1
1 691 . 14 1 1 A 57 57 ALA CB C 57 19.922 18.003 1.919 1
1 692 . 14 1 1 A 57 57 ALA N N 57 122.357 121.626 0.731 1
1 693 . 14 1 1 A 58 58 ILE H H 58 8.257 7.634 0.623 1
1 694 . 14 1 1 A 58 58 ILE HA H 58 3.452 3.615 -0.163 1
1 704 . 14 1 1 A 58 58 ILE C C 58 177.688 177.869 -0.181 1
1 705 . 14 1 1 A 58 58 ILE CA C 58 66.157 65.237 0.920 1
1 706 . 14 1 1 A 58 58 ILE CB C 58 38.306 37.873 0.433 1
1 710 . 14 1 1 A 58 58 ILE N N 58 117.279 118.779 -1.500 1
1 711 . 14 1 1 A 59 59 GLN H H 59 7.752 8.384 -0.632 1
1 712 . 14 1 1 A 59 59 GLN HA H 59 3.916 4.132 -0.216 1
1 719 . 14 1 1 A 59 59 GLN C C 59 178.976 178.667 0.309 1
1 720 . 14 1 1 A 59 59 GLN CA C 59 59.112 58.558 0.554 1
1 721 . 14 1 1 A 59 59 GLN CB C 59 28.189 28.119 0.070 1
1 724 . 14 1 1 A 59 59 GLN N N 59 117.533 119.046 -1.513 1
1 18 . 15 1 1 A 2 2 VAL H H 2 8.475 8.081 0.394 1
1 19 . 15 1 1 A 2 2 VAL HA H 2 4.528 3.943 0.585 1
1 27 . 15 1 1 A 2 2 VAL C C 2 181.462 178.078 3.384 1
1 28 . 15 1 1 A 2 2 VAL CA C 2 65.162 66.566 -1.404 1
1 29 . 15 1 1 A 2 2 VAL CB C 2 31.895 31.629 0.266 1
1 32 . 15 1 1 A 2 2 VAL N N 2 121.849 117.101 4.748 1
1 33 . 15 1 1 A 3 3 ALA H H 3 8.256 8.502 -0.246 1
1 34 . 15 1 1 A 3 3 ALA HA H 3 4.173 4.141 0.032 1
1 38 . 15 1 1 A 3 3 ALA C C 3 179.402 179.525 -0.123 1
1 39 . 15 1 1 A 3 3 ALA CA C 3 54.725 54.974 -0.249 1
1 40 . 15 1 1 A 3 3 ALA CB C 3 17.784 18.180 -0.396 1
1 41 . 15 1 1 A 3 3 ALA N N 3 124.615 121.663 2.952 1
1 42 . 15 1 1 A 4 4 TYR H H 4 7.717 8.207 -0.490 1
1 43 . 15 1 1 A 4 4 TYR HA H 4 4.465 4.195 0.270 1
1 48 . 15 1 1 A 4 4 TYR C C 4 177.710 175.784 1.926 1
1 49 . 15 1 1 A 4 4 TYR CA C 4 58.648 61.655 -3.007 1
1 50 . 15 1 1 A 4 4 TYR CB C 4 38.838 39.406 -0.568 1
1 53 . 15 1 1 A 4 4 TYR N N 4 117.777 120.292 -2.515 1
1 54 . 15 1 1 A 5 5 GLY H H 5 7.942 8.019 -0.077 1
1 55 . 15 1 1 A 5 5 GLY HA2 H 5 4.373 4.112 0.261 1
1 56 . 15 1 1 A 5 5 GLY HA3 H 5 3.699 4.138 -0.439 1
1 57 . 15 1 1 A 5 5 GLY C C 5 174.273 174.861 -0.588 1
1 58 . 15 1 1 A 5 5 GLY CA C 5 45.019 45.512 -0.493 1
1 59 . 15 1 1 A 5 5 GLY N N 5 105.556 105.900 -0.344 1
1 60 . 15 1 1 A 6 6 ILE H H 6 7.844 7.755 0.089 1
1 61 . 15 1 1 A 6 6 ILE HA H 6 4.135 4.096 0.039 1
1 71 . 15 1 1 A 6 6 ILE C C 6 174.476 176.441 -1.965 1
1 72 . 15 1 1 A 6 6 ILE CA C 6 59.997 61.427 -1.430 1
1 73 . 15 1 1 A 6 6 ILE CB C 6 37.498 37.995 -0.497 1
1 77 . 15 1 1 A 6 6 ILE N N 6 123.172 122.348 0.824 1
1 78 . 15 1 1 A 7 7 ALA H H 7 8.361 8.687 -0.326 1
1 79 . 15 1 1 A 7 7 ALA HA H 7 4.205 4.213 -0.008 1
1 83 . 15 1 1 A 7 7 ALA C C 7 178.710 178.125 0.585 1
1 84 . 15 1 1 A 7 7 ALA CA C 7 52.736 52.893 -0.157 1
1 85 . 15 1 1 A 7 7 ALA CB C 7 19.343 19.471 -0.128 1
1 86 . 15 1 1 A 7 7 ALA N N 7 128.201 129.016 -0.815 1
1 87 . 15 1 1 A 8 8 GLN H H 8 8.929 8.779 0.150 1
1 88 . 15 1 1 A 8 8 GLN HA H 8 3.670 3.958 -0.288 1
1 95 . 15 1 1 A 8 8 GLN C C 8 177.362 178.723 -1.361 1
1 96 . 15 1 1 A 8 8 GLN CA C 8 60.337 59.075 1.262 1
1 97 . 15 1 1 A 8 8 GLN CB C 8 28.290 28.208 0.082 1
1 100 . 15 1 1 A 8 8 GLN N N 8 121.784 123.780 -1.996 1
1 102 . 15 1 1 A 9 9 GLY H H 9 9.034 8.388 0.646 1
1 103 . 15 1 1 A 9 9 GLY HA2 H 9 3.891 3.791 0.100 1
1 104 . 15 1 1 A 9 9 GLY C C 9 177.273 176.689 0.584 1
1 105 . 15 1 1 A 9 9 GLY CA C 9 47.126 47.245 -0.119 1
1 106 . 15 1 1 A 9 9 GLY N N 9 105.262 107.473 -2.211 1
1 107 . 15 1 1 A 10 10 THR H H 10 7.254 8.115 -0.861 1
1 108 . 15 1 1 A 10 10 THR HA H 10 4.010 4.083 -0.073 1
1 113 . 15 1 1 A 10 10 THR C C 10 175.476 176.109 -0.633 1
1 114 . 15 1 1 A 10 10 THR CA C 10 65.939 65.115 0.824 1
1 115 . 15 1 1 A 10 10 THR CB C 10 68.252 68.580 -0.328 1
1 117 . 15 1 1 A 10 10 THR N N 10 118.993 116.883 2.110 1
1 118 . 15 1 1 A 11 11 ALA H H 11 9.152 8.565 0.587 1
1 119 . 15 1 1 A 11 11 ALA HA H 11 3.759 4.023 -0.264 1
1 123 . 15 1 1 A 11 11 ALA C C 11 178.878 179.384 -0.506 1
1 124 . 15 1 1 A 11 11 ALA CA C 11 55.756 55.252 0.504 1
1 125 . 15 1 1 A 11 11 ALA CB C 11 19.820 18.432 1.388 1
1 126 . 15 1 1 A 11 11 ALA N N 11 126.026 123.308 2.718 1
1 127 . 15 1 1 A 12 12 GLU H H 12 8.442 8.029 0.413 1
1 128 . 15 1 1 A 12 12 GLU HA H 12 3.748 4.022 -0.274 1
1 133 . 15 1 1 A 12 12 GLU C C 12 179.309 178.941 0.368 1
1 134 . 15 1 1 A 12 12 GLU CA C 12 59.899 59.703 0.196 1
1 135 . 15 1 1 A 12 12 GLU CB C 12 29.713 29.164 0.549 1
1 137 . 15 1 1 A 12 12 GLU N N 12 115.831 118.793 -2.962 1
1 138 . 15 1 1 A 13 13 LYS H H 13 7.253 8.056 -0.803 1
1 139 . 15 1 1 A 13 13 LYS HA H 13 4.147 4.091 0.056 1
1 145 . 15 1 1 A 13 13 LYS C C 13 178.842 179.027 -0.185 1
1 146 . 15 1 1 A 13 13 LYS CA C 13 59.198 59.252 -0.054 1
1 147 . 15 1 1 A 13 13 LYS CB C 13 32.678 31.881 0.797 1
1 150 . 15 1 1 A 13 13 LYS N N 13 119.708 118.642 1.066 1
1 151 . 15 1 1 A 14 14 VAL H H 14 8.649 8.055 0.594 1
1 152 . 15 1 1 A 14 14 VAL HA H 14 3.368 3.738 -0.370 1
1 160 . 15 1 1 A 14 14 VAL C C 14 177.806 178.191 -0.385 1
1 161 . 15 1 1 A 14 14 VAL CA C 14 67.448 65.863 1.585 1
1 162 . 15 1 1 A 14 14 VAL CB C 14 31.423 32.002 -0.579 1
1 165 . 15 1 1 A 14 14 VAL N N 14 119.012 120.695 -1.683 1
1 166 . 15 1 1 A 15 15 VAL H H 15 8.172 8.129 0.043 1
1 167 . 15 1 1 A 15 15 VAL HA H 15 3.418 3.562 -0.144 1
1 175 . 15 1 1 A 15 15 VAL C C 15 177.325 178.401 -1.076 1
1 176 . 15 1 1 A 15 15 VAL CA C 15 67.632 66.985 0.647 1
1 177 . 15 1 1 A 15 15 VAL CB C 15 31.168 31.669 -0.501 1
1 180 . 15 1 1 A 15 15 VAL N N 15 117.226 121.023 -3.797 1
1 181 . 15 1 1 A 16 16 SER H H 16 7.804 8.224 -0.420 1
1 182 . 15 1 1 A 16 16 SER HA H 16 4.232 4.129 0.103 1
1 185 . 15 1 1 A 16 16 SER C C 16 177.563 176.982 0.581 1
1 186 . 15 1 1 A 16 16 SER CA C 16 61.988 61.199 0.789 1
1 187 . 15 1 1 A 16 16 SER CB C 16 62.781 63.106 -0.325 1
1 188 . 15 1 1 A 16 16 SER N N 16 115.358 115.239 0.119 1
1 189 . 15 1 1 A 17 17 LEU H H 17 8.089 8.041 0.048 1
1 190 . 15 1 1 A 17 17 LEU HA H 17 4.234 4.123 0.111 1
1 200 . 15 1 1 A 17 17 LEU C C 17 179.382 179.557 -0.175 1
1 201 . 15 1 1 A 17 17 LEU CA C 17 57.908 57.774 0.134 1
1 202 . 15 1 1 A 17 17 LEU CB C 17 41.459 41.358 0.101 1
1 206 . 15 1 1 A 17 17 LEU N N 17 121.995 122.372 -0.377 1
1 207 . 15 1 1 A 18 18 ILE H H 18 8.690 8.101 0.589 1
1 208 . 15 1 1 A 18 18 ILE HA H 18 3.799 3.548 0.251 1
1 218 . 15 1 1 A 18 18 ILE C C 18 181.545 178.246 3.299 1
1 219 . 15 1 1 A 18 18 ILE CA C 18 65.849 65.736 0.113 1
1 220 . 15 1 1 A 18 18 ILE CB C 18 37.844 38.044 -0.200 1
1 224 . 15 1 1 A 18 18 ILE N N 18 121.273 120.807 0.466 1
1 225 . 15 1 1 A 19 19 ASN H H 19 8.663 8.190 0.473 1
1 226 . 15 1 1 A 19 19 ASN HA H 19 4.548 4.457 0.091 1
1 231 . 15 1 1 A 19 19 ASN C C 19 176.165 177.696 -1.531 1
1 232 . 15 1 1 A 19 19 ASN CA C 19 55.365 56.229 -0.864 1
1 233 . 15 1 1 A 19 19 ASN CB C 19 38.196 38.086 0.110 1
1 235 . 15 1 1 A 19 19 ASN N N 19 120.662 118.639 2.023 1
1 237 . 15 1 1 A 20 20 ALA H H 20 7.564 7.533 0.031 1
1 238 . 15 1 1 A 20 20 ALA HA H 20 4.411 4.247 0.164 1
1 242 . 15 1 1 A 20 20 ALA C C 20 175.860 177.888 -2.028 1
1 243 . 15 1 1 A 20 20 ALA CA C 20 52.478 52.429 0.049 1
1 244 . 15 1 1 A 20 20 ALA CB C 20 18.668 19.625 -0.957 1
1 245 . 15 1 1 A 20 20 ALA N N 20 120.105 118.826 1.279 1
1 246 . 15 1 1 A 21 21 GLY H H 21 7.959 8.318 -0.359 1
1 247 . 15 1 1 A 21 21 GLY HA2 H 21 4.310 3.975 0.335 1
1 248 . 15 1 1 A 21 21 GLY HA3 H 21 3.804 3.982 -0.178 1
1 249 . 15 1 1 A 21 21 GLY C C 21 175.014 174.441 0.573 1
1 250 . 15 1 1 A 21 21 GLY CA C 21 45.286 45.441 -0.155 1
1 251 . 15 1 1 A 21 21 GLY N N 21 105.589 106.754 -1.165 1
1 252 . 15 1 1 A 22 22 LEU H H 22 7.529 8.011 -0.482 1
1 253 . 15 1 1 A 22 22 LEU HA H 22 4.462 4.372 0.090 1
1 263 . 15 1 1 A 22 22 LEU C C 22 177.271 176.969 0.302 1
1 264 . 15 1 1 A 22 22 LEU CA C 22 56.388 54.570 1.818 1
1 265 . 15 1 1 A 22 22 LEU CB C 22 42.442 42.121 0.321 1
1 269 . 15 1 1 A 22 22 LEU N N 22 121.608 122.672 -1.064 1
1 270 . 15 1 1 A 23 23 THR H H 23 7.976 8.586 -0.610 1
1 271 . 15 1 1 A 23 23 THR HA H 23 4.335 4.845 -0.510 1
1 276 . 15 1 1 A 23 23 THR C C 23 175.978 175.603 0.375 1
1 277 . 15 1 1 A 23 23 THR CA C 23 60.185 60.654 -0.469 1
1 278 . 15 1 1 A 23 23 THR CB C 23 71.142 71.295 -0.153 1
1 280 . 15 1 1 A 23 23 THR N N 23 108.756 115.004 -6.248 1
1 281 . 15 1 1 A 24 24 VAL H H 24 8.201 8.730 -0.529 1
1 282 . 15 1 1 A 24 24 VAL HA H 24 3.337 3.687 -0.350 1
1 290 . 15 1 1 A 24 24 VAL C C 24 176.772 177.853 -1.081 1
1 291 . 15 1 1 A 24 24 VAL CA C 24 66.172 65.920 0.252 1
1 292 . 15 1 1 A 24 24 VAL CB C 24 30.752 31.581 -0.829 1
1 295 . 15 1 1 A 24 24 VAL N N 24 119.897 122.402 -2.505 1
1 296 . 15 1 1 A 25 25 GLY H H 25 8.328 8.259 0.069 1
1 297 . 15 1 1 A 25 25 GLY HA2 H 25 3.830 3.755 0.075 1
1 298 . 15 1 1 A 25 25 GLY HA3 H 25 3.722 3.767 -0.045 1
1 299 . 15 1 1 A 25 25 GLY C C 25 177.352 175.748 1.604 1
1 300 . 15 1 1 A 25 25 GLY CA C 25 46.824 47.517 -0.693 1
1 301 . 15 1 1 A 25 25 GLY N N 25 106.836 109.460 -2.624 1
1 302 . 15 1 1 A 26 26 SER H H 26 7.626 8.008 -0.382 1
1 303 . 15 1 1 A 26 26 SER HA H 26 4.286 4.160 0.126 1
1 306 . 15 1 1 A 26 26 SER C C 26 176.160 177.293 -1.133 1
1 307 . 15 1 1 A 26 26 SER CA C 26 61.829 61.090 0.739 1
1 308 . 15 1 1 A 26 26 SER CB C 26 63.022 62.848 0.174 1
1 309 . 15 1 1 A 26 26 SER N N 26 118.367 116.406 1.961 1
1 310 . 15 1 1 A 27 27 ILE H H 27 8.072 7.195 0.877 1
1 311 . 15 1 1 A 27 27 ILE HA H 27 3.494 3.538 -0.044 1
1 321 . 15 1 1 A 27 27 ILE C C 27 177.364 178.098 -0.734 1
1 322 . 15 1 1 A 27 27 ILE CA C 27 66.333 64.530 1.803 1
1 323 . 15 1 1 A 27 27 ILE CB C 27 38.065 37.077 0.988 1
1 327 . 15 1 1 A 27 27 ILE N N 27 122.663 121.786 0.877 1
1 328 . 15 1 1 A 28 28 ILE H H 28 8.317 7.879 0.438 1
1 329 . 15 1 1 A 28 28 ILE HA H 28 3.790 3.652 0.138 1
1 339 . 15 1 1 A 28 28 ILE C C 28 179.278 178.176 1.102 1
1 340 . 15 1 1 A 28 28 ILE CA C 28 65.107 65.152 -0.045 1
1 341 . 15 1 1 A 28 28 ILE CB C 28 38.185 37.781 0.404 1
1 345 . 15 1 1 A 28 28 ILE N N 28 119.722 121.682 -1.960 1
1 346 . 15 1 1 A 29 29 SER H H 29 7.703 7.486 0.217 1
1 347 . 15 1 1 A 29 29 SER HA H 29 4.185 4.191 -0.006 1
1 349 . 15 1 1 A 29 29 SER C C 29 176.198 177.324 -1.126 1
1 350 . 15 1 1 A 29 29 SER CA C 29 61.588 61.147 0.441 1
1 351 . 15 1 1 A 29 29 SER CB C 29 63.021 63.006 0.015 1
1 352 . 15 1 1 A 29 29 SER N N 29 114.967 115.310 -0.343 1
1 353 . 15 1 1 A 30 30 ILE H H 30 7.798 7.638 0.160 1
1 354 . 15 1 1 A 30 30 ILE HA H 30 3.884 3.667 0.217 1
1 364 . 15 1 1 A 30 30 ILE C C 30 177.721 178.104 -0.383 1
1 365 . 15 1 1 A 30 30 ILE CA C 30 64.231 65.091 -0.860 1
1 366 . 15 1 1 A 30 30 ILE CB C 30 39.382 37.697 1.685 1
1 370 . 15 1 1 A 30 30 ILE N N 30 120.517 121.713 -1.196 1
1 371 . 15 1 1 A 31 31 LEU H H 31 8.279 7.710 0.569 1
1 372 . 15 1 1 A 31 31 LEU HA H 31 4.362 3.993 0.369 1
1 382 . 15 1 1 A 31 31 LEU C C 31 178.475 177.453 1.022 1
1 383 . 15 1 1 A 31 31 LEU CA C 31 55.587 57.148 -1.561 1
1 384 . 15 1 1 A 31 31 LEU CB C 31 39.699 42.255 -2.556 1
1 388 . 15 1 1 A 31 31 LEU N N 31 117.941 119.411 -1.470 1
1 389 . 15 1 1 A 32 32 GLY H H 32 8.219 8.459 -0.240 1
1 390 . 15 1 1 A 32 32 GLY HA2 H 32 4.123 3.858 0.265 1
1 391 . 15 1 1 A 32 32 GLY HA3 H 32 3.878 3.862 0.016 1
1 392 . 15 1 1 A 32 32 GLY C C 32 175.512 175.120 0.392 1
1 393 . 15 1 1 A 32 32 GLY CA C 32 45.604 46.642 -1.038 1
1 394 . 15 1 1 A 32 32 GLY N N 32 107.591 107.595 -0.004 1
1 395 . 15 1 1 A 33 33 GLY H H 33 8.667 7.825 0.842 1
1 396 . 15 1 1 A 33 33 GLY HA2 H 33 4.062 4.236 -0.174 1
1 397 . 15 1 1 A 33 33 GLY HA3 H 33 3.879 4.236 -0.357 1
1 398 . 15 1 1 A 33 33 GLY C C 33 175.510 173.509 2.001 1
1 399 . 15 1 1 A 33 33 GLY CA C 33 46.603 46.214 0.389 1
1 400 . 15 1 1 A 33 33 GLY N N 33 109.700 106.839 2.861 1
1 401 . 15 1 1 A 34 34 VAL H H 34 8.049 8.087 -0.038 1
1 402 . 15 1 1 A 34 34 VAL HA H 34 4.309 3.753 0.556 1
1 410 . 15 1 1 A 34 34 VAL C C 34 176.726 176.080 0.646 1
1 411 . 15 1 1 A 34 34 VAL CA C 34 62.780 62.935 -0.155 1
1 412 . 15 1 1 A 34 34 VAL CB C 34 32.022 30.098 1.924 1
1 415 . 15 1 1 A 34 34 VAL N N 34 117.737 116.430 1.307 1
1 416 . 15 1 1 A 35 35 THR H H 35 8.141 8.092 0.049 1
1 417 . 15 1 1 A 35 35 THR HA H 35 4.239 4.291 -0.052 1
1 422 . 15 1 1 A 35 35 THR C C 35 174.905 175.964 -1.059 1
1 423 . 15 1 1 A 35 35 THR CA C 35 62.571 62.636 -0.065 1
1 424 . 15 1 1 A 35 35 THR CB C 35 69.247 69.092 0.155 1
1 426 . 15 1 1 A 35 35 THR N N 35 111.884 112.980 -1.096 1
1 427 . 15 1 1 A 36 36 VAL H H 36 7.560 7.509 0.051 1
1 428 . 15 1 1 A 36 36 VAL HA H 36 3.940 3.630 0.310 1
1 436 . 15 1 1 A 36 36 VAL C C 36 177.003 178.701 -1.698 1
1 437 . 15 1 1 A 36 36 VAL CA C 36 64.440 66.161 -1.721 1
1 438 . 15 1 1 A 36 36 VAL CB C 36 31.926 31.407 0.519 1
1 441 . 15 1 1 A 36 36 VAL N N 36 120.063 122.196 -2.133 1
1 442 . 15 1 1 A 37 37 GLY H H 37 8.427 8.203 0.224 1
1 443 . 15 1 1 A 37 37 GLY HA2 H 37 4.143 3.858 0.285 1
1 444 . 15 1 1 A 37 37 GLY HA3 H 37 4.077 3.859 0.218 1
1 445 . 15 1 1 A 37 37 GLY C C 37 176.084 175.629 0.455 1
1 446 . 15 1 1 A 37 37 GLY CA C 37 45.593 46.324 -0.731 1
1 447 . 15 1 1 A 37 37 GLY N N 37 110.570 108.271 2.299 1
1 448 . 15 1 1 A 38 38 LEU H H 38 8.157 7.941 0.216 1
1 449 . 15 1 1 A 38 38 LEU HA H 38 4.094 4.029 0.065 1
1 458 . 15 1 1 A 38 38 LEU C C 38 177.948 179.203 -1.255 1
1 459 . 15 1 1 A 38 38 LEU CA C 38 56.472 56.916 -0.444 1
1 460 . 15 1 1 A 38 38 LEU CB C 38 42.644 41.285 1.359 1
1 464 . 15 1 1 A 38 38 LEU N N 38 121.095 123.019 -1.924 1
1 465 . 15 1 1 A 39 39 SER H H 39 8.417 8.084 0.333 1
1 466 . 15 1 1 A 39 39 SER HA H 39 3.921 4.268 -0.347 1
1 469 . 15 1 1 A 39 39 SER C C 39 176.742 175.975 0.767 1
1 470 . 15 1 1 A 39 39 SER CA C 39 62.250 61.398 0.852 1
1 471 . 15 1 1 A 39 39 SER CB C 39 62.228 62.731 -0.503 1
1 472 . 15 1 1 A 39 39 SER N N 39 113.122 113.538 -0.416 1
1 473 . 15 1 1 A 40 40 GLY H H 40 8.169 7.929 0.240 1
1 474 . 15 1 1 A 40 40 GLY HA2 H 40 4.108 3.973 0.135 1
1 475 . 15 1 1 A 40 40 GLY HA3 H 40 3.990 3.981 0.009 1
1 476 . 15 1 1 A 40 40 GLY C C 40 175.225 175.111 0.114 1
1 477 . 15 1 1 A 40 40 GLY CA C 40 46.354 45.532 0.822 1
1 478 . 15 1 1 A 40 40 GLY N N 40 107.856 109.210 -1.354 1
1 479 . 15 1 1 A 41 41 VAL H H 41 7.321 7.799 -0.478 1
1 480 . 15 1 1 A 41 41 VAL HA H 41 4.482 3.740 0.742 1
1 488 . 15 1 1 A 41 41 VAL C C 41 176.112 177.901 -1.789 1
1 489 . 15 1 1 A 41 41 VAL CA C 41 61.490 64.980 -3.490 1
1 490 . 15 1 1 A 41 41 VAL CB C 41 33.211 31.617 1.594 1
1 493 . 15 1 1 A 41 41 VAL N N 41 114.922 120.566 -5.644 1
1 494 . 15 1 1 A 42 42 PHE H H 42 7.832 8.636 -0.804 1
1 495 . 15 1 1 A 42 42 PHE HA H 42 3.890 4.031 -0.141 1
1 501 . 15 1 1 A 42 42 PHE C C 42 176.656 177.695 -1.039 1
1 502 . 15 1 1 A 42 42 PHE CA C 42 62.384 61.830 0.554 1
1 503 . 15 1 1 A 42 42 PHE CB C 42 39.677 39.267 0.410 1
1 507 . 15 1 1 A 42 42 PHE N N 42 122.726 119.840 2.886 1
1 508 . 15 1 1 A 43 43 THR H H 43 8.606 8.189 0.417 1
1 509 . 15 1 1 A 43 43 THR HA H 43 3.771 4.075 -0.304 1
1 514 . 15 1 1 A 43 43 THR C C 43 176.755 177.081 -0.326 1
1 515 . 15 1 1 A 43 43 THR CA C 43 66.787 65.294 1.493 1
1 516 . 15 1 1 A 43 43 THR CB C 43 68.302 68.247 0.055 1
1 518 . 15 1 1 A 43 43 THR N N 43 113.613 112.254 1.359 1
1 519 . 15 1 1 A 44 44 ALA H H 44 7.860 8.123 -0.263 1
1 520 . 15 1 1 A 44 44 ALA HA H 44 4.203 4.071 0.132 1
1 524 . 15 1 1 A 44 44 ALA C C 44 181.044 180.511 0.533 1
1 525 . 15 1 1 A 44 44 ALA CA C 44 54.896 55.224 -0.328 1
1 526 . 15 1 1 A 44 44 ALA CB C 44 17.985 18.265 -0.280 1
1 527 . 15 1 1 A 44 44 ALA N N 44 125.406 124.505 0.901 1
1 528 . 15 1 1 A 45 45 VAL H H 45 8.391 7.532 0.859 1
1 529 . 15 1 1 A 45 45 VAL HA H 45 3.565 3.347 0.218 1
1 537 . 15 1 1 A 45 45 VAL C C 45 177.079 177.700 -0.621 1
1 538 . 15 1 1 A 45 45 VAL CA C 45 66.523 66.435 0.088 1
1 539 . 15 1 1 A 45 45 VAL CB C 45 31.323 31.241 0.082 1
1 542 . 15 1 1 A 45 45 VAL N N 45 120.467 117.706 2.761 1
1 543 . 15 1 1 A 46 46 LYS H H 46 8.270 7.801 0.469 1
1 544 . 15 1 1 A 46 46 LYS HA H 46 3.699 3.844 -0.145 1
1 550 . 15 1 1 A 46 46 LYS C C 46 179.171 179.499 -0.328 1
1 551 . 15 1 1 A 46 46 LYS CA C 46 60.606 59.649 0.957 1
1 552 . 15 1 1 A 46 46 LYS CB C 46 32.057 32.241 -0.184 1
1 556 . 15 1 1 A 46 46 LYS N N 46 120.461 118.991 1.470 1
1 557 . 15 1 1 A 47 47 ALA H H 47 7.854 7.686 0.168 1
1 558 . 15 1 1 A 47 47 ALA HA H 47 4.192 4.088 0.104 1
1 562 . 15 1 1 A 47 47 ALA C C 47 179.565 179.980 -0.415 1
1 563 . 15 1 1 A 47 47 ALA CA C 47 54.782 54.863 -0.081 1
1 564 . 15 1 1 A 47 47 ALA CB C 47 18.004 18.374 -0.370 1
1 565 . 15 1 1 A 47 47 ALA N N 47 120.799 122.188 -1.389 1
1 566 . 15 1 1 A 48 48 ALA H H 48 7.931 7.783 0.148 1
1 567 . 15 1 1 A 48 48 ALA HA H 48 4.232 4.109 0.123 1
1 571 . 15 1 1 A 48 48 ALA C C 48 180.197 179.878 0.319 1
1 572 . 15 1 1 A 48 48 ALA CA C 48 55.028 54.967 0.061 1
1 573 . 15 1 1 A 48 48 ALA CB C 48 17.968 18.427 -0.459 1
1 574 . 15 1 1 A 48 48 ALA N N 48 120.585 120.471 0.114 1
1 575 . 15 1 1 A 49 49 ILE H H 49 8.270 7.626 0.644 1
1 576 . 15 1 1 A 49 49 ILE HA H 49 3.190 3.518 -0.328 1
1 586 . 15 1 1 A 49 49 ILE C C 49 177.762 178.000 -0.238 1
1 587 . 15 1 1 A 49 49 ILE CA C 49 66.396 65.462 0.934 1
1 588 . 15 1 1 A 49 49 ILE CB C 49 38.698 37.655 1.043 1
1 592 . 15 1 1 A 49 49 ILE N N 49 118.535 119.841 -1.306 1
1 593 . 15 1 1 A 50 50 ALA H H 50 7.198 8.331 -1.133 1
1 594 . 15 1 1 A 50 50 ALA HA H 50 4.154 4.034 0.120 1
1 598 . 15 1 1 A 50 50 ALA C C 50 179.323 179.199 0.124 1
1 599 . 15 1 1 A 50 50 ALA CA C 50 54.684 54.734 -0.050 1
1 600 . 15 1 1 A 50 50 ALA CB C 50 18.877 18.114 0.763 1
1 601 . 15 1 1 A 50 50 ALA N N 50 118.853 121.629 -2.776 1
1 602 . 15 1 1 A 51 51 LYS H H 51 8.047 7.576 0.471 1
1 603 . 15 1 1 A 51 51 LYS HA H 51 4.372 4.061 0.311 1
1 609 . 15 1 1 A 51 51 LYS C C 51 177.694 177.892 -0.198 1
1 610 . 15 1 1 A 51 51 LYS CA C 51 57.678 59.394 -1.716 1
1 611 . 15 1 1 A 51 51 LYS CB C 51 34.279 32.915 1.364 1
1 615 . 15 1 1 A 51 51 LYS N N 51 114.606 118.399 -3.793 1
1 616 . 15 1 1 A 52 52 GLN H H 52 8.707 8.613 0.094 1
1 617 . 15 1 1 A 52 52 GLN HA H 52 4.592 4.483 0.109 1
1 624 . 15 1 1 A 52 52 GLN C C 52 176.792 175.923 0.869 1
1 625 . 15 1 1 A 52 52 GLN CA C 52 56.454 57.036 -0.582 1
1 626 . 15 1 1 A 52 52 GLN CB C 52 31.792 31.223 0.569 1
1 629 . 15 1 1 A 52 52 GLN N N 52 115.942 116.338 -0.396 1
1 631 . 15 1 1 A 53 53 GLY H H 53 8.045 7.322 0.723 1
1 632 . 15 1 1 A 53 53 GLY HA2 H 53 4.568 4.075 0.493 1
1 633 . 15 1 1 A 53 53 GLY HA3 H 53 4.066 4.076 -0.010 1
1 634 . 15 1 1 A 53 53 GLY C C 53 173.741 174.630 -0.889 1
1 635 . 15 1 1 A 53 53 GLY CA C 53 44.553 45.836 -1.283 1
1 636 . 15 1 1 A 53 53 GLY N N 53 110.313 103.325 6.988 1
1 637 . 15 1 1 A 54 54 ILE H H 54 8.281 8.677 -0.396 1
1 638 . 15 1 1 A 54 54 ILE HA H 54 3.583 3.746 -0.163 1
1 648 . 15 1 1 A 54 54 ILE C C 54 177.313 177.972 -0.659 1
1 649 . 15 1 1 A 54 54 ILE CA C 54 65.253 64.230 1.023 1
1 650 . 15 1 1 A 54 54 ILE CB C 54 38.489 37.729 0.760 1
1 654 . 15 1 1 A 54 54 ILE N N 54 117.579 119.602 -2.023 1
1 655 . 15 1 1 A 55 55 LYS H H 55 8.334 8.286 0.048 1
1 656 . 15 1 1 A 55 55 LYS HA H 55 3.955 4.045 -0.090 1
1 663 . 15 1 1 A 55 55 LYS C C 55 180.026 178.787 1.239 1
1 664 . 15 1 1 A 55 55 LYS CA C 55 60.343 59.218 1.125 1
1 665 . 15 1 1 A 55 55 LYS CB C 55 31.693 32.292 -0.599 1
1 669 . 15 1 1 A 55 55 LYS N N 55 119.039 122.992 -3.953 1
1 670 . 15 1 1 A 56 56 LYS H H 56 7.987 7.756 0.231 1
1 671 . 15 1 1 A 56 56 LYS HA H 56 4.130 4.093 0.037 1
1 677 . 15 1 1 A 56 56 LYS C C 56 178.612 178.951 -0.339 1
1 678 . 15 1 1 A 56 56 LYS CA C 56 57.715 58.383 -0.668 1
1 679 . 15 1 1 A 56 56 LYS CB C 56 31.714 31.954 -0.240 1
1 683 . 15 1 1 A 56 56 LYS N N 56 119.113 119.564 -0.451 1
1 684 . 15 1 1 A 57 57 ALA H H 57 7.735 7.878 -0.143 1
1 685 . 15 1 1 A 57 57 ALA HA H 57 3.911 3.999 -0.088 1
1 689 . 15 1 1 A 57 57 ALA C C 57 178.713 180.371 -1.658 1
1 690 . 15 1 1 A 57 57 ALA CA C 57 55.568 54.963 0.605 1
1 691 . 15 1 1 A 57 57 ALA CB C 57 19.922 18.300 1.622 1
1 692 . 15 1 1 A 57 57 ALA N N 57 122.357 120.909 1.448 1
1 693 . 15 1 1 A 58 58 ILE H H 58 8.257 7.496 0.761 1
1 694 . 15 1 1 A 58 58 ILE HA H 58 3.452 3.620 -0.168 1
1 704 . 15 1 1 A 58 58 ILE C C 58 177.688 177.870 -0.182 1
1 705 . 15 1 1 A 58 58 ILE CA C 58 66.157 65.379 0.778 1
1 706 . 15 1 1 A 58 58 ILE CB C 58 38.306 37.914 0.392 1
1 710 . 15 1 1 A 58 58 ILE N N 58 117.279 119.244 -1.965 1
1 711 . 15 1 1 A 59 59 GLN H H 59 7.752 8.390 -0.638 1
1 712 . 15 1 1 A 59 59 GLN HA H 59 3.916 4.178 -0.262 1
1 719 . 15 1 1 A 59 59 GLN C C 59 178.976 178.803 0.173 1
1 720 . 15 1 1 A 59 59 GLN CA C 59 59.112 58.709 0.403 1
1 721 . 15 1 1 A 59 59 GLN CB C 59 28.189 28.222 -0.033 1
1 724 . 15 1 1 A 59 59 GLN N N 59 117.533 118.747 -1.214 1
1 18 . 16 1 1 A 2 2 VAL H H 2 8.475 7.957 0.518 1
1 19 . 16 1 1 A 2 2 VAL HA H 2 4.528 3.924 0.604 1
1 27 . 16 1 1 A 2 2 VAL C C 2 181.462 178.083 3.379 1
1 28 . 16 1 1 A 2 2 VAL CA C 2 65.162 66.578 -1.416 1
1 29 . 16 1 1 A 2 2 VAL CB C 2 31.895 31.629 0.266 1
1 32 . 16 1 1 A 2 2 VAL N N 2 121.849 117.131 4.718 1
1 33 . 16 1 1 A 3 3 ALA H H 3 8.256 8.510 -0.254 1
1 34 . 16 1 1 A 3 3 ALA HA H 3 4.173 4.154 0.019 1
1 38 . 16 1 1 A 3 3 ALA C C 3 179.402 179.503 -0.101 1
1 39 . 16 1 1 A 3 3 ALA CA C 3 54.725 54.966 -0.241 1
1 40 . 16 1 1 A 3 3 ALA CB C 3 17.784 18.054 -0.270 1
1 41 . 16 1 1 A 3 3 ALA N N 3 124.615 121.646 2.969 1
1 42 . 16 1 1 A 4 4 TYR H H 4 7.717 8.254 -0.537 1
1 43 . 16 1 1 A 4 4 TYR HA H 4 4.465 4.256 0.209 1
1 48 . 16 1 1 A 4 4 TYR C C 4 177.710 176.116 1.594 1
1 49 . 16 1 1 A 4 4 TYR CA C 4 58.648 61.182 -2.534 1
1 50 . 16 1 1 A 4 4 TYR CB C 4 38.838 39.597 -0.759 1
1 53 . 16 1 1 A 4 4 TYR N N 4 117.777 120.294 -2.517 1
1 54 . 16 1 1 A 5 5 GLY H H 5 7.942 7.953 -0.011 1
1 55 . 16 1 1 A 5 5 GLY HA2 H 5 4.373 4.122 0.251 1
1 56 . 16 1 1 A 5 5 GLY HA3 H 5 3.699 4.141 -0.442 1
1 57 . 16 1 1 A 5 5 GLY C C 5 174.273 174.856 -0.583 1
1 58 . 16 1 1 A 5 5 GLY CA C 5 45.019 45.523 -0.504 1
1 59 . 16 1 1 A 5 5 GLY N N 5 105.556 106.793 -1.237 1
1 60 . 16 1 1 A 6 6 ILE H H 6 7.844 7.660 0.184 1
1 61 . 16 1 1 A 6 6 ILE HA H 6 4.135 4.080 0.055 1
1 71 . 16 1 1 A 6 6 ILE C C 6 174.476 176.431 -1.955 1
1 72 . 16 1 1 A 6 6 ILE CA C 6 59.997 61.453 -1.456 1
1 73 . 16 1 1 A 6 6 ILE CB C 6 37.498 37.969 -0.471 1
1 77 . 16 1 1 A 6 6 ILE N N 6 123.172 122.181 0.991 1
1 78 . 16 1 1 A 7 7 ALA H H 7 8.361 8.664 -0.303 1
1 79 . 16 1 1 A 7 7 ALA HA H 7 4.205 4.208 -0.003 1
1 83 . 16 1 1 A 7 7 ALA C C 7 178.710 178.720 -0.010 1
1 84 . 16 1 1 A 7 7 ALA CA C 7 52.736 52.870 -0.134 1
1 85 . 16 1 1 A 7 7 ALA CB C 7 19.343 19.552 -0.209 1
1 86 . 16 1 1 A 7 7 ALA N N 7 128.201 129.442 -1.241 1
1 87 . 16 1 1 A 8 8 GLN H H 8 8.929 8.773 0.156 1
1 88 . 16 1 1 A 8 8 GLN HA H 8 3.670 4.070 -0.400 1
1 95 . 16 1 1 A 8 8 GLN C C 8 177.362 178.205 -0.843 1
1 96 . 16 1 1 A 8 8 GLN CA C 8 60.337 58.165 2.172 1
1 97 . 16 1 1 A 8 8 GLN CB C 8 28.290 28.119 0.171 1
1 100 . 16 1 1 A 8 8 GLN N N 8 121.784 122.390 -0.606 1
1 102 . 16 1 1 A 9 9 GLY H H 9 9.034 8.247 0.787 1
1 103 . 16 1 1 A 9 9 GLY HA2 H 9 3.891 3.722 0.169 1
1 104 . 16 1 1 A 9 9 GLY C C 9 177.273 176.477 0.796 1
1 105 . 16 1 1 A 9 9 GLY CA C 9 47.126 47.407 -0.281 1
1 106 . 16 1 1 A 9 9 GLY N N 9 105.262 109.157 -3.895 1
1 107 . 16 1 1 A 10 10 THR H H 10 7.254 8.164 -0.910 1
1 108 . 16 1 1 A 10 10 THR HA H 10 4.010 4.079 -0.069 1
1 113 . 16 1 1 A 10 10 THR C C 10 175.476 175.884 -0.408 1
1 114 . 16 1 1 A 10 10 THR CA C 10 65.939 65.193 0.746 1
1 115 . 16 1 1 A 10 10 THR CB C 10 68.252 68.763 -0.511 1
1 117 . 16 1 1 A 10 10 THR N N 10 118.993 116.657 2.336 1
1 118 . 16 1 1 A 11 11 ALA H H 11 9.152 8.583 0.569 1
1 119 . 16 1 1 A 11 11 ALA HA H 11 3.759 3.995 -0.236 1
1 123 . 16 1 1 A 11 11 ALA C C 11 178.878 180.075 -1.197 1
1 124 . 16 1 1 A 11 11 ALA CA C 11 55.756 55.842 -0.086 1
1 125 . 16 1 1 A 11 11 ALA CB C 11 19.820 18.299 1.521 1
1 126 . 16 1 1 A 11 11 ALA N N 11 126.026 123.237 2.789 1
1 127 . 16 1 1 A 12 12 GLU H H 12 8.442 8.066 0.376 1
1 128 . 16 1 1 A 12 12 GLU HA H 12 3.748 3.990 -0.242 1
1 133 . 16 1 1 A 12 12 GLU C C 12 179.309 179.471 -0.162 1
1 134 . 16 1 1 A 12 12 GLU CA C 12 59.899 59.633 0.266 1
1 135 . 16 1 1 A 12 12 GLU CB C 12 29.713 29.183 0.530 1
1 137 . 16 1 1 A 12 12 GLU N N 12 115.831 118.146 -2.315 1
1 138 . 16 1 1 A 13 13 LYS H H 13 7.253 7.781 -0.528 1
1 139 . 16 1 1 A 13 13 LYS HA H 13 4.147 4.064 0.083 1
1 145 . 16 1 1 A 13 13 LYS C C 13 178.842 179.426 -0.584 1
1 146 . 16 1 1 A 13 13 LYS CA C 13 59.198 59.431 -0.233 1
1 147 . 16 1 1 A 13 13 LYS CB C 13 32.678 32.689 -0.011 1
1 150 . 16 1 1 A 13 13 LYS N N 13 119.708 118.940 0.768 1
1 151 . 16 1 1 A 14 14 VAL H H 14 8.649 8.216 0.433 1
1 152 . 16 1 1 A 14 14 VAL HA H 14 3.368 3.735 -0.367 1
1 160 . 16 1 1 A 14 14 VAL C C 14 177.806 178.434 -0.628 1
1 161 . 16 1 1 A 14 14 VAL CA C 14 67.448 65.866 1.582 1
1 162 . 16 1 1 A 14 14 VAL CB C 14 31.423 31.889 -0.466 1
1 165 . 16 1 1 A 14 14 VAL N N 14 119.012 120.265 -1.253 1
1 166 . 16 1 1 A 15 15 VAL H H 15 8.172 8.397 -0.225 1
1 167 . 16 1 1 A 15 15 VAL HA H 15 3.418 3.576 -0.158 1
1 175 . 16 1 1 A 15 15 VAL C C 15 177.325 178.616 -1.291 1
1 176 . 16 1 1 A 15 15 VAL CA C 15 67.632 66.667 0.965 1
1 177 . 16 1 1 A 15 15 VAL CB C 15 31.168 31.337 -0.169 1
1 180 . 16 1 1 A 15 15 VAL N N 15 117.226 121.020 -3.794 1
1 181 . 16 1 1 A 16 16 SER H H 16 7.804 7.790 0.014 1
1 182 . 16 1 1 A 16 16 SER HA H 16 4.232 4.186 0.046 1
1 185 . 16 1 1 A 16 16 SER C C 16 177.563 177.051 0.512 1
1 186 . 16 1 1 A 16 16 SER CA C 16 61.988 61.221 0.767 1
1 187 . 16 1 1 A 16 16 SER CB C 16 62.781 63.078 -0.297 1
1 188 . 16 1 1 A 16 16 SER N N 16 115.358 115.782 -0.424 1
1 189 . 16 1 1 A 17 17 LEU H H 17 8.089 8.073 0.016 1
1 190 . 16 1 1 A 17 17 LEU HA H 17 4.234 4.143 0.091 1
1 200 . 16 1 1 A 17 17 LEU C C 17 179.382 179.116 0.266 1
1 201 . 16 1 1 A 17 17 LEU CA C 17 57.908 57.732 0.176 1
1 202 . 16 1 1 A 17 17 LEU CB C 17 41.459 41.473 -0.014 1
1 206 . 16 1 1 A 17 17 LEU N N 17 121.995 122.755 -0.760 1
1 207 . 16 1 1 A 18 18 ILE H H 18 8.690 7.845 0.845 1
1 208 . 16 1 1 A 18 18 ILE HA H 18 3.799 3.525 0.274 1
1 218 . 16 1 1 A 18 18 ILE C C 18 181.545 178.045 3.500 1
1 219 . 16 1 1 A 18 18 ILE CA C 18 65.849 65.758 0.091 1
1 220 . 16 1 1 A 18 18 ILE CB C 18 37.844 38.112 -0.268 1
1 224 . 16 1 1 A 18 18 ILE N N 18 121.273 120.484 0.789 1
1 225 . 16 1 1 A 19 19 ASN H H 19 8.663 8.268 0.395 1
1 226 . 16 1 1 A 19 19 ASN HA H 19 4.548 4.417 0.131 1
1 231 . 16 1 1 A 19 19 ASN C C 19 176.165 177.761 -1.596 1
1 232 . 16 1 1 A 19 19 ASN CA C 19 55.365 56.155 -0.790 1
1 233 . 16 1 1 A 19 19 ASN CB C 19 38.196 37.964 0.232 1
1 235 . 16 1 1 A 19 19 ASN N N 19 120.662 118.421 2.241 1
1 237 . 16 1 1 A 20 20 ALA H H 20 7.564 7.112 0.452 1
1 238 . 16 1 1 A 20 20 ALA HA H 20 4.411 4.256 0.155 1
1 242 . 16 1 1 A 20 20 ALA C C 20 175.860 177.876 -2.016 1
1 243 . 16 1 1 A 20 20 ALA CA C 20 52.478 52.379 0.099 1
1 244 . 16 1 1 A 20 20 ALA CB C 20 18.668 19.628 -0.960 1
1 245 . 16 1 1 A 20 20 ALA N N 20 120.105 118.752 1.353 1
1 246 . 16 1 1 A 21 21 GLY H H 21 7.959 8.238 -0.279 1
1 247 . 16 1 1 A 21 21 GLY HA2 H 21 4.310 3.938 0.372 1
1 248 . 16 1 1 A 21 21 GLY HA3 H 21 3.804 3.943 -0.139 1
1 249 . 16 1 1 A 21 21 GLY C C 21 175.014 174.503 0.511 1
1 250 . 16 1 1 A 21 21 GLY CA C 21 45.286 45.651 -0.365 1
1 251 . 16 1 1 A 21 21 GLY N N 21 105.589 107.067 -1.478 1
1 252 . 16 1 1 A 22 22 LEU H H 22 7.529 7.609 -0.080 1
1 253 . 16 1 1 A 22 22 LEU HA H 22 4.462 4.350 0.112 1
1 263 . 16 1 1 A 22 22 LEU C C 22 177.271 176.914 0.357 1
1 264 . 16 1 1 A 22 22 LEU CA C 22 56.388 54.564 1.824 1
1 265 . 16 1 1 A 22 22 LEU CB C 22 42.442 42.172 0.270 1
1 269 . 16 1 1 A 22 22 LEU N N 22 121.608 122.341 -0.733 1
1 270 . 16 1 1 A 23 23 THR H H 23 7.976 8.519 -0.543 1
1 271 . 16 1 1 A 23 23 THR HA H 23 4.335 4.765 -0.430 1
1 276 . 16 1 1 A 23 23 THR C C 23 175.978 176.150 -0.172 1
1 277 . 16 1 1 A 23 23 THR CA C 23 60.185 60.766 -0.581 1
1 278 . 16 1 1 A 23 23 THR CB C 23 71.142 71.122 0.020 1
1 280 . 16 1 1 A 23 23 THR N N 23 108.756 115.206 -6.450 1
1 281 . 16 1 1 A 24 24 VAL H H 24 8.201 8.988 -0.787 1
1 282 . 16 1 1 A 24 24 VAL HA H 24 3.337 3.721 -0.384 1
1 290 . 16 1 1 A 24 24 VAL C C 24 176.772 177.843 -1.071 1
1 291 . 16 1 1 A 24 24 VAL CA C 24 66.172 65.144 1.028 1
1 292 . 16 1 1 A 24 24 VAL CB C 24 30.752 31.349 -0.597 1
1 295 . 16 1 1 A 24 24 VAL N N 24 119.897 120.112 -0.215 1
1 296 . 16 1 1 A 25 25 GLY H H 25 8.328 8.294 0.034 1
1 297 . 16 1 1 A 25 25 GLY HA2 H 25 3.830 3.738 0.092 1
1 298 . 16 1 1 A 25 25 GLY HA3 H 25 3.722 3.753 -0.031 1
1 299 . 16 1 1 A 25 25 GLY C C 25 177.352 175.918 1.434 1
1 300 . 16 1 1 A 25 25 GLY CA C 25 46.824 47.262 -0.438 1
1 301 . 16 1 1 A 25 25 GLY N N 25 106.836 110.714 -3.878 1
1 302 . 16 1 1 A 26 26 SER H H 26 7.626 7.844 -0.218 1
1 303 . 16 1 1 A 26 26 SER HA H 26 4.286 4.171 0.115 1
1 306 . 16 1 1 A 26 26 SER C C 26 176.160 177.172 -1.012 1
1 307 . 16 1 1 A 26 26 SER CA C 26 61.829 60.892 0.937 1
1 308 . 16 1 1 A 26 26 SER CB C 26 63.022 63.096 -0.074 1
1 309 . 16 1 1 A 26 26 SER N N 26 118.367 116.540 1.827 1
1 310 . 16 1 1 A 27 27 ILE H H 27 8.072 7.347 0.725 1
1 311 . 16 1 1 A 27 27 ILE HA H 27 3.494 3.571 -0.077 1
1 321 . 16 1 1 A 27 27 ILE C C 27 177.364 178.115 -0.751 1
1 322 . 16 1 1 A 27 27 ILE CA C 27 66.333 64.260 2.073 1
1 323 . 16 1 1 A 27 27 ILE CB C 27 38.065 37.311 0.754 1
1 327 . 16 1 1 A 27 27 ILE N N 27 122.663 121.587 1.076 1
1 328 . 16 1 1 A 28 28 ILE H H 28 8.317 8.000 0.317 1
1 329 . 16 1 1 A 28 28 ILE HA H 28 3.790 3.847 -0.057 1
1 339 . 16 1 1 A 28 28 ILE C C 28 179.278 178.128 1.150 1
1 340 . 16 1 1 A 28 28 ILE CA C 28 65.107 65.160 -0.053 1
1 341 . 16 1 1 A 28 28 ILE CB C 28 38.185 37.349 0.836 1
1 345 . 16 1 1 A 28 28 ILE N N 28 119.722 120.544 -0.822 1
1 346 . 16 1 1 A 29 29 SER H H 29 7.703 7.951 -0.248 1
1 347 . 16 1 1 A 29 29 SER HA H 29 4.185 4.060 0.125 1
1 349 . 16 1 1 A 29 29 SER C C 29 176.198 177.217 -1.019 1
1 350 . 16 1 1 A 29 29 SER CA C 29 61.588 61.603 -0.015 1
1 351 . 16 1 1 A 29 29 SER CB C 29 63.021 63.075 -0.054 1
1 352 . 16 1 1 A 29 29 SER N N 29 114.967 116.321 -1.354 1
1 353 . 16 1 1 A 30 30 ILE H H 30 7.798 7.200 0.598 1
1 354 . 16 1 1 A 30 30 ILE HA H 30 3.884 3.760 0.124 1
1 364 . 16 1 1 A 30 30 ILE C C 30 177.721 178.462 -0.741 1
1 365 . 16 1 1 A 30 30 ILE CA C 30 64.231 63.941 0.290 1
1 366 . 16 1 1 A 30 30 ILE CB C 30 39.382 37.053 2.329 1
1 370 . 16 1 1 A 30 30 ILE N N 30 120.517 121.047 -0.530 1
1 371 . 16 1 1 A 31 31 LEU H H 31 8.279 7.802 0.477 1
1 372 . 16 1 1 A 31 31 LEU HA H 31 4.362 4.059 0.303 1
1 382 . 16 1 1 A 31 31 LEU C C 31 178.475 176.701 1.774 1
1 383 . 16 1 1 A 31 31 LEU CA C 31 55.587 55.824 -0.237 1
1 384 . 16 1 1 A 31 31 LEU CB C 31 39.699 42.656 -2.957 1
1 388 . 16 1 1 A 31 31 LEU N N 31 117.941 119.654 -1.713 1
1 389 . 16 1 1 A 32 32 GLY H H 32 8.219 7.823 0.396 1
1 390 . 16 1 1 A 32 32 GLY HA2 H 32 4.123 4.032 0.091 1
1 391 . 16 1 1 A 32 32 GLY HA3 H 32 3.878 4.034 -0.156 1
1 392 . 16 1 1 A 32 32 GLY C C 32 175.512 173.886 1.626 1
1 393 . 16 1 1 A 32 32 GLY CA C 32 45.604 45.132 0.472 1
1 394 . 16 1 1 A 32 32 GLY N N 32 107.591 105.571 2.020 1
1 395 . 16 1 1 A 33 33 GLY H H 33 8.667 7.738 0.929 1
1 396 . 16 1 1 A 33 33 GLY HA2 H 33 4.062 4.050 0.012 1
1 397 . 16 1 1 A 33 33 GLY HA3 H 33 3.879 4.058 -0.179 1
1 398 . 16 1 1 A 33 33 GLY C C 33 175.510 173.272 2.238 1
1 399 . 16 1 1 A 33 33 GLY CA C 33 46.603 44.721 1.882 1
1 400 . 16 1 1 A 33 33 GLY N N 33 109.700 107.560 2.140 1
1 401 . 16 1 1 A 34 34 VAL H H 34 8.049 8.623 -0.574 1
1 402 . 16 1 1 A 34 34 VAL HA H 34 4.309 3.702 0.607 1
1 410 . 16 1 1 A 34 34 VAL C C 34 176.726 176.212 0.514 1
1 411 . 16 1 1 A 34 34 VAL CA C 34 62.780 63.366 -0.586 1
1 412 . 16 1 1 A 34 34 VAL CB C 34 32.022 30.125 1.897 1
1 415 . 16 1 1 A 34 34 VAL N N 34 117.737 118.940 -1.203 1
1 416 . 16 1 1 A 35 35 THR H H 35 8.141 7.988 0.153 1
1 417 . 16 1 1 A 35 35 THR HA H 35 4.239 4.260 -0.021 1
1 422 . 16 1 1 A 35 35 THR C C 35 174.905 175.790 -0.885 1
1 423 . 16 1 1 A 35 35 THR CA C 35 62.571 62.433 0.138 1
1 424 . 16 1 1 A 35 35 THR CB C 35 69.247 69.201 0.046 1
1 426 . 16 1 1 A 35 35 THR N N 35 111.884 112.944 -1.060 1
1 427 . 16 1 1 A 36 36 VAL H H 36 7.560 7.768 -0.208 1
1 428 . 16 1 1 A 36 36 VAL HA H 36 3.940 3.827 0.113 1
1 436 . 16 1 1 A 36 36 VAL C C 36 177.003 177.617 -0.614 1
1 437 . 16 1 1 A 36 36 VAL CA C 36 64.440 65.826 -1.386 1
1 438 . 16 1 1 A 36 36 VAL CB C 36 31.926 31.122 0.804 1
1 441 . 16 1 1 A 36 36 VAL N N 36 120.063 122.018 -1.955 1
1 442 . 16 1 1 A 37 37 GLY H H 37 8.427 8.369 0.058 1
1 443 . 16 1 1 A 37 37 GLY HA2 H 37 4.143 3.701 0.442 1
1 444 . 16 1 1 A 37 37 GLY HA3 H 37 4.077 3.706 0.371 1
1 445 . 16 1 1 A 37 37 GLY C C 37 176.084 175.959 0.125 1
1 446 . 16 1 1 A 37 37 GLY CA C 37 45.593 47.366 -1.773 1
1 447 . 16 1 1 A 37 37 GLY N N 37 110.570 109.012 1.558 1
1 448 . 16 1 1 A 38 38 LEU H H 38 8.157 8.157 0.000 1
1 449 . 16 1 1 A 38 38 LEU HA H 38 4.094 4.004 0.090 1
1 458 . 16 1 1 A 38 38 LEU C C 38 177.948 179.598 -1.650 1
1 459 . 16 1 1 A 38 38 LEU CA C 38 56.472 57.138 -0.666 1
1 460 . 16 1 1 A 38 38 LEU CB C 38 42.644 41.185 1.459 1
1 464 . 16 1 1 A 38 38 LEU N N 38 121.095 122.497 -1.402 1
1 465 . 16 1 1 A 39 39 SER H H 39 8.417 8.087 0.330 1
1 466 . 16 1 1 A 39 39 SER HA H 39 3.921 4.247 -0.326 1
1 469 . 16 1 1 A 39 39 SER C C 39 176.742 177.134 -0.392 1
1 470 . 16 1 1 A 39 39 SER CA C 39 62.250 62.360 -0.110 1
1 471 . 16 1 1 A 39 39 SER CB C 39 62.228 62.754 -0.526 1
1 472 . 16 1 1 A 39 39 SER N N 39 113.122 115.166 -2.044 1
1 473 . 16 1 1 A 40 40 GLY H H 40 8.169 8.154 0.015 1
1 474 . 16 1 1 A 40 40 GLY HA2 H 40 4.108 3.983 0.125 1
1 475 . 16 1 1 A 40 40 GLY HA3 H 40 3.990 3.991 -0.001 1
1 476 . 16 1 1 A 40 40 GLY C C 40 175.225 175.478 -0.253 1
1 477 . 16 1 1 A 40 40 GLY CA C 40 46.354 46.953 -0.599 1
1 478 . 16 1 1 A 40 40 GLY N N 40 107.856 108.931 -1.075 1
1 479 . 16 1 1 A 41 41 VAL H H 41 7.321 7.762 -0.441 1
1 480 . 16 1 1 A 41 41 VAL HA H 41 4.482 4.102 0.380 1
1 488 . 16 1 1 A 41 41 VAL C C 41 176.112 177.551 -1.439 1
1 489 . 16 1 1 A 41 41 VAL CA C 41 61.490 64.508 -3.018 1
1 490 . 16 1 1 A 41 41 VAL CB C 41 33.211 32.105 1.106 1
1 493 . 16 1 1 A 41 41 VAL N N 41 114.922 118.630 -3.708 1
1 494 . 16 1 1 A 42 42 PHE H H 42 7.832 8.108 -0.276 1
1 495 . 16 1 1 A 42 42 PHE HA H 42 3.890 3.993 -0.103 1
1 501 . 16 1 1 A 42 42 PHE C C 42 176.656 177.313 -0.657 1
1 502 . 16 1 1 A 42 42 PHE CA C 42 62.384 61.982 0.402 1
1 503 . 16 1 1 A 42 42 PHE CB C 42 39.677 39.192 0.485 1
1 507 . 16 1 1 A 42 42 PHE N N 42 122.726 124.113 -1.387 1
1 508 . 16 1 1 A 43 43 THR H H 43 8.606 7.769 0.837 1
1 509 . 16 1 1 A 43 43 THR HA H 43 3.771 4.104 -0.333 1
1 514 . 16 1 1 A 43 43 THR C C 43 176.755 177.125 -0.370 1
1 515 . 16 1 1 A 43 43 THR CA C 43 66.787 65.920 0.867 1
1 516 . 16 1 1 A 43 43 THR CB C 43 68.302 68.042 0.260 1
1 518 . 16 1 1 A 43 43 THR N N 43 113.613 112.392 1.221 1
1 519 . 16 1 1 A 44 44 ALA H H 44 7.860 7.859 0.001 1
1 520 . 16 1 1 A 44 44 ALA HA H 44 4.203 4.103 0.100 1
1 524 . 16 1 1 A 44 44 ALA C C 44 181.044 180.321 0.723 1
1 525 . 16 1 1 A 44 44 ALA CA C 44 54.896 55.016 -0.120 1
1 526 . 16 1 1 A 44 44 ALA CB C 44 17.985 18.260 -0.275 1
1 527 . 16 1 1 A 44 44 ALA N N 44 125.406 124.739 0.667 1
1 528 . 16 1 1 A 45 45 VAL H H 45 8.391 8.086 0.305 1
1 529 . 16 1 1 A 45 45 VAL HA H 45 3.565 3.341 0.224 1
1 537 . 16 1 1 A 45 45 VAL C C 45 177.079 177.819 -0.740 1
1 538 . 16 1 1 A 45 45 VAL CA C 45 66.523 66.848 -0.325 1
1 539 . 16 1 1 A 45 45 VAL CB C 45 31.323 31.303 0.020 1
1 542 . 16 1 1 A 45 45 VAL N N 45 120.467 118.103 2.364 1
1 543 . 16 1 1 A 46 46 LYS H H 46 8.270 7.821 0.449 1
1 544 . 16 1 1 A 46 46 LYS HA H 46 3.699 3.832 -0.133 1
1 550 . 16 1 1 A 46 46 LYS C C 46 179.171 178.736 0.435 1
1 551 . 16 1 1 A 46 46 LYS CA C 46 60.606 59.273 1.333 1
1 552 . 16 1 1 A 46 46 LYS CB C 46 32.057 32.106 -0.049 1
1 556 . 16 1 1 A 46 46 LYS N N 46 120.461 120.254 0.207 1
1 557 . 16 1 1 A 47 47 ALA H H 47 7.854 7.545 0.309 1
1 558 . 16 1 1 A 47 47 ALA HA H 47 4.192 4.064 0.128 1
1 562 . 16 1 1 A 47 47 ALA C C 47 179.565 179.974 -0.409 1
1 563 . 16 1 1 A 47 47 ALA CA C 47 54.782 54.861 -0.079 1
1 564 . 16 1 1 A 47 47 ALA CB C 47 18.004 18.310 -0.306 1
1 565 . 16 1 1 A 47 47 ALA N N 47 120.799 121.165 -0.366 1
1 566 . 16 1 1 A 48 48 ALA H H 48 7.931 7.850 0.081 1
1 567 . 16 1 1 A 48 48 ALA HA H 48 4.232 4.096 0.136 1
1 571 . 16 1 1 A 48 48 ALA C C 48 180.197 180.051 0.146 1
1 572 . 16 1 1 A 48 48 ALA CA C 48 55.028 55.122 -0.094 1
1 573 . 16 1 1 A 48 48 ALA CB C 48 17.968 18.414 -0.446 1
1 574 . 16 1 1 A 48 48 ALA N N 48 120.585 120.408 0.177 1
1 575 . 16 1 1 A 49 49 ILE H H 49 8.270 7.639 0.631 1
1 576 . 16 1 1 A 49 49 ILE HA H 49 3.190 3.507 -0.317 1
1 586 . 16 1 1 A 49 49 ILE C C 49 177.762 177.971 -0.209 1
1 587 . 16 1 1 A 49 49 ILE CA C 49 66.396 65.504 0.892 1
1 588 . 16 1 1 A 49 49 ILE CB C 49 38.698 37.659 1.039 1
1 592 . 16 1 1 A 49 49 ILE N N 49 118.535 119.462 -0.927 1
1 593 . 16 1 1 A 50 50 ALA H H 50 7.198 8.349 -1.151 1
1 594 . 16 1 1 A 50 50 ALA HA H 50 4.154 4.027 0.127 1
1 598 . 16 1 1 A 50 50 ALA C C 50 179.323 180.130 -0.807 1
1 599 . 16 1 1 A 50 50 ALA CA C 50 54.684 54.717 -0.033 1
1 600 . 16 1 1 A 50 50 ALA CB C 50 18.877 18.149 0.728 1
1 601 . 16 1 1 A 50 50 ALA N N 50 118.853 121.592 -2.739 1
1 602 . 16 1 1 A 51 51 LYS H H 51 8.047 7.499 0.548 1
1 603 . 16 1 1 A 51 51 LYS HA H 51 4.372 4.099 0.273 1
1 609 . 16 1 1 A 51 51 LYS C C 51 177.694 178.410 -0.716 1
1 610 . 16 1 1 A 51 51 LYS CA C 51 57.678 59.318 -1.640 1
1 611 . 16 1 1 A 51 51 LYS CB C 51 34.279 32.765 1.514 1
1 615 . 16 1 1 A 51 51 LYS N N 51 114.606 117.740 -3.134 1
1 616 . 16 1 1 A 52 52 GLN H H 52 8.707 8.655 0.052 1
1 617 . 16 1 1 A 52 52 GLN HA H 52 4.592 4.433 0.159 1
1 624 . 16 1 1 A 52 52 GLN C C 52 176.792 175.845 0.947 1
1 625 . 16 1 1 A 52 52 GLN CA C 52 56.454 56.819 -0.365 1
1 626 . 16 1 1 A 52 52 GLN CB C 52 31.792 30.777 1.015 1
1 629 . 16 1 1 A 52 52 GLN N N 52 115.942 115.481 0.461 1
1 631 . 16 1 1 A 53 53 GLY H H 53 8.045 6.834 1.211 1
1 632 . 16 1 1 A 53 53 GLY HA2 H 53 4.568 4.040 0.528 1
1 633 . 16 1 1 A 53 53 GLY HA3 H 53 4.066 4.041 0.025 1
1 634 . 16 1 1 A 53 53 GLY C C 53 173.741 174.672 -0.931 1
1 635 . 16 1 1 A 53 53 GLY CA C 53 44.553 45.648 -1.095 1
1 636 . 16 1 1 A 53 53 GLY N N 53 110.313 103.502 6.811 1
1 637 . 16 1 1 A 54 54 ILE H H 54 8.281 8.669 -0.388 1
1 638 . 16 1 1 A 54 54 ILE HA H 54 3.583 3.786 -0.203 1
1 648 . 16 1 1 A 54 54 ILE C C 54 177.313 177.942 -0.629 1
1 649 . 16 1 1 A 54 54 ILE CA C 54 65.253 64.347 0.906 1
1 650 . 16 1 1 A 54 54 ILE CB C 54 38.489 37.674 0.815 1
1 654 . 16 1 1 A 54 54 ILE N N 54 117.579 119.594 -2.015 1
1 655 . 16 1 1 A 55 55 LYS H H 55 8.334 8.279 0.055 1
1 656 . 16 1 1 A 55 55 LYS HA H 55 3.955 4.056 -0.101 1
1 663 . 16 1 1 A 55 55 LYS C C 55 180.026 178.579 1.447 1
1 664 . 16 1 1 A 55 55 LYS CA C 55 60.343 59.193 1.150 1
1 665 . 16 1 1 A 55 55 LYS CB C 55 31.693 32.343 -0.650 1
1 669 . 16 1 1 A 55 55 LYS N N 55 119.039 123.206 -4.167 1
1 670 . 16 1 1 A 56 56 LYS H H 56 7.987 7.869 0.118 1
1 671 . 16 1 1 A 56 56 LYS HA H 56 4.130 4.037 0.093 1
1 677 . 16 1 1 A 56 56 LYS C C 56 178.612 179.383 -0.771 1
1 678 . 16 1 1 A 56 56 LYS CA C 56 57.715 59.093 -1.378 1
1 679 . 16 1 1 A 56 56 LYS CB C 56 31.714 31.983 -0.269 1
1 683 . 16 1 1 A 56 56 LYS N N 56 119.113 119.855 -0.742 1
1 684 . 16 1 1 A 57 57 ALA H H 57 7.735 7.750 -0.015 1
1 685 . 16 1 1 A 57 57 ALA HA H 57 3.911 4.045 -0.134 1
1 689 . 16 1 1 A 57 57 ALA C C 57 178.713 179.935 -1.222 1
1 690 . 16 1 1 A 57 57 ALA CA C 57 55.568 55.057 0.511 1
1 691 . 16 1 1 A 57 57 ALA CB C 57 19.922 18.433 1.489 1
1 692 . 16 1 1 A 57 57 ALA N N 57 122.357 122.032 0.325 1
1 693 . 16 1 1 A 58 58 ILE H H 58 8.257 7.673 0.584 1
1 694 . 16 1 1 A 58 58 ILE HA H 58 3.452 3.588 -0.136 1
1 704 . 16 1 1 A 58 58 ILE C C 58 177.688 177.786 -0.098 1
1 705 . 16 1 1 A 58 58 ILE CA C 58 66.157 65.401 0.756 1
1 706 . 16 1 1 A 58 58 ILE CB C 58 38.306 38.084 0.222 1
1 710 . 16 1 1 A 58 58 ILE N N 58 117.279 118.733 -1.454 1
1 711 . 16 1 1 A 59 59 GLN H H 59 7.752 7.900 -0.148 1
1 712 . 16 1 1 A 59 59 GLN HA H 59 3.916 4.072 -0.156 1
1 719 . 16 1 1 A 59 59 GLN C C 59 178.976 177.610 1.366 1
1 720 . 16 1 1 A 59 59 GLN CA C 59 59.112 58.228 0.884 1
1 721 . 16 1 1 A 59 59 GLN CB C 59 28.189 27.299 0.890 1
1 724 . 16 1 1 A 59 59 GLN N N 59 117.533 120.122 -2.589 1
1 18 . 17 1 1 A 2 2 VAL H H 2 8.475 8.314 0.161 1
1 19 . 17 1 1 A 2 2 VAL HA H 2 4.528 3.918 0.610 1
1 27 . 17 1 1 A 2 2 VAL C C 2 181.462 178.062 3.400 1
1 28 . 17 1 1 A 2 2 VAL CA C 2 65.162 66.645 -1.483 1
1 29 . 17 1 1 A 2 2 VAL CB C 2 31.895 31.600 0.295 1
1 32 . 17 1 1 A 2 2 VAL N N 2 121.849 117.164 4.685 1
1 33 . 17 1 1 A 3 3 ALA H H 3 8.256 8.529 -0.273 1
1 34 . 17 1 1 A 3 3 ALA HA H 3 4.173 4.163 0.010 1
1 38 . 17 1 1 A 3 3 ALA C C 3 179.402 179.448 -0.046 1
1 39 . 17 1 1 A 3 3 ALA CA C 3 54.725 54.983 -0.258 1
1 40 . 17 1 1 A 3 3 ALA CB C 3 17.784 18.085 -0.301 1
1 41 . 17 1 1 A 3 3 ALA N N 3 124.615 121.514 3.101 1
1 42 . 17 1 1 A 4 4 TYR H H 4 7.717 8.078 -0.361 1
1 43 . 17 1 1 A 4 4 TYR HA H 4 4.465 4.263 0.202 1
1 48 . 17 1 1 A 4 4 TYR C C 4 177.710 176.098 1.612 1
1 49 . 17 1 1 A 4 4 TYR CA C 4 58.648 61.325 -2.677 1
1 50 . 17 1 1 A 4 4 TYR CB C 4 38.838 39.587 -0.749 1
1 53 . 17 1 1 A 4 4 TYR N N 4 117.777 120.917 -3.140 1
1 54 . 17 1 1 A 5 5 GLY H H 5 7.942 8.082 -0.140 1
1 55 . 17 1 1 A 5 5 GLY HA2 H 5 4.373 4.056 0.317 1
1 56 . 17 1 1 A 5 5 GLY HA3 H 5 3.699 4.060 -0.361 1
1 57 . 17 1 1 A 5 5 GLY C C 5 174.273 174.889 -0.616 1
1 58 . 17 1 1 A 5 5 GLY CA C 5 45.019 45.487 -0.468 1
1 59 . 17 1 1 A 5 5 GLY N N 5 105.556 106.761 -1.205 1
1 60 . 17 1 1 A 6 6 ILE H H 6 7.844 7.861 -0.017 1
1 61 . 17 1 1 A 6 6 ILE HA H 6 4.135 4.129 0.006 1
1 71 . 17 1 1 A 6 6 ILE C C 6 174.476 176.554 -2.078 1
1 72 . 17 1 1 A 6 6 ILE CA C 6 59.997 61.464 -1.467 1
1 73 . 17 1 1 A 6 6 ILE CB C 6 37.498 38.013 -0.515 1
1 77 . 17 1 1 A 6 6 ILE N N 6 123.172 122.426 0.746 1
1 78 . 17 1 1 A 7 7 ALA H H 7 8.361 8.668 -0.307 1
1 79 . 17 1 1 A 7 7 ALA HA H 7 4.205 4.259 -0.054 1
1 83 . 17 1 1 A 7 7 ALA C C 7 178.710 178.269 0.441 1
1 84 . 17 1 1 A 7 7 ALA CA C 7 52.736 52.456 0.280 1
1 85 . 17 1 1 A 7 7 ALA CB C 7 19.343 19.398 -0.055 1
1 86 . 17 1 1 A 7 7 ALA N N 7 128.201 129.760 -1.559 1
1 87 . 17 1 1 A 8 8 GLN H H 8 8.929 8.910 0.019 1
1 88 . 17 1 1 A 8 8 GLN HA H 8 3.670 3.988 -0.318 1
1 95 . 17 1 1 A 8 8 GLN C C 8 177.362 179.127 -1.765 1
1 96 . 17 1 1 A 8 8 GLN CA C 8 60.337 58.913 1.424 1
1 97 . 17 1 1 A 8 8 GLN CB C 8 28.290 28.572 -0.282 1
1 100 . 17 1 1 A 8 8 GLN N N 8 121.784 121.837 -0.053 1
1 102 . 17 1 1 A 9 9 GLY H H 9 9.034 8.344 0.690 1
1 103 . 17 1 1 A 9 9 GLY HA2 H 9 3.891 3.740 0.151 1
1 104 . 17 1 1 A 9 9 GLY C C 9 177.273 176.665 0.608 1
1 105 . 17 1 1 A 9 9 GLY CA C 9 47.126 47.387 -0.261 1
1 106 . 17 1 1 A 9 9 GLY N N 9 105.262 109.310 -4.048 1
1 107 . 17 1 1 A 10 10 THR H H 10 7.254 8.117 -0.863 1
1 108 . 17 1 1 A 10 10 THR HA H 10 4.010 4.085 -0.075 1
1 113 . 17 1 1 A 10 10 THR C C 10 175.476 175.879 -0.403 1
1 114 . 17 1 1 A 10 10 THR CA C 10 65.939 65.190 0.749 1
1 115 . 17 1 1 A 10 10 THR CB C 10 68.252 68.813 -0.561 1
1 117 . 17 1 1 A 10 10 THR N N 10 118.993 116.923 2.070 1
1 118 . 17 1 1 A 11 11 ALA H H 11 9.152 8.537 0.615 1
1 119 . 17 1 1 A 11 11 ALA HA H 11 3.759 4.023 -0.264 1
1 123 . 17 1 1 A 11 11 ALA C C 11 178.878 179.068 -0.190 1
1 124 . 17 1 1 A 11 11 ALA CA C 11 55.756 55.865 -0.109 1
1 125 . 17 1 1 A 11 11 ALA CB C 11 19.820 18.325 1.495 1
1 126 . 17 1 1 A 11 11 ALA N N 11 126.026 123.221 2.805 1
1 127 . 17 1 1 A 12 12 GLU H H 12 8.442 8.154 0.288 1
1 128 . 17 1 1 A 12 12 GLU HA H 12 3.748 4.005 -0.257 1
1 133 . 17 1 1 A 12 12 GLU C C 12 179.309 178.880 0.429 1
1 134 . 17 1 1 A 12 12 GLU CA C 12 59.899 59.838 0.061 1
1 135 . 17 1 1 A 12 12 GLU CB C 12 29.713 29.047 0.666 1
1 137 . 17 1 1 A 12 12 GLU N N 12 115.831 118.397 -2.566 1
1 138 . 17 1 1 A 13 13 LYS H H 13 7.253 7.750 -0.497 1
1 139 . 17 1 1 A 13 13 LYS HA H 13 4.147 4.145 0.002 1
1 145 . 17 1 1 A 13 13 LYS C C 13 178.842 178.871 -0.029 1
1 146 . 17 1 1 A 13 13 LYS CA C 13 59.198 59.274 -0.076 1
1 147 . 17 1 1 A 13 13 LYS CB C 13 32.678 32.392 0.286 1
1 150 . 17 1 1 A 13 13 LYS N N 13 119.708 120.207 -0.499 1
1 151 . 17 1 1 A 14 14 VAL H H 14 8.649 8.487 0.162 1
1 152 . 17 1 1 A 14 14 VAL HA H 14 3.368 3.739 -0.371 1
1 160 . 17 1 1 A 14 14 VAL C C 14 177.806 178.284 -0.478 1
1 161 . 17 1 1 A 14 14 VAL CA C 14 67.448 65.910 1.538 1
1 162 . 17 1 1 A 14 14 VAL CB C 14 31.423 31.977 -0.554 1
1 165 . 17 1 1 A 14 14 VAL N N 14 119.012 119.570 -0.558 1
1 166 . 17 1 1 A 15 15 VAL H H 15 8.172 8.354 -0.182 1
1 167 . 17 1 1 A 15 15 VAL HA H 15 3.418 3.522 -0.104 1
1 175 . 17 1 1 A 15 15 VAL C C 15 177.325 178.462 -1.137 1
1 176 . 17 1 1 A 15 15 VAL CA C 15 67.632 66.896 0.736 1
1 177 . 17 1 1 A 15 15 VAL CB C 15 31.168 31.613 -0.445 1
1 180 . 17 1 1 A 15 15 VAL N N 15 117.226 121.020 -3.794 1
1 181 . 17 1 1 A 16 16 SER H H 16 7.804 7.703 0.101 1
1 182 . 17 1 1 A 16 16 SER HA H 16 4.232 4.146 0.086 1
1 185 . 17 1 1 A 16 16 SER C C 16 177.563 177.169 0.394 1
1 186 . 17 1 1 A 16 16 SER CA C 16 61.988 61.300 0.688 1
1 187 . 17 1 1 A 16 16 SER CB C 16 62.781 63.049 -0.268 1
1 188 . 17 1 1 A 16 16 SER N N 16 115.358 115.597 -0.239 1
1 189 . 17 1 1 A 17 17 LEU H H 17 8.089 7.776 0.313 1
1 190 . 17 1 1 A 17 17 LEU HA H 17 4.234 4.078 0.156 1
1 200 . 17 1 1 A 17 17 LEU C C 17 179.382 179.401 -0.019 1
1 201 . 17 1 1 A 17 17 LEU CA C 17 57.908 58.019 -0.111 1
1 202 . 17 1 1 A 17 17 LEU CB C 17 41.459 41.386 0.073 1
1 206 . 17 1 1 A 17 17 LEU N N 17 121.995 121.830 0.165 1
1 207 . 17 1 1 A 18 18 ILE H H 18 8.690 7.968 0.722 1
1 208 . 17 1 1 A 18 18 ILE HA H 18 3.799 3.518 0.281 1
1 218 . 17 1 1 A 18 18 ILE C C 18 181.545 177.876 3.669 1
1 219 . 17 1 1 A 18 18 ILE CA C 18 65.849 65.733 0.116 1
1 220 . 17 1 1 A 18 18 ILE CB C 18 37.844 38.095 -0.251 1
1 224 . 17 1 1 A 18 18 ILE N N 18 121.273 120.827 0.446 1
1 225 . 17 1 1 A 19 19 ASN H H 19 8.663 8.104 0.559 1
1 226 . 17 1 1 A 19 19 ASN HA H 19 4.548 4.523 0.025 1
1 231 . 17 1 1 A 19 19 ASN C C 19 176.165 177.280 -1.115 1
1 232 . 17 1 1 A 19 19 ASN CA C 19 55.365 55.716 -0.351 1
1 233 . 17 1 1 A 19 19 ASN CB C 19 38.196 39.126 -0.930 1
1 235 . 17 1 1 A 19 19 ASN N N 19 120.662 118.951 1.711 1
1 237 . 17 1 1 A 20 20 ALA H H 20 7.564 7.471 0.093 1
1 238 . 17 1 1 A 20 20 ALA HA H 20 4.411 4.219 0.192 1
1 242 . 17 1 1 A 20 20 ALA C C 20 175.860 177.940 -2.080 1
1 243 . 17 1 1 A 20 20 ALA CA C 20 52.478 52.520 -0.042 1
1 244 . 17 1 1 A 20 20 ALA CB C 20 18.668 19.545 -0.877 1
1 245 . 17 1 1 A 20 20 ALA N N 20 120.105 119.295 0.810 1
1 246 . 17 1 1 A 21 21 GLY H H 21 7.959 8.723 -0.764 1
1 247 . 17 1 1 A 21 21 GLY HA2 H 21 4.310 3.930 0.380 1
1 248 . 17 1 1 A 21 21 GLY HA3 H 21 3.804 3.934 -0.130 1
1 249 . 17 1 1 A 21 21 GLY C C 21 175.014 173.578 1.436 1
1 250 . 17 1 1 A 21 21 GLY CA C 21 45.286 46.683 -1.397 1
1 251 . 17 1 1 A 21 21 GLY N N 21 105.589 107.418 -1.829 1
1 252 . 17 1 1 A 22 22 LEU H H 22 7.529 7.715 -0.186 1
1 253 . 17 1 1 A 22 22 LEU HA H 22 4.462 4.852 -0.390 1
1 263 . 17 1 1 A 22 22 LEU C C 22 177.271 175.545 1.726 1
1 264 . 17 1 1 A 22 22 LEU CA C 22 56.388 53.213 3.175 1
1 265 . 17 1 1 A 22 22 LEU CB C 22 42.442 44.712 -2.270 1
1 269 . 17 1 1 A 22 22 LEU N N 22 121.608 115.853 5.755 1
1 270 . 17 1 1 A 23 23 THR H H 23 7.976 8.623 -0.647 1
1 271 . 17 1 1 A 23 23 THR HA H 23 4.335 4.555 -0.220 1
1 276 . 17 1 1 A 23 23 THR C C 23 175.978 176.441 -0.463 1
1 277 . 17 1 1 A 23 23 THR CA C 23 60.185 61.014 -0.829 1
1 278 . 17 1 1 A 23 23 THR CB C 23 71.142 70.195 0.947 1
1 280 . 17 1 1 A 23 23 THR N N 23 108.756 112.980 -4.224 1
1 281 . 17 1 1 A 24 24 VAL H H 24 8.201 8.785 -0.584 1
1 282 . 17 1 1 A 24 24 VAL HA H 24 3.337 3.617 -0.280 1
1 290 . 17 1 1 A 24 24 VAL C C 24 176.772 178.203 -1.431 1
1 291 . 17 1 1 A 24 24 VAL CA C 24 66.172 66.284 -0.112 1
1 292 . 17 1 1 A 24 24 VAL CB C 24 30.752 31.848 -1.096 1
1 295 . 17 1 1 A 24 24 VAL N N 24 119.897 122.977 -3.080 1
1 296 . 17 1 1 A 25 25 GLY H H 25 8.328 8.248 0.080 1
1 297 . 17 1 1 A 25 25 GLY HA2 H 25 3.830 3.816 0.014 1
1 298 . 17 1 1 A 25 25 GLY HA3 H 25 3.722 3.835 -0.113 1
1 299 . 17 1 1 A 25 25 GLY C C 25 177.352 175.874 1.478 1
1 300 . 17 1 1 A 25 25 GLY CA C 25 46.824 47.355 -0.531 1
1 301 . 17 1 1 A 25 25 GLY N N 25 106.836 108.905 -2.069 1
1 302 . 17 1 1 A 26 26 SER H H 26 7.626 8.312 -0.686 1
1 303 . 17 1 1 A 26 26 SER HA H 26 4.286 4.173 0.113 1
1 306 . 17 1 1 A 26 26 SER C C 26 176.160 177.210 -1.050 1
1 307 . 17 1 1 A 26 26 SER CA C 26 61.829 60.897 0.932 1
1 308 . 17 1 1 A 26 26 SER CB C 26 63.022 63.058 -0.036 1
1 309 . 17 1 1 A 26 26 SER N N 26 118.367 116.674 1.693 1
1 310 . 17 1 1 A 27 27 ILE H H 27 8.072 7.946 0.126 1
1 311 . 17 1 1 A 27 27 ILE HA H 27 3.494 3.566 -0.072 1
1 321 . 17 1 1 A 27 27 ILE C C 27 177.364 178.178 -0.814 1
1 322 . 17 1 1 A 27 27 ILE CA C 27 66.333 64.272 2.061 1
1 323 . 17 1 1 A 27 27 ILE CB C 27 38.065 37.205 0.860 1
1 327 . 17 1 1 A 27 27 ILE N N 27 122.663 121.666 0.997 1
1 328 . 17 1 1 A 28 28 ILE H H 28 8.317 7.661 0.656 1
1 329 . 17 1 1 A 28 28 ILE HA H 28 3.790 3.772 0.018 1
1 339 . 17 1 1 A 28 28 ILE C C 28 179.278 177.871 1.407 1
1 340 . 17 1 1 A 28 28 ILE CA C 28 65.107 65.080 0.027 1
1 341 . 17 1 1 A 28 28 ILE CB C 28 38.185 37.605 0.580 1
1 345 . 17 1 1 A 28 28 ILE N N 28 119.722 120.905 -1.183 1
1 346 . 17 1 1 A 29 29 SER H H 29 7.703 7.649 0.054 1
1 347 . 17 1 1 A 29 29 SER HA H 29 4.185 4.114 0.071 1
1 349 . 17 1 1 A 29 29 SER C C 29 176.198 177.006 -0.808 1
1 350 . 17 1 1 A 29 29 SER CA C 29 61.588 61.297 0.291 1
1 351 . 17 1 1 A 29 29 SER CB C 29 63.021 63.044 -0.023 1
1 352 . 17 1 1 A 29 29 SER N N 29 114.967 115.882 -0.915 1
1 353 . 17 1 1 A 30 30 ILE H H 30 7.798 7.397 0.401 1
1 354 . 17 1 1 A 30 30 ILE HA H 30 3.884 3.744 0.140 1
1 364 . 17 1 1 A 30 30 ILE C C 30 177.721 178.033 -0.312 1
1 365 . 17 1 1 A 30 30 ILE CA C 30 64.231 64.704 -0.473 1
1 366 . 17 1 1 A 30 30 ILE CB C 30 39.382 37.730 1.652 1
1 370 . 17 1 1 A 30 30 ILE N N 30 120.517 121.596 -1.079 1
1 371 . 17 1 1 A 31 31 LEU H H 31 8.279 7.579 0.700 1
1 372 . 17 1 1 A 31 31 LEU HA H 31 4.362 3.957 0.405 1
1 382 . 17 1 1 A 31 31 LEU C C 31 178.475 177.417 1.058 1
1 383 . 17 1 1 A 31 31 LEU CA C 31 55.587 57.414 -1.827 1
1 384 . 17 1 1 A 31 31 LEU CB C 31 39.699 42.157 -2.458 1
1 388 . 17 1 1 A 31 31 LEU N N 31 117.941 119.816 -1.875 1
1 389 . 17 1 1 A 32 32 GLY H H 32 8.219 8.620 -0.401 1
1 390 . 17 1 1 A 32 32 GLY HA2 H 32 4.123 3.865 0.258 1
1 391 . 17 1 1 A 32 32 GLY HA3 H 32 3.878 3.868 0.010 1
1 392 . 17 1 1 A 32 32 GLY C C 32 175.512 175.197 0.315 1
1 393 . 17 1 1 A 32 32 GLY CA C 32 45.604 46.850 -1.246 1
1 394 . 17 1 1 A 32 32 GLY N N 32 107.591 107.588 0.003 1
1 395 . 17 1 1 A 33 33 GLY H H 33 8.667 7.658 1.009 1
1 396 . 17 1 1 A 33 33 GLY HA2 H 33 4.062 4.167 -0.105 1
1 397 . 17 1 1 A 33 33 GLY HA3 H 33 3.879 4.167 -0.288 1
1 398 . 17 1 1 A 33 33 GLY C C 33 175.510 174.013 1.497 1
1 399 . 17 1 1 A 33 33 GLY CA C 33 46.603 45.679 0.924 1
1 400 . 17 1 1 A 33 33 GLY N N 33 109.700 105.701 3.999 1
1 401 . 17 1 1 A 34 34 VAL H H 34 8.049 7.961 0.088 1
1 402 . 17 1 1 A 34 34 VAL HA H 34 4.309 3.810 0.499 1
1 410 . 17 1 1 A 34 34 VAL C C 34 176.726 176.093 0.633 1
1 411 . 17 1 1 A 34 34 VAL CA C 34 62.780 62.937 -0.157 1
1 412 . 17 1 1 A 34 34 VAL CB C 34 32.022 29.997 2.025 1
1 415 . 17 1 1 A 34 34 VAL N N 34 117.737 113.981 3.756 1
1 416 . 17 1 1 A 35 35 THR H H 35 8.141 8.102 0.039 1
1 417 . 17 1 1 A 35 35 THR HA H 35 4.239 4.328 -0.089 1
1 422 . 17 1 1 A 35 35 THR C C 35 174.905 175.726 -0.821 1
1 423 . 17 1 1 A 35 35 THR CA C 35 62.571 62.654 -0.083 1
1 424 . 17 1 1 A 35 35 THR CB C 35 69.247 69.106 0.141 1
1 426 . 17 1 1 A 35 35 THR N N 35 111.884 112.922 -1.038 1
1 427 . 17 1 1 A 36 36 VAL H H 36 7.560 8.020 -0.460 1
1 428 . 17 1 1 A 36 36 VAL HA H 36 3.940 3.941 -0.001 1
1 436 . 17 1 1 A 36 36 VAL C C 36 177.003 178.212 -1.209 1
1 437 . 17 1 1 A 36 36 VAL CA C 36 64.440 65.381 -0.941 1
1 438 . 17 1 1 A 36 36 VAL CB C 36 31.926 31.259 0.667 1
1 441 . 17 1 1 A 36 36 VAL N N 36 120.063 122.371 -2.308 1
1 442 . 17 1 1 A 37 37 GLY H H 37 8.427 8.373 0.054 1
1 443 . 17 1 1 A 37 37 GLY HA2 H 37 4.143 3.625 0.518 1
1 444 . 17 1 1 A 37 37 GLY HA3 H 37 4.077 3.636 0.441 1
1 445 . 17 1 1 A 37 37 GLY C C 37 176.084 175.389 0.695 1
1 446 . 17 1 1 A 37 37 GLY CA C 37 45.593 47.360 -1.767 1
1 447 . 17 1 1 A 37 37 GLY N N 37 110.570 110.364 0.206 1
1 448 . 17 1 1 A 38 38 LEU H H 38 8.157 8.191 -0.034 1
1 449 . 17 1 1 A 38 38 LEU HA H 38 4.094 4.118 -0.024 1
1 458 . 17 1 1 A 38 38 LEU C C 38 177.948 179.310 -1.362 1
1 459 . 17 1 1 A 38 38 LEU CA C 38 56.472 57.160 -0.688 1
1 460 . 17 1 1 A 38 38 LEU CB C 38 42.644 41.443 1.201 1
1 464 . 17 1 1 A 38 38 LEU N N 38 121.095 122.953 -1.858 1
1 465 . 17 1 1 A 39 39 SER H H 39 8.417 7.880 0.537 1
1 466 . 17 1 1 A 39 39 SER HA H 39 3.921 4.200 -0.279 1
1 469 . 17 1 1 A 39 39 SER C C 39 176.742 177.134 -0.392 1
1 470 . 17 1 1 A 39 39 SER CA C 39 62.250 61.155 1.095 1
1 471 . 17 1 1 A 39 39 SER CB C 39 62.228 62.956 -0.728 1
1 472 . 17 1 1 A 39 39 SER N N 39 113.122 114.602 -1.480 1
1 473 . 17 1 1 A 40 40 GLY H H 40 8.169 8.124 0.045 1
1 474 . 17 1 1 A 40 40 GLY HA2 H 40 4.108 3.909 0.199 1
1 475 . 17 1 1 A 40 40 GLY HA3 H 40 3.990 3.910 0.080 1
1 476 . 17 1 1 A 40 40 GLY C C 40 175.225 175.125 0.100 1
1 477 . 17 1 1 A 40 40 GLY CA C 40 46.354 46.447 -0.093 1
1 478 . 17 1 1 A 40 40 GLY N N 40 107.856 107.267 0.589 1
1 479 . 17 1 1 A 41 41 VAL H H 41 7.321 7.933 -0.612 1
1 480 . 17 1 1 A 41 41 VAL HA H 41 4.482 3.858 0.624 1
1 488 . 17 1 1 A 41 41 VAL C C 41 176.112 177.798 -1.686 1
1 489 . 17 1 1 A 41 41 VAL CA C 41 61.490 65.057 -3.567 1
1 490 . 17 1 1 A 41 41 VAL CB C 41 33.211 31.588 1.623 1
1 493 . 17 1 1 A 41 41 VAL N N 41 114.922 120.651 -5.729 1
1 494 . 17 1 1 A 42 42 PHE H H 42 7.832 8.191 -0.359 1
1 495 . 17 1 1 A 42 42 PHE HA H 42 3.890 4.005 -0.115 1
1 501 . 17 1 1 A 42 42 PHE C C 42 176.656 177.141 -0.485 1
1 502 . 17 1 1 A 42 42 PHE CA C 42 62.384 61.642 0.742 1
1 503 . 17 1 1 A 42 42 PHE CB C 42 39.677 39.188 0.489 1
1 507 . 17 1 1 A 42 42 PHE N N 42 122.726 121.244 1.482 1
1 508 . 17 1 1 A 43 43 THR H H 43 8.606 8.322 0.284 1
1 509 . 17 1 1 A 43 43 THR HA H 43 3.771 4.117 -0.346 1
1 514 . 17 1 1 A 43 43 THR C C 43 176.755 177.018 -0.263 1
1 515 . 17 1 1 A 43 43 THR CA C 43 66.787 65.224 1.563 1
1 516 . 17 1 1 A 43 43 THR CB C 43 68.302 68.154 0.148 1
1 518 . 17 1 1 A 43 43 THR N N 43 113.613 112.121 1.492 1
1 519 . 17 1 1 A 44 44 ALA H H 44 7.860 8.000 -0.140 1
1 520 . 17 1 1 A 44 44 ALA HA H 44 4.203 4.032 0.171 1
1 524 . 17 1 1 A 44 44 ALA C C 44 181.044 180.271 0.773 1
1 525 . 17 1 1 A 44 44 ALA CA C 44 54.896 55.188 -0.292 1
1 526 . 17 1 1 A 44 44 ALA CB C 44 17.985 18.058 -0.073 1
1 527 . 17 1 1 A 44 44 ALA N N 44 125.406 124.357 1.049 1
1 528 . 17 1 1 A 45 45 VAL H H 45 8.391 7.734 0.657 1
1 529 . 17 1 1 A 45 45 VAL HA H 45 3.565 3.370 0.195 1
1 537 . 17 1 1 A 45 45 VAL C C 45 177.079 177.512 -0.433 1
1 538 . 17 1 1 A 45 45 VAL CA C 45 66.523 66.677 -0.154 1
1 539 . 17 1 1 A 45 45 VAL CB C 45 31.323 31.339 -0.016 1
1 542 . 17 1 1 A 45 45 VAL N N 45 120.467 118.123 2.344 1
1 543 . 17 1 1 A 46 46 LYS H H 46 8.270 8.187 0.083 1
1 544 . 17 1 1 A 46 46 LYS HA H 46 3.699 3.758 -0.059 1
1 550 . 17 1 1 A 46 46 LYS C C 46 179.171 178.402 0.769 1
1 551 . 17 1 1 A 46 46 LYS CA C 46 60.606 59.077 1.529 1
1 552 . 17 1 1 A 46 46 LYS CB C 46 32.057 32.271 -0.214 1
1 556 . 17 1 1 A 46 46 LYS N N 46 120.461 119.754 0.707 1
1 557 . 17 1 1 A 47 47 ALA H H 47 7.854 7.873 -0.019 1
1 558 . 17 1 1 A 47 47 ALA HA H 47 4.192 4.016 0.176 1
1 562 . 17 1 1 A 47 47 ALA C C 47 179.565 179.752 -0.187 1
1 563 . 17 1 1 A 47 47 ALA CA C 47 54.782 54.871 -0.089 1
1 564 . 17 1 1 A 47 47 ALA CB C 47 18.004 18.078 -0.074 1
1 565 . 17 1 1 A 47 47 ALA N N 47 120.799 120.553 0.246 1
1 566 . 17 1 1 A 48 48 ALA H H 48 7.931 7.634 0.297 1
1 567 . 17 1 1 A 48 48 ALA HA H 48 4.232 4.102 0.130 1
1 571 . 17 1 1 A 48 48 ALA C C 48 180.197 179.777 0.420 1
1 572 . 17 1 1 A 48 48 ALA CA C 48 55.028 54.976 0.052 1
1 573 . 17 1 1 A 48 48 ALA CB C 48 17.968 18.521 -0.553 1
1 574 . 17 1 1 A 48 48 ALA N N 48 120.585 120.215 0.370 1
1 575 . 17 1 1 A 49 49 ILE H H 49 8.270 7.861 0.409 1
1 576 . 17 1 1 A 49 49 ILE HA H 49 3.190 3.474 -0.284 1
1 586 . 17 1 1 A 49 49 ILE C C 49 177.762 177.969 -0.207 1
1 587 . 17 1 1 A 49 49 ILE CA C 49 66.396 65.421 0.975 1
1 588 . 17 1 1 A 49 49 ILE CB C 49 38.698 37.672 1.026 1
1 592 . 17 1 1 A 49 49 ILE N N 49 118.535 119.960 -1.425 1
1 593 . 17 1 1 A 50 50 ALA H H 50 7.198 8.301 -1.103 1
1 594 . 17 1 1 A 50 50 ALA HA H 50 4.154 4.043 0.111 1
1 598 . 17 1 1 A 50 50 ALA C C 50 179.323 179.599 -0.276 1
1 599 . 17 1 1 A 50 50 ALA CA C 50 54.684 54.744 -0.060 1
1 600 . 17 1 1 A 50 50 ALA CB C 50 18.877 18.136 0.741 1
1 601 . 17 1 1 A 50 50 ALA N N 50 118.853 121.569 -2.716 1
1 602 . 17 1 1 A 51 51 LYS H H 51 8.047 7.434 0.613 1
1 603 . 17 1 1 A 51 51 LYS HA H 51 4.372 4.155 0.217 1
1 609 . 17 1 1 A 51 51 LYS C C 51 177.694 177.479 0.215 1
1 610 . 17 1 1 A 51 51 LYS CA C 51 57.678 58.997 -1.319 1
1 611 . 17 1 1 A 51 51 LYS CB C 51 34.279 33.008 1.271 1
1 615 . 17 1 1 A 51 51 LYS N N 51 114.606 117.402 -2.796 1
1 616 . 17 1 1 A 52 52 GLN H H 52 8.707 8.384 0.323 1
1 617 . 17 1 1 A 52 52 GLN HA H 52 4.592 4.459 0.133 1
1 624 . 17 1 1 A 52 52 GLN C C 52 176.792 175.923 0.869 1
1 625 . 17 1 1 A 52 52 GLN CA C 52 56.454 56.971 -0.517 1
1 626 . 17 1 1 A 52 52 GLN CB C 52 31.792 31.219 0.573 1
1 629 . 17 1 1 A 52 52 GLN N N 52 115.942 116.074 -0.132 1
1 631 . 17 1 1 A 53 53 GLY H H 53 8.045 7.334 0.711 1
1 632 . 17 1 1 A 53 53 GLY HA2 H 53 4.568 4.081 0.487 1
1 633 . 17 1 1 A 53 53 GLY HA3 H 53 4.066 4.085 -0.019 1
1 634 . 17 1 1 A 53 53 GLY C C 53 173.741 174.637 -0.896 1
1 635 . 17 1 1 A 53 53 GLY CA C 53 44.553 45.758 -1.205 1
1 636 . 17 1 1 A 53 53 GLY N N 53 110.313 103.329 6.984 1
1 637 . 17 1 1 A 54 54 ILE H H 54 8.281 8.669 -0.388 1
1 638 . 17 1 1 A 54 54 ILE HA H 54 3.583 3.740 -0.157 1
1 648 . 17 1 1 A 54 54 ILE C C 54 177.313 177.925 -0.612 1
1 649 . 17 1 1 A 54 54 ILE CA C 54 65.253 64.315 0.938 1
1 650 . 17 1 1 A 54 54 ILE CB C 54 38.489 37.720 0.769 1
1 654 . 17 1 1 A 54 54 ILE N N 54 117.579 119.603 -2.024 1
1 655 . 17 1 1 A 55 55 LYS H H 55 8.334 8.282 0.052 1
1 656 . 17 1 1 A 55 55 LYS HA H 55 3.955 4.045 -0.090 1
1 663 . 17 1 1 A 55 55 LYS C C 55 180.026 178.733 1.293 1
1 664 . 17 1 1 A 55 55 LYS CA C 55 60.343 59.176 1.167 1
1 665 . 17 1 1 A 55 55 LYS CB C 55 31.693 32.262 -0.569 1
1 669 . 17 1 1 A 55 55 LYS N N 55 119.039 122.989 -3.950 1
1 670 . 17 1 1 A 56 56 LYS H H 56 7.987 7.666 0.321 1
1 671 . 17 1 1 A 56 56 LYS HA H 56 4.130 4.096 0.034 1
1 677 . 17 1 1 A 56 56 LYS C C 56 178.612 179.040 -0.428 1
1 678 . 17 1 1 A 56 56 LYS CA C 56 57.715 58.360 -0.645 1
1 679 . 17 1 1 A 56 56 LYS CB C 56 31.714 32.042 -0.328 1
1 683 . 17 1 1 A 56 56 LYS N N 56 119.113 119.511 -0.398 1
1 684 . 17 1 1 A 57 57 ALA H H 57 7.735 7.820 -0.085 1
1 685 . 17 1 1 A 57 57 ALA HA H 57 3.911 3.973 -0.062 1
1 689 . 17 1 1 A 57 57 ALA C C 57 178.713 180.375 -1.662 1
1 690 . 17 1 1 A 57 57 ALA CA C 57 55.568 54.978 0.590 1
1 691 . 17 1 1 A 57 57 ALA CB C 57 19.922 18.203 1.719 1
1 692 . 17 1 1 A 57 57 ALA N N 57 122.357 121.231 1.126 1
1 693 . 17 1 1 A 58 58 ILE H H 58 8.257 7.564 0.693 1
1 694 . 17 1 1 A 58 58 ILE HA H 58 3.452 3.567 -0.115 1
1 704 . 17 1 1 A 58 58 ILE C C 58 177.688 177.948 -0.260 1
1 705 . 17 1 1 A 58 58 ILE CA C 58 66.157 65.579 0.578 1
1 706 . 17 1 1 A 58 58 ILE CB C 58 38.306 37.915 0.391 1
1 710 . 17 1 1 A 58 58 ILE N N 58 117.279 119.034 -1.755 1
1 711 . 17 1 1 A 59 59 GLN H H 59 7.752 8.344 -0.592 1
1 712 . 17 1 1 A 59 59 GLN HA H 59 3.916 4.144 -0.228 1
1 719 . 17 1 1 A 59 59 GLN C C 59 178.976 179.018 -0.042 1
1 720 . 17 1 1 A 59 59 GLN CA C 59 59.112 58.840 0.272 1
1 721 . 17 1 1 A 59 59 GLN CB C 59 28.189 28.279 -0.090 1
1 724 . 17 1 1 A 59 59 GLN N N 59 117.533 118.076 -0.543 1
1 18 . 18 1 1 A 2 2 VAL H H 2 8.475 8.211 0.264 1
1 19 . 18 1 1 A 2 2 VAL HA H 2 4.528 3.912 0.616 1
1 27 . 18 1 1 A 2 2 VAL C C 2 181.462 178.054 3.408 1
1 28 . 18 1 1 A 2 2 VAL CA C 2 65.162 66.625 -1.463 1
1 29 . 18 1 1 A 2 2 VAL CB C 2 31.895 31.626 0.269 1
1 32 . 18 1 1 A 2 2 VAL N N 2 121.849 117.175 4.674 1
1 33 . 18 1 1 A 3 3 ALA H H 3 8.256 8.526 -0.270 1
1 34 . 18 1 1 A 3 3 ALA HA H 3 4.173 4.163 0.010 1
1 38 . 18 1 1 A 3 3 ALA C C 3 179.402 179.439 -0.037 1
1 39 . 18 1 1 A 3 3 ALA CA C 3 54.725 54.974 -0.249 1
1 40 . 18 1 1 A 3 3 ALA CB C 3 17.784 18.121 -0.337 1
1 41 . 18 1 1 A 3 3 ALA N N 3 124.615 121.498 3.117 1
1 42 . 18 1 1 A 4 4 TYR H H 4 7.717 8.070 -0.353 1
1 43 . 18 1 1 A 4 4 TYR HA H 4 4.465 4.261 0.204 1
1 48 . 18 1 1 A 4 4 TYR C C 4 177.710 176.100 1.610 1
1 49 . 18 1 1 A 4 4 TYR CA C 4 58.648 61.321 -2.673 1
1 50 . 18 1 1 A 4 4 TYR CB C 4 38.838 39.584 -0.746 1
1 53 . 18 1 1 A 4 4 TYR N N 4 117.777 120.916 -3.139 1
1 54 . 18 1 1 A 5 5 GLY H H 5 7.942 8.038 -0.096 1
1 55 . 18 1 1 A 5 5 GLY HA2 H 5 4.373 4.055 0.318 1
1 56 . 18 1 1 A 5 5 GLY HA3 H 5 3.699 4.057 -0.358 1
1 57 . 18 1 1 A 5 5 GLY C C 5 174.273 174.869 -0.596 1
1 58 . 18 1 1 A 5 5 GLY CA C 5 45.019 45.532 -0.513 1
1 59 . 18 1 1 A 5 5 GLY N N 5 105.556 106.724 -1.168 1
1 60 . 18 1 1 A 6 6 ILE H H 6 7.844 7.815 0.029 1
1 61 . 18 1 1 A 6 6 ILE HA H 6 4.135 4.098 0.037 1
1 71 . 18 1 1 A 6 6 ILE C C 6 174.476 176.451 -1.975 1
1 72 . 18 1 1 A 6 6 ILE CA C 6 59.997 61.340 -1.343 1
1 73 . 18 1 1 A 6 6 ILE CB C 6 37.498 38.211 -0.713 1
1 77 . 18 1 1 A 6 6 ILE N N 6 123.172 122.258 0.914 1
1 78 . 18 1 1 A 7 7 ALA H H 7 8.361 8.741 -0.380 1
1 79 . 18 1 1 A 7 7 ALA HA H 7 4.205 4.195 0.010 1
1 83 . 18 1 1 A 7 7 ALA C C 7 178.710 178.959 -0.249 1
1 84 . 18 1 1 A 7 7 ALA CA C 7 52.736 52.917 -0.181 1
1 85 . 18 1 1 A 7 7 ALA CB C 7 19.343 19.435 -0.092 1
1 86 . 18 1 1 A 7 7 ALA N N 7 128.201 130.390 -2.189 1
1 87 . 18 1 1 A 8 8 GLN H H 8 8.929 8.762 0.167 1
1 88 . 18 1 1 A 8 8 GLN HA H 8 3.670 4.090 -0.420 1
1 95 . 18 1 1 A 8 8 GLN C C 8 177.362 178.201 -0.839 1
1 96 . 18 1 1 A 8 8 GLN CA C 8 60.337 58.117 2.220 1
1 97 . 18 1 1 A 8 8 GLN CB C 8 28.290 28.209 0.081 1
1 100 . 18 1 1 A 8 8 GLN N N 8 121.784 122.492 -0.708 1
1 102 . 18 1 1 A 9 9 GLY H H 9 9.034 8.248 0.786 1
1 103 . 18 1 1 A 9 9 GLY HA2 H 9 3.891 3.782 0.109 1
1 104 . 18 1 1 A 9 9 GLY C C 9 177.273 176.409 0.864 1
1 105 . 18 1 1 A 9 9 GLY CA C 9 47.126 47.384 -0.258 1
1 106 . 18 1 1 A 9 9 GLY N N 9 105.262 109.152 -3.890 1
1 107 . 18 1 1 A 10 10 THR H H 10 7.254 8.167 -0.913 1
1 108 . 18 1 1 A 10 10 THR HA H 10 4.010 4.069 -0.059 1
1 113 . 18 1 1 A 10 10 THR C C 10 175.476 176.248 -0.772 1
1 114 . 18 1 1 A 10 10 THR CA C 10 65.939 65.224 0.715 1
1 115 . 18 1 1 A 10 10 THR CB C 10 68.252 68.733 -0.481 1
1 117 . 18 1 1 A 10 10 THR N N 10 118.993 116.664 2.329 1
1 118 . 18 1 1 A 11 11 ALA H H 11 9.152 8.575 0.577 1
1 119 . 18 1 1 A 11 11 ALA HA H 11 3.759 3.988 -0.229 1
1 123 . 18 1 1 A 11 11 ALA C C 11 178.878 179.854 -0.976 1
1 124 . 18 1 1 A 11 11 ALA CA C 11 55.756 55.247 0.509 1
1 125 . 18 1 1 A 11 11 ALA CB C 11 19.820 18.422 1.398 1
1 126 . 18 1 1 A 11 11 ALA N N 11 126.026 123.028 2.998 1
1 127 . 18 1 1 A 12 12 GLU H H 12 8.442 7.831 0.611 1
1 128 . 18 1 1 A 12 12 GLU HA H 12 3.748 3.953 -0.205 1
1 133 . 18 1 1 A 12 12 GLU C C 12 179.309 179.066 0.243 1
1 134 . 18 1 1 A 12 12 GLU CA C 12 59.899 59.712 0.187 1
1 135 . 18 1 1 A 12 12 GLU CB C 12 29.713 29.206 0.507 1
1 137 . 18 1 1 A 12 12 GLU N N 12 115.831 117.901 -2.070 1
1 138 . 18 1 1 A 13 13 LYS H H 13 7.253 8.053 -0.800 1
1 139 . 18 1 1 A 13 13 LYS HA H 13 4.147 4.089 0.058 1
1 145 . 18 1 1 A 13 13 LYS C C 13 178.842 179.037 -0.195 1
1 146 . 18 1 1 A 13 13 LYS CA C 13 59.198 59.281 -0.083 1
1 147 . 18 1 1 A 13 13 LYS CB C 13 32.678 31.770 0.908 1
1 150 . 18 1 1 A 13 13 LYS N N 13 119.708 118.817 0.891 1
1 151 . 18 1 1 A 14 14 VAL H H 14 8.649 8.036 0.613 1
1 152 . 18 1 1 A 14 14 VAL HA H 14 3.368 3.738 -0.370 1
1 160 . 18 1 1 A 14 14 VAL C C 14 177.806 178.252 -0.446 1
1 161 . 18 1 1 A 14 14 VAL CA C 14 67.448 66.320 1.128 1
1 162 . 18 1 1 A 14 14 VAL CB C 14 31.423 31.676 -0.253 1
1 165 . 18 1 1 A 14 14 VAL N N 14 119.012 120.687 -1.675 1
1 166 . 18 1 1 A 15 15 VAL H H 15 8.172 8.183 -0.011 1
1 167 . 18 1 1 A 15 15 VAL HA H 15 3.418 3.553 -0.135 1
1 175 . 18 1 1 A 15 15 VAL C C 15 177.325 178.291 -0.966 1
1 176 . 18 1 1 A 15 15 VAL CA C 15 67.632 66.658 0.974 1
1 177 . 18 1 1 A 15 15 VAL CB C 15 31.168 31.388 -0.220 1
1 180 . 18 1 1 A 15 15 VAL N N 15 117.226 120.664 -3.438 1
1 181 . 18 1 1 A 16 16 SER H H 16 7.804 8.143 -0.339 1
1 182 . 18 1 1 A 16 16 SER HA H 16 4.232 4.161 0.071 1
1 185 . 18 1 1 A 16 16 SER C C 16 177.563 177.303 0.260 1
1 186 . 18 1 1 A 16 16 SER CA C 16 61.988 61.294 0.694 1
1 187 . 18 1 1 A 16 16 SER CB C 16 62.781 63.045 -0.264 1
1 188 . 18 1 1 A 16 16 SER N N 16 115.358 115.722 -0.364 1
1 189 . 18 1 1 A 17 17 LEU H H 17 8.089 7.846 0.243 1
1 190 . 18 1 1 A 17 17 LEU HA H 17 4.234 4.036 0.198 1
1 200 . 18 1 1 A 17 17 LEU C C 17 179.382 179.150 0.232 1
1 201 . 18 1 1 A 17 17 LEU CA C 17 57.908 58.064 -0.156 1
1 202 . 18 1 1 A 17 17 LEU CB C 17 41.459 41.672 -0.213 1
1 206 . 18 1 1 A 17 17 LEU N N 17 121.995 121.936 0.059 1
1 207 . 18 1 1 A 18 18 ILE H H 18 8.690 7.900 0.790 1
1 208 . 18 1 1 A 18 18 ILE HA H 18 3.799 3.535 0.264 1
1 218 . 18 1 1 A 18 18 ILE C C 18 181.545 177.794 3.751 1
1 219 . 18 1 1 A 18 18 ILE CA C 18 65.849 65.779 0.070 1
1 220 . 18 1 1 A 18 18 ILE CB C 18 37.844 38.140 -0.296 1
1 224 . 18 1 1 A 18 18 ILE N N 18 121.273 120.407 0.866 1
1 225 . 18 1 1 A 19 19 ASN H H 19 8.663 8.271 0.392 1
1 226 . 18 1 1 A 19 19 ASN HA H 19 4.548 4.471 0.077 1
1 231 . 18 1 1 A 19 19 ASN C C 19 176.165 177.336 -1.171 1
1 232 . 18 1 1 A 19 19 ASN CA C 19 55.365 56.210 -0.845 1
1 233 . 18 1 1 A 19 19 ASN CB C 19 38.196 39.282 -1.086 1
1 235 . 18 1 1 A 19 19 ASN N N 19 120.662 118.848 1.814 1
1 237 . 18 1 1 A 20 20 ALA H H 20 7.564 7.201 0.363 1
1 238 . 18 1 1 A 20 20 ALA HA H 20 4.411 4.256 0.155 1
1 242 . 18 1 1 A 20 20 ALA C C 20 175.860 177.873 -2.013 1
1 243 . 18 1 1 A 20 20 ALA CA C 20 52.478 52.378 0.100 1
1 244 . 18 1 1 A 20 20 ALA CB C 20 18.668 19.624 -0.956 1
1 245 . 18 1 1 A 20 20 ALA N N 20 120.105 118.774 1.331 1
1 246 . 18 1 1 A 21 21 GLY H H 21 7.959 8.270 -0.311 1
1 247 . 18 1 1 A 21 21 GLY HA2 H 21 4.310 3.948 0.362 1
1 248 . 18 1 1 A 21 21 GLY HA3 H 21 3.804 3.954 -0.150 1
1 249 . 18 1 1 A 21 21 GLY C C 21 175.014 174.700 0.314 1
1 250 . 18 1 1 A 21 21 GLY CA C 21 45.286 45.623 -0.337 1
1 251 . 18 1 1 A 21 21 GLY N N 21 105.589 107.108 -1.519 1
1 252 . 18 1 1 A 22 22 LEU H H 22 7.529 7.358 0.171 1
1 253 . 18 1 1 A 22 22 LEU HA H 22 4.462 4.429 0.033 1
1 263 . 18 1 1 A 22 22 LEU C C 22 177.271 177.299 -0.028 1
1 264 . 18 1 1 A 22 22 LEU CA C 22 56.388 54.735 1.653 1
1 265 . 18 1 1 A 22 22 LEU CB C 22 42.442 42.628 -0.186 1
1 269 . 18 1 1 A 22 22 LEU N N 22 121.608 121.963 -0.355 1
1 270 . 18 1 1 A 23 23 THR H H 23 7.976 8.652 -0.676 1
1 271 . 18 1 1 A 23 23 THR HA H 23 4.335 4.802 -0.467 1
1 276 . 18 1 1 A 23 23 THR C C 23 175.978 175.504 0.474 1
1 277 . 18 1 1 A 23 23 THR CA C 23 60.185 60.585 -0.400 1
1 278 . 18 1 1 A 23 23 THR CB C 23 71.142 70.800 0.342 1
1 280 . 18 1 1 A 23 23 THR N N 23 108.756 114.587 -5.831 1
1 281 . 18 1 1 A 24 24 VAL H H 24 8.201 8.738 -0.537 1
1 282 . 18 1 1 A 24 24 VAL HA H 24 3.337 3.721 -0.384 1
1 290 . 18 1 1 A 24 24 VAL C C 24 176.772 177.834 -1.062 1
1 291 . 18 1 1 A 24 24 VAL CA C 24 66.172 65.899 0.273 1
1 292 . 18 1 1 A 24 24 VAL CB C 24 30.752 31.582 -0.830 1
1 295 . 18 1 1 A 24 24 VAL N N 24 119.897 122.248 -2.351 1
1 296 . 18 1 1 A 25 25 GLY H H 25 8.328 8.268 0.060 1
1 297 . 18 1 1 A 25 25 GLY HA2 H 25 3.830 3.795 0.035 1
1 298 . 18 1 1 A 25 25 GLY HA3 H 25 3.722 3.816 -0.094 1
1 299 . 18 1 1 A 25 25 GLY C C 25 177.352 176.014 1.338 1
1 300 . 18 1 1 A 25 25 GLY CA C 25 46.824 47.324 -0.500 1
1 301 . 18 1 1 A 25 25 GLY N N 25 106.836 109.057 -2.221 1
1 302 . 18 1 1 A 26 26 SER H H 26 7.626 8.115 -0.489 1
1 303 . 18 1 1 A 26 26 SER HA H 26 4.286 4.173 0.113 1
1 306 . 18 1 1 A 26 26 SER C C 26 176.160 177.253 -1.093 1
1 307 . 18 1 1 A 26 26 SER CA C 26 61.829 60.919 0.910 1
1 308 . 18 1 1 A 26 26 SER CB C 26 63.022 63.013 0.009 1
1 309 . 18 1 1 A 26 26 SER N N 26 118.367 116.999 1.368 1
1 310 . 18 1 1 A 27 27 ILE H H 27 8.072 7.166 0.906 1
1 311 . 18 1 1 A 27 27 ILE HA H 27 3.494 3.491 0.003 1
1 321 . 18 1 1 A 27 27 ILE C C 27 177.364 178.167 -0.803 1
1 322 . 18 1 1 A 27 27 ILE CA C 27 66.333 64.679 1.654 1
1 323 . 18 1 1 A 27 27 ILE CB C 27 38.065 37.473 0.592 1
1 327 . 18 1 1 A 27 27 ILE N N 27 122.663 121.969 0.694 1
1 328 . 18 1 1 A 28 28 ILE H H 28 8.317 8.068 0.249 1
1 329 . 18 1 1 A 28 28 ILE HA H 28 3.790 3.744 0.046 1
1 339 . 18 1 1 A 28 28 ILE C C 28 179.278 178.114 1.164 1
1 340 . 18 1 1 A 28 28 ILE CA C 28 65.107 65.064 0.043 1
1 341 . 18 1 1 A 28 28 ILE CB C 28 38.185 37.574 0.611 1
1 345 . 18 1 1 A 28 28 ILE N N 28 119.722 120.659 -0.937 1
1 346 . 18 1 1 A 29 29 SER H H 29 7.703 7.495 0.208 1
1 347 . 18 1 1 A 29 29 SER HA H 29 4.185 4.125 0.060 1
1 349 . 18 1 1 A 29 29 SER C C 29 176.198 176.619 -0.421 1
1 350 . 18 1 1 A 29 29 SER CA C 29 61.588 62.438 -0.850 1
1 351 . 18 1 1 A 29 29 SER CB C 29 63.021 62.779 0.242 1
1 352 . 18 1 1 A 29 29 SER N N 29 114.967 115.954 -0.987 1
1 353 . 18 1 1 A 30 30 ILE H H 30 7.798 7.672 0.126 1
1 354 . 18 1 1 A 30 30 ILE HA H 30 3.884 3.679 0.205 1
1 364 . 18 1 1 A 30 30 ILE C C 30 177.721 178.119 -0.398 1
1 365 . 18 1 1 A 30 30 ILE CA C 30 64.231 65.101 -0.870 1
1 366 . 18 1 1 A 30 30 ILE CB C 30 39.382 37.740 1.642 1
1 370 . 18 1 1 A 30 30 ILE N N 30 120.517 121.383 -0.866 1
1 371 . 18 1 1 A 31 31 LEU H H 31 8.279 7.559 0.720 1
1 372 . 18 1 1 A 31 31 LEU HA H 31 4.362 4.007 0.355 1
1 382 . 18 1 1 A 31 31 LEU C C 31 178.475 177.409 1.066 1
1 383 . 18 1 1 A 31 31 LEU CA C 31 55.587 57.158 -1.571 1
1 384 . 18 1 1 A 31 31 LEU CB C 31 39.699 42.278 -2.579 1
1 388 . 18 1 1 A 31 31 LEU N N 31 117.941 119.430 -1.489 1
1 389 . 18 1 1 A 32 32 GLY H H 32 8.219 8.367 -0.148 1
1 390 . 18 1 1 A 32 32 GLY HA2 H 32 4.123 3.863 0.260 1
1 391 . 18 1 1 A 32 32 GLY HA3 H 32 3.878 3.866 0.012 1
1 392 . 18 1 1 A 32 32 GLY C C 32 175.512 175.414 0.098 1
1 393 . 18 1 1 A 32 32 GLY CA C 32 45.604 46.742 -1.138 1
1 394 . 18 1 1 A 32 32 GLY N N 32 107.591 107.524 0.067 1
1 395 . 18 1 1 A 33 33 GLY H H 33 8.667 7.771 0.896 1
1 396 . 18 1 1 A 33 33 GLY HA2 H 33 4.062 4.238 -0.176 1
1 397 . 18 1 1 A 33 33 GLY HA3 H 33 3.879 4.239 -0.360 1
1 398 . 18 1 1 A 33 33 GLY C C 33 175.510 173.462 2.048 1
1 399 . 18 1 1 A 33 33 GLY CA C 33 46.603 45.733 0.870 1
1 400 . 18 1 1 A 33 33 GLY N N 33 109.700 106.741 2.959 1
1 401 . 18 1 1 A 34 34 VAL H H 34 8.049 8.018 0.031 1
1 402 . 18 1 1 A 34 34 VAL HA H 34 4.309 3.704 0.605 1
1 410 . 18 1 1 A 34 34 VAL C C 34 176.726 175.825 0.901 1
1 411 . 18 1 1 A 34 34 VAL CA C 34 62.780 62.873 -0.093 1
1 412 . 18 1 1 A 34 34 VAL CB C 34 32.022 30.035 1.987 1
1 415 . 18 1 1 A 34 34 VAL N N 34 117.737 113.816 3.921 1
1 416 . 18 1 1 A 35 35 THR H H 35 8.141 8.207 -0.066 1
1 417 . 18 1 1 A 35 35 THR HA H 35 4.239 4.340 -0.101 1
1 422 . 18 1 1 A 35 35 THR C C 35 174.905 174.926 -0.021 1
1 423 . 18 1 1 A 35 35 THR CA C 35 62.571 62.214 0.357 1
1 424 . 18 1 1 A 35 35 THR CB C 35 69.247 69.304 -0.057 1
1 426 . 18 1 1 A 35 35 THR N N 35 111.884 112.407 -0.523 1
1 427 . 18 1 1 A 36 36 VAL H H 36 7.560 7.552 0.008 1
1 428 . 18 1 1 A 36 36 VAL HA H 36 3.940 3.909 0.031 1
1 436 . 18 1 1 A 36 36 VAL C C 36 177.003 176.530 0.473 1
1 437 . 18 1 1 A 36 36 VAL CA C 36 64.440 63.381 1.059 1
1 438 . 18 1 1 A 36 36 VAL CB C 36 31.926 31.138 0.788 1
1 441 . 18 1 1 A 36 36 VAL N N 36 120.063 123.115 -3.052 1
1 442 . 18 1 1 A 37 37 GLY H H 37 8.427 8.591 -0.164 1
1 443 . 18 1 1 A 37 37 GLY HA2 H 37 4.143 3.933 0.210 1
1 444 . 18 1 1 A 37 37 GLY HA3 H 37 4.077 3.948 0.129 1
1 445 . 18 1 1 A 37 37 GLY C C 37 176.084 176.360 -0.276 1
1 446 . 18 1 1 A 37 37 GLY CA C 37 45.593 45.496 0.097 1
1 447 . 18 1 1 A 37 37 GLY N N 37 110.570 115.612 -5.042 1
1 448 . 18 1 1 A 38 38 LEU H H 38 8.157 8.089 0.068 1
1 449 . 18 1 1 A 38 38 LEU HA H 38 4.094 4.162 -0.068 1
1 458 . 18 1 1 A 38 38 LEU C C 38 177.948 179.330 -1.382 1
1 459 . 18 1 1 A 38 38 LEU CA C 38 56.472 56.832 -0.360 1
1 460 . 18 1 1 A 38 38 LEU CB C 38 42.644 41.571 1.073 1
1 464 . 18 1 1 A 38 38 LEU N N 38 121.095 122.446 -1.351 1
1 465 . 18 1 1 A 39 39 SER H H 39 8.417 8.182 0.235 1
1 466 . 18 1 1 A 39 39 SER HA H 39 3.921 4.134 -0.213 1
1 469 . 18 1 1 A 39 39 SER C C 39 176.742 176.933 -0.191 1
1 470 . 18 1 1 A 39 39 SER CA C 39 62.250 61.309 0.941 1
1 471 . 18 1 1 A 39 39 SER CB C 39 62.228 62.328 -0.100 1
1 472 . 18 1 1 A 39 39 SER N N 39 113.122 113.438 -0.316 1
1 473 . 18 1 1 A 40 40 GLY H H 40 8.169 7.937 0.232 1
1 474 . 18 1 1 A 40 40 GLY HA2 H 40 4.108 3.957 0.151 1
1 475 . 18 1 1 A 40 40 GLY HA3 H 40 3.990 3.959 0.031 1
1 476 . 18 1 1 A 40 40 GLY C C 40 175.225 175.123 0.102 1
1 477 . 18 1 1 A 40 40 GLY CA C 40 46.354 46.509 -0.155 1
1 478 . 18 1 1 A 40 40 GLY N N 40 107.856 109.857 -2.001 1
1 479 . 18 1 1 A 41 41 VAL H H 41 7.321 7.614 -0.293 1
1 480 . 18 1 1 A 41 41 VAL HA H 41 4.482 4.139 0.343 1
1 488 . 18 1 1 A 41 41 VAL C C 41 176.112 177.363 -1.251 1
1 489 . 18 1 1 A 41 41 VAL CA C 41 61.490 63.796 -2.306 1
1 490 . 18 1 1 A 41 41 VAL CB C 41 33.211 32.837 0.374 1
1 493 . 18 1 1 A 41 41 VAL N N 41 114.922 120.947 -6.025 1
1 494 . 18 1 1 A 42 42 PHE H H 42 7.832 8.248 -0.416 1
1 495 . 18 1 1 A 42 42 PHE HA H 42 3.890 3.941 -0.051 1
1 501 . 18 1 1 A 42 42 PHE C C 42 176.656 177.337 -0.681 1
1 502 . 18 1 1 A 42 42 PHE CA C 42 62.384 61.786 0.598 1
1 503 . 18 1 1 A 42 42 PHE CB C 42 39.677 39.083 0.594 1
1 507 . 18 1 1 A 42 42 PHE N N 42 122.726 123.012 -0.286 1
1 508 . 18 1 1 A 43 43 THR H H 43 8.606 7.661 0.945 1
1 509 . 18 1 1 A 43 43 THR HA H 43 3.771 3.873 -0.102 1
1 514 . 18 1 1 A 43 43 THR C C 43 176.755 176.373 0.382 1
1 515 . 18 1 1 A 43 43 THR CA C 43 66.787 66.691 0.096 1
1 516 . 18 1 1 A 43 43 THR CB C 43 68.302 68.651 -0.349 1
1 518 . 18 1 1 A 43 43 THR N N 43 113.613 114.130 -0.517 1
1 519 . 18 1 1 A 44 44 ALA H H 44 7.860 7.977 -0.117 1
1 520 . 18 1 1 A 44 44 ALA HA H 44 4.203 4.051 0.152 1
1 524 . 18 1 1 A 44 44 ALA C C 44 181.044 180.017 1.027 1
1 525 . 18 1 1 A 44 44 ALA CA C 44 54.896 55.179 -0.283 1
1 526 . 18 1 1 A 44 44 ALA CB C 44 17.985 17.977 0.008 1
1 527 . 18 1 1 A 44 44 ALA N N 44 125.406 123.733 1.673 1
1 528 . 18 1 1 A 45 45 VAL H H 45 8.391 7.708 0.683 1
1 529 . 18 1 1 A 45 45 VAL HA H 45 3.565 3.341 0.224 1
1 537 . 18 1 1 A 45 45 VAL C C 45 177.079 177.435 -0.356 1
1 538 . 18 1 1 A 45 45 VAL CA C 45 66.523 66.768 -0.245 1
1 539 . 18 1 1 A 45 45 VAL CB C 45 31.323 31.395 -0.072 1
1 542 . 18 1 1 A 45 45 VAL N N 45 120.467 118.732 1.735 1
1 543 . 18 1 1 A 46 46 LYS H H 46 8.270 8.316 -0.046 1
1 544 . 18 1 1 A 46 46 LYS HA H 46 3.699 3.743 -0.044 1
1 550 . 18 1 1 A 46 46 LYS C C 46 179.171 178.622 0.549 1
1 551 . 18 1 1 A 46 46 LYS CA C 46 60.606 58.922 1.684 1
1 552 . 18 1 1 A 46 46 LYS CB C 46 32.057 32.404 -0.347 1
1 556 . 18 1 1 A 46 46 LYS N N 46 120.461 120.002 0.459 1
1 557 . 18 1 1 A 47 47 ALA H H 47 7.854 7.843 0.011 1
1 558 . 18 1 1 A 47 47 ALA HA H 47 4.192 4.015 0.177 1
1 562 . 18 1 1 A 47 47 ALA C C 47 179.565 180.144 -0.579 1
1 563 . 18 1 1 A 47 47 ALA CA C 47 54.782 54.833 -0.051 1
1 564 . 18 1 1 A 47 47 ALA CB C 47 18.004 18.283 -0.279 1
1 565 . 18 1 1 A 47 47 ALA N N 47 120.799 120.814 -0.015 1
1 566 . 18 1 1 A 48 48 ALA H H 48 7.931 7.568 0.363 1
1 567 . 18 1 1 A 48 48 ALA HA H 48 4.232 4.098 0.134 1
1 571 . 18 1 1 A 48 48 ALA C C 48 180.197 179.765 0.432 1
1 572 . 18 1 1 A 48 48 ALA CA C 48 55.028 54.980 0.048 1
1 573 . 18 1 1 A 48 48 ALA CB C 48 17.968 18.507 -0.539 1
1 574 . 18 1 1 A 48 48 ALA N N 48 120.585 120.212 0.373 1
1 575 . 18 1 1 A 49 49 ILE H H 49 8.270 7.782 0.488 1
1 576 . 18 1 1 A 49 49 ILE HA H 49 3.190 3.473 -0.283 1
1 586 . 18 1 1 A 49 49 ILE C C 49 177.762 177.956 -0.194 1
1 587 . 18 1 1 A 49 49 ILE CA C 49 66.396 65.491 0.905 1
1 588 . 18 1 1 A 49 49 ILE CB C 49 38.698 37.632 1.066 1
1 592 . 18 1 1 A 49 49 ILE N N 49 118.535 119.983 -1.448 1
1 593 . 18 1 1 A 50 50 ALA H H 50 7.198 8.310 -1.112 1
1 594 . 18 1 1 A 50 50 ALA HA H 50 4.154 4.033 0.121 1
1 598 . 18 1 1 A 50 50 ALA C C 50 179.323 179.371 -0.048 1
1 599 . 18 1 1 A 50 50 ALA CA C 50 54.684 54.747 -0.063 1
1 600 . 18 1 1 A 50 50 ALA CB C 50 18.877 18.095 0.782 1
1 601 . 18 1 1 A 50 50 ALA N N 50 118.853 121.625 -2.772 1
1 602 . 18 1 1 A 51 51 LYS H H 51 8.047 7.503 0.544 1
1 603 . 18 1 1 A 51 51 LYS HA H 51 4.372 4.154 0.218 1
1 609 . 18 1 1 A 51 51 LYS C C 51 177.694 177.072 0.622 1
1 610 . 18 1 1 A 51 51 LYS CA C 51 57.678 58.851 -1.173 1
1 611 . 18 1 1 A 51 51 LYS CB C 51 34.279 32.971 1.308 1
1 615 . 18 1 1 A 51 51 LYS N N 51 114.606 117.005 -2.399 1
1 616 . 18 1 1 A 52 52 GLN H H 52 8.707 8.254 0.453 1
1 617 . 18 1 1 A 52 52 GLN HA H 52 4.592 4.470 0.122 1
1 624 . 18 1 1 A 52 52 GLN C C 52 176.792 175.930 0.862 1
1 625 . 18 1 1 A 52 52 GLN CA C 52 56.454 56.646 -0.192 1
1 626 . 18 1 1 A 52 52 GLN CB C 52 31.792 31.445 0.347 1
1 629 . 18 1 1 A 52 52 GLN N N 52 115.942 116.388 -0.446 1
1 631 . 18 1 1 A 53 53 GLY H H 53 8.045 7.325 0.720 1
1 632 . 18 1 1 A 53 53 GLY HA2 H 53 4.568 4.084 0.484 1
1 633 . 18 1 1 A 53 53 GLY HA3 H 53 4.066 4.087 -0.021 1
1 634 . 18 1 1 A 53 53 GLY C C 53 173.741 174.612 -0.871 1
1 635 . 18 1 1 A 53 53 GLY CA C 53 44.553 45.836 -1.283 1
1 636 . 18 1 1 A 53 53 GLY N N 53 110.313 103.293 7.020 1
1 637 . 18 1 1 A 54 54 ILE H H 54 8.281 8.988 -0.707 1
1 638 . 18 1 1 A 54 54 ILE HA H 54 3.583 3.741 -0.158 1
1 648 . 18 1 1 A 54 54 ILE C C 54 177.313 177.738 -0.425 1
1 649 . 18 1 1 A 54 54 ILE CA C 54 65.253 64.350 0.903 1
1 650 . 18 1 1 A 54 54 ILE CB C 54 38.489 37.477 1.012 1
1 654 . 18 1 1 A 54 54 ILE N N 54 117.579 122.030 -4.451 1
1 655 . 18 1 1 A 55 55 LYS H H 55 8.334 8.246 0.088 1
1 656 . 18 1 1 A 55 55 LYS HA H 55 3.955 4.066 -0.111 1
1 663 . 18 1 1 A 55 55 LYS C C 55 180.026 178.600 1.426 1
1 664 . 18 1 1 A 55 55 LYS CA C 55 60.343 59.202 1.141 1
1 665 . 18 1 1 A 55 55 LYS CB C 55 31.693 32.317 -0.624 1
1 669 . 18 1 1 A 55 55 LYS N N 55 119.039 120.257 -1.218 1
1 670 . 18 1 1 A 56 56 LYS H H 56 7.987 7.708 0.279 1
1 671 . 18 1 1 A 56 56 LYS HA H 56 4.130 4.030 0.100 1
1 677 . 18 1 1 A 56 56 LYS C C 56 178.612 179.309 -0.697 1
1 678 . 18 1 1 A 56 56 LYS CA C 56 57.715 59.277 -1.562 1
1 679 . 18 1 1 A 56 56 LYS CB C 56 31.714 32.159 -0.445 1
1 683 . 18 1 1 A 56 56 LYS N N 56 119.113 119.882 -0.769 1
1 684 . 18 1 1 A 57 57 ALA H H 57 7.735 7.870 -0.135 1
1 685 . 18 1 1 A 57 57 ALA HA H 57 3.911 3.956 -0.045 1
1 689 . 18 1 1 A 57 57 ALA C C 57 178.713 180.257 -1.544 1
1 690 . 18 1 1 A 57 57 ALA CA C 57 55.568 55.004 0.564 1
1 691 . 18 1 1 A 57 57 ALA CB C 57 19.922 18.213 1.709 1
1 692 . 18 1 1 A 57 57 ALA N N 57 122.357 121.583 0.774 1
1 693 . 18 1 1 A 58 58 ILE H H 58 8.257 7.617 0.640 1
1 694 . 18 1 1 A 58 58 ILE HA H 58 3.452 3.529 -0.077 1
1 704 . 18 1 1 A 58 58 ILE C C 58 177.688 177.959 -0.271 1
1 705 . 18 1 1 A 58 58 ILE CA C 58 66.157 65.587 0.570 1
1 706 . 18 1 1 A 58 58 ILE CB C 58 38.306 37.837 0.469 1
1 710 . 18 1 1 A 58 58 ILE N N 58 117.279 119.000 -1.721 1
1 711 . 18 1 1 A 59 59 GLN H H 59 7.752 8.134 -0.382 1
1 712 . 18 1 1 A 59 59 GLN HA H 59 3.916 4.173 -0.257 1
1 719 . 18 1 1 A 59 59 GLN C C 59 178.976 178.765 0.211 1
1 720 . 18 1 1 A 59 59 GLN CA C 59 59.112 58.728 0.384 1
1 721 . 18 1 1 A 59 59 GLN CB C 59 28.189 28.268 -0.079 1
1 724 . 18 1 1 A 59 59 GLN N N 59 117.533 118.151 -0.618 1
1 18 . 19 1 1 A 2 2 VAL H H 2 8.475 7.991 0.484 1
1 19 . 19 1 1 A 2 2 VAL HA H 2 4.528 3.911 0.617 1
1 27 . 19 1 1 A 2 2 VAL C C 2 181.462 178.045 3.417 1
1 28 . 19 1 1 A 2 2 VAL CA C 2 65.162 66.567 -1.405 1
1 29 . 19 1 1 A 2 2 VAL CB C 2 31.895 31.605 0.290 1
1 32 . 19 1 1 A 2 2 VAL N N 2 121.849 117.120 4.729 1
1 33 . 19 1 1 A 3 3 ALA H H 3 8.256 8.478 -0.222 1
1 34 . 19 1 1 A 3 3 ALA HA H 3 4.173 4.106 0.067 1
1 38 . 19 1 1 A 3 3 ALA C C 3 179.402 179.535 -0.133 1
1 39 . 19 1 1 A 3 3 ALA CA C 3 54.725 54.922 -0.197 1
1 40 . 19 1 1 A 3 3 ALA CB C 3 17.784 18.113 -0.329 1
1 41 . 19 1 1 A 3 3 ALA N N 3 124.615 121.601 3.014 1
1 42 . 19 1 1 A 4 4 TYR H H 4 7.717 8.139 -0.422 1
1 43 . 19 1 1 A 4 4 TYR HA H 4 4.465 4.290 0.175 1
1 48 . 19 1 1 A 4 4 TYR C C 4 177.710 176.114 1.596 1
1 49 . 19 1 1 A 4 4 TYR CA C 4 58.648 60.833 -2.185 1
1 50 . 19 1 1 A 4 4 TYR CB C 4 38.838 38.913 -0.075 1
1 53 . 19 1 1 A 4 4 TYR N N 4 117.777 116.510 1.267 1
1 54 . 19 1 1 A 5 5 GLY H H 5 7.942 7.969 -0.027 1
1 55 . 19 1 1 A 5 5 GLY HA2 H 5 4.373 4.104 0.269 1
1 56 . 19 1 1 A 5 5 GLY HA3 H 5 3.699 4.119 -0.420 1
1 57 . 19 1 1 A 5 5 GLY C C 5 174.273 174.845 -0.572 1
1 58 . 19 1 1 A 5 5 GLY CA C 5 45.019 45.496 -0.477 1
1 59 . 19 1 1 A 5 5 GLY N N 5 105.556 106.308 -0.752 1
1 60 . 19 1 1 A 6 6 ILE H H 6 7.844 7.654 0.190 1
1 61 . 19 1 1 A 6 6 ILE HA H 6 4.135 4.089 0.046 1
1 71 . 19 1 1 A 6 6 ILE C C 6 174.476 176.430 -1.954 1
1 72 . 19 1 1 A 6 6 ILE CA C 6 59.997 61.412 -1.415 1
1 73 . 19 1 1 A 6 6 ILE CB C 6 37.498 37.972 -0.474 1
1 77 . 19 1 1 A 6 6 ILE N N 6 123.172 122.185 0.987 1
1 78 . 19 1 1 A 7 7 ALA H H 7 8.361 8.740 -0.379 1
1 79 . 19 1 1 A 7 7 ALA HA H 7 4.205 4.231 -0.026 1
1 83 . 19 1 1 A 7 7 ALA C C 7 178.710 178.810 -0.100 1
1 84 . 19 1 1 A 7 7 ALA CA C 7 52.736 52.695 0.041 1
1 85 . 19 1 1 A 7 7 ALA CB C 7 19.343 19.298 0.045 1
1 86 . 19 1 1 A 7 7 ALA N N 7 128.201 129.709 -1.508 1
1 87 . 19 1 1 A 8 8 GLN H H 8 8.929 8.781 0.148 1
1 88 . 19 1 1 A 8 8 GLN HA H 8 3.670 4.054 -0.384 1
1 95 . 19 1 1 A 8 8 GLN C C 8 177.362 178.261 -0.899 1
1 96 . 19 1 1 A 8 8 GLN CA C 8 60.337 58.145 2.192 1
1 97 . 19 1 1 A 8 8 GLN CB C 8 28.290 28.226 0.064 1
1 100 . 19 1 1 A 8 8 GLN N N 8 121.784 122.044 -0.260 1
1 102 . 19 1 1 A 9 9 GLY H H 9 9.034 8.339 0.695 1
1 103 . 19 1 1 A 9 9 GLY HA2 H 9 3.891 3.726 0.165 1
1 104 . 19 1 1 A 9 9 GLY C C 9 177.273 176.219 1.054 1
1 105 . 19 1 1 A 9 9 GLY CA C 9 47.126 47.449 -0.323 1
1 106 . 19 1 1 A 9 9 GLY N N 9 105.262 109.309 -4.047 1
1 107 . 19 1 1 A 10 10 THR H H 10 7.254 8.176 -0.922 1
1 108 . 19 1 1 A 10 10 THR HA H 10 4.010 4.071 -0.061 1
1 113 . 19 1 1 A 10 10 THR C C 10 175.476 175.866 -0.390 1
1 114 . 19 1 1 A 10 10 THR CA C 10 65.939 65.202 0.737 1
1 115 . 19 1 1 A 10 10 THR CB C 10 68.252 68.812 -0.560 1
1 117 . 19 1 1 A 10 10 THR N N 10 118.993 116.715 2.278 1
1 118 . 19 1 1 A 11 11 ALA H H 11 9.152 8.453 0.699 1
1 119 . 19 1 1 A 11 11 ALA HA H 11 3.759 3.987 -0.228 1
1 123 . 19 1 1 A 11 11 ALA C C 11 178.878 180.031 -1.153 1
1 124 . 19 1 1 A 11 11 ALA CA C 11 55.756 55.717 0.039 1
1 125 . 19 1 1 A 11 11 ALA CB C 11 19.820 18.272 1.548 1
1 126 . 19 1 1 A 11 11 ALA N N 11 126.026 123.215 2.811 1
1 127 . 19 1 1 A 12 12 GLU H H 12 8.442 7.991 0.451 1
1 128 . 19 1 1 A 12 12 GLU HA H 12 3.748 3.967 -0.219 1
1 133 . 19 1 1 A 12 12 GLU C C 12 179.309 179.087 0.222 1
1 134 . 19 1 1 A 12 12 GLU CA C 12 59.899 59.603 0.296 1
1 135 . 19 1 1 A 12 12 GLU CB C 12 29.713 29.094 0.619 1
1 137 . 19 1 1 A 12 12 GLU N N 12 115.831 117.751 -1.920 1
1 138 . 19 1 1 A 13 13 LYS H H 13 7.253 7.798 -0.545 1
1 139 . 19 1 1 A 13 13 LYS HA H 13 4.147 4.179 -0.032 1
1 145 . 19 1 1 A 13 13 LYS C C 13 178.842 178.825 0.017 1
1 146 . 19 1 1 A 13 13 LYS CA C 13 59.198 58.882 0.316 1
1 147 . 19 1 1 A 13 13 LYS CB C 13 32.678 32.476 0.202 1
1 150 . 19 1 1 A 13 13 LYS N N 13 119.708 121.386 -1.678 1
1 151 . 19 1 1 A 14 14 VAL H H 14 8.649 8.350 0.299 1
1 152 . 19 1 1 A 14 14 VAL HA H 14 3.368 3.769 -0.401 1
1 160 . 19 1 1 A 14 14 VAL C C 14 177.806 178.486 -0.680 1
1 161 . 19 1 1 A 14 14 VAL CA C 14 67.448 65.829 1.619 1
1 162 . 19 1 1 A 14 14 VAL CB C 14 31.423 31.905 -0.482 1
1 165 . 19 1 1 A 14 14 VAL N N 14 119.012 120.041 -1.029 1
1 166 . 19 1 1 A 15 15 VAL H H 15 8.172 8.227 -0.055 1
1 167 . 19 1 1 A 15 15 VAL HA H 15 3.418 3.625 -0.207 1
1 175 . 19 1 1 A 15 15 VAL C C 15 177.325 177.971 -0.646 1
1 176 . 19 1 1 A 15 15 VAL CA C 15 67.632 66.379 1.253 1
1 177 . 19 1 1 A 15 15 VAL CB C 15 31.168 31.597 -0.429 1
1 180 . 19 1 1 A 15 15 VAL N N 15 117.226 120.878 -3.652 1
1 181 . 19 1 1 A 16 16 SER H H 16 7.804 8.081 -0.277 1
1 182 . 19 1 1 A 16 16 SER HA H 16 4.232 4.148 0.084 1
1 185 . 19 1 1 A 16 16 SER C C 16 177.563 177.454 0.109 1
1 186 . 19 1 1 A 16 16 SER CA C 16 61.988 61.562 0.426 1
1 187 . 19 1 1 A 16 16 SER CB C 16 62.781 62.958 -0.177 1
1 188 . 19 1 1 A 16 16 SER N N 16 115.358 116.186 -0.828 1
1 189 . 19 1 1 A 17 17 LEU H H 17 8.089 8.130 -0.041 1
1 190 . 19 1 1 A 17 17 LEU HA H 17 4.234 4.139 0.095 1
1 200 . 19 1 1 A 17 17 LEU C C 17 179.382 179.088 0.294 1
1 201 . 19 1 1 A 17 17 LEU CA C 17 57.908 57.765 0.143 1
1 202 . 19 1 1 A 17 17 LEU CB C 17 41.459 41.469 -0.010 1
1 206 . 19 1 1 A 17 17 LEU N N 17 121.995 121.807 0.188 1
1 207 . 19 1 1 A 18 18 ILE H H 18 8.690 7.926 0.764 1
1 208 . 19 1 1 A 18 18 ILE HA H 18 3.799 3.544 0.255 1
1 218 . 19 1 1 A 18 18 ILE C C 18 181.545 177.818 3.727 1
1 219 . 19 1 1 A 18 18 ILE CA C 18 65.849 65.714 0.135 1
1 220 . 19 1 1 A 18 18 ILE CB C 18 37.844 37.948 -0.104 1
1 224 . 19 1 1 A 18 18 ILE N N 18 121.273 120.158 1.115 1
1 225 . 19 1 1 A 19 19 ASN H H 19 8.663 8.737 -0.074 1
1 226 . 19 1 1 A 19 19 ASN HA H 19 4.548 4.480 0.068 1
1 231 . 19 1 1 A 19 19 ASN C C 19 176.165 177.312 -1.147 1
1 232 . 19 1 1 A 19 19 ASN CA C 19 55.365 56.412 -1.047 1
1 233 . 19 1 1 A 19 19 ASN CB C 19 38.196 39.542 -1.346 1
1 235 . 19 1 1 A 19 19 ASN N N 19 120.662 118.879 1.783 1
1 237 . 19 1 1 A 20 20 ALA H H 20 7.564 7.113 0.451 1
1 238 . 19 1 1 A 20 20 ALA HA H 20 4.411 4.248 0.163 1
1 242 . 19 1 1 A 20 20 ALA C C 20 175.860 177.888 -2.028 1
1 243 . 19 1 1 A 20 20 ALA CA C 20 52.478 52.380 0.098 1
1 244 . 19 1 1 A 20 20 ALA CB C 20 18.668 19.627 -0.959 1
1 245 . 19 1 1 A 20 20 ALA N N 20 120.105 118.765 1.340 1
1 246 . 19 1 1 A 21 21 GLY H H 21 7.959 8.244 -0.285 1
1 247 . 19 1 1 A 21 21 GLY HA2 H 21 4.310 3.971 0.339 1
1 248 . 19 1 1 A 21 21 GLY HA3 H 21 3.804 3.979 -0.175 1
1 249 . 19 1 1 A 21 21 GLY C C 21 175.014 174.456 0.558 1
1 250 . 19 1 1 A 21 21 GLY CA C 21 45.286 45.450 -0.164 1
1 251 . 19 1 1 A 21 21 GLY N N 21 105.589 106.821 -1.232 1
1 252 . 19 1 1 A 22 22 LEU H H 22 7.529 7.545 -0.016 1
1 253 . 19 1 1 A 22 22 LEU HA H 22 4.462 4.337 0.125 1
1 263 . 19 1 1 A 22 22 LEU C C 22 177.271 176.913 0.358 1
1 264 . 19 1 1 A 22 22 LEU CA C 22 56.388 54.633 1.755 1
1 265 . 19 1 1 A 22 22 LEU CB C 22 42.442 42.052 0.390 1
1 269 . 19 1 1 A 22 22 LEU N N 22 121.608 122.393 -0.785 1
1 270 . 19 1 1 A 23 23 THR H H 23 7.976 8.540 -0.564 1
1 271 . 19 1 1 A 23 23 THR HA H 23 4.335 4.742 -0.407 1
1 276 . 19 1 1 A 23 23 THR C C 23 175.978 175.607 0.371 1
1 277 . 19 1 1 A 23 23 THR CA C 23 60.185 60.680 -0.495 1
1 278 . 19 1 1 A 23 23 THR CB C 23 71.142 71.126 0.016 1
1 280 . 19 1 1 A 23 23 THR N N 23 108.756 115.214 -6.458 1
1 281 . 19 1 1 A 24 24 VAL H H 24 8.201 8.713 -0.512 1
1 282 . 19 1 1 A 24 24 VAL HA H 24 3.337 3.607 -0.270 1
1 290 . 19 1 1 A 24 24 VAL C C 24 176.772 177.850 -1.078 1
1 291 . 19 1 1 A 24 24 VAL CA C 24 66.172 65.886 0.286 1
1 292 . 19 1 1 A 24 24 VAL CB C 24 30.752 31.466 -0.714 1
1 295 . 19 1 1 A 24 24 VAL N N 24 119.897 122.310 -2.413 1
1 296 . 19 1 1 A 25 25 GLY H H 25 8.328 8.270 0.058 1
1 297 . 19 1 1 A 25 25 GLY HA2 H 25 3.830 3.727 0.103 1
1 298 . 19 1 1 A 25 25 GLY HA3 H 25 3.722 3.743 -0.021 1
1 299 . 19 1 1 A 25 25 GLY C C 25 177.352 175.938 1.414 1
1 300 . 19 1 1 A 25 25 GLY CA C 25 46.824 47.314 -0.490 1
1 301 . 19 1 1 A 25 25 GLY N N 25 106.836 109.371 -2.535 1
1 302 . 19 1 1 A 26 26 SER H H 26 7.626 7.862 -0.236 1
1 303 . 19 1 1 A 26 26 SER HA H 26 4.286 4.171 0.115 1
1 306 . 19 1 1 A 26 26 SER C C 26 176.160 177.264 -1.104 1
1 307 . 19 1 1 A 26 26 SER CA C 26 61.829 60.916 0.913 1
1 308 . 19 1 1 A 26 26 SER CB C 26 63.022 63.056 -0.034 1
1 309 . 19 1 1 A 26 26 SER N N 26 118.367 116.527 1.840 1
1 310 . 19 1 1 A 27 27 ILE H H 27 8.072 7.354 0.718 1
1 311 . 19 1 1 A 27 27 ILE HA H 27 3.494 3.537 -0.043 1
1 321 . 19 1 1 A 27 27 ILE C C 27 177.364 178.012 -0.648 1
1 322 . 19 1 1 A 27 27 ILE CA C 27 66.333 64.474 1.859 1
1 323 . 19 1 1 A 27 27 ILE CB C 27 38.065 37.460 0.605 1
1 327 . 19 1 1 A 27 27 ILE N N 27 122.663 121.587 1.076 1
1 328 . 19 1 1 A 28 28 ILE H H 28 8.317 8.090 0.227 1
1 329 . 19 1 1 A 28 28 ILE HA H 28 3.790 3.583 0.207 1
1 339 . 19 1 1 A 28 28 ILE C C 28 179.278 178.233 1.045 1
1 340 . 19 1 1 A 28 28 ILE CA C 28 65.107 65.340 -0.233 1
1 341 . 19 1 1 A 28 28 ILE CB C 28 38.185 37.467 0.718 1
1 345 . 19 1 1 A 28 28 ILE N N 28 119.722 120.459 -0.737 1
1 346 . 19 1 1 A 29 29 SER H H 29 7.703 7.446 0.257 1
1 347 . 19 1 1 A 29 29 SER HA H 29 4.185 4.108 0.077 1
1 349 . 19 1 1 A 29 29 SER C C 29 176.198 176.438 -0.240 1
1 350 . 19 1 1 A 29 29 SER CA C 29 61.588 62.434 -0.846 1
1 351 . 19 1 1 A 29 29 SER CB C 29 63.021 62.797 0.224 1
1 352 . 19 1 1 A 29 29 SER N N 29 114.967 115.835 -0.868 1
1 353 . 19 1 1 A 30 30 ILE H H 30 7.798 7.545 0.253 1
1 354 . 19 1 1 A 30 30 ILE HA H 30 3.884 3.790 0.094 1
1 364 . 19 1 1 A 30 30 ILE C C 30 177.721 178.548 -0.827 1
1 365 . 19 1 1 A 30 30 ILE CA C 30 64.231 64.204 0.027 1
1 366 . 19 1 1 A 30 30 ILE CB C 30 39.382 37.133 2.249 1
1 370 . 19 1 1 A 30 30 ILE N N 30 120.517 120.915 -0.398 1
1 371 . 19 1 1 A 31 31 LEU H H 31 8.279 7.842 0.437 1
1 372 . 19 1 1 A 31 31 LEU HA H 31 4.362 3.970 0.392 1
1 382 . 19 1 1 A 31 31 LEU C C 31 178.475 177.416 1.059 1
1 383 . 19 1 1 A 31 31 LEU CA C 31 55.587 57.518 -1.931 1
1 384 . 19 1 1 A 31 31 LEU CB C 31 39.699 42.129 -2.430 1
1 388 . 19 1 1 A 31 31 LEU N N 31 117.941 120.968 -3.027 1
1 389 . 19 1 1 A 32 32 GLY H H 32 8.219 8.140 0.079 1
1 390 . 19 1 1 A 32 32 GLY HA2 H 32 4.123 3.875 0.248 1
1 391 . 19 1 1 A 32 32 GLY HA3 H 32 3.878 3.879 -0.001 1
1 392 . 19 1 1 A 32 32 GLY C C 32 175.512 174.078 1.434 1
1 393 . 19 1 1 A 32 32 GLY CA C 32 45.604 46.888 -1.284 1
1 394 . 19 1 1 A 32 32 GLY N N 32 107.591 107.528 0.063 1
1 395 . 19 1 1 A 33 33 GLY H H 33 8.667 7.702 0.965 1
1 396 . 19 1 1 A 33 33 GLY HA2 H 33 4.062 4.150 -0.088 1
1 397 . 19 1 1 A 33 33 GLY HA3 H 33 3.879 4.150 -0.271 1
1 398 . 19 1 1 A 33 33 GLY C C 33 175.510 172.064 3.446 1
1 399 . 19 1 1 A 33 33 GLY CA C 33 46.603 46.139 0.464 1
1 400 . 19 1 1 A 33 33 GLY N N 33 109.700 105.852 3.848 1
1 401 . 19 1 1 A 34 34 VAL H H 34 8.049 8.491 -0.442 1
1 402 . 19 1 1 A 34 34 VAL HA H 34 4.309 4.150 0.159 1
1 410 . 19 1 1 A 34 34 VAL C C 34 176.726 176.133 0.593 1
1 411 . 19 1 1 A 34 34 VAL CA C 34 62.780 61.692 1.088 1
1 412 . 19 1 1 A 34 34 VAL CB C 34 32.022 29.380 2.642 1
1 415 . 19 1 1 A 34 34 VAL N N 34 117.737 120.495 -2.758 1
1 416 . 19 1 1 A 35 35 THR H H 35 8.141 8.049 0.092 1
1 417 . 19 1 1 A 35 35 THR HA H 35 4.239 4.480 -0.241 1
1 422 . 19 1 1 A 35 35 THR C C 35 174.905 175.494 -0.589 1
1 423 . 19 1 1 A 35 35 THR CA C 35 62.571 63.046 -0.475 1
1 424 . 19 1 1 A 35 35 THR CB C 35 69.247 69.004 0.243 1
1 426 . 19 1 1 A 35 35 THR N N 35 111.884 118.370 -6.486 1
1 427 . 19 1 1 A 36 36 VAL H H 36 7.560 7.516 0.044 1
1 428 . 19 1 1 A 36 36 VAL HA H 36 3.940 4.243 -0.303 1
1 436 . 19 1 1 A 36 36 VAL C C 36 177.003 176.254 0.749 1
1 437 . 19 1 1 A 36 36 VAL CA C 36 64.440 62.239 2.201 1
1 438 . 19 1 1 A 36 36 VAL CB C 36 31.926 29.330 2.596 1
1 441 . 19 1 1 A 36 36 VAL N N 36 120.063 120.788 -0.725 1
1 442 . 19 1 1 A 37 37 GLY H H 37 8.427 7.964 0.463 1
1 443 . 19 1 1 A 37 37 GLY HA2 H 37 4.143 3.983 0.160 1
1 444 . 19 1 1 A 37 37 GLY HA3 H 37 4.077 3.985 0.092 1
1 445 . 19 1 1 A 37 37 GLY C C 37 176.084 175.300 0.784 1
1 446 . 19 1 1 A 37 37 GLY CA C 37 45.593 45.463 0.130 1
1 447 . 19 1 1 A 37 37 GLY N N 37 110.570 111.106 -0.536 1
1 448 . 19 1 1 A 38 38 LEU H H 38 8.157 8.312 -0.155 1
1 449 . 19 1 1 A 38 38 LEU HA H 38 4.094 3.946 0.148 1
1 458 . 19 1 1 A 38 38 LEU C C 38 177.948 178.546 -0.598 1
1 459 . 19 1 1 A 38 38 LEU CA C 38 56.472 58.385 -1.913 1
1 460 . 19 1 1 A 38 38 LEU CB C 38 42.644 41.222 1.422 1
1 464 . 19 1 1 A 38 38 LEU N N 38 121.095 121.400 -0.305 1
1 465 . 19 1 1 A 39 39 SER H H 39 8.417 8.363 0.054 1
1 466 . 19 1 1 A 39 39 SER HA H 39 3.921 4.235 -0.314 1
1 469 . 19 1 1 A 39 39 SER C C 39 176.742 176.755 -0.013 1
1 470 . 19 1 1 A 39 39 SER CA C 39 62.250 60.892 1.358 1
1 471 . 19 1 1 A 39 39 SER CB C 39 62.228 62.750 -0.522 1
1 472 . 19 1 1 A 39 39 SER N N 39 113.122 114.372 -1.250 1
1 473 . 19 1 1 A 40 40 GLY H H 40 8.169 8.081 0.088 1
1 474 . 19 1 1 A 40 40 GLY HA2 H 40 4.108 3.944 0.164 1
1 475 . 19 1 1 A 40 40 GLY HA3 H 40 3.990 3.961 0.029 1
1 476 . 19 1 1 A 40 40 GLY C C 40 175.225 175.594 -0.369 1
1 477 . 19 1 1 A 40 40 GLY CA C 40 46.354 46.919 -0.565 1
1 478 . 19 1 1 A 40 40 GLY N N 40 107.856 110.727 -2.871 1
1 479 . 19 1 1 A 41 41 VAL H H 41 7.321 7.702 -0.381 1
1 480 . 19 1 1 A 41 41 VAL HA H 41 4.482 3.807 0.675 1
1 488 . 19 1 1 A 41 41 VAL C C 41 176.112 177.559 -1.447 1
1 489 . 19 1 1 A 41 41 VAL CA C 41 61.490 64.352 -2.862 1
1 490 . 19 1 1 A 41 41 VAL CB C 41 33.211 31.541 1.670 1
1 493 . 19 1 1 A 41 41 VAL N N 41 114.922 118.549 -3.627 1
1 494 . 19 1 1 A 42 42 PHE H H 42 7.832 8.019 -0.187 1
1 495 . 19 1 1 A 42 42 PHE HA H 42 3.890 4.036 -0.146 1
1 501 . 19 1 1 A 42 42 PHE C C 42 176.656 177.402 -0.746 1
1 502 . 19 1 1 A 42 42 PHE CA C 42 62.384 61.715 0.669 1
1 503 . 19 1 1 A 42 42 PHE CB C 42 39.677 39.137 0.540 1
1 507 . 19 1 1 A 42 42 PHE N N 42 122.726 123.952 -1.226 1
1 508 . 19 1 1 A 43 43 THR H H 43 8.606 7.837 0.769 1
1 509 . 19 1 1 A 43 43 THR HA H 43 3.771 3.948 -0.177 1
1 514 . 19 1 1 A 43 43 THR C C 43 176.755 176.870 -0.115 1
1 515 . 19 1 1 A 43 43 THR CA C 43 66.787 66.743 0.044 1
1 516 . 19 1 1 A 43 43 THR CB C 43 68.302 68.673 -0.371 1
1 518 . 19 1 1 A 43 43 THR N N 43 113.613 114.102 -0.489 1
1 519 . 19 1 1 A 44 44 ALA H H 44 7.860 7.784 0.076 1
1 520 . 19 1 1 A 44 44 ALA HA H 44 4.203 4.118 0.085 1
1 524 . 19 1 1 A 44 44 ALA C C 44 181.044 180.386 0.658 1
1 525 . 19 1 1 A 44 44 ALA CA C 44 54.896 55.005 -0.109 1
1 526 . 19 1 1 A 44 44 ALA CB C 44 17.985 18.335 -0.350 1
1 527 . 19 1 1 A 44 44 ALA N N 44 125.406 123.955 1.451 1
1 528 . 19 1 1 A 45 45 VAL H H 45 8.391 7.740 0.651 1
1 529 . 19 1 1 A 45 45 VAL HA H 45 3.565 3.531 0.034 1
1 537 . 19 1 1 A 45 45 VAL C C 45 177.079 177.777 -0.698 1
1 538 . 19 1 1 A 45 45 VAL CA C 45 66.523 66.324 0.199 1
1 539 . 19 1 1 A 45 45 VAL CB C 45 31.323 31.587 -0.264 1
1 542 . 19 1 1 A 45 45 VAL N N 45 120.467 117.889 2.578 1
1 543 . 19 1 1 A 46 46 LYS H H 46 8.270 8.429 -0.159 1
1 544 . 19 1 1 A 46 46 LYS HA H 46 3.699 3.975 -0.276 1
1 550 . 19 1 1 A 46 46 LYS C C 46 179.171 178.602 0.569 1
1 551 . 19 1 1 A 46 46 LYS CA C 46 60.606 58.853 1.753 1
1 552 . 19 1 1 A 46 46 LYS CB C 46 32.057 32.300 -0.243 1
1 556 . 19 1 1 A 46 46 LYS N N 46 120.461 120.095 0.366 1
1 557 . 19 1 1 A 47 47 ALA H H 47 7.854 7.811 0.043 1
1 558 . 19 1 1 A 47 47 ALA HA H 47 4.192 4.136 0.056 1
1 562 . 19 1 1 A 47 47 ALA C C 47 179.565 179.714 -0.149 1
1 563 . 19 1 1 A 47 47 ALA CA C 47 54.782 54.973 -0.191 1
1 564 . 19 1 1 A 47 47 ALA CB C 47 18.004 18.009 -0.005 1
1 565 . 19 1 1 A 47 47 ALA N N 47 120.799 121.846 -1.047 1
1 566 . 19 1 1 A 48 48 ALA H H 48 7.931 7.688 0.243 1
1 567 . 19 1 1 A 48 48 ALA HA H 48 4.232 4.106 0.126 1
1 571 . 19 1 1 A 48 48 ALA C C 48 180.197 179.776 0.421 1
1 572 . 19 1 1 A 48 48 ALA CA C 48 55.028 54.967 0.061 1
1 573 . 19 1 1 A 48 48 ALA CB C 48 17.968 18.477 -0.509 1
1 574 . 19 1 1 A 48 48 ALA N N 48 120.585 120.517 0.068 1
1 575 . 19 1 1 A 49 49 ILE H H 49 8.270 7.334 0.936 1
1 576 . 19 1 1 A 49 49 ILE HA H 49 3.190 3.495 -0.305 1
1 586 . 19 1 1 A 49 49 ILE C C 49 177.762 177.969 -0.207 1
1 587 . 19 1 1 A 49 49 ILE CA C 49 66.396 65.444 0.952 1
1 588 . 19 1 1 A 49 49 ILE CB C 49 38.698 37.653 1.045 1
1 592 . 19 1 1 A 49 49 ILE N N 49 118.535 119.768 -1.233 1
1 593 . 19 1 1 A 50 50 ALA H H 50 7.198 8.384 -1.186 1
1 594 . 19 1 1 A 50 50 ALA HA H 50 4.154 4.019 0.135 1
1 598 . 19 1 1 A 50 50 ALA C C 50 179.323 180.248 -0.925 1
1 599 . 19 1 1 A 50 50 ALA CA C 50 54.684 54.731 -0.047 1
1 600 . 19 1 1 A 50 50 ALA CB C 50 18.877 18.186 0.691 1
1 601 . 19 1 1 A 50 50 ALA N N 50 118.853 121.561 -2.708 1
1 602 . 19 1 1 A 51 51 LYS H H 51 8.047 7.294 0.753 1
1 603 . 19 1 1 A 51 51 LYS HA H 51 4.372 4.105 0.267 1
1 609 . 19 1 1 A 51 51 LYS C C 51 177.694 178.405 -0.711 1
1 610 . 19 1 1 A 51 51 LYS CA C 51 57.678 59.322 -1.644 1
1 611 . 19 1 1 A 51 51 LYS CB C 51 34.279 32.790 1.489 1
1 615 . 19 1 1 A 51 51 LYS N N 51 114.606 117.716 -3.110 1
1 616 . 19 1 1 A 52 52 GLN H H 52 8.707 8.562 0.145 1
1 617 . 19 1 1 A 52 52 GLN HA H 52 4.592 4.368 0.224 1
1 624 . 19 1 1 A 52 52 GLN C C 52 176.792 175.964 0.828 1
1 625 . 19 1 1 A 52 52 GLN CA C 52 56.454 57.076 -0.622 1
1 626 . 19 1 1 A 52 52 GLN CB C 52 31.792 29.999 1.793 1
1 629 . 19 1 1 A 52 52 GLN N N 52 115.942 115.622 0.320 1
1 631 . 19 1 1 A 53 53 GLY H H 53 8.045 7.316 0.729 1
1 632 . 19 1 1 A 53 53 GLY HA2 H 53 4.568 4.036 0.532 1
1 633 . 19 1 1 A 53 53 GLY HA3 H 53 4.066 4.037 0.029 1
1 634 . 19 1 1 A 53 53 GLY C C 53 173.741 174.637 -0.896 1
1 635 . 19 1 1 A 53 53 GLY CA C 53 44.553 45.834 -1.281 1
1 636 . 19 1 1 A 53 53 GLY N N 53 110.313 103.291 7.022 1
1 637 . 19 1 1 A 54 54 ILE H H 54 8.281 8.676 -0.395 1
1 638 . 19 1 1 A 54 54 ILE HA H 54 3.583 3.791 -0.208 1
1 648 . 19 1 1 A 54 54 ILE C C 54 177.313 177.962 -0.649 1
1 649 . 19 1 1 A 54 54 ILE CA C 54 65.253 64.347 0.906 1
1 650 . 19 1 1 A 54 54 ILE CB C 54 38.489 37.714 0.775 1
1 654 . 19 1 1 A 54 54 ILE N N 54 117.579 119.506 -1.927 1
1 655 . 19 1 1 A 55 55 LYS H H 55 8.334 8.270 0.064 1
1 656 . 19 1 1 A 55 55 LYS HA H 55 3.955 4.044 -0.089 1
1 663 . 19 1 1 A 55 55 LYS C C 55 180.026 178.652 1.374 1
1 664 . 19 1 1 A 55 55 LYS CA C 55 60.343 59.148 1.195 1
1 665 . 19 1 1 A 55 55 LYS CB C 55 31.693 32.285 -0.592 1
1 669 . 19 1 1 A 55 55 LYS N N 55 119.039 123.206 -4.167 1
1 670 . 19 1 1 A 56 56 LYS H H 56 7.987 8.005 -0.018 1
1 671 . 19 1 1 A 56 56 LYS HA H 56 4.130 4.042 0.088 1
1 677 . 19 1 1 A 56 56 LYS C C 56 178.612 179.394 -0.782 1
1 678 . 19 1 1 A 56 56 LYS CA C 56 57.715 59.139 -1.424 1
1 679 . 19 1 1 A 56 56 LYS CB C 56 31.714 32.045 -0.331 1
1 683 . 19 1 1 A 56 56 LYS N N 56 119.113 119.940 -0.827 1
1 684 . 19 1 1 A 57 57 ALA H H 57 7.735 7.799 -0.064 1
1 685 . 19 1 1 A 57 57 ALA HA H 57 3.911 4.009 -0.098 1
1 689 . 19 1 1 A 57 57 ALA C C 57 178.713 180.253 -1.540 1
1 690 . 19 1 1 A 57 57 ALA CA C 57 55.568 55.079 0.489 1
1 691 . 19 1 1 A 57 57 ALA CB C 57 19.922 18.320 1.602 1
1 692 . 19 1 1 A 57 57 ALA N N 57 122.357 121.477 0.880 1
1 693 . 19 1 1 A 58 58 ILE H H 58 8.257 7.521 0.736 1
1 694 . 19 1 1 A 58 58 ILE HA H 58 3.452 3.612 -0.160 1
1 704 . 19 1 1 A 58 58 ILE C C 58 177.688 178.042 -0.354 1
1 705 . 19 1 1 A 58 58 ILE CA C 58 66.157 65.361 0.796 1
1 706 . 19 1 1 A 58 58 ILE CB C 58 38.306 37.874 0.432 1
1 710 . 19 1 1 A 58 58 ILE N N 58 117.279 119.038 -1.759 1
1 711 . 19 1 1 A 59 59 GLN H H 59 7.752 8.357 -0.605 1
1 712 . 19 1 1 A 59 59 GLN HA H 59 3.916 4.044 -0.128 1
1 719 . 19 1 1 A 59 59 GLN C C 59 178.976 177.608 1.368 1
1 720 . 19 1 1 A 59 59 GLN CA C 59 59.112 58.108 1.004 1
1 721 . 19 1 1 A 59 59 GLN CB C 59 28.189 27.450 0.739 1
1 724 . 19 1 1 A 59 59 GLN N N 59 117.533 120.067 -2.534 1
1 18 . 20 1 1 A 2 2 VAL H H 2 8.475 8.066 0.409 1
1 19 . 20 1 1 A 2 2 VAL HA H 2 4.528 3.929 0.599 1
1 27 . 20 1 1 A 2 2 VAL C C 2 181.462 178.077 3.385 1
1 28 . 20 1 1 A 2 2 VAL CA C 2 65.162 66.602 -1.440 1
1 29 . 20 1 1 A 2 2 VAL CB C 2 31.895 31.619 0.276 1
1 32 . 20 1 1 A 2 2 VAL N N 2 121.849 117.130 4.719 1
1 33 . 20 1 1 A 3 3 ALA H H 3 8.256 8.480 -0.224 1
1 34 . 20 1 1 A 3 3 ALA HA H 3 4.173 4.088 0.085 1
1 38 . 20 1 1 A 3 3 ALA C C 3 179.402 179.615 -0.213 1
1 39 . 20 1 1 A 3 3 ALA CA C 3 54.725 54.873 -0.148 1
1 40 . 20 1 1 A 3 3 ALA CB C 3 17.784 18.181 -0.397 1
1 41 . 20 1 1 A 3 3 ALA N N 3 124.615 121.572 3.043 1
1 42 . 20 1 1 A 4 4 TYR H H 4 7.717 8.079 -0.362 1
1 43 . 20 1 1 A 4 4 TYR HA H 4 4.465 4.337 0.128 1
1 48 . 20 1 1 A 4 4 TYR C C 4 177.710 176.758 0.952 1
1 49 . 20 1 1 A 4 4 TYR CA C 4 58.648 60.570 -1.922 1
1 50 . 20 1 1 A 4 4 TYR CB C 4 38.838 38.759 0.079 1
1 53 . 20 1 1 A 4 4 TYR N N 4 117.777 116.755 1.022 1
1 54 . 20 1 1 A 5 5 GLY H H 5 7.942 8.014 -0.072 1
1 55 . 20 1 1 A 5 5 GLY HA2 H 5 4.373 4.195 0.178 1
1 56 . 20 1 1 A 5 5 GLY HA3 H 5 3.699 4.210 -0.511 1
1 57 . 20 1 1 A 5 5 GLY C C 5 174.273 173.626 0.647 1
1 58 . 20 1 1 A 5 5 GLY CA C 5 45.019 45.367 -0.348 1
1 59 . 20 1 1 A 5 5 GLY N N 5 105.556 104.142 1.414 1
1 60 . 20 1 1 A 6 6 ILE H H 6 7.844 8.054 -0.210 1
1 61 . 20 1 1 A 6 6 ILE HA H 6 4.135 4.688 -0.553 1
1 71 . 20 1 1 A 6 6 ILE C C 6 174.476 174.953 -0.477 1
1 72 . 20 1 1 A 6 6 ILE CA C 6 59.997 59.562 0.435 1
1 73 . 20 1 1 A 6 6 ILE CB C 6 37.498 41.961 -4.463 1
1 77 . 20 1 1 A 6 6 ILE N N 6 123.172 120.548 2.624 1
1 78 . 20 1 1 A 7 7 ALA H H 7 8.361 8.758 -0.397 1
1 79 . 20 1 1 A 7 7 ALA HA H 7 4.205 4.306 -0.101 1
1 83 . 20 1 1 A 7 7 ALA C C 7 178.710 178.058 0.652 1
1 84 . 20 1 1 A 7 7 ALA CA C 7 52.736 52.525 0.211 1
1 85 . 20 1 1 A 7 7 ALA CB C 7 19.343 19.477 -0.134 1
1 86 . 20 1 1 A 7 7 ALA N N 7 128.201 129.615 -1.414 1
1 87 . 20 1 1 A 8 8 GLN H H 8 8.929 8.849 0.080 1
1 88 . 20 1 1 A 8 8 GLN HA H 8 3.670 3.989 -0.319 1
1 95 . 20 1 1 A 8 8 GLN C C 8 177.362 178.416 -1.054 1
1 96 . 20 1 1 A 8 8 GLN CA C 8 60.337 59.075 1.262 1
1 97 . 20 1 1 A 8 8 GLN CB C 8 28.290 28.418 -0.128 1
1 100 . 20 1 1 A 8 8 GLN N N 8 121.784 121.828 -0.044 1
1 102 . 20 1 1 A 9 9 GLY H H 9 9.034 8.201 0.833 1
1 103 . 20 1 1 A 9 9 GLY HA2 H 9 3.891 3.643 0.248 1
1 104 . 20 1 1 A 9 9 GLY C C 9 177.273 176.538 0.735 1
1 105 . 20 1 1 A 9 9 GLY CA C 9 47.126 47.285 -0.159 1
1 106 . 20 1 1 A 9 9 GLY N N 9 105.262 107.203 -1.941 1
1 107 . 20 1 1 A 10 10 THR H H 10 7.254 8.067 -0.813 1
1 108 . 20 1 1 A 10 10 THR HA H 10 4.010 4.084 -0.074 1
1 113 . 20 1 1 A 10 10 THR C C 10 175.476 176.240 -0.764 1
1 114 . 20 1 1 A 10 10 THR CA C 10 65.939 65.530 0.409 1
1 115 . 20 1 1 A 10 10 THR CB C 10 68.252 68.668 -0.416 1
1 117 . 20 1 1 A 10 10 THR N N 10 118.993 117.518 1.475 1
1 118 . 20 1 1 A 11 11 ALA H H 11 9.152 7.998 1.154 1
1 119 . 20 1 1 A 11 11 ALA HA H 11 3.759 3.985 -0.226 1
1 123 . 20 1 1 A 11 11 ALA C C 11 178.878 180.060 -1.182 1
1 124 . 20 1 1 A 11 11 ALA CA C 11 55.756 55.491 0.265 1
1 125 . 20 1 1 A 11 11 ALA CB C 11 19.820 18.360 1.460 1
1 126 . 20 1 1 A 11 11 ALA N N 11 126.026 122.927 3.099 1
1 127 . 20 1 1 A 12 12 GLU H H 12 8.442 7.977 0.465 1
1 128 . 20 1 1 A 12 12 GLU HA H 12 3.748 4.102 -0.354 1
1 133 . 20 1 1 A 12 12 GLU C C 12 179.309 179.159 0.150 1
1 134 . 20 1 1 A 12 12 GLU CA C 12 59.899 58.608 1.291 1
1 135 . 20 1 1 A 12 12 GLU CB C 12 29.713 29.455 0.258 1
1 137 . 20 1 1 A 12 12 GLU N N 12 115.831 118.844 -3.013 1
1 138 . 20 1 1 A 13 13 LYS H H 13 7.253 7.683 -0.430 1
1 139 . 20 1 1 A 13 13 LYS HA H 13 4.147 4.055 0.092 1
1 145 . 20 1 1 A 13 13 LYS C C 13 178.842 178.703 0.139 1
1 146 . 20 1 1 A 13 13 LYS CA C 13 59.198 59.400 -0.202 1
1 147 . 20 1 1 A 13 13 LYS CB C 13 32.678 32.565 0.113 1
1 150 . 20 1 1 A 13 13 LYS N N 13 119.708 119.731 -0.023 1
1 151 . 20 1 1 A 14 14 VAL H H 14 8.649 8.385 0.264 1
1 152 . 20 1 1 A 14 14 VAL HA H 14 3.368 3.803 -0.435 1
1 160 . 20 1 1 A 14 14 VAL C C 14 177.806 177.759 0.047 1
1 161 . 20 1 1 A 14 14 VAL CA C 14 67.448 65.403 2.045 1
1 162 . 20 1 1 A 14 14 VAL CB C 14 31.423 31.449 -0.026 1
1 165 . 20 1 1 A 14 14 VAL N N 14 119.012 120.400 -1.388 1
1 166 . 20 1 1 A 15 15 VAL H H 15 8.172 8.116 0.056 1
1 167 . 20 1 1 A 15 15 VAL HA H 15 3.418 3.544 -0.126 1
1 175 . 20 1 1 A 15 15 VAL C C 15 177.325 177.969 -0.644 1
1 176 . 20 1 1 A 15 15 VAL CA C 15 67.632 66.741 0.891 1
1 177 . 20 1 1 A 15 15 VAL CB C 15 31.168 31.540 -0.372 1
1 180 . 20 1 1 A 15 15 VAL N N 15 117.226 122.090 -4.864 1
1 181 . 20 1 1 A 16 16 SER H H 16 7.804 7.850 -0.046 1
1 182 . 20 1 1 A 16 16 SER HA H 16 4.232 4.170 0.062 1
1 185 . 20 1 1 A 16 16 SER C C 16 177.563 176.223 1.340 1
1 186 . 20 1 1 A 16 16 SER CA C 16 61.988 62.506 -0.518 1
1 187 . 20 1 1 A 16 16 SER CB C 16 62.781 62.796 -0.015 1
1 188 . 20 1 1 A 16 16 SER N N 16 115.358 115.856 -0.498 1
1 189 . 20 1 1 A 17 17 LEU H H 17 8.089 7.868 0.221 1
1 190 . 20 1 1 A 17 17 LEU HA H 17 4.234 4.104 0.130 1
1 200 . 20 1 1 A 17 17 LEU C C 17 179.382 179.662 -0.280 1
1 201 . 20 1 1 A 17 17 LEU CA C 17 57.908 57.719 0.189 1
1 202 . 20 1 1 A 17 17 LEU CB C 17 41.459 41.535 -0.076 1
1 206 . 20 1 1 A 17 17 LEU N N 17 121.995 121.591 0.404 1
1 207 . 20 1 1 A 18 18 ILE H H 18 8.690 8.225 0.465 1
1 208 . 20 1 1 A 18 18 ILE HA H 18 3.799 3.536 0.263 1
1 218 . 20 1 1 A 18 18 ILE C C 18 181.545 177.866 3.679 1
1 219 . 20 1 1 A 18 18 ILE CA C 18 65.849 65.716 0.133 1
1 220 . 20 1 1 A 18 18 ILE CB C 18 37.844 38.017 -0.173 1
1 224 . 20 1 1 A 18 18 ILE N N 18 121.273 120.606 0.667 1
1 225 . 20 1 1 A 19 19 ASN H H 19 8.663 7.978 0.685 1
1 226 . 20 1 1 A 19 19 ASN HA H 19 4.548 4.517 0.031 1
1 231 . 20 1 1 A 19 19 ASN C C 19 176.165 177.096 -0.931 1
1 232 . 20 1 1 A 19 19 ASN CA C 19 55.365 56.123 -0.758 1
1 233 . 20 1 1 A 19 19 ASN CB C 19 38.196 39.126 -0.930 1
1 235 . 20 1 1 A 19 19 ASN N N 19 120.662 118.859 1.803 1
1 237 . 20 1 1 A 20 20 ALA H H 20 7.564 7.533 0.031 1
1 238 . 20 1 1 A 20 20 ALA HA H 20 4.411 4.255 0.156 1
1 242 . 20 1 1 A 20 20 ALA C C 20 175.860 177.910 -2.050 1
1 243 . 20 1 1 A 20 20 ALA CA C 20 52.478 52.388 0.090 1
1 244 . 20 1 1 A 20 20 ALA CB C 20 18.668 19.644 -0.976 1
1 245 . 20 1 1 A 20 20 ALA N N 20 120.105 118.839 1.266 1
1 246 . 20 1 1 A 21 21 GLY H H 21 7.959 8.289 -0.330 1
1 247 . 20 1 1 A 21 21 GLY HA2 H 21 4.310 3.934 0.376 1
1 248 . 20 1 1 A 21 21 GLY HA3 H 21 3.804 3.939 -0.135 1
1 249 . 20 1 1 A 21 21 GLY C C 21 175.014 174.446 0.568 1
1 250 . 20 1 1 A 21 21 GLY CA C 21 45.286 45.658 -0.372 1
1 251 . 20 1 1 A 21 21 GLY N N 21 105.589 107.373 -1.784 1
1 252 . 20 1 1 A 22 22 LEU H H 22 7.529 7.919 -0.390 1
1 253 . 20 1 1 A 22 22 LEU HA H 22 4.462 4.511 -0.049 1
1 263 . 20 1 1 A 22 22 LEU C C 22 177.271 177.059 0.212 1
1 264 . 20 1 1 A 22 22 LEU CA C 22 56.388 54.737 1.651 1
1 265 . 20 1 1 A 22 22 LEU CB C 22 42.442 42.608 -0.166 1
1 269 . 20 1 1 A 22 22 LEU N N 22 121.608 122.661 -1.053 1
1 270 . 20 1 1 A 23 23 THR H H 23 7.976 8.572 -0.596 1
1 271 . 20 1 1 A 23 23 THR HA H 23 4.335 4.670 -0.335 1
1 276 . 20 1 1 A 23 23 THR C C 23 175.978 176.179 -0.201 1
1 277 . 20 1 1 A 23 23 THR CA C 23 60.185 61.120 -0.935 1
1 278 . 20 1 1 A 23 23 THR CB C 23 71.142 70.286 0.856 1
1 280 . 20 1 1 A 23 23 THR N N 23 108.756 114.646 -5.890 1
1 281 . 20 1 1 A 24 24 VAL H H 24 8.201 8.773 -0.572 1
1 282 . 20 1 1 A 24 24 VAL HA H 24 3.337 3.581 -0.244 1
1 290 . 20 1 1 A 24 24 VAL C C 24 176.772 178.149 -1.377 1
1 291 . 20 1 1 A 24 24 VAL CA C 24 66.172 66.285 -0.113 1
1 292 . 20 1 1 A 24 24 VAL CB C 24 30.752 31.859 -1.107 1
1 295 . 20 1 1 A 24 24 VAL N N 24 119.897 122.976 -3.079 1
1 296 . 20 1 1 A 25 25 GLY H H 25 8.328 8.234 0.094 1
1 297 . 20 1 1 A 25 25 GLY HA2 H 25 3.830 3.779 0.051 1
1 298 . 20 1 1 A 25 25 GLY HA3 H 25 3.722 3.796 -0.074 1
1 299 . 20 1 1 A 25 25 GLY C C 25 177.352 175.972 1.380 1
1 300 . 20 1 1 A 25 25 GLY CA C 25 46.824 47.520 -0.696 1
1 301 . 20 1 1 A 25 25 GLY N N 25 106.836 108.563 -1.727 1
1 302 . 20 1 1 A 26 26 SER H H 26 7.626 8.179 -0.553 1
1 303 . 20 1 1 A 26 26 SER HA H 26 4.286 4.164 0.122 1
1 306 . 20 1 1 A 26 26 SER C C 26 176.160 177.240 -1.080 1
1 307 . 20 1 1 A 26 26 SER CA C 26 61.829 60.924 0.905 1
1 308 . 20 1 1 A 26 26 SER CB C 26 63.022 63.017 0.005 1
1 309 . 20 1 1 A 26 26 SER N N 26 118.367 116.597 1.770 1
1 310 . 20 1 1 A 27 27 ILE H H 27 8.072 7.521 0.551 1
1 311 . 20 1 1 A 27 27 ILE HA H 27 3.494 3.507 -0.013 1
1 321 . 20 1 1 A 27 27 ILE C C 27 177.364 178.110 -0.746 1
1 322 . 20 1 1 A 27 27 ILE CA C 27 66.333 64.399 1.934 1
1 323 . 20 1 1 A 27 27 ILE CB C 27 38.065 37.238 0.827 1
1 327 . 20 1 1 A 27 27 ILE N N 27 122.663 121.966 0.697 1
1 328 . 20 1 1 A 28 28 ILE H H 28 8.317 8.154 0.163 1
1 329 . 20 1 1 A 28 28 ILE HA H 28 3.790 3.502 0.288 1
1 339 . 20 1 1 A 28 28 ILE C C 28 179.278 177.847 1.431 1
1 340 . 20 1 1 A 28 28 ILE CA C 28 65.107 65.300 -0.193 1
1 341 . 20 1 1 A 28 28 ILE CB C 28 38.185 37.807 0.378 1
1 345 . 20 1 1 A 28 28 ILE N N 28 119.722 121.547 -1.825 1
1 346 . 20 1 1 A 29 29 SER H H 29 7.703 7.831 -0.128 1
1 347 . 20 1 1 A 29 29 SER HA H 29 4.185 4.085 0.100 1
1 349 . 20 1 1 A 29 29 SER C C 29 176.198 176.407 -0.209 1
1 350 . 20 1 1 A 29 29 SER CA C 29 61.588 62.490 -0.902 1
1 351 . 20 1 1 A 29 29 SER CB C 29 63.021 62.742 0.279 1
1 352 . 20 1 1 A 29 29 SER N N 29 114.967 115.756 -0.789 1
1 353 . 20 1 1 A 30 30 ILE H H 30 7.798 7.727 0.071 1
1 354 . 20 1 1 A 30 30 ILE HA H 30 3.884 3.674 0.210 1
1 364 . 20 1 1 A 30 30 ILE C C 30 177.721 177.960 -0.239 1
1 365 . 20 1 1 A 30 30 ILE CA C 30 64.231 65.095 -0.864 1
1 366 . 20 1 1 A 30 30 ILE CB C 30 39.382 37.762 1.620 1
1 370 . 20 1 1 A 30 30 ILE N N 30 120.517 121.501 -0.984 1
1 371 . 20 1 1 A 31 31 LEU H H 31 8.279 7.423 0.856 1
1 372 . 20 1 1 A 31 31 LEU HA H 31 4.362 3.988 0.374 1
1 382 . 20 1 1 A 31 31 LEU C C 31 178.475 177.479 0.996 1
1 383 . 20 1 1 A 31 31 LEU CA C 31 55.587 57.176 -1.589 1
1 384 . 20 1 1 A 31 31 LEU CB C 31 39.699 42.213 -2.514 1
1 388 . 20 1 1 A 31 31 LEU N N 31 117.941 119.714 -1.773 1
1 389 . 20 1 1 A 32 32 GLY H H 32 8.219 8.515 -0.296 1
1 390 . 20 1 1 A 32 32 GLY HA2 H 32 4.123 3.871 0.252 1
1 391 . 20 1 1 A 32 32 GLY HA3 H 32 3.878 3.875 0.003 1
1 392 . 20 1 1 A 32 32 GLY C C 32 175.512 175.068 0.444 1
1 393 . 20 1 1 A 32 32 GLY CA C 32 45.604 46.629 -1.025 1
1 394 . 20 1 1 A 32 32 GLY N N 32 107.591 107.422 0.169 1
1 395 . 20 1 1 A 33 33 GLY H H 33 8.667 7.217 1.450 1
1 396 . 20 1 1 A 33 33 GLY HA2 H 33 4.062 4.179 -0.117 1
1 397 . 20 1 1 A 33 33 GLY HA3 H 33 3.879 4.179 -0.300 1
1 398 . 20 1 1 A 33 33 GLY C C 33 175.510 173.832 1.678 1
1 399 . 20 1 1 A 33 33 GLY CA C 33 46.603 45.538 1.065 1
1 400 . 20 1 1 A 33 33 GLY N N 33 109.700 105.801 3.899 1
1 401 . 20 1 1 A 34 34 VAL H H 34 8.049 8.145 -0.096 1
1 402 . 20 1 1 A 34 34 VAL HA H 34 4.309 3.756 0.553 1
1 410 . 20 1 1 A 34 34 VAL C C 34 176.726 176.268 0.458 1
1 411 . 20 1 1 A 34 34 VAL CA C 34 62.780 62.937 -0.157 1
1 412 . 20 1 1 A 34 34 VAL CB C 34 32.022 30.099 1.923 1
1 415 . 20 1 1 A 34 34 VAL N N 34 117.737 116.138 1.599 1
1 416 . 20 1 1 A 35 35 THR H H 35 8.141 8.016 0.125 1
1 417 . 20 1 1 A 35 35 THR HA H 35 4.239 4.328 -0.089 1
1 422 . 20 1 1 A 35 35 THR C C 35 174.905 176.100 -1.195 1
1 423 . 20 1 1 A 35 35 THR CA C 35 62.571 62.392 0.179 1
1 424 . 20 1 1 A 35 35 THR CB C 35 69.247 68.308 0.939 1
1 426 . 20 1 1 A 35 35 THR N N 35 111.884 113.263 -1.379 1
1 427 . 20 1 1 A 36 36 VAL H H 36 7.560 7.549 0.011 1
1 428 . 20 1 1 A 36 36 VAL HA H 36 3.940 3.668 0.272 1
1 436 . 20 1 1 A 36 36 VAL C C 36 177.003 178.836 -1.833 1
1 437 . 20 1 1 A 36 36 VAL CA C 36 64.440 66.199 -1.759 1
1 438 . 20 1 1 A 36 36 VAL CB C 36 31.926 31.231 0.695 1
1 441 . 20 1 1 A 36 36 VAL N N 36 120.063 121.663 -1.600 1
1 442 . 20 1 1 A 37 37 GLY H H 37 8.427 8.195 0.232 1
1 443 . 20 1 1 A 37 37 GLY HA2 H 37 4.143 3.748 0.395 1
1 444 . 20 1 1 A 37 37 GLY HA3 H 37 4.077 3.750 0.327 1
1 445 . 20 1 1 A 37 37 GLY C C 37 176.084 175.599 0.485 1
1 446 . 20 1 1 A 37 37 GLY CA C 37 45.593 47.027 -1.434 1
1 447 . 20 1 1 A 37 37 GLY N N 37 110.570 108.656 1.914 1
1 448 . 20 1 1 A 38 38 LEU H H 38 8.157 8.059 0.098 1
1 449 . 20 1 1 A 38 38 LEU HA H 38 4.094 4.065 0.029 1
1 458 . 20 1 1 A 38 38 LEU C C 38 177.948 178.965 -1.017 1
1 459 . 20 1 1 A 38 38 LEU CA C 38 56.472 57.188 -0.716 1
1 460 . 20 1 1 A 38 38 LEU CB C 38 42.644 41.325 1.319 1
1 464 . 20 1 1 A 38 38 LEU N N 38 121.095 123.100 -2.005 1
1 465 . 20 1 1 A 39 39 SER H H 39 8.417 7.582 0.835 1
1 466 . 20 1 1 A 39 39 SER HA H 39 3.921 4.165 -0.244 1
1 469 . 20 1 1 A 39 39 SER C C 39 176.742 177.119 -0.377 1
1 470 . 20 1 1 A 39 39 SER CA C 39 62.250 62.822 -0.572 1
1 471 . 20 1 1 A 39 39 SER CB C 39 62.228 62.455 -0.227 1
1 472 . 20 1 1 A 39 39 SER N N 39 113.122 115.140 -2.018 1
1 473 . 20 1 1 A 40 40 GLY H H 40 8.169 8.279 -0.110 1
1 474 . 20 1 1 A 40 40 GLY HA2 H 40 4.108 3.976 0.132 1
1 475 . 20 1 1 A 40 40 GLY HA3 H 40 3.990 3.990 0.000 1
1 476 . 20 1 1 A 40 40 GLY C C 40 175.225 175.591 -0.366 1
1 477 . 20 1 1 A 40 40 GLY CA C 40 46.354 46.568 -0.214 1
1 478 . 20 1 1 A 40 40 GLY N N 40 107.856 109.814 -1.958 1
1 479 . 20 1 1 A 41 41 VAL H H 41 7.321 7.739 -0.418 1
1 480 . 20 1 1 A 41 41 VAL HA H 41 4.482 3.680 0.802 1
1 488 . 20 1 1 A 41 41 VAL C C 41 176.112 177.639 -1.527 1
1 489 . 20 1 1 A 41 41 VAL CA C 41 61.490 64.808 -3.318 1
1 490 . 20 1 1 A 41 41 VAL CB C 41 33.211 31.700 1.511 1
1 493 . 20 1 1 A 41 41 VAL N N 41 114.922 120.689 -5.767 1
1 494 . 20 1 1 A 42 42 PHE H H 42 7.832 8.583 -0.751 1
1 495 . 20 1 1 A 42 42 PHE HA H 42 3.890 3.999 -0.109 1
1 501 . 20 1 1 A 42 42 PHE C C 42 176.656 177.242 -0.586 1
1 502 . 20 1 1 A 42 42 PHE CA C 42 62.384 61.778 0.606 1
1 503 . 20 1 1 A 42 42 PHE CB C 42 39.677 38.872 0.805 1
1 507 . 20 1 1 A 42 42 PHE N N 42 122.726 121.078 1.648 1
1 508 . 20 1 1 A 43 43 THR H H 43 8.606 8.044 0.562 1
1 509 . 20 1 1 A 43 43 THR HA H 43 3.771 3.883 -0.112 1
1 514 . 20 1 1 A 43 43 THR C C 43 176.755 177.185 -0.430 1
1 515 . 20 1 1 A 43 43 THR CA C 43 66.787 65.630 1.157 1
1 516 . 20 1 1 A 43 43 THR CB C 43 68.302 68.886 -0.584 1
1 518 . 20 1 1 A 43 43 THR N N 43 113.613 113.613 0.000 1
1 519 . 20 1 1 A 44 44 ALA H H 44 7.860 7.792 0.068 1
1 520 . 20 1 1 A 44 44 ALA HA H 44 4.203 4.058 0.145 1
1 524 . 20 1 1 A 44 44 ALA C C 44 181.044 180.254 0.790 1
1 525 . 20 1 1 A 44 44 ALA CA C 44 54.896 54.980 -0.084 1
1 526 . 20 1 1 A 44 44 ALA CB C 44 17.985 18.304 -0.319 1
1 527 . 20 1 1 A 44 44 ALA N N 44 125.406 123.607 1.799 1
1 528 . 20 1 1 A 45 45 VAL H H 45 8.391 7.537 0.854 1
1 529 . 20 1 1 A 45 45 VAL HA H 45 3.565 3.510 0.055 1
1 537 . 20 1 1 A 45 45 VAL C C 45 177.079 177.635 -0.556 1
1 538 . 20 1 1 A 45 45 VAL CA C 45 66.523 66.407 0.116 1
1 539 . 20 1 1 A 45 45 VAL CB C 45 31.323 31.448 -0.125 1
1 542 . 20 1 1 A 45 45 VAL N N 45 120.467 117.824 2.643 1
1 543 . 20 1 1 A 46 46 LYS H H 46 8.270 7.965 0.305 1
1 544 . 20 1 1 A 46 46 LYS HA H 46 3.699 3.784 -0.085 1
1 550 . 20 1 1 A 46 46 LYS C C 46 179.171 178.544 0.627 1
1 551 . 20 1 1 A 46 46 LYS CA C 46 60.606 59.182 1.424 1
1 552 . 20 1 1 A 46 46 LYS CB C 46 32.057 32.161 -0.104 1
1 556 . 20 1 1 A 46 46 LYS N N 46 120.461 120.250 0.211 1
1 557 . 20 1 1 A 47 47 ALA H H 47 7.854 7.966 -0.112 1
1 558 . 20 1 1 A 47 47 ALA HA H 47 4.192 4.059 0.133 1
1 562 . 20 1 1 A 47 47 ALA C C 47 179.565 179.988 -0.423 1
1 563 . 20 1 1 A 47 47 ALA CA C 47 54.782 54.883 -0.101 1
1 564 . 20 1 1 A 47 47 ALA CB C 47 18.004 18.256 -0.252 1
1 565 . 20 1 1 A 47 47 ALA N N 47 120.799 121.161 -0.362 1
1 566 . 20 1 1 A 48 48 ALA H H 48 7.931 7.760 0.171 1
1 567 . 20 1 1 A 48 48 ALA HA H 48 4.232 4.107 0.125 1
1 571 . 20 1 1 A 48 48 ALA C C 48 180.197 179.697 0.500 1
1 572 . 20 1 1 A 48 48 ALA CA C 48 55.028 54.766 0.262 1
1 573 . 20 1 1 A 48 48 ALA CB C 48 17.968 18.502 -0.534 1
1 574 . 20 1 1 A 48 48 ALA N N 48 120.585 120.384 0.201 1
1 575 . 20 1 1 A 49 49 ILE H H 49 8.270 7.712 0.558 1
1 576 . 20 1 1 A 49 49 ILE HA H 49 3.190 3.488 -0.298 1
1 586 . 20 1 1 A 49 49 ILE C C 49 177.762 177.961 -0.199 1
1 587 . 20 1 1 A 49 49 ILE CA C 49 66.396 65.495 0.901 1
1 588 . 20 1 1 A 49 49 ILE CB C 49 38.698 37.639 1.059 1
1 592 . 20 1 1 A 49 49 ILE N N 49 118.535 119.625 -1.090 1
1 593 . 20 1 1 A 50 50 ALA H H 50 7.198 8.369 -1.171 1
1 594 . 20 1 1 A 50 50 ALA HA H 50 4.154 4.009 0.145 1
1 598 . 20 1 1 A 50 50 ALA C C 50 179.323 180.063 -0.740 1
1 599 . 20 1 1 A 50 50 ALA CA C 50 54.684 54.709 -0.025 1
1 600 . 20 1 1 A 50 50 ALA CB C 50 18.877 18.166 0.711 1
1 601 . 20 1 1 A 50 50 ALA N N 50 118.853 121.526 -2.673 1
1 602 . 20 1 1 A 51 51 LYS H H 51 8.047 7.315 0.732 1
1 603 . 20 1 1 A 51 51 LYS HA H 51 4.372 4.099 0.273 1
1 609 . 20 1 1 A 51 51 LYS C C 51 177.694 178.380 -0.686 1
1 610 . 20 1 1 A 51 51 LYS CA C 51 57.678 59.101 -1.423 1
1 611 . 20 1 1 A 51 51 LYS CB C 51 34.279 32.763 1.516 1
1 615 . 20 1 1 A 51 51 LYS N N 51 114.606 117.663 -3.057 1
1 616 . 20 1 1 A 52 52 GLN H H 52 8.707 8.585 0.122 1
1 617 . 20 1 1 A 52 52 GLN HA H 52 4.592 4.441 0.151 1
1 624 . 20 1 1 A 52 52 GLN C C 52 176.792 175.955 0.837 1
1 625 . 20 1 1 A 52 52 GLN CA C 52 56.454 57.075 -0.621 1
1 626 . 20 1 1 A 52 52 GLN CB C 52 31.792 30.223 1.569 1
1 629 . 20 1 1 A 52 52 GLN N N 52 115.942 115.391 0.551 1
1 631 . 20 1 1 A 53 53 GLY H H 53 8.045 7.321 0.724 1
1 632 . 20 1 1 A 53 53 GLY HA2 H 53 4.568 4.063 0.505 1
1 633 . 20 1 1 A 53 53 GLY HA3 H 53 4.066 4.065 0.001 1
1 634 . 20 1 1 A 53 53 GLY C C 53 173.741 174.632 -0.891 1
1 635 . 20 1 1 A 53 53 GLY CA C 53 44.553 45.837 -1.284 1
1 636 . 20 1 1 A 53 53 GLY N N 53 110.313 103.267 7.046 1
1 637 . 20 1 1 A 54 54 ILE H H 54 8.281 8.678 -0.397 1
1 638 . 20 1 1 A 54 54 ILE HA H 54 3.583 3.734 -0.151 1
1 648 . 20 1 1 A 54 54 ILE C C 54 177.313 177.963 -0.650 1
1 649 . 20 1 1 A 54 54 ILE CA C 54 65.253 64.220 1.033 1
1 650 . 20 1 1 A 54 54 ILE CB C 54 38.489 37.651 0.838 1
1 654 . 20 1 1 A 54 54 ILE N N 54 117.579 119.490 -1.911 1
1 655 . 20 1 1 A 55 55 LYS H H 55 8.334 8.268 0.066 1
1 656 . 20 1 1 A 55 55 LYS HA H 55 3.955 4.057 -0.102 1
1 663 . 20 1 1 A 55 55 LYS C C 55 180.026 178.774 1.252 1
1 664 . 20 1 1 A 55 55 LYS CA C 55 60.343 59.200 1.143 1
1 665 . 20 1 1 A 55 55 LYS CB C 55 31.693 32.345 -0.652 1
1 669 . 20 1 1 A 55 55 LYS N N 55 119.039 123.058 -4.019 1
1 670 . 20 1 1 A 56 56 LYS H H 56 7.987 7.820 0.167 1
1 671 . 20 1 1 A 56 56 LYS HA H 56 4.130 4.123 0.007 1
1 677 . 20 1 1 A 56 56 LYS C C 56 178.612 178.816 -0.204 1
1 678 . 20 1 1 A 56 56 LYS CA C 56 57.715 58.400 -0.685 1
1 679 . 20 1 1 A 56 56 LYS CB C 56 31.714 32.004 -0.290 1
1 683 . 20 1 1 A 56 56 LYS N N 56 119.113 119.628 -0.515 1
1 684 . 20 1 1 A 57 57 ALA H H 57 7.735 7.788 -0.053 1
1 685 . 20 1 1 A 57 57 ALA HA H 57 3.911 3.962 -0.051 1
1 689 . 20 1 1 A 57 57 ALA C C 57 178.713 180.316 -1.603 1
1 690 . 20 1 1 A 57 57 ALA CA C 57 55.568 55.129 0.439 1
1 691 . 20 1 1 A 57 57 ALA CB C 57 19.922 18.052 1.870 1
1 692 . 20 1 1 A 57 57 ALA N N 57 122.357 121.522 0.835 1
1 693 . 20 1 1 A 58 58 ILE H H 58 8.257 7.557 0.700 1
1 694 . 20 1 1 A 58 58 ILE HA H 58 3.452 3.645 -0.193 1
1 704 . 20 1 1 A 58 58 ILE C C 58 177.688 177.910 -0.222 1
1 705 . 20 1 1 A 58 58 ILE CA C 58 66.157 65.336 0.821 1
1 706 . 20 1 1 A 58 58 ILE CB C 58 38.306 37.978 0.328 1
1 710 . 20 1 1 A 58 58 ILE N N 58 117.279 118.858 -1.579 1
1 711 . 20 1 1 A 59 59 GLN H H 59 7.752 8.254 -0.502 1
1 712 . 20 1 1 A 59 59 GLN HA H 59 3.916 4.171 -0.255 1
1 719 . 20 1 1 A 59 59 GLN C C 59 178.976 178.801 0.175 1
1 720 . 20 1 1 A 59 59 GLN CA C 59 59.112 58.642 0.470 1
1 721 . 20 1 1 A 59 59 GLN CB C 59 28.189 28.148 0.041 1
1 724 . 20 1 1 A 59 59 GLN N N 59 117.533 118.736 -1.203 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 58 1.162 1
2 1 1 1 "RMS(OBS, PRED)" CA 58 0.931 1
3 1 1 1 "RMS(OBS, PRED)" CB 49 0.860 1
4 1 1 1 "RMS(OBS, PRED)" H 58 0.508 1
5 1 1 1 "RMS(OBS, PRED)" HA 66 0.219 1
6 1 1 1 "RMS(OBS, PRED)" N 58 2.453 1
7 1 2 1 "RMS(OBS, PRED)" C 58 1.113 1
8 1 2 1 "RMS(OBS, PRED)" CA 58 0.965 1
9 1 2 1 "RMS(OBS, PRED)" CB 49 1.157 1
10 1 2 1 "RMS(OBS, PRED)" H 58 0.465 1
11 1 2 1 "RMS(OBS, PRED)" HA 66 0.238 1
12 1 2 1 "RMS(OBS, PRED)" N 58 2.398 1
13 1 3 1 "RMS(OBS, PRED)" C 58 1.118 1
14 1 3 1 "RMS(OBS, PRED)" CA 58 0.901 1
15 1 3 1 "RMS(OBS, PRED)" CB 49 1.140 1
16 1 3 1 "RMS(OBS, PRED)" H 58 0.473 1
17 1 3 1 "RMS(OBS, PRED)" HA 66 0.239 1
18 1 3 1 "RMS(OBS, PRED)" N 58 2.434 1
19 1 4 1 "RMS(OBS, PRED)" C 58 1.106 1
20 1 4 1 "RMS(OBS, PRED)" CA 58 1.023 1
21 1 4 1 "RMS(OBS, PRED)" CB 49 0.832 1
22 1 4 1 "RMS(OBS, PRED)" H 58 0.478 1
23 1 4 1 "RMS(OBS, PRED)" HA 66 0.237 1
24 1 4 1 "RMS(OBS, PRED)" N 58 2.442 1
25 1 5 1 "RMS(OBS, PRED)" C 58 1.150 1
26 1 5 1 "RMS(OBS, PRED)" CA 58 1.122 1
27 1 5 1 "RMS(OBS, PRED)" CB 49 0.901 1
28 1 5 1 "RMS(OBS, PRED)" H 58 0.533 1
29 1 5 1 "RMS(OBS, PRED)" HA 66 0.223 1
30 1 5 1 "RMS(OBS, PRED)" N 58 2.788 1
31 1 6 1 "RMS(OBS, PRED)" C 58 1.052 1
32 1 6 1 "RMS(OBS, PRED)" CA 58 0.995 1
33 1 6 1 "RMS(OBS, PRED)" CB 49 1.066 1
34 1 6 1 "RMS(OBS, PRED)" H 58 0.477 1
35 1 6 1 "RMS(OBS, PRED)" HA 66 0.234 1
36 1 6 1 "RMS(OBS, PRED)" N 58 2.202 1
37 1 7 1 "RMS(OBS, PRED)" C 58 1.158 1
38 1 7 1 "RMS(OBS, PRED)" CA 58 1.041 1
39 1 7 1 "RMS(OBS, PRED)" CB 49 0.896 1
40 1 7 1 "RMS(OBS, PRED)" H 58 0.460 1
41 1 7 1 "RMS(OBS, PRED)" HA 66 0.236 1
42 1 7 1 "RMS(OBS, PRED)" N 58 2.565 1
43 1 8 1 "RMS(OBS, PRED)" C 58 1.059 1
44 1 8 1 "RMS(OBS, PRED)" CA 58 1.078 1
45 1 8 1 "RMS(OBS, PRED)" CB 49 0.825 1
46 1 8 1 "RMS(OBS, PRED)" H 58 0.470 1
47 1 8 1 "RMS(OBS, PRED)" HA 66 0.238 1
48 1 8 1 "RMS(OBS, PRED)" N 58 2.242 1
49 1 9 1 "RMS(OBS, PRED)" C 58 1.133 1
50 1 9 1 "RMS(OBS, PRED)" CA 58 0.985 1
51 1 9 1 "RMS(OBS, PRED)" CB 49 0.913 1
52 1 9 1 "RMS(OBS, PRED)" H 58 0.477 1
53 1 9 1 "RMS(OBS, PRED)" HA 66 0.231 1
54 1 9 1 "RMS(OBS, PRED)" N 58 2.519 1
55 1 10 1 "RMS(OBS, PRED)" C 58 1.054 1
56 1 10 1 "RMS(OBS, PRED)" CA 58 1.075 1
57 1 10 1 "RMS(OBS, PRED)" CB 49 0.800 1
58 1 10 1 "RMS(OBS, PRED)" H 58 0.467 1
59 1 10 1 "RMS(OBS, PRED)" HA 66 0.247 1
60 1 10 1 "RMS(OBS, PRED)" N 58 2.332 1
61 1 11 1 "RMS(OBS, PRED)" C 58 1.120 1
62 1 11 1 "RMS(OBS, PRED)" CA 58 1.105 1
63 1 11 1 "RMS(OBS, PRED)" CB 49 1.207 1
64 1 11 1 "RMS(OBS, PRED)" H 58 0.530 1
65 1 11 1 "RMS(OBS, PRED)" HA 66 0.237 1
66 1 11 1 "RMS(OBS, PRED)" N 58 2.474 1
67 1 12 1 "RMS(OBS, PRED)" C 58 1.093 1
68 1 12 1 "RMS(OBS, PRED)" CA 58 1.109 1
69 1 12 1 "RMS(OBS, PRED)" CB 49 1.068 1
70 1 12 1 "RMS(OBS, PRED)" H 58 0.475 1
71 1 12 1 "RMS(OBS, PRED)" HA 66 0.240 1
72 1 12 1 "RMS(OBS, PRED)" N 58 2.396 1
73 1 13 1 "RMS(OBS, PRED)" C 58 1.052 1
74 1 13 1 "RMS(OBS, PRED)" CA 58 0.968 1
75 1 13 1 "RMS(OBS, PRED)" CB 49 1.105 1
76 1 13 1 "RMS(OBS, PRED)" H 58 0.453 1
77 1 13 1 "RMS(OBS, PRED)" HA 66 0.244 1
78 1 13 1 "RMS(OBS, PRED)" N 58 2.552 1
79 1 14 1 "RMS(OBS, PRED)" C 58 1.090 1
80 1 14 1 "RMS(OBS, PRED)" CA 58 1.096 1
81 1 14 1 "RMS(OBS, PRED)" CB 49 0.943 1
82 1 14 1 "RMS(OBS, PRED)" H 58 0.503 1
83 1 14 1 "RMS(OBS, PRED)" HA 66 0.226 1
84 1 14 1 "RMS(OBS, PRED)" N 58 2.552 1
85 1 15 1 "RMS(OBS, PRED)" C 58 1.143 1
86 1 15 1 "RMS(OBS, PRED)" CA 58 1.054 1
87 1 15 1 "RMS(OBS, PRED)" CB 49 0.838 1
88 1 15 1 "RMS(OBS, PRED)" H 58 0.484 1
89 1 15 1 "RMS(OBS, PRED)" HA 66 0.255 1
90 1 15 1 "RMS(OBS, PRED)" N 58 2.447 1
91 1 16 1 "RMS(OBS, PRED)" C 58 1.181 1
92 1 16 1 "RMS(OBS, PRED)" CA 58 1.058 1
93 1 16 1 "RMS(OBS, PRED)" CB 49 0.899 1
94 1 16 1 "RMS(OBS, PRED)" H 58 0.487 1
95 1 16 1 "RMS(OBS, PRED)" HA 66 0.241 1
96 1 16 1 "RMS(OBS, PRED)" N 58 2.347 1
97 1 17 1 "RMS(OBS, PRED)" C 58 1.167 1
98 1 17 1 "RMS(OBS, PRED)" CA 58 1.139 1
99 1 17 1 "RMS(OBS, PRED)" CB 49 0.924 1
100 1 17 1 "RMS(OBS, PRED)" H 58 0.469 1
101 1 17 1 "RMS(OBS, PRED)" HA 66 0.248 1
102 1 17 1 "RMS(OBS, PRED)" N 58 2.500 1
103 1 18 1 "RMS(OBS, PRED)" C 58 1.099 1
104 1 18 1 "RMS(OBS, PRED)" CA 58 0.972 1
105 1 18 1 "RMS(OBS, PRED)" CB 49 0.830 1
106 1 18 1 "RMS(OBS, PRED)" H 58 0.490 1
107 1 18 1 "RMS(OBS, PRED)" HA 66 0.230 1
108 1 18 1 "RMS(OBS, PRED)" N 58 2.502 1
109 1 19 1 "RMS(OBS, PRED)" C 58 1.193 1
110 1 19 1 "RMS(OBS, PRED)" CA 58 1.110 1
111 1 19 1 "RMS(OBS, PRED)" CB 49 1.025 1
112 1 19 1 "RMS(OBS, PRED)" H 58 0.472 1
113 1 19 1 "RMS(OBS, PRED)" HA 66 0.235 1
114 1 19 1 "RMS(OBS, PRED)" N 58 2.532 1
115 1 20 1 "RMS(OBS, PRED)" C 58 1.096 1
116 1 20 1 "RMS(OBS, PRED)" CA 58 1.030 1
117 1 20 1 "RMS(OBS, PRED)" CB 49 1.101 1
118 1 20 1 "RMS(OBS, PRED)" H 58 0.520 1
119 1 20 1 "RMS(OBS, PRED)" HA 66 0.263 1
120 1 20 1 "RMS(OBS, PRED)" N 58 2.439 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 18 . 1 1 A 2 2 VAL H H 2 8.475 8.114 0.361 2
1 19 . 1 1 A 2 2 VAL HA H 2 4.528 3.916 0.612 2
1 27 . 1 1 A 2 2 VAL C C 2 181.462 178.073 3.388 2
1 28 . 1 1 A 2 2 VAL CA C 2 65.162 66.597 -1.435 2
1 29 . 1 1 A 2 2 VAL CB C 2 31.895 31.605 0.289 2
1 32 . 1 1 A 2 2 VAL N N 2 121.849 117.187 4.662 2
1 33 . 1 1 A 3 3 ALA H H 3 8.256 8.502 -0.246 2
1 34 . 1 1 A 3 3 ALA HA H 3 4.173 4.134 0.039 2
1 38 . 1 1 A 3 3 ALA C C 3 179.402 179.544 -0.142 2
1 39 . 1 1 A 3 3 ALA CA C 3 54.725 54.944 -0.219 2
1 40 . 1 1 A 3 3 ALA CB C 3 17.784 18.150 -0.366 2
1 41 . 1 1 A 3 3 ALA N N 3 124.615 121.572 3.043 2
1 42 . 1 1 A 4 4 TYR H H 4 7.717 8.134 -0.417 2
1 43 . 1 1 A 4 4 TYR HA H 4 4.465 4.272 0.193 2
1 48 . 1 1 A 4 4 TYR C C 4 177.710 176.207 1.503 2
1 49 . 1 1 A 4 4 TYR CA C 4 58.648 61.040 -2.392 2
1 50 . 1 1 A 4 4 TYR CB C 4 38.838 39.212 -0.374 2
1 53 . 1 1 A 4 4 TYR N N 4 117.777 118.744 -0.967 2
1 54 . 1 1 A 5 5 GLY H H 5 7.942 8.006 -0.064 2
1 55 . 1 1 A 5 5 GLY HA2 H 5 4.373 4.075 0.298 2
1 56 . 1 1 A 5 5 GLY HA3 H 5 3.699 4.109 -0.410 2
1 57 . 1 1 A 5 5 GLY C C 5 174.273 174.530 -0.257 2
1 58 . 1 1 A 5 5 GLY CA C 5 45.019 45.436 -0.417 2
1 59 . 1 1 A 5 5 GLY N N 5 105.556 105.977 -0.421 2
1 60 . 1 1 A 6 6 ILE H H 6 7.844 7.787 0.057 2
1 61 . 1 1 A 6 6 ILE HA H 6 4.135 4.279 -0.144 2
1 71 . 1 1 A 6 6 ILE C C 6 174.476 176.015 -1.539 2
1 72 . 1 1 A 6 6 ILE CA C 6 59.997 60.827 -0.830 2
1 73 . 1 1 A 6 6 ILE CB C 6 37.498 39.266 -1.768 2
1 77 . 1 1 A 6 6 ILE N N 6 123.172 121.697 1.475 2
1 78 . 1 1 A 7 7 ALA H H 7 8.361 8.698 -0.337 2
1 79 . 1 1 A 7 7 ALA HA H 7 4.205 4.250 -0.045 2
1 83 . 1 1 A 7 7 ALA C C 7 178.710 178.453 0.257 2
1 84 . 1 1 A 7 7 ALA CA C 7 52.736 52.706 0.030 2
1 85 . 1 1 A 7 7 ALA CB C 7 19.343 19.386 -0.043 2
1 86 . 1 1 A 7 7 ALA N N 7 128.201 129.436 -1.236 2
1 87 . 1 1 A 8 8 GLN H H 8 8.929 8.797 0.132 2
1 88 . 1 1 A 8 8 GLN HA H 8 3.670 4.019 -0.349 2
1 95 . 1 1 A 8 8 GLN C C 8 177.362 178.474 -1.112 2
1 96 . 1 1 A 8 8 GLN CA C 8 60.337 58.633 1.704 2
1 97 . 1 1 A 8 8 GLN CB C 8 28.290 28.275 0.015 2
1 100 . 1 1 A 8 8 GLN N N 8 121.784 122.358 -0.574 2
1 102 . 1 1 A 9 9 GLY H H 9 9.034 8.280 0.754 2
1 103 . 1 1 A 9 9 GLY HA2 H 9 3.891 3.706 0.185 2
1 104 . 1 1 A 9 9 GLY C C 9 177.273 176.449 0.824 2
1 105 . 1 1 A 9 9 GLY CA C 9 47.126 47.353 -0.227 2
1 106 . 1 1 A 9 9 GLY N N 9 105.262 108.318 -3.056 2
1 107 . 1 1 A 10 10 THR H H 10 7.254 8.125 -0.871 2
1 108 . 1 1 A 10 10 THR HA H 10 4.010 4.085 -0.075 2
1 113 . 1 1 A 10 10 THR C C 10 175.476 176.114 -0.638 2
1 114 . 1 1 A 10 10 THR CA C 10 65.939 65.293 0.646 2
1 115 . 1 1 A 10 10 THR CB C 10 68.252 68.734 -0.482 2
1 117 . 1 1 A 10 10 THR N N 10 118.993 116.956 2.037 2
1 118 . 1 1 A 11 11 ALA H H 11 9.152 8.362 0.790 2
1 119 . 1 1 A 11 11 ALA HA H 11 3.759 3.986 -0.227 2
1 123 . 1 1 A 11 11 ALA C C 11 178.878 179.861 -0.983 2
1 124 . 1 1 A 11 11 ALA CA C 11 55.756 55.536 0.220 2
1 125 . 1 1 A 11 11 ALA CB C 11 19.820 18.401 1.419 2
1 126 . 1 1 A 11 11 ALA N N 11 126.026 123.140 2.886 2
1 127 . 1 1 A 12 12 GLU H H 12 8.442 7.944 0.498 2
1 128 . 1 1 A 12 12 GLU HA H 12 3.748 4.038 -0.290 2
1 133 . 1 1 A 12 12 GLU C C 12 179.309 179.069 0.240 2
1 134 . 1 1 A 12 12 GLU CA C 12 59.899 59.288 0.611 2
1 135 . 1 1 A 12 12 GLU CB C 12 29.713 29.256 0.457 2
1 137 . 1 1 A 12 12 GLU N N 12 115.831 118.383 -2.552 2
1 138 . 1 1 A 13 13 LYS H H 13 7.253 7.769 -0.516 2
1 139 . 1 1 A 13 13 LYS HA H 13 4.147 4.102 0.045 2
1 145 . 1 1 A 13 13 LYS C C 13 178.842 179.063 -0.221 2
1 146 . 1 1 A 13 13 LYS CA C 13 59.198 59.222 -0.024 2
1 147 . 1 1 A 13 13 LYS CB C 13 32.678 32.391 0.287 2
1 150 . 1 1 A 13 13 LYS N N 13 119.708 119.839 -0.131 2
1 151 . 1 1 A 14 14 VAL H H 14 8.649 8.223 0.426 2
1 152 . 1 1 A 14 14 VAL HA H 14 3.368 3.790 -0.422 2
1 160 . 1 1 A 14 14 VAL C C 14 177.806 178.234 -0.428 2
1 161 . 1 1 A 14 14 VAL CA C 14 67.448 65.887 1.561 2
1 162 . 1 1 A 14 14 VAL CB C 14 31.423 31.738 -0.315 2
1 165 . 1 1 A 14 14 VAL N N 14 119.012 119.103 -0.091 2
1 166 . 1 1 A 15 15 VAL H H 15 8.172 8.177 -0.005 2
1 167 . 1 1 A 15 15 VAL HA H 15 3.418 3.556 -0.138 2
1 175 . 1 1 A 15 15 VAL C C 15 177.325 178.323 -0.998 2
1 176 . 1 1 A 15 15 VAL CA C 15 67.632 66.724 0.908 2
1 177 . 1 1 A 15 15 VAL CB C 15 31.168 31.515 -0.347 2
1 180 . 1 1 A 15 15 VAL N N 15 117.226 121.239 -4.013 2
1 181 . 1 1 A 16 16 SER H H 16 7.804 7.968 -0.164 2
1 182 . 1 1 A 16 16 SER HA H 16 4.232 4.146 0.086 2
1 185 . 1 1 A 16 16 SER C C 16 177.563 177.006 0.557 2
1 186 . 1 1 A 16 16 SER CA C 16 61.988 61.412 0.576 2
1 187 . 1 1 A 16 16 SER CB C 16 62.781 63.029 -0.249 2
1 188 . 1 1 A 16 16 SER N N 16 115.358 115.701 -0.344 2
1 189 . 1 1 A 17 17 LEU H H 17 8.089 8.005 0.084 2
1 190 . 1 1 A 17 17 LEU HA H 17 4.234 4.105 0.129 2
1 200 . 1 1 A 17 17 LEU C C 17 179.382 179.443 -0.061 2
1 201 . 1 1 A 17 17 LEU CA C 17 57.908 57.776 0.132 2
1 202 . 1 1 A 17 17 LEU CB C 17 41.459 41.449 0.010 2
1 206 . 1 1 A 17 17 LEU N N 17 121.995 122.205 -0.210 2
1 207 . 1 1 A 18 18 ILE H H 18 8.690 8.018 0.672 2
1 208 . 1 1 A 18 18 ILE HA H 18 3.799 3.567 0.232 2
1 218 . 1 1 A 18 18 ILE C C 18 181.545 177.968 3.577 2
1 219 . 1 1 A 18 18 ILE CA C 18 65.849 65.551 0.298 2
1 220 . 1 1 A 18 18 ILE CB C 18 37.844 37.854 -0.010 2
1 224 . 1 1 A 18 18 ILE N N 18 121.273 120.631 0.642 2
1 225 . 1 1 A 19 19 ASN H H 19 8.663 8.199 0.464 2
1 226 . 1 1 A 19 19 ASN HA H 19 4.548 4.493 0.055 2
1 231 . 1 1 A 19 19 ASN C C 19 176.165 177.290 -1.125 2
1 232 . 1 1 A 19 19 ASN CA C 19 55.365 56.246 -0.881 2
1 233 . 1 1 A 19 19 ASN CB C 19 38.196 39.183 -0.987 2
1 235 . 1 1 A 19 19 ASN N N 19 120.662 119.177 1.485 2
1 237 . 1 1 A 20 20 ALA H H 20 7.564 7.358 0.206 2
1 238 . 1 1 A 20 20 ALA HA H 20 4.411 4.251 0.160 2
1 242 . 1 1 A 20 20 ALA C C 20 175.860 177.928 -2.068 2
1 243 . 1 1 A 20 20 ALA CA C 20 52.478 52.415 0.063 2
1 244 . 1 1 A 20 20 ALA CB C 20 18.668 19.607 -0.939 2
1 245 . 1 1 A 20 20 ALA N N 20 120.105 118.854 1.251 2
1 246 . 1 1 A 21 21 GLY H H 21 7.959 8.371 -0.412 2
1 247 . 1 1 A 21 21 GLY HA2 H 21 4.310 3.945 0.365 2
1 248 . 1 1 A 21 21 GLY HA3 H 21 3.804 3.952 -0.148 2
1 249 . 1 1 A 21 21 GLY C C 21 175.014 174.474 0.540 2
1 250 . 1 1 A 21 21 GLY CA C 21 45.286 45.675 -0.389 2
1 251 . 1 1 A 21 21 GLY N N 21 105.589 107.169 -1.580 2
1 252 . 1 1 A 22 22 LEU H H 22 7.529 7.737 -0.208 2
1 253 . 1 1 A 22 22 LEU HA H 22 4.462 4.462 -0.000 2
1 263 . 1 1 A 22 22 LEU C C 22 177.271 176.827 0.444 2
1 264 . 1 1 A 22 22 LEU CA C 22 56.388 54.401 1.987 2
1 265 . 1 1 A 22 22 LEU CB C 22 42.442 42.990 -0.548 2
1 269 . 1 1 A 22 22 LEU N N 22 121.608 121.646 -0.038 2
1 270 . 1 1 A 23 23 THR H H 23 7.976 8.569 -0.593 2
1 271 . 1 1 A 23 23 THR HA H 23 4.335 4.728 -0.393 2
1 276 . 1 1 A 23 23 THR C C 23 175.978 175.898 0.081 2
1 277 . 1 1 A 23 23 THR CA C 23 60.185 60.763 -0.578 2
1 278 . 1 1 A 23 23 THR CB C 23 71.142 70.984 0.158 2
1 280 . 1 1 A 23 23 THR N N 23 108.756 114.442 -5.686 2
1 281 . 1 1 A 24 24 VAL H H 24 8.201 8.812 -0.611 2
1 282 . 1 1 A 24 24 VAL HA H 24 3.337 3.611 -0.274 2
1 290 . 1 1 A 24 24 VAL C C 24 176.772 177.898 -1.126 2
1 291 . 1 1 A 24 24 VAL CA C 24 66.172 65.539 0.633 2
1 292 . 1 1 A 24 24 VAL CB C 24 30.752 31.490 -0.738 2
1 295 . 1 1 A 24 24 VAL N N 24 119.897 121.424 -1.527 2
1 296 . 1 1 A 25 25 GLY H H 25 8.328 8.261 0.067 2
1 297 . 1 1 A 25 25 GLY HA2 H 25 3.830 3.764 0.067 2
1 298 . 1 1 A 25 25 GLY HA3 H 25 3.722 3.779 -0.057 2
1 299 . 1 1 A 25 25 GLY C C 25 177.352 176.073 1.279 2
1 300 . 1 1 A 25 25 GLY CA C 25 46.824 47.410 -0.586 2
1 301 . 1 1 A 25 25 GLY N N 25 106.836 109.860 -3.024 2
1 302 . 1 1 A 26 26 SER H H 26 7.626 8.042 -0.416 2
1 303 . 1 1 A 26 26 SER HA H 26 4.286 4.155 0.131 2
1 306 . 1 1 A 26 26 SER C C 26 176.160 176.985 -0.825 2
1 307 . 1 1 A 26 26 SER CA C 26 61.829 61.500 0.329 2
1 308 . 1 1 A 26 26 SER CB C 26 63.022 62.914 0.108 2
1 309 . 1 1 A 26 26 SER N N 26 118.367 117.430 0.938 2
1 310 . 1 1 A 27 27 ILE H H 27 8.072 7.463 0.609 2
1 311 . 1 1 A 27 27 ILE HA H 27 3.494 3.509 -0.015 2
1 321 . 1 1 A 27 27 ILE C C 27 177.364 178.074 -0.710 2
1 322 . 1 1 A 27 27 ILE CA C 27 66.333 64.690 1.643 2
1 323 . 1 1 A 27 27 ILE CB C 27 38.065 37.460 0.605 2
1 327 . 1 1 A 27 27 ILE N N 27 122.663 121.601 1.062 2
1 328 . 1 1 A 28 28 ILE H H 28 8.317 7.866 0.451 2
1 329 . 1 1 A 28 28 ILE HA H 28 3.790 3.627 0.163 2
1 339 . 1 1 A 28 28 ILE C C 28 179.278 178.089 1.189 2
1 340 . 1 1 A 28 28 ILE CA C 28 65.107 65.126 -0.019 2
1 341 . 1 1 A 28 28 ILE CB C 28 38.185 37.490 0.695 2
1 345 . 1 1 A 28 28 ILE N N 28 119.722 120.618 -0.896 2
1 346 . 1 1 A 29 29 SER H H 29 7.703 7.632 0.071 2
1 347 . 1 1 A 29 29 SER HA H 29 4.185 4.119 0.066 2
1 349 . 1 1 A 29 29 SER C C 29 176.198 176.892 -0.694 2
1 350 . 1 1 A 29 29 SER CA C 29 61.588 61.739 -0.151 2
1 351 . 1 1 A 29 29 SER CB C 29 63.021 62.918 0.103 2
1 352 . 1 1 A 29 29 SER N N 29 114.967 116.010 -1.044 2
1 353 . 1 1 A 30 30 ILE H H 30 7.798 7.559 0.239 2
1 354 . 1 1 A 30 30 ILE HA H 30 3.884 3.738 0.146 2
1 364 . 1 1 A 30 30 ILE C C 30 177.721 178.233 -0.512 2
1 365 . 1 1 A 30 30 ILE CA C 30 64.231 64.549 -0.319 2
1 366 . 1 1 A 30 30 ILE CB C 30 39.382 37.462 1.921 2
1 370 . 1 1 A 30 30 ILE N N 30 120.517 121.516 -0.999 2
1 371 . 1 1 A 31 31 LEU H H 31 8.279 7.583 0.696 2
1 372 . 1 1 A 31 31 LEU HA H 31 4.362 4.059 0.303 2
1 382 . 1 1 A 31 31 LEU C C 31 178.475 177.198 1.277 2
1 383 . 1 1 A 31 31 LEU CA C 31 55.587 56.694 -1.107 2
1 384 . 1 1 A 31 31 LEU CB C 31 39.699 42.400 -2.701 2
1 388 . 1 1 A 31 31 LEU N N 31 117.941 120.204 -2.263 2
1 389 . 1 1 A 32 32 GLY H H 32 8.219 8.377 -0.158 2
1 390 . 1 1 A 32 32 GLY HA2 H 32 4.123 3.913 0.210 2
1 391 . 1 1 A 32 32 GLY HA3 H 32 3.878 3.916 -0.038 2
1 392 . 1 1 A 32 32 GLY C C 32 175.512 174.632 0.880 2
1 393 . 1 1 A 32 32 GLY CA C 32 45.604 46.222 -0.618 2
1 394 . 1 1 A 32 32 GLY N N 32 107.591 106.984 0.607 2
1 395 . 1 1 A 33 33 GLY H H 33 8.667 7.873 0.794 2
1 396 . 1 1 A 33 33 GLY HA2 H 33 4.062 4.095 -0.033 2
1 397 . 1 1 A 33 33 GLY HA3 H 33 3.879 4.098 -0.219 2
1 398 . 1 1 A 33 33 GLY C C 33 175.510 173.732 1.778 2
1 399 . 1 1 A 33 33 GLY CA C 33 46.603 45.435 1.168 2
1 400 . 1 1 A 33 33 GLY N N 33 109.700 106.974 2.726 2
1 401 . 1 1 A 34 34 VAL H H 34 8.049 8.371 -0.322 2
1 402 . 1 1 A 34 34 VAL HA H 34 4.309 3.951 0.358 2
1 410 . 1 1 A 34 34 VAL C C 34 176.726 176.432 0.294 2
1 411 . 1 1 A 34 34 VAL CA C 34 62.780 62.900 -0.120 2
1 412 . 1 1 A 34 34 VAL CB C 34 32.022 30.420 1.602 2
1 415 . 1 1 A 34 34 VAL N N 34 117.737 118.058 -0.321 2
1 416 . 1 1 A 35 35 THR H H 35 8.141 8.034 0.106 2
1 417 . 1 1 A 35 35 THR HA H 35 4.239 4.328 -0.089 2
1 422 . 1 1 A 35 35 THR C C 35 174.905 175.261 -0.356 2
1 423 . 1 1 A 35 35 THR CA C 35 62.571 63.082 -0.511 2
1 424 . 1 1 A 35 35 THR CB C 35 69.247 69.084 0.163 2
1 426 . 1 1 A 35 35 THR N N 35 111.884 114.792 -2.908 2
1 427 . 1 1 A 36 36 VAL H H 36 7.560 7.638 -0.078 2
1 428 . 1 1 A 36 36 VAL HA H 36 3.940 3.848 0.092 2
1 436 . 1 1 A 36 36 VAL C C 36 177.003 177.120 -0.117 2
1 437 . 1 1 A 36 36 VAL CA C 36 64.440 64.480 -0.040 2
1 438 . 1 1 A 36 36 VAL CB C 36 31.926 30.943 0.983 2
1 441 . 1 1 A 36 36 VAL N N 36 120.063 121.765 -1.702 2
1 442 . 1 1 A 37 37 GLY H H 37 8.427 8.301 0.126 2
1 443 . 1 1 A 37 37 GLY HA2 H 37 4.143 3.850 0.293 2
1 444 . 1 1 A 37 37 GLY HA3 H 37 4.077 3.857 0.221 2
1 445 . 1 1 A 37 37 GLY C C 37 176.084 175.643 0.440 2
1 446 . 1 1 A 37 37 GLY CA C 37 45.593 46.222 -0.629 2
1 447 . 1 1 A 37 37 GLY N N 37 110.570 110.990 -0.420 2
1 448 . 1 1 A 38 38 LEU H H 38 8.157 8.089 0.068 2
1 449 . 1 1 A 38 38 LEU HA H 38 4.094 4.062 0.032 2
1 458 . 1 1 A 38 38 LEU C C 38 177.948 179.158 -1.210 2
1 459 . 1 1 A 38 38 LEU CA C 38 56.472 57.360 -0.888 2
1 460 . 1 1 A 38 38 LEU CB C 38 42.644 41.425 1.219 2
1 464 . 1 1 A 38 38 LEU N N 38 121.095 122.550 -1.455 2
1 465 . 1 1 A 39 39 SER H H 39 8.417 8.157 0.260 2
1 466 . 1 1 A 39 39 SER HA H 39 3.921 4.232 -0.311 2
1 469 . 1 1 A 39 39 SER C C 39 176.742 176.934 -0.192 2
1 470 . 1 1 A 39 39 SER CA C 39 62.250 61.558 0.692 2
1 471 . 1 1 A 39 39 SER CB C 39 62.228 62.665 -0.437 2
1 472 . 1 1 A 39 39 SER N N 39 113.122 114.585 -1.463 2
1 473 . 1 1 A 40 40 GLY H H 40 8.169 8.133 0.036 2
1 474 . 1 1 A 40 40 GLY HA2 H 40 4.108 3.925 0.183 2
1 475 . 1 1 A 40 40 GLY HA3 H 40 3.990 3.934 0.056 2
1 476 . 1 1 A 40 40 GLY C C 40 175.225 175.407 -0.182 2
1 477 . 1 1 A 40 40 GLY CA C 40 46.354 46.736 -0.382 2
1 478 . 1 1 A 40 40 GLY N N 40 107.856 109.315 -1.459 2
1 479 . 1 1 A 41 41 VAL H H 41 7.321 7.786 -0.465 2
1 480 . 1 1 A 41 41 VAL HA H 41 4.482 3.968 0.514 2
1 488 . 1 1 A 41 41 VAL C C 41 176.112 177.617 -1.505 2
1 489 . 1 1 A 41 41 VAL CA C 41 61.490 64.057 -2.567 2
1 490 . 1 1 A 41 41 VAL CB C 41 33.211 31.917 1.294 2
1 493 . 1 1 A 41 41 VAL N N 41 114.922 119.385 -4.463 2
1 494 . 1 1 A 42 42 PHE H H 42 7.832 8.252 -0.420 2
1 495 . 1 1 A 42 42 PHE HA H 42 3.890 4.005 -0.115 2
1 501 . 1 1 A 42 42 PHE C C 42 176.656 177.273 -0.617 2
1 502 . 1 1 A 42 42 PHE CA C 42 62.384 61.814 0.570 2
1 503 . 1 1 A 42 42 PHE CB C 42 39.677 39.127 0.550 2
1 507 . 1 1 A 42 42 PHE N N 42 122.726 123.236 -0.510 2
1 508 . 1 1 A 43 43 THR H H 43 8.606 7.945 0.661 2
1 509 . 1 1 A 43 43 THR HA H 43 3.771 3.967 -0.196 2
1 514 . 1 1 A 43 43 THR C C 43 176.755 176.887 -0.132 2
1 515 . 1 1 A 43 43 THR CA C 43 66.787 66.297 0.490 2
1 516 . 1 1 A 43 43 THR CB C 43 68.302 68.642 -0.340 2
1 518 . 1 1 A 43 43 THR N N 43 113.613 114.129 -0.516 2
1 519 . 1 1 A 44 44 ALA H H 44 7.860 7.918 -0.058 2
1 520 . 1 1 A 44 44 ALA HA H 44 4.203 4.080 0.123 2
1 524 . 1 1 A 44 44 ALA C C 44 181.044 180.306 0.738 2
1 525 . 1 1 A 44 44 ALA CA C 44 54.896 55.061 -0.165 2
1 526 . 1 1 A 44 44 ALA CB C 44 17.985 18.250 -0.265 2
1 527 . 1 1 A 44 44 ALA N N 44 125.406 124.032 1.374 2
1 528 . 1 1 A 45 45 VAL H H 45 8.391 7.692 0.699 2
1 529 . 1 1 A 45 45 VAL HA H 45 3.565 3.381 0.184 2
1 537 . 1 1 A 45 45 VAL C C 45 177.079 177.618 -0.539 2
1 538 . 1 1 A 45 45 VAL CA C 45 66.523 66.677 -0.154 2
1 539 . 1 1 A 45 45 VAL CB C 45 31.323 31.322 0.001 2
1 542 . 1 1 A 45 45 VAL N N 45 120.467 118.142 2.325 2
1 543 . 1 1 A 46 46 LYS H H 46 8.270 7.950 0.320 2
1 544 . 1 1 A 46 46 LYS HA H 46 3.699 3.836 -0.137 2
1 550 . 1 1 A 46 46 LYS C C 46 179.171 178.720 0.451 2
1 551 . 1 1 A 46 46 LYS CA C 46 60.606 59.167 1.439 2
1 552 . 1 1 A 46 46 LYS CB C 46 32.057 32.339 -0.282 2
1 556 . 1 1 A 46 46 LYS N N 46 120.461 119.964 0.497 2
1 557 . 1 1 A 47 47 ALA H H 47 7.854 7.780 0.074 2
1 558 . 1 1 A 47 47 ALA HA H 47 4.192 4.064 0.128 2
1 562 . 1 1 A 47 47 ALA C C 47 179.565 179.901 -0.336 2
1 563 . 1 1 A 47 47 ALA CA C 47 54.782 54.868 -0.086 2
1 564 . 1 1 A 47 47 ALA CB C 47 18.004 18.289 -0.285 2
1 565 . 1 1 A 47 47 ALA N N 47 120.799 121.112 -0.313 2
1 566 . 1 1 A 48 48 ALA H H 48 7.931 7.692 0.239 2
1 567 . 1 1 A 48 48 ALA HA H 48 4.232 4.098 0.134 2
1 571 . 1 1 A 48 48 ALA C C 48 180.197 179.834 0.363 2
1 572 . 1 1 A 48 48 ALA CA C 48 55.028 55.052 -0.024 2
1 573 . 1 1 A 48 48 ALA CB C 48 17.968 18.346 -0.378 2
1 574 . 1 1 A 48 48 ALA N N 48 120.585 120.329 0.256 2
1 575 . 1 1 A 49 49 ILE H H 49 8.270 7.674 0.596 2
1 576 . 1 1 A 49 49 ILE HA H 49 3.190 3.508 -0.318 2
1 586 . 1 1 A 49 49 ILE C C 49 177.762 177.957 -0.195 2
1 587 . 1 1 A 49 49 ILE CA C 49 66.396 65.475 0.921 2
1 588 . 1 1 A 49 49 ILE CB C 49 38.698 37.661 1.037 2
1 592 . 1 1 A 49 49 ILE N N 49 118.535 119.526 -0.991 2
1 593 . 1 1 A 50 50 ALA H H 50 7.198 8.267 -1.069 2
1 594 . 1 1 A 50 50 ALA HA H 50 4.154 4.037 0.117 2
1 598 . 1 1 A 50 50 ALA C C 50 179.323 179.697 -0.374 2
1 599 . 1 1 A 50 50 ALA CA C 50 54.684 54.740 -0.056 2
1 600 . 1 1 A 50 50 ALA CB C 50 18.877 18.136 0.741 2
1 601 . 1 1 A 50 50 ALA N N 50 118.853 121.608 -2.755 2
1 602 . 1 1 A 51 51 LYS H H 51 8.047 7.548 0.499 2
1 603 . 1 1 A 51 51 LYS HA H 51 4.372 4.092 0.280 2
1 609 . 1 1 A 51 51 LYS C C 51 177.694 177.838 -0.144 2
1 610 . 1 1 A 51 51 LYS CA C 51 57.678 59.067 -1.389 2
1 611 . 1 1 A 51 51 LYS CB C 51 34.279 32.874 1.405 2
1 615 . 1 1 A 51 51 LYS N N 51 114.606 117.901 -3.295 2
1 616 . 1 1 A 52 52 GLN H H 52 8.707 8.434 0.273 2
1 617 . 1 1 A 52 52 GLN HA H 52 4.592 4.451 0.141 2
1 624 . 1 1 A 52 52 GLN C C 52 176.792 175.973 0.819 2
1 625 . 1 1 A 52 52 GLN CA C 52 56.454 56.849 -0.395 2
1 626 . 1 1 A 52 52 GLN CB C 52 31.792 30.935 0.857 2
1 629 . 1 1 A 52 52 GLN N N 52 115.942 115.909 0.033 2
1 631 . 1 1 A 53 53 GLY H H 53 8.045 7.300 0.745 2
1 632 . 1 1 A 53 53 GLY HA2 H 53 4.568 4.062 0.506 2
1 633 . 1 1 A 53 53 GLY HA3 H 53 4.066 4.063 0.003 2
1 634 . 1 1 A 53 53 GLY C C 53 173.741 174.614 -0.873 2
1 635 . 1 1 A 53 53 GLY CA C 53 44.553 45.814 -1.261 2
1 636 . 1 1 A 53 53 GLY N N 53 110.313 103.299 7.014 2
1 637 . 1 1 A 54 54 ILE H H 54 8.281 8.725 -0.444 2
1 638 . 1 1 A 54 54 ILE HA H 54 3.583 3.747 -0.164 2
1 648 . 1 1 A 54 54 ILE C C 54 177.313 177.889 -0.576 2
1 649 . 1 1 A 54 54 ILE CA C 54 65.253 64.297 0.956 2
1 650 . 1 1 A 54 54 ILE CB C 54 38.489 37.655 0.834 2
1 654 . 1 1 A 54 54 ILE N N 54 117.579 119.870 -2.291 2
1 655 . 1 1 A 55 55 LYS H H 55 8.334 8.272 0.062 2
1 656 . 1 1 A 55 55 LYS HA H 55 3.955 4.048 -0.093 2
1 663 . 1 1 A 55 55 LYS C C 55 180.026 178.666 1.360 2
1 664 . 1 1 A 55 55 LYS CA C 55 60.343 59.208 1.135 2
1 665 . 1 1 A 55 55 LYS CB C 55 31.693 32.304 -0.611 2
1 669 . 1 1 A 55 55 LYS N N 55 119.039 122.537 -3.498 2
1 670 . 1 1 A 56 56 LYS H H 56 7.987 7.866 0.121 2
1 671 . 1 1 A 56 56 LYS HA H 56 4.130 4.055 0.075 2
1 677 . 1 1 A 56 56 LYS C C 56 178.612 179.221 -0.609 2
1 678 . 1 1 A 56 56 LYS CA C 56 57.715 58.988 -1.273 2
1 679 . 1 1 A 56 56 LYS CB C 56 31.714 32.080 -0.366 2
1 683 . 1 1 A 56 56 LYS N N 56 119.113 119.681 -0.568 2
1 684 . 1 1 A 57 57 ALA H H 57 7.735 7.821 -0.086 2
1 685 . 1 1 A 57 57 ALA HA H 57 3.911 3.985 -0.074 2
1 689 . 1 1 A 57 57 ALA C C 57 178.713 180.231 -1.518 2
1 690 . 1 1 A 57 57 ALA CA C 57 55.568 55.014 0.554 2
1 691 . 1 1 A 57 57 ALA CB C 57 19.922 18.231 1.691 2
1 692 . 1 1 A 57 57 ALA N N 57 122.357 121.572 0.785 2
1 693 . 1 1 A 58 58 ILE H H 58 8.257 7.611 0.646 2
1 694 . 1 1 A 58 58 ILE HA H 58 3.452 3.604 -0.152 2
1 704 . 1 1 A 58 58 ILE C C 58 177.688 177.881 -0.193 2
1 705 . 1 1 A 58 58 ILE CA C 58 66.157 65.374 0.783 2
1 706 . 1 1 A 58 58 ILE CB C 58 38.306 37.916 0.390 2
1 710 . 1 1 A 58 58 ILE N N 58 117.279 119.056 -1.777 2
1 711 . 1 1 A 59 59 GLN H H 59 7.752 8.169 -0.417 2
1 712 . 1 1 A 59 59 GLN HA H 59 3.916 4.119 -0.203 2
1 719 . 1 1 A 59 59 GLN C C 59 178.976 178.610 0.366 2
1 720 . 1 1 A 59 59 GLN CA C 59 59.112 58.634 0.478 2
1 721 . 1 1 A 59 59 GLN CB C 59 28.189 28.124 0.065 2
1 724 . 1 1 A 59 59 GLN N N 59 117.533 118.967 -1.434 2
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